*HEADER    GENE REGULATION                         27-JUL-18   6E83              
*TITLE     SOLUTION STRUCTURE OF ZZZ3 ZZ DOMAIN IN COMPLEX WITH HISTONE H3 TAIL  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZZ-TYPE ZINC FINGER-CONTAINING PROTEIN 3;                  
*COMPND   3 CHAIN: B;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: HISTONE H3;                                                
*COMPND   7 CHAIN: A;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: ZZZ3;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 SYNTHETIC: YES;                                                      
*SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  11 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ZZZ3, ZZ DOMAIN, HISTONE, CHROMATIN, GENE REGULATION                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.ZHANG,T.G.KUTATELADZE                                               
*REVDAT   1   19-SEP-18 6E83    0                                                
# Restraints file 1: dist.rst
#   8 HIS  HN      21 ILE  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 295, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
#  13 CYS  HN      18 ILE  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 247, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  18 ILE  O      13 CYS  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 176, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  21 ILE  O       8 HIS  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 295,  94, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  23 GLY  HN       6 VAL  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  76, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  23 GLY  O       6 VAL  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  61, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  25 ARG  HN      62 ILE  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 909, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  26 TRP  O      39 PHE  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 552, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  27 HIS  HN      60 GLU  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 876, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  28 CYS  HN      37 LEU  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 539, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  29 GLN  HN      58 GLN  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 842, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  37 LEU  O      28 CYS  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 401, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  39 PHE  HN      26 TRP  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 383, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  40 CYS  O      44 SER  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 615, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  44 SER  HN      40 CYS  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 581, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  50 THR  HN      53 HIS  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 760, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  53 HIS  O      50 THR  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 700, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  58 GLN  O      29 GLN  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 411, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  60 GLU  O      27 HIS  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 876, 384, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  62 ILE  O      25 ARG  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 909, 336, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  65 ALA  O      12 LYS  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 967, 154, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  12 LYS  HN     65 ALA  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 967, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  12 LYS  O      65 ALA  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 956, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#   9 VAL  QG1    68 LYS  HE2     5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 118, 119, 120,
 &end
#
#  10 GLY  HA3    67 THR  HB      5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 997, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  10 GLY  HA2    67 THR  HB      6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 997, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  10 GLY  HA2    68 LYS  HG2     5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 130,1014, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  10 GLY  HA3    68 LYS  HG2     5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 131,1014, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  11 PHE  HA     66 ARG  HA      5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 971, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  11 PHE  HN     67 THR  QG2     5.56
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr2= 999,1000,1001,
 &end
#
#  12 LYS  HG2    65 ALA  HA      6.46
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 961, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,  &end
#
#  12 LYS  HN     65 ALA  QB      4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 963, 964, 965,
 &end
#
#  12 LYS  HN     66 ARG  HA      5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 971, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  13 CYS  HN     65 ALA  QB      4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 963, 964, 965,
 &end
#
#  36 SER  HB3    66 ARG  HD2     5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 979, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  36 SER  HB3    66 ARG  HB2     5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 973, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  36 SER  HB2    66 ARG  HB2     6.25
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 973, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,  &end
#
#  36 SER  HN     66 ARG  HB2     5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 973, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  37 LEU  QD1    65 ALA  HT      6.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 531, 532, 533,
 igr2= 957, 958, 959,
 &end
#
#  38 ASP  HA     65 ALA  HT      6.67
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr2= 957, 958, 959,
 &end
#
#  65 ALA  QB     11 PHE  HA      6.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     12 LYS  HA      5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     12 LYS  HB3     5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     12 LYS  HB2     5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     12 LYS  HG3     5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     12 LYS  HG2     5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     12 LYS  HE2     4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     12 LYS  HD2     4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     13 CYS  HA      6.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     14 ASP  HA      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     14 ASP  HB2     6.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     14 ASP  HB3     6.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     14 ASP  HN      6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     36 SER  HN      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     37 LEU  HA      5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     37 LEU  QD2     4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1= 963, 964, 965,
 igr2= 535, 536, 537,
 &end
#
#  65 ALA  QB     37 LEU  QD1     4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 963, 964, 965,
 igr2= 531, 532, 533,
 &end
#
#  65 ALA  QB     38 ASP  HN      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 963, 964, 965,
 &end
#
#  66 ARG  HG2    36 SER  HB2     5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 515, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  66 ARG  HG2    36 SER  HB3     5.74
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 516, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
#  67 THR  HA     10 GLY  HA3     6.07
 &rst
  ixpk= 0, nxpk= 0, iat= 995, 131, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#  67 THR  HA     10 GLY  HA2     7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 995, 130, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  67 THR  QG2    10 GLY  HA2     5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    10 GLY  HA3     5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    11 PHE  HA      6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HA      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HB3     4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HB2     4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HG3     5.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HG2     4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HE2     4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HD2     4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HN      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    19 GLU  HB2     7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    19 GLU  HB3     7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    20 PRO  HB2     7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    20 PRO  HB3     7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 999,1000,1001,
 &end
#
#  12 LYS  HG2    65 ALA  HA      6.43
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 961, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  12 LYS  HN     66 ARG  HA      4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 971, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  11 PHE  HB3    66 ARG  HA      7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 971, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  11 PHE  HA     66 ARG  HA      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 971, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  11 PHE  HN     66 ARG  HA      6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 971, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  11 PHE  HN     67 THR  QG2     5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 999,1000,1001,
 &end
#
#  10 GLY  HA3    67 THR  HB      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 997, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  10 GLY  HA2    67 THR  HB      6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 997, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  10 GLY  HA2    68 LYS  HG2     5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 130,1014, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  10 GLY  HA3    68 LYS  HG2     6.76
 &rst
  ixpk= 0, nxpk= 0, iat= 131,1014, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,  &end
#
#   9 VAL  QG1    68 LYS  HE2     5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 118, 119, 120,
 &end
#
#  36 SER  HB3    66 ARG  HD2     6.68
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 979, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,  &end
#
#  65 ALA  QB     11 PHE  HA      5.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     12 LYS  HA      5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     13 CYS  HA      6.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     14 ASP  HA      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     14 ASP  HN      5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     36 SER  HN      6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     37 LEU  HA      5.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 963, 964, 965,
 &end
#
#  65 ALA  QB     37 LEU  QD2     6.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.07, r4=10.57,
 igr1= 963, 964, 965,
 igr2= 535, 536, 537,
 &end
#
#  65 ALA  QB     37 LEU  QD1     6.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 963, 964, 965,
 igr2= 531, 532, 533,
 &end
#
#  65 ALA  QB     38 ASP  HN      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 963, 964, 965,
 &end
#
#  66 ARG  HD2    36 SER  HN      6.55
 &rst
  ixpk= 0, nxpk= 0, iat= 979, 511, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  67 THR  HA     10 GLY  HA3     7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 995, 131, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  67 THR  QG2    10 GLY  HA2     6.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    10 GLY  HA3     5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    11 PHE  HA      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HA      4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HB3     3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HB2     4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HD2     4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    12 LYS  HE2     3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    19 GLU  HB3     7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 999,1000,1001,
 &end
#
#  67 THR  QG2    20 PRO  HB2     7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 999,1000,1001,
 &end
#
#   2 PRO  HA         2 PRO  HB2        3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  18, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   2 PRO  HA         2 PRO  HD2        5.98
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  12, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#   2 PRO  HA         2 PRO  HG2        5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  15, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   2 PRO  HG2        2 PRO  HB3        2.65
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  19, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
#   2 PRO  HG2        2 PRO  HD2        3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  12, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   2 PRO  HB3        2 PRO  HD2        4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  12, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   2 PRO  HA         2 PRO  HB3        4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  19, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   2 PRO  HB2        2 PRO  HD2        4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  12, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   2 PRO  HG2        2 PRO  HB2        4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  18, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   3 LEU  QD1        3 LEU  HB3        4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=  34,  35,  36,
 &end
#
#   3 LEU  QD2        3 LEU  HB3        4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=  38,  39,  40,
 &end
#
#   3 LEU  QD1        3 LEU  HB2        4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=  34,  35,  36,
 &end
#
#   3 LEU  HG         3 LEU  HB3        4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  30, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   3 LEU  HG         3 LEU  QD2        2.06
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2=  38,  39,  40,
 &end
#
#   3 LEU  HA         3 LEU  HB2        4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  29, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   3 LEU  HG         3 LEU  HB2        2.94
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  29, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#   3 LEU  HN         3 LEU  HB2        5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  29, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   3 LEU  HA         3 LEU  HG         3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  32, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   3 LEU  QD1        3 LEU  HB2        3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=  34,  35,  36,
 &end
#
#   3 LEU  HA         3 LEU  QD2        4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=  38,  39,  40,
 &end
#
#   3 LEU  HA         3 LEU  QD1        4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=  34,  35,  36,
 &end
#
#   3 LEU  HA         3 LEU  HB3        4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  30, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   3 LEU  HN         3 LEU  HB3        6.25
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  30, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,  &end
#
#   3 LEU  QD1        3 LEU  HB3        4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=  34,  35,  36,
 &end
#
#   3 LEU  QD2        3 LEU  HB2        4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=  38,  39,  40,
 &end
#
#   3 LEU  HN         3 LEU  HG         6.54
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  32, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,  &end
#
#   3 LEU  HN         3 LEU  HA         5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  27, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   3 LEU  HN         3 LEU  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  34,  35,  36,
 &end
#
#   3 LEU  HN         3 LEU  QD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  38,  39,  40,
 &end
#
#   4 GLY  HA2        4 GLY  HN         3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  44, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   5 SER  HA         5 SER  HB2        3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  55, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   5 SER  HA         5 SER  HN         5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  51, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   5 SER  HB2        5 SER  HN         4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  51, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   6 VAL  HA         6 VAL  HN         3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  62, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   6 VAL  QG2        6 VAL  HB         3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  HA         6 VAL  QG1        3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=  68,  69,  70,
 &end
#
#   6 VAL  HA         6 VAL  QG2        3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=  72,  73,  74,
 &end
#
#   6 VAL  HA         6 VAL  HB         3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  66, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   6 VAL  QG1        6 VAL  HB         4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  HN         6 VAL  HB         3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  66, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   6 VAL  QG2        6 VAL  QG1        3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=  72,  73,  74,
 igr2=  68,  69,  70,
 &end
#
#   6 VAL  HN         6 VAL  QG1        3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=  68,  69,  70,
 &end
#
#   6 VAL  HN         6 VAL  QG2        4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=  72,  73,  74,
 &end
#
#   7 GLN  HB2        7 GLN  HG3        4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  86, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   7 GLN  HB2        7 GLN  HG2        3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  85, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   7 GLN  HB3        7 GLN  HG2        3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  85, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   7 GLN  HN         7 GLN  HA         4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  80, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   7 GLN  HA         7 GLN  HB3        4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  83, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   7 GLN  HN         7 GLN  HG3        4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  86, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   7 GLN  HN         7 GLN  HB3        3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  83, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   7 GLN  HN         7 GLN  HG2        4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  85, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   7 GLN  HA         7 GLN  HG2        4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  85, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   7 GLN  HA         7 GLN  HB2        3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  82, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   7 GLN  HA         7 GLN  HG3        4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  86, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   7 GLN  HE21       7 GLN  HG2        5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  85, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   7 GLN  HE21       7 GLN  HG3        5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  86, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#   7 GLN  HB3        7 GLN  HG3        3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  86, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   7 GLN  HN         7 GLN  HB2        4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  82, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   7 GLN  HE22       7 GLN  HG2        4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  85, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   7 GLN  HB2        7 GLN  HE21       5.86
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  90, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#   7 GLN  HB2        7 GLN  HE22       5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  91, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#   7 GLN  HB3        7 GLN  HE22       5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  91, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#   7 GLN  HE22       7 GLN  HG3        5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  86, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   7 GLN  HB3        7 GLN  HE21       5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  90, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#   8 HIS  HB3        8 HIS  HE1        5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 104, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#   8 HIS  HA         8 HIS  HB3        3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 100, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   8 HIS  HB2        8 HIS  HE1        6.51
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 104, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,  &end
#
#   8 HIS  HN         8 HIS  HB3        5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 100, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   8 HIS  HA         8 HIS  HE1        5.97
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 104, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#   8 HIS  HA         8 HIS  HB2        4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  99, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   8 HIS  HN         8 HIS  HB2        4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  99, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   8 HIS  HN         8 HIS  HD2        4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 108, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   8 HIS  HN         8 HIS  HA         5.67
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  97, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#   9 VAL  QG1        9 VAL  HA         3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 118, 119, 120,
 &end
#
#   9 VAL  QG2        9 VAL  HB         3.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  HA         9 VAL  HB         4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 116, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   9 VAL  HN         9 VAL  HA         4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 114, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   9 VAL  QG2        9 VAL  HA         3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  QG1        9 VAL  HB         3.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 118, 119, 120,
 &end
#
#   9 VAL  HN         9 VAL  HB         3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 116, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   9 VAL  QG2        9 VAL  HN         3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  QG1        9 VAL  HN         4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 118, 119, 120,
 &end
#
#  10 GLY  HA2       10 GLY  HN         5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 128, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  10 GLY  HA3       10 GLY  HN         5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 128, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  11 PHE  QD        11 PHE  HB2        5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 143, 151,
 &end
#
#  11 PHE  HA        11 PHE  HB2        5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 139, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  11 PHE  HN        11 PHE  HB3        4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 140, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  11 PHE  HN        11 PHE  HA         4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 137, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  11 PHE  QD        11 PHE  HB3        5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 143, 151,
 &end
#
#  11 PHE  HA        11 PHE  HB3        4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 140, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  11 PHE  HA        11 PHE  QD         5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 143, 151,
 &end
#
#  11 PHE  HN        11 PHE  HB2        4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 139, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  11 PHE  HN        11 PHE  QD         4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 143, 151,
 &end
#
#  11 PHE  HN        11 PHE  QE         6.42
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 145, 149,
 &end
#
#  12 LYS  HN        12 LYS  HB3        4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 160, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  12 LYS  HG2       12 LYS  HD2        4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 165, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  12 LYS  HG3       12 LYS  HD2        4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 165, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  12 LYS  HB2       12 LYS  HD2        3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 165, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  12 LYS  HB2       12 LYS  HG3        4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 163, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  12 LYS  HE2       12 LYS  HD2        3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 165, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  12 LYS  HB3       12 LYS  HE2        6.33
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 168, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,  &end
#
#  12 LYS  HG2       12 LYS  HE2        4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 168, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  12 LYS  HB3       12 LYS  HG2        4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 162, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  12 LYS  HB2       12 LYS  HE2        6.07
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 168, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#  12 LYS  HA        12 LYS  HB2        4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 159, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  12 LYS  HG3       12 LYS  HE2        4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  12 LYS  HA        12 LYS  HG3        4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 163, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  12 LYS  HB2       12 LYS  HG2        4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 162, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  12 LYS  HA        12 LYS  HD2        4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 165, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  12 LYS  HA        12 LYS  HG2        4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 162, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  12 LYS  HA        12 LYS  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  12 LYS  HB3       12 LYS  HD2        3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 165, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  12 LYS  HN        12 LYS  HB2        4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 159, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  12 LYS  HB3       12 LYS  HG3        4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 163, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  12 LYS  HA        12 LYS  HE2        6.94
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 168, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,  &end
#
#  12 LYS  HN        12 LYS  HG2        5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 162, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  12 LYS  HN        12 LYS  HA         4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 157, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  13 CYS  HA        13 CYS  HB3        4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 181, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  13 CYS  HN        13 CYS  HA         4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  13 CYS  HA        13 CYS  HB2        4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 182, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  13 CYS  HN        13 CYS  HB3        3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 181, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  13 CYS  HN        13 CYS  HB2        4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  14 ASP  HA        14 ASP  HB3        4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 192, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  14 ASP  HA        14 ASP  HB2        4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 191, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  14 ASP  HN        14 ASP  HB3        4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 192, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  14 ASP  HN        14 ASP  HB2        4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 191, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  14 ASP  HN        14 ASP  HA         5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 189, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  15 ASN  HN        15 ASN  HB2        4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  15 ASN  HB3       15 ASN  HA         4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 201, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  15 ASN  HB2       15 ASN  HA         4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 201, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  15 ASN  HN        15 ASN  HA         4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  15 ASN  HD21      15 ASN  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 201, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  15 ASN  HN        15 ASN  HD22       6.22
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 209, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,  &end
#
#  15 ASN  HN        15 ASN  HD21       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 208, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  15 ASN  HB3       15 ASN  HD22       5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 209, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  15 ASN  HD22      15 ASN  HA         6.34
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 201, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,  &end
#
#  15 ASN  HB2       15 ASN  HD22       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 209, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  15 ASN  HB2       15 ASN  HD21       5.56
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 208, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#  15 ASN  HN        15 ASN  HB3        4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 204, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  15 ASN  HB3       15 ASN  HD21       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 208, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  16 CYS  HA        16 CYS  HB3        3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  16 CYS  HA        16 CYS  HB2        4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 218, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  16 CYS  HN        16 CYS  HB3        4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  16 CYS  HA        16 CYS  HN         4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 213, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  16 CYS  HN        16 CYS  HB2        4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  17 GLY  HN        17 GLY  HA2        4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  17 GLY  HN        17 GLY  HA3        3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 226, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  18 ILE  HN        18 ILE  HA         3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 232, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  18 ILE  HG13      18 ILE  HA         3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 232, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  18 ILE  QD1       18 ILE  HB         4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 243, 244, 245,
 &end
#
#  18 ILE  QG2       18 ILE  HG12       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  QG2       18 ILE  HG13       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  HA        18 ILE  HB         3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 234, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  18 ILE  HG13      18 ILE  QD1        3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 243, 244, 245,
 &end
#
#  18 ILE  QG2       18 ILE  QD1        2.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 236, 237, 238,
 igr2= 243, 244, 245,
 &end
#
#  18 ILE  HG12      18 ILE  HB         4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 234, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  18 ILE  QG2       18 ILE  HA         4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  QG2       18 ILE  HB         3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  QD1       18 ILE  HA         3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 243, 244, 245,
 &end
#
#  18 ILE  HG13      18 ILE  HB         4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 234, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  18 ILE  HG12      18 ILE  QD1        3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 243, 244, 245,
 &end
#
#  18 ILE  HG12      18 ILE  HA         4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 232, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  18 ILE  HN        18 ILE  HG12       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 240, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  18 ILE  HN        18 ILE  HG13       4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 241, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  18 ILE  HN        18 ILE  QD1        4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 243, 244, 245,
 &end
#
#  18 ILE  HN        18 ILE  HB         3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 234, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  18 ILE  QG2       18 ILE  HN         3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 236, 237, 238,
 &end
#
#  19 GLU  HB2       19 GLU  HN         4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 249, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  19 GLU  HN        19 GLU  HA         4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 251, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  19 GLU  HB3       19 GLU  HA         4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 251, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  19 GLU  HB2       19 GLU  HA         5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  19 GLU  HB3       19 GLU  HN         4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 249, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  20 PRO  HA        20 PRO  HG2        3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 268, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  20 PRO  HA        20 PRO  HD2        5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 265, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  20 PRO  HG2       20 PRO  HD2        5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 265, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  20 PRO  HA        20 PRO  HG3        4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 269, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  20 PRO  HG3       20 PRO  HD2        3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 265, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  20 PRO  HG2       20 PRO  HD3        6.33
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,  &end
#
#  20 PRO  HG3       20 PRO  HD3        5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 266, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  20 PRO  HB3       20 PRO  HG2        4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 268, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  20 PRO  HB2       20 PRO  HG2        5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 268, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  20 PRO  HB3       20 PRO  HG3        4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 269, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  20 PRO  HB2       20 PRO  HG3        5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 269, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  20 PRO  HB2       20 PRO  HA         5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  20 PRO  HB3       20 PRO  HA         3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 274, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  20 PRO  HA        20 PRO  HD3        5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 266, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  21 ILE  QD1       21 ILE  HG12       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  QD1       21 ILE  QG2        3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 291, 292, 293,
 igr2= 284, 285, 286,
 &end
#
#  21 ILE  HA        21 ILE  QG2        4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 284, 285, 286,
 &end
#
#  21 ILE  QD1       21 ILE  HG13       3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  HA        21 ILE  HG12       4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 288, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  21 ILE  QG2       21 ILE  HG12       2.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  HG13      21 ILE  HB         4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 282, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  21 ILE  HA        21 ILE  HB         5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 282, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  21 ILE  QG2       21 ILE  HB         4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  HA        21 ILE  QD1        5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr2= 291, 292, 293,
 &end
#
#  21 ILE  HN        21 ILE  HA         5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 280, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  21 ILE  QG2       21 ILE  HG13       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  HG12      21 ILE  HB         5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 282, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  21 ILE  QD1       21 ILE  HB         4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  HN        21 ILE  QG2        5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 284, 285, 286,
 &end
#
#  21 ILE  HA        21 ILE  HG13       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 289, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  21 ILE  HN        21 ILE  HB         4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  21 ILE  HN        21 ILE  HG12       5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 288, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  21 ILE  HN        21 ILE  HG13       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 289, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  21 ILE  HN        21 ILE  QD1        5.96
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 291, 292, 293,
 &end
#
#  22 GLN  HG2       22 GLN  HB2        4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 301, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  22 GLN  HE22      22 GLN  HG2        5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 304, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  22 GLN  HG3       22 GLN  HB2        4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 301, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  22 GLN  HA        22 GLN  HG3        4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 305, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  22 GLN  HG3       22 GLN  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  22 GLN  HE22      22 GLN  HG3        4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 305, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  22 GLN  HA        22 GLN  HN         4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 297, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  22 GLN  HA        22 GLN  HB3        4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 302, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  22 GLN  HA        22 GLN  HB2        4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 301, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  22 GLN  HA        22 GLN  HG2        4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  22 GLN  HG2       22 GLN  HB3        4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 302, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  22 GLN  HB3       22 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 GLN  HG3       22 GLN  HN         5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 297, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  22 GLN  HE22      22 GLN  HB3        6.44
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 302, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,  &end
#
#  22 GLN  HE22      22 GLN  HN         6.85
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 297, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,  &end
#
#  22 GLN  HE22      22 GLN  HA         6.91
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 299, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,  &end
#
#  22 GLN  HE21      22 GLN  HG3        4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 305, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  22 GLN  HB2       22 GLN  HN         4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 297, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  22 GLN  HG2       22 GLN  HN         5.66
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 297, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  &end
#
#  22 GLN  HE21      22 GLN  HG2        5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 304, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  22 GLN  HE21      22 GLN  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 301, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  22 GLN  HE21      22 GLN  HA         6.71
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 299, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#  22 GLN  HE21      22 GLN  HN         6.68
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 297, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,  &end
#
#  22 GLN  HE21      22 GLN  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 302, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  23 GLY  HN        23 GLY  HA3        4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 317, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  23 GLY  HN        23 GLY  HA2        4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 316, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  24 VAL  HA        24 VAL  QG2        3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 331, 332, 333,
 &end
#
#  24 VAL  HB        24 VAL  QG2        4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 331, 332, 333,
 &end
#
#  24 VAL  HB        24 VAL  QG1        4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 327, 328, 329,
 &end
#
#  24 VAL  HA        24 VAL  HB         4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 325, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  24 VAL  HA        24 VAL  QG1        3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 327, 328, 329,
 &end
#
#  24 VAL  HN        24 VAL  HB         3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  24 VAL  HN        24 VAL  QG2        3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 331, 332, 333,
 &end
#
#  24 VAL  QG2       24 VAL  QG1        3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 331, 332, 333,
 igr2= 327, 328, 329,
 &end
#
#  24 VAL  HN        24 VAL  QG1        3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 327, 328, 329,
 &end
#
#  24 VAL  HN        24 VAL  HA         4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  25 ARG  HA        25 ARG  HB3        4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 342, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  25 ARG  HN        25 ARG  HA         4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 339, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  25 ARG  HN        25 ARG  HB3        3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  25 ARG  HN        25 ARG  HB2        4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  26 TRP  HB2       26 TRP  HA         5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 363, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  26 TRP  HB3       26 TRP  HA         6.17
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,  &end
#
#  26 TRP  HB2       26 TRP  HE1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 371, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  26 TRP  HN        26 TRP  HB3        3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  26 TRP  HB3       26 TRP  HE1        5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  26 TRP  HN        26 TRP  HB2        5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 365, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  26 TRP  HE1       26 TRP  HA         6.75
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 363, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,  &end
#
#  26 TRP  HN        26 TRP  HE1        6.79
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 371, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,  &end
#
#  26 TRP  HN        26 TRP  HA         4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 363, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  27 HIS  HB3       27 HIS  HD2        6.07
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 398, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#  27 HIS  HN        27 HIS  HB3        4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 390, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  27 HIS  HB2       27 HIS  HA         4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 387, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  27 HIS  HB3       27 HIS  HA         4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 387, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  27 HIS  HB2       27 HIS  HD2        6.19
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 398, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,  &end
#
#  27 HIS  HN        27 HIS  HA         4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 387, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  27 HIS  HN        27 HIS  HB2        4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 389, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  27 HIS  HN        27 HIS  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 398, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  28 CYS  HA        28 CYS  HB3        5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 406, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  28 CYS  HN        28 CYS  HB3        4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  28 CYS  HA        28 CYS  HB2        4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 407, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  28 CYS  HN        28 CYS  HA         4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 404, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  28 CYS  HN        28 CYS  HB2        4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 407, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  29 GLN  HG3       29 GLN  HA         4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 414, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  29 GLN  HE22      29 GLN  HG3        4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 420, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  29 GLN  HA        29 GLN  HB3        3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 417, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  29 GLN  HN        29 GLN  HB2        3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  29 GLN  HN        29 GLN  HG2        4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 419, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  29 GLN  HG2       29 GLN  HA         4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 414, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  29 GLN  HE21      29 GLN  HG3        5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 420, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  29 GLN  HN        29 GLN  HA         4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 414, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  29 GLN  HE22      29 GLN  HG2        4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 419, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  29 GLN  HA        29 GLN  HB2        4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 416, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  29 GLN  HG2       29 GLN  HB2        4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 416, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  29 GLN  HN        29 GLN  HB3        4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 417, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  29 GLN  HG3       29 GLN  HB3        4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 417, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  29 GLN  HG2       29 GLN  HB3        4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 417, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  29 GLN  HG3       29 GLN  HB2        3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 416, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  29 GLN  HE22      29 GLN  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 412, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  29 GLN  HE22      29 GLN  HB3        6.36
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 417, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,  &end
#
#  29 GLN  HE22      29 GLN  HB2        4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 416, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  29 GLN  HE21      29 GLN  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 417, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  29 GLN  HE21      29 GLN  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 412, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  29 GLN  HE21      29 GLN  HB2        5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 416, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  29 GLN  HN        29 GLN  HG3        4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 420, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  29 GLN  HE21      29 GLN  HG2        5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 419, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  29 GLN  HE22      29 GLN  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 414, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  30 ASP  HB2       30 ASP  HA         4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 431, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  30 ASP  HN        30 ASP  HA         6.36
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 431, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,  &end
#
#  30 ASP  HB3       30 ASP  HA         4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 431, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  30 ASP  HN        30 ASP  HB2        3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 433, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  30 ASP  HN        30 ASP  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  31 CYS  HB2       31 CYS  HA         4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 443, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  31 CYS  HN        31 CYS  HB2        3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 446, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  31 CYS  HB3       31 CYS  HA         4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 443, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  31 CYS  HN        31 CYS  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  31 CYS  HN        31 CYS  HA         3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 443, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  32 PRO  HG3       32 PRO  HD3        3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 453, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  32 PRO  HG3       32 PRO  HD2        3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 452, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  32 PRO  HG2       32 PRO  HD3        4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 453, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  32 PRO  HG2       32 PRO  HD2        4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 452, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  33 PRO  HB3       33 PRO  HG2        3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 469, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  33 PRO  HA        33 PRO  HB3        3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 473, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  33 PRO  HA        33 PRO  HB2        4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 472, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  33 PRO  HG2       33 PRO  HD2        3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 466, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  33 PRO  HB2       33 PRO  HD2        4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 466, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  33 PRO  HA        33 PRO  HG2        4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 469, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  33 PRO  HA        33 PRO  HD2        4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 466, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  33 PRO  HB2       33 PRO  HG2        3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 469, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  33 PRO  HB3       33 PRO  HD2        4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 466, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  33 PRO  HB3       33 PRO  HB2        2.78
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 472, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
#  34 GLU  HA        34 GLU  HB2        3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  34 GLU  HG3       34 GLU  HB3        3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 484, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  34 GLU  HA        34 GLU  HG3        3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 487, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  34 GLU  HA        34 GLU  HG2        4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  34 GLU  HG2       34 GLU  HB3        3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 484, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#  34 GLU  HN        34 GLU  HB2        3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 483, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#  34 GLU  HA        34 GLU  HB3        3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 484, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  34 GLU  HG2       34 GLU  HB2        3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 483, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  34 GLU  HN        34 GLU  HB3        3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 484, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  34 GLU  HG3       34 GLU  HB2        3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 483, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  34 GLU  HN        34 GLU  HG3        4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 487, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  34 GLU  HN        34 GLU  HA         3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 481, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  34 GLU  HN        34 GLU  HG2        4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 486, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  35 MET  HB2       35 MET  HG2        4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 501, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  35 MET  QE        35 MET  HG2        4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 505, 506, 507,
 &end
#
#  35 MET  HA        35 MET  HG2        4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 501, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  35 MET  HB3       35 MET  HA         4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 496, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  35 MET  HB2       35 MET  HG3        4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 502, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  35 MET  HB2       35 MET  HA         4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 496, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  35 MET  HB3       35 MET  HG2        3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 501, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  35 MET  HA        35 MET  HG3        4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 502, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  35 MET  HN        35 MET  HG3        4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 502, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  35 MET  HB2       35 MET  QE         4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 505, 506, 507,
 &end
#
#  35 MET  HB3       35 MET  HG3        3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 502, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  35 MET  HN        35 MET  HA         3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  35 MET  QE        35 MET  HG3        4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 505, 506, 507,
 &end
#
#  35 MET  HN        35 MET  HB3        3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 499, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  35 MET  QE        35 MET  HA         6.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 505, 506, 507,
 &end
#
#  35 MET  HN        35 MET  HB2        3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 498, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  35 MET  HN        35 MET  HG2        4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 501, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  36 SER  HB3       36 SER  HA         4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 513, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  36 SER  HB2       36 SER  HA         4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 513, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  36 SER  HB3       36 SER  HN         3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 511, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  36 SER  HB2       36 SER  HN         3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 511, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  36 SER  HN        36 SER  HA         4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  37 LEU  QD2       37 LEU  HB3        3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 535, 536, 537,
 &end
#
#  37 LEU  QD1       37 LEU  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  HB3       37 LEU  HN         6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 522, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  37 LEU  HA        37 LEU  HG         4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 529, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  37 LEU  QD1       37 LEU  HB2        4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  QD2       37 LEU  HB2        3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 535, 536, 537,
 &end
#
#  37 LEU  QD1       37 LEU  HG         3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  HG        37 LEU  HB2        3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 526, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  37 LEU  HB2       37 LEU  HN         6.97
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 522, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,  &end
#
#  37 LEU  HA        37 LEU  HB2        5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 526, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  37 LEU  HA        37 LEU  QD2        4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 535, 536, 537,
 &end
#
#  37 LEU  HA        37 LEU  QD1        4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 531, 532, 533,
 &end
#
#  37 LEU  HG        37 LEU  HB3        3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 527, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  37 LEU  HA        37 LEU  HB3        4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 527, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  37 LEU  QD2       37 LEU  HG         3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 535, 536, 537,
 &end
#
#  37 LEU  QD1       37 LEU  HB3        3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  HG        37 LEU  HN         6.74
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 522, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,  &end
#
#  37 LEU  HA        37 LEU  HN         6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  38 ASP  HA        38 ASP  HB2        4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 545, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  38 ASP  HA        38 ASP  HB3        4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 546, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  38 ASP  HN        38 ASP  HB3        4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 546, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  38 ASP  HN        38 ASP  HB2        5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 545, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  38 ASP  HN        38 ASP  HA         4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 543, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  39 PHE  HA        39 PHE  QD         4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 561, 569,
 &end
#
#  39 PHE  HA        39 PHE  HB3        4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 558, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  39 PHE  HN        39 PHE  HB2        4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 557, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  39 PHE  HB2       39 PHE  QD         5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 561, 569,
 &end
#
#  39 PHE  HN        39 PHE  HB3        4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 558, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  39 PHE  HB3       39 PHE  QD         5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 561, 569,
 &end
#
#  39 PHE  HA        39 PHE  HB2        4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 557, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  39 PHE  HN        39 PHE  HA         4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 555, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  39 PHE  HN        39 PHE  QD         4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 561, 569,
 &end
#
#  39 PHE  HN        39 PHE  QE         6.49
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr2= 563, 567,
 &end
#
#  40 CYS  HB3       40 CYS  HA         3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 575, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  40 CYS  HN        40 CYS  HA         4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 575, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  40 CYS  HB2       40 CYS  HA         3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 575, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  40 CYS  HB2       40 CYS  HB3        3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 577, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  40 CYS  HB2       40 CYS  HN         4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 573, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  40 CYS  HB3       40 CYS  HN         5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 573, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  41 ASP  HN        41 ASP  HB3        3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  41 ASP  HA        41 ASP  HB2        4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 587, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  41 ASP  HA        41 ASP  HB3        4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 588, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  41 ASP  HN        41 ASP  HB2        4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  41 ASP  HN        41 ASP  HA         4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 585, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  42 SER  HN        42 SER  HB3        3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 600, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  42 SER  HB2       42 SER  HA         3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 597, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  42 SER  HB3       42 SER  HA         3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 597, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  42 SER  HN        42 SER  HB2        3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 599, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  42 SER  HN        42 SER  HA         3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 597, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  43 CYS  HB2       43 CYS  HN         4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 606, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  43 CYS  HB3       43 CYS  HN         4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 606, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  43 CYS  HN        43 CYS  HA         4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 608, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  43 CYS  HB3       43 CYS  HA         4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 608, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  43 CYS  HB2       43 CYS  HA         4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 608, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  44 SER  HA        44 SER  HB2        6.32
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 620, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,  &end
#
#  44 SER  HA        44 SER  HB3        5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 621, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  44 SER  HN        44 SER  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  44 SER  HN        44 SER  HA         4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 618, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  44 SER  HN        44 SER  HB3        3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  45 ASP  HA        45 ASP  HB3        3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 632, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  45 ASP  HN        45 ASP  HA         4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  45 ASP  HN        45 ASP  HB3        3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 632, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  46 CYS  HB3       46 CYS  HA         3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 644, 641, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  46 CYS  HB2       46 CYS  HA         3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 641, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  46 CYS  HN        46 CYS  HA         3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 641, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  46 CYS  HN        46 CYS  HB3        3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 644, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  46 CYS  HN        46 CYS  HB2        3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 643, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  47 LEU  HA        47 LEU  HB2        3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 654, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  47 LEU  QD1       47 LEU  HB2        3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 659, 660, 661,
 &end
#
#  47 LEU  HG        47 LEU  HB3        3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 655, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  47 LEU  QD1       47 LEU  HB3        3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 659, 660, 661,
 &end
#
#  47 LEU  HN        47 LEU  HB2        3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  47 LEU  HN        47 LEU  HG         6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 657, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  47 LEU  QD1       47 LEU  HA         4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 659, 660, 661,
 &end
#
#  47 LEU  QD1       47 LEU  HG         3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 659, 660, 661,
 &end
#
#  47 LEU  HA        47 LEU  HB3        4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 655, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  47 LEU  HA        47 LEU  HG         3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 657, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  47 LEU  HN        47 LEU  HA         3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 652, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#  47 LEU  HN        47 LEU  HB3        3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 655, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  47 LEU  QD1       47 LEU  HN         4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 659, 660, 661,
 &end
#
#  48 HIS  HD2       48 HIS  HB3        6.17
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 674, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,  &end
#
#  48 HIS  HD2       48 HIS  HB2        5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 673, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  48 HIS  HA        48 HIS  HB3        4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 674, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  48 HIS  HD2       48 HIS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 671, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  48 HIS  HN        48 HIS  HB2        4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 673, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  48 HIS  HA        48 HIS  HB2        3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 673, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  48 HIS  HN        48 HIS  HA         4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 671, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  48 HIS  HD2       48 HIS  HN         5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 669, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  48 HIS  HN        48 HIS  HB3        4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 674, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  49 GLU  HB2       49 GLU  HG2        3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 693, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  49 GLU  HN        49 GLU  HA         3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 688, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  49 GLU  HN        49 GLU  HB2        3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 690, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  49 GLU  HA        49 GLU  HG2        4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 693, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  49 GLU  HB3       49 GLU  HG3        4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 694, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  49 GLU  HA        49 GLU  HG3        4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 694, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  49 GLU  HA        49 GLU  HB2        4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 690, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  49 GLU  HA        49 GLU  HB3        4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 691, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  49 GLU  HB3       49 GLU  HG2        3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 693, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  49 GLU  HB2       49 GLU  HG3        3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 694, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  49 GLU  HN        49 GLU  HG2        4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 693, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  49 GLU  HN        49 GLU  HB3        3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 691, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  49 GLU  HN        49 GLU  HG3        4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 694, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  50 THR  QG2       50 THR  HA         3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 707, 708, 709,
 &end
#
#  50 THR  HN        50 THR  HA         4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 703, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  50 THR  HN        50 THR  QG2        4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 707, 708, 709,
 &end
#
#  51 ASP  HB2       51 ASP  HA         3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 717, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  51 ASP  HB3       51 ASP  HA         3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 717, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  51 ASP  HN        51 ASP  HB2        5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 719, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  51 ASP  HN        51 ASP  HB3        4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 720, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  51 ASP  HN        51 ASP  HA         4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 717, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  52 ILE  HG13      52 ILE  HB         3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 731, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  52 ILE  QD1       52 ILE  HA         4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 740, 741, 742,
 &end
#
#  52 ILE  HG13      52 ILE  QD1        4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 740, 741, 742,
 &end
#
#  52 ILE  HN        52 ILE  QD1        4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 740, 741, 742,
 &end
#
#  52 ILE  HG12      52 ILE  QD1        3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 740, 741, 742,
 &end
#
#  52 ILE  HG13      52 ILE  HA         4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 729, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  52 ILE  QG2       52 ILE  HG13       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 733, 734, 735,
 &end
#
#  52 ILE  HN        52 ILE  HG12       3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 737, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  52 ILE  HA        52 ILE  HB         4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 731, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  52 ILE  QD1       52 ILE  HB         4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 740, 741, 742,
 &end
#
#  52 ILE  QG2       52 ILE  QD1        3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 733, 734, 735,
 igr2= 740, 741, 742,
 &end
#
#  52 ILE  QG2       52 ILE  HA         3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 733, 734, 735,
 &end
#
#  52 ILE  QG2       52 ILE  HB         3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 733, 734, 735,
 &end
#
#  52 ILE  HG12      52 ILE  HB         3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 731, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  52 ILE  HG12      52 ILE  HA         3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 729, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  52 ILE  HN        52 ILE  QG2        4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 733, 734, 735,
 &end
#
#  52 ILE  HN        52 ILE  HA         3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 729, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  52 ILE  HN        52 ILE  HB         3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 731, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  52 ILE  HN        52 ILE  HG13       4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 738, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  53 HIS  HB3       53 HIS  HN         3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 746, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  53 HIS  HB2       53 HIS  HD2        6.20
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 758, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  53 HIS  HB2       53 HIS  HA         4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  53 HIS  HB3       53 HIS  HD2        6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 758, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  53 HIS  HB3       53 HIS  HA         3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 748, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  53 HIS  HA        53 HIS  HE1        5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 755, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  53 HIS  HN        53 HIS  HA         4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 748, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  53 HIS  HB2       53 HIS  HN         3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 746, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  54 LYS  HE2       54 LYS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 767, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  54 LYS  HA        54 LYS  HD2        4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 772, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  54 LYS  HG2       54 LYS  HA         4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 764, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  54 LYS  HB2       54 LYS  HA         4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 764, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  54 LYS  HB3       54 LYS  HG2        3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 769, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  54 LYS  HG3       54 LYS  HA         5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 764, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  54 LYS  HE3       54 LYS  HG3        4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 770, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  54 LYS  HB3       54 LYS  HG3        5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 770, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  54 LYS  HB3       54 LYS  HD2        5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 772, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  54 LYS  HG3       54 LYS  HD2        5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 772, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  54 LYS  HE3       54 LYS  HB2        4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 766, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  54 LYS  HB2       54 LYS  HD3        4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 773, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  54 LYS  HE3       54 LYS  HD2        4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 772, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  54 LYS  HE3       54 LYS  HA         6.88
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 764, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,  &end
#
#  54 LYS  HB3       54 LYS  HD3        5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 773, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  54 LYS  HG3       54 LYS  HD3        4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 773, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  54 LYS  HE2       54 LYS  HA         5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 764, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  54 LYS  HE2       54 LYS  HB2        4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 766, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  54 LYS  HE3       54 LYS  HG2        4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 769, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  54 LYS  HE3       54 LYS  HB3        5.98
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 767, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  54 LYS  HG2       54 LYS  HD3        4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 773, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  54 LYS  HB3       54 LYS  HA         4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 764, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  54 LYS  HE2       54 LYS  HG2        4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 769, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  54 LYS  HE2       54 LYS  HD2        4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 772, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  54 LYS  HB2       54 LYS  HG3        4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 770, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  54 LYS  HE2       54 LYS  HD3        4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 773, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  54 LYS  HE2       54 LYS  HG3        4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 770, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  54 LYS  HG2       54 LYS  HD2        4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 772, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  54 LYS  HB2       54 LYS  HG2        3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 769, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  54 LYS  HE3       54 LYS  HD3        3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 773, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  54 LYS  HA        54 LYS  HD3        4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 773, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  54 LYS  HB2       54 LYS  HD2        4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 772, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  55 GLU  HB3       55 GLU  HA         3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 786, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  55 GLU  HN        55 GLU  HB3        3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 789, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  55 GLU  HB2       55 GLU  HA         3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 786, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  55 GLU  HN        55 GLU  HA         3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 786, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  55 GLU  HN        55 GLU  HB2        3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 788, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  56 ASP  HB3       56 ASP  HA         3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 801, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  56 ASP  HN        56 ASP  HB3        3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 804, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  56 ASP  HB2       56 ASP  HA         3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 801, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  56 ASP  HN        56 ASP  HA         3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 801, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  56 ASP  HN        56 ASP  HB2        3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 803, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  57 HIS  HA        57 HIS  HB3        4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 816, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  57 HIS  HD2       57 HIS  HB2        6.66
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 815, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,  &end
#
#  57 HIS  HN        57 HIS  HB3        3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 816, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  57 HIS  HA        57 HIS  HD2        4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 823, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  57 HIS  HD2       57 HIS  HB3        6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 816, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  57 HIS  HA        57 HIS  HB2        5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 815, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  57 HIS  HB2       57 HIS  HE1        6.67
 &rst
  ixpk= 0, nxpk= 0, iat= 815, 820, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
#  57 HIS  HB3       57 HIS  HE1        5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 820, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  57 HIS  HD2       57 HIS  HN         3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 811, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  57 HIS  HN        57 HIS  HB2        3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 815, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  57 HIS  HA        57 HIS  HN         4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 811, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  58 GLN  HN        58 GLN  HG3        4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 835, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  58 GLN  HN        58 GLN  HA         4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 829, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  58 GLN  HA        58 GLN  HG2        4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 834, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  58 GLN  HG2       58 GLN  HB2        3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 831, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  58 GLN  HG3       58 GLN  HB2        3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 831, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  58 GLN  HA        58 GLN  HB2        3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 831, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  58 GLN  HA        58 GLN  HG3        4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 835, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  58 GLN  HG2       58 GLN  HE22       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 840, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  58 GLN  HG3       58 GLN  HE21       5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 839, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  58 GLN  HG2       58 GLN  HE21       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 839, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  58 GLN  HN        58 GLN  HG2        4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 834, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  58 GLN  HN        58 GLN  HB2        3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 831, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  58 GLN  HB2       58 GLN  HE22       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 840, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  58 GLN  HA        58 GLN  HE22       5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 840, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  58 GLN  HB2       58 GLN  HE21       5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 839, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  59 LEU  HA        59 LEU  HG         5.96
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 851, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  59 LEU  QD1       59 LEU  HB3        4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  HB3       59 LEU  HG         4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 851, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  59 LEU  HB2       59 LEU  HA         4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 846, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  59 LEU  HB3       59 LEU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  59 LEU  HN        59 LEU  HG         3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 851, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  59 LEU  QD1       59 LEU  HG         3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  HN        59 LEU  HA         4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 846, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  59 LEU  QD1       59 LEU  HA         3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  HB2       59 LEU  HG         4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 851, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  59 LEU  QD1       59 LEU  HB2        4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       59 LEU  HN         4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  HB3       59 LEU  HN         4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 844, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  59 LEU  HB2       59 LEU  HN         4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 844, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  60 GLU  HG2       60 GLU  HN         5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 863, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  60 GLU  HG3       60 GLU  HB3        3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 868, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  60 GLU  HB3       60 GLU  HA         4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 865, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  60 GLU  HG2       60 GLU  HA         5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 865, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  60 GLU  HB2       60 GLU  HA         4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 865, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  60 GLU  HG2       60 GLU  HB3        4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 868, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  60 GLU  HG2       60 GLU  HB2        4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 867, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  60 GLU  HG3       60 GLU  HA         4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 865, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  60 GLU  HG3       60 GLU  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 867, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  60 GLU  HG3       60 GLU  HN         6.11
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 863, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,  &end
#
#  60 GLU  HN        60 GLU  HA         4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 865, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  60 GLU  HB3       60 GLU  HN         4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 863, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  60 GLU  HB2       60 GLU  HN         4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 863, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  61 PRO  HD3       61 PRO  HG2        5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 882, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  61 PRO  HA        61 PRO  HB2        3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 885, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  61 PRO  HG3       61 PRO  HB3        4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 886, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  61 PRO  HD3       61 PRO  HA         6.67
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 888, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
#  61 PRO  HD2       61 PRO  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 885, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  61 PRO  HG2       61 PRO  HB2        5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 885, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  61 PRO  HD3       61 PRO  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 885, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  61 PRO  HA        61 PRO  HG2        5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 882, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  61 PRO  HD2       61 PRO  HG2        5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 882, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  61 PRO  HD2       61 PRO  HG3        4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 883, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  61 PRO  HA        61 PRO  HB3        3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 886, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  61 PRO  HA        61 PRO  HG3        5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 883, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  61 PRO  HD2       61 PRO  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 888, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  61 PRO  HD3       61 PRO  HG3        5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 883, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  61 PRO  HD2       61 PRO  HB3        5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 886, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  61 PRO  HD3       61 PRO  HB3        6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 886, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  61 PRO  HG2       61 PRO  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  61 PRO  HG3       61 PRO  HB2        5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 885, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  62 ILE  HG12      62 ILE  QG2        4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 898, 899, 900,
 &end
#
#  62 ILE  HA        62 ILE  HG13       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 903, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  62 ILE  HG12      62 ILE  HB         4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 902, 896, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  62 ILE  HG13      62 ILE  HB         4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 896, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  62 ILE  QG2       62 ILE  QD1        3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 898, 899, 900,
 igr2= 905, 906, 907,
 &end
#
#  62 ILE  HG13      62 ILE  QD1        3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 905, 906, 907,
 &end
#
#  62 ILE  QG2       62 ILE  HB         3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 898, 899, 900,
 &end
#
#  62 ILE  HA        62 ILE  HG12       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 902, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  62 ILE  HA        62 ILE  QG2        3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 898, 899, 900,
 &end
#
#  62 ILE  HA        62 ILE  HB         5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  62 ILE  HG12      62 ILE  QD1        4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 905, 906, 907,
 &end
#
#  62 ILE  HN        62 ILE  QG2        4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 898, 899, 900,
 &end
#
#  62 ILE  HB        62 ILE  QD1        4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 905, 906, 907,
 &end
#
#  62 ILE  HN        62 ILE  HG12       4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 902, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  62 ILE  HG13      62 ILE  QG2        4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 898, 899, 900,
 &end
#
#  62 ILE  HA        62 ILE  QD1        4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 905, 906, 907,
 &end
#
#  62 ILE  HN        62 ILE  HG13       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 903, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  62 ILE  HN        62 ILE  HA         4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 894, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  62 ILE  HN        62 ILE  QD1        5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2= 905, 906, 907,
 &end
#
#  62 ILE  HN        62 ILE  HB         3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 896, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  63 TYR  HA        63 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 921, 926,
 &end
#
#  63 TYR  QD        63 TYR  HB2        4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 919, 928,
 &end
#
#  63 TYR  QD        63 TYR  HB3        4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 919, 928,
 &end
#
#  63 TYR  HN        63 TYR  HB2        3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 915, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  63 TYR  HA        63 TYR  HB2        3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 915, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  63 TYR  HA        63 TYR  HB3        3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 916, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  63 TYR  QD        63 TYR  HA         4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 919, 928,
 &end
#
#  63 TYR  HN        63 TYR  QE         5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 921, 926,
 &end
#
#  63 TYR  HN        63 TYR  HB3        3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 916, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  63 TYR  HN        63 TYR  HA         4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 913, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  63 TYR  QD        63 TYR  HN         3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 919, 928,
 &end
#
#  64 ARG  HG3       64 ARG  HA         5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 934, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  64 ARG  HG2       64 ARG  HB2        4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 939, 936, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  64 ARG  HB3       64 ARG  HD2        3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 942, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  64 ARG  HN        64 ARG  HA         3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 934, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  64 ARG  HD2       64 ARG  HA         3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 934, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  64 ARG  HN        64 ARG  HG2        4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 939, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  64 ARG  HG2       64 ARG  HD2        3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 939, 942, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  64 ARG  HN        64 ARG  HB3        3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 937, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  64 ARG  HG2       64 ARG  HA         4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 939, 934, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  64 ARG  HN        64 ARG  HG3        4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 940, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  64 ARG  HB3       64 ARG  HA         3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 934, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  64 ARG  HB2       64 ARG  HA         3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 936, 934, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  64 ARG  HG3       64 ARG  HD2        4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 942, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  64 ARG  HN        64 ARG  HB2        4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 936, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  64 ARG  HG3       64 ARG  HB2        4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 936, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  64 ARG  HG2       64 ARG  HB3        3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 939, 937, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  64 ARG  HB2       64 ARG  HD2        3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 936, 942, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  64 ARG  HG3       64 ARG  HB3        4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 937, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  64 ARG  HN        64 ARG  HD2        4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 942, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   2 PRO  HA         3 LEU  HB3        6.16
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  30, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#   2 PRO  HA         3 LEU  HA         4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  27, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   2 PRO  HB3        3 LEU  HA         6.99
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  27, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,  &end
#
#   2 PRO  HB2        3 LEU  HB2        6.49
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  29, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,  &end
#
#   2 PRO  HB3        3 LEU  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  29, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   3 LEU  HN         2 PRO  HA         4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  21, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   3 LEU  HN         2 PRO  HB3        6.71
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  19, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#   3 LEU  HN         2 PRO  HB2        6.32
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  18, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,  &end
#
#   3 LEU  HN         2 PRO  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  15, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   3 LEU  HA        63 TYR  HB3        6.27
 &rst
  ixpk= 0, nxpk= 0, iat=  27, 916, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,  &end
#
#   4 GLY  HN         3 LEU  HA         4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  27, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   4 GLY  HA2        3 LEU  HA         5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  27, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   4 GLY  HA2        3 LEU  QD2        5.88
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2=  38,  39,  40,
 &end
#
#   4 GLY  HA2        3 LEU  QD1        6.79
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
 igr2=  34,  35,  36,
 &end
#
#   4 GLY  HA2        3 LEU  HB2        6.37
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  29, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,  &end
#
#   4 GLY  HA2        3 LEU  HB3        5.97
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  30, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#   4 GLY  HN         3 LEU  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  30, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   4 GLY  HN         3 LEU  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  29, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   4 GLY  HN         3 LEU  HN         6.33
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  25, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,  &end
#
#   4 GLY  HA2        5 SER  HA         4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  53, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   4 GLY  HA2        5 SER  HN         4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  51, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   4 GLY  HN         5 SER  HN         6.25
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  51, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,  &end
#
#   4 GLY  HA2       22 GLN  HB3        5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  46, 302, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#   4 GLY  HN        23 GLY  HA3        4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  44, 317, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   4 GLY  HA2       23 GLY  HA3        4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  46, 317, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   4 GLY  HA2       23 GLY  HA2        5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  46, 316, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   4 GLY  HN        41 ASP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  44, 588, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   5 SER  HB2        2 PRO  HD2        5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  12, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   5 SER  HB2        2 PRO  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  18, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   5 SER  HB2        2 PRO  HB3        5.76
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  19, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#   5 SER  HB2        3 LEU  HA         6.92
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  27, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,  &end
#
#   5 SER  HA         4 GLY  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  44, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   5 SER  HA         6 VAL  HB         5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  66, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   5 SER  HB2        6 VAL  HB         6.59
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  66, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,  &end
#
#   5 SER  HB2        6 VAL  HB         5.73
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  66, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#   5 SER  HB2        7 GLN  HE21       6.77
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  90, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,  &end
#
#   5 SER  HB2        7 GLN  HE22       6.39
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  91, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,  &end
#
#   6 VAL  QG2        2 PRO  HA         6.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG2        3 LEU  HB2        6.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG2        3 LEU  HB3        6.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1        3 LEU  HA         5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  27, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  HN         3 LEU  HA         6.40
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  27, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#   6 VAL  HA         5 SER  HA         4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  53, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   6 VAL  QG2        5 SER  HA         5.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1        5 SER  HA         5.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  53, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2        5 SER  HB2        5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  55, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1        5 SER  HB2        5.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  55, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG1        5 SER  HN         6.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  HN         5 SER  HN         4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  51, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   6 VAL  HN         5 SER  HA         3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  53, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#   6 VAL  HN         5 SER  HB2        4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  55, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   6 VAL  HA         7 GLN  HA         6.90
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  80, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
#   6 VAL  QG2        7 GLN  HA         6.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  HA         7 GLN  HN         2.94
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  78, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#   6 VAL  QG1        7 GLN  HN         4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  HA         7 GLN  HG2        5.61
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  85, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#   6 VAL  HA         7 GLN  HG3        6.31
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  86, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,  &end
#
#   6 VAL  QG2        7 GLN  HG2        6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1        7 GLN  HG2        6.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2        7 GLN  HG3        5.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  HA         7 GLN  HB2        6.23
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  82, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,  &end
#
#   6 VAL  QG1        7 GLN  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG1        7 GLN  HB2        5.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  82, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  HN         7 GLN  HG3        6.25
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  86, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,  &end
#
#   6 VAL  HN         7 GLN  HG2        6.38
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  85, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,  &end
#
#   6 VAL  QG2        7 GLN  HN         3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  HN         7 GLN  HN         4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  78, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   6 VAL  QG2        8 HIS  HA         6.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1        8 HIS  HA         5.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2        8 HIS  HD2        5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG2       22 GLN  HA         6.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  HN        22 GLN  HA         6.32
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 299, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,  &end
#
#   6 VAL  HN        23 GLY  HA3        6.24
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 317, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,  &end
#
#   6 VAL  HN        23 GLY  HA2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 316, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   6 VAL  QG1       23 GLY  HA3        6.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2       23 GLY  HA2        5.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1       23 GLY  HA2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2       23 GLY  HA3        5.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG2       24 VAL  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1       24 VAL  HA         5.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG1       24 VAL  QG1        6.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.07, r4=10.57,
 igr1=  68,  69,  70,
 igr2= 327, 328, 329,
 &end
#
#   6 VAL  QG2       24 VAL  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=  72,  73,  74,
 igr2= 331, 332, 333,
 &end
#
#   6 VAL  HB        24 VAL  QG2        5.98
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 331, 332, 333,
 &end
#
#   6 VAL  HA        24 VAL  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 323, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   6 VAL  HB        24 VAL  QG1        6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr2= 327, 328, 329,
 &end
#
#   6 VAL  QG1       24 VAL  HN         5.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG1       25 ARG  HN         5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2       62 ILE  QG2        4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=  72,  73,  74,
 igr2= 898, 899, 900,
 &end
#
#   6 VAL  QG2       63 TYR  HB2        5.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG2       63 TYR  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG2       63 TYR  HA         4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1       63 TYR  HB3        4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2       63 TYR  HB3        5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1       63 TYR  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG1       63 TYR  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2       63 TYR  HA         5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1       63 TYR  HA         5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2       64 ARG  HB3        5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1       64 ARG  HB3        6.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2       64 ARG  HB2        4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1       64 ARG  HB2        5.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2       64 ARG  HD2        5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1       64 ARG  HD2        4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2       64 ARG  HA         3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1       64 ARG  HA         4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG2       64 ARG  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG2       64 ARG  HG3        5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1=  72,  73,  74,
 &end
#
#   6 VAL  QG1       64 ARG  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  QG1       64 ARG  HG3        6.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 8.27, r4= 8.77,
 igr1=  68,  69,  70,
 &end
#
#   6 VAL  HB        64 ARG  HA         5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  66, 934, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   6 VAL  HA        64 ARG  HA         4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 934, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   6 VAL  QG2       64 ARG  HN         5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=  72,  73,  74,
 &end
#
#   7 GLN  HN         5 SER  HN         6.21
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  51, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
#   7 GLN  HN         6 VAL  HB         6.42
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  66, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,  &end
#
#   7 GLN  HB2        8 HIS  HA         6.02
 &rst
  ixpk= 0, nxpk= 0, iat=  82,  97, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#   7 GLN  HA         8 HIS  HB2        6.53
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  99, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,  &end
#
#   7 GLN  HA         8 HIS  HB3        6.20
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 100, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#   7 GLN  HN         8 HIS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  97, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   7 GLN  HA        22 GLN  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 297, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   7 GLN  HB2       22 GLN  HN         5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  82, 297, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   7 GLN  HN        25 ARG  HN         6.54
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 337, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,  &end
#
#   8 HIS  HN         6 VAL  QG1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  68,  69,  70,
 &end
#
#   8 HIS  HN         6 VAL  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  72,  73,  74,
 &end
#
#   8 HIS  HD2        7 GLN  HA         5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  80, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   8 HIS  HN         7 GLN  HG3        6.85
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  86, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,  &end
#
#   8 HIS  HN         7 GLN  HB3        5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  83, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   8 HIS  HN         7 GLN  HG2        5.76
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  85, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#   8 HIS  HN         7 GLN  HA         3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  80, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   8 HIS  HN         7 GLN  HN         6.12
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  78, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,  &end
#
#   8 HIS  HN         9 VAL  HN         5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 112, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   8 HIS  HN        11 PHE  QD         6.14
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2= 143, 151,
 &end
#
#   8 HIS  HN        21 ILE  HB         6.34
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 282, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,  &end
#
#   8 HIS  HN        22 GLN  HA         5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 299, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   8 HIS  HD2       22 GLN  HN         6.48
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 297, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,  &end
#
#   8 HIS  HN        22 GLN  HG2        6.42
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 304, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,  &end
#
#   8 HIS  HN        23 GLY  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 314, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   8 HIS  HD2       25 ARG  HN         6.44
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 337, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,  &end
#
#   9 VAL  QG2        7 GLN  HB2        3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  82, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  QG2        7 GLN  HA         6.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  HN         7 GLN  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  80, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   9 VAL  QG2        7 GLN  HG2        5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  QG1        7 GLN  HG3        5.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 118, 119, 120,
 &end
#
#   9 VAL  QG2        7 GLN  HG3        5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  QG2        7 GLN  HB3        6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  QG1        7 GLN  HB2        5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  82, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 118, 119, 120,
 &end
#
#   9 VAL  QG2        7 GLN  HB2        5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  82, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  HN         7 GLN  HG2        6.16
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  85, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#   9 VAL  HN         7 GLN  HG3        6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  86, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,  &end
#
#   9 VAL  HN         7 GLN  HB2        4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  82, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   9 VAL  QG1        7 GLN  HE21       7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 118, 119, 120,
 &end
#
#   9 VAL  QG2        7 GLN  HE21       6.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  QG2        7 GLN  HE22       7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  QG1        7 GLN  HE22       7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 118, 119, 120,
 &end
#
#   9 VAL  HB         8 HIS  HA         4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  97, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   9 VAL  HB         8 HIS  HA         6.23
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  97, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,  &end
#
#   9 VAL  HN         8 HIS  HA         3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  97, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#   9 VAL  QG2        8 HIS  HA         4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  HN         8 HIS  HB2        5.98
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  99, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#   9 VAL  QG2        8 HIS  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  HN         8 HIS  HB3        5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 100, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#   9 VAL  QG2       10 GLY  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  QG1       10 GLY  HA2        4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 118, 119, 120,
 &end
#
#   9 VAL  QG2       10 GLY  HA2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  QG1       10 GLY  HA3        4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 118, 119, 120,
 &end
#
#   9 VAL  QG1       10 GLY  HN         5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 118, 119, 120,
 &end
#
#   9 VAL  HN        11 PHE  QE         6.35
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr2= 145, 149,
 &end
#
#   9 VAL  HN        11 PHE  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 143, 151,
 &end
#
#   9 VAL  QG1       20 PRO  HG2        6.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 118, 119, 120,
 &end
#
#   9 VAL  QG2       20 PRO  HG2        4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  QG1       20 PRO  HG3        5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 118, 119, 120,
 &end
#
#   9 VAL  QG2       20 PRO  HG3        6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr1= 122, 123, 124,
 &end
#
#   9 VAL  QG1       20 PRO  HD2        6.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 118, 119, 120,
 &end
#
#  10 GLY  HA2        9 VAL  HA         5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 114, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  10 GLY  HN         9 VAL  HB         6.24
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 116, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,  &end
#
#  10 GLY  HA2        9 VAL  HB         6.46
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 116, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,  &end
#
#  10 GLY  HA3        9 VAL  HB         5.66
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 116, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  &end
#
#  10 GLY  HN         9 VAL  HA         4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 114, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  10 GLY  HN         9 VAL  HN         5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 112, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  10 GLY  HA2       11 PHE  HA         6.46
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 137, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,  &end
#
#  10 GLY  HN        20 PRO  HG2        6.74
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 268, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,  &end
#
#  10 GLY  HN        20 PRO  HG3        6.96
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 269, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,  &end
#
#  11 PHE  QD         8 HIS  HB3        5.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 143, 151,
 &end
#
#  11 PHE  QD         8 HIS  HA         5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1= 143, 151,
 &end
#
#  11 PHE  HB2        8 HIS  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 PHE  HB3        8 HIS  HB2        4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  99, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  11 PHE  HB3        8 HIS  HB3        5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 100, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  11 PHE  HB3        8 HIS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  97, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  11 PHE  HN         8 HIS  HB3        5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 100, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  11 PHE  HN         8 HIS  HB2        6.74
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  99, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,  &end
#
#  11 PHE  HN         9 VAL  QG1        5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 118, 119, 120,
 &end
#
#  11 PHE  HN         9 VAL  QG2        6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2= 122, 123, 124,
 &end
#
#  11 PHE  HN         9 VAL  HN         6.59
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 112, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,  &end
#
#  11 PHE  HN         9 VAL  HA         4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  11 PHE  HN        10 GLY  HA2        4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 130, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  11 PHE  HN        10 GLY  HA3        4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 131, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  11 PHE  HN        10 GLY  HN         4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 128, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  11 PHE  HA        12 LYS  HB2        5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 159, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  11 PHE  HA        12 LYS  HA         5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 157, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  11 PHE  HN        12 LYS  HN         4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 155, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  11 PHE  HN        20 PRO  HA         5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 274, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  11 PHE  HN        20 PRO  HB2        5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 271, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
#  11 PHE  HN        20 PRO  HG3        5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 269, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  11 PHE  HN        20 PRO  HB3        5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 272, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  11 PHE  HA        21 ILE  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 291, 292, 293,
 &end
#
#  11 PHE  HA        21 ILE  HG13       6.96
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 289, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,  &end
#
#  11 PHE  HN        21 ILE  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 278, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  11 PHE  HN        21 ILE  QD1        6.20
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2= 291, 292, 293,
 &end
#
#  11 PHE  HB3       38 ASP  HB2        5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 545, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  11 PHE  HB3       38 ASP  HB3        5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 546, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  12 LYS  HA        11 PHE  HB3        6.41
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 140, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,  &end
#
#  12 LYS  HN        11 PHE  HB3        4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 140, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  12 LYS  HN        11 PHE  HA         3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 137, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  12 LYS  HN        11 PHE  HB2        4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 139, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  12 LYS  HN        11 PHE  QD         4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 143, 151,
 &end
#
#  12 LYS  HA        13 CYS  HB2        5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 182, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  12 LYS  HA        13 CYS  HB3        5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 181, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  12 LYS  HN        13 CYS  HN         5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 177, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  12 LYS  HE2       14 ASP  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 189, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  12 LYS  HG3       14 ASP  HA         6.51
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 189, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,  &end
#
#  12 LYS  HG2       17 GLY  HA2        5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 225, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  12 LYS  HG2       17 GLY  HA3        5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 226, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  12 LYS  HG3       17 GLY  HA2        5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 225, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  12 LYS  HG3       17 GLY  HA3        5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 226, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  12 LYS  HD2       17 GLY  HA2        4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 225, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  12 LYS  HD2       17 GLY  HA3        5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  12 LYS  HE2       17 GLY  HA2        4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 225, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  12 LYS  HE2       17 GLY  HA3        4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 226, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  12 LYS  HA        17 GLY  HA2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 225, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  12 LYS  HG3       17 GLY  HN         6.45
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 223, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,  &end
#
#  12 LYS  HE2       17 GLY  HN         5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 223, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  12 LYS  HG2       17 GLY  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 223, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  12 LYS  HA        18 ILE  QG2        5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 236, 237, 238,
 &end
#
#  12 LYS  HE2       18 ILE  HN         6.59
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 230, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,  &end
#
#  12 LYS  HA        18 ILE  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 230, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  12 LYS  HG2       19 GLU  HB2        6.56
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 253, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,  &end
#
#  12 LYS  HG2       19 GLU  HB3        5.66
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 254, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  &end
#
#  12 LYS  HG3       19 GLU  HB2        6.61
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 253, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,  &end
#
#  12 LYS  HG3       19 GLU  HB3        5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 254, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  12 LYS  HD2       19 GLU  HB2        6.35
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 253, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,  &end
#
#  12 LYS  HD2       19 GLU  HB3        6.67
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 254, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
#  12 LYS  HE2       19 GLU  HB2        5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 253, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  12 LYS  HE2       19 GLU  HB3        5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 254, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  12 LYS  HB3       19 GLU  HA         6.71
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 251, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#  12 LYS  HB3       19 GLU  HB2        6.16
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 253, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  12 LYS  HB3       19 GLU  HB3        6.28
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 254, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,  &end
#
#  12 LYS  HB2       19 GLU  HB2        5.99
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 253, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,  &end
#
#  12 LYS  HB2       19 GLU  HB3        6.34
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 254, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,  &end
#
#  12 LYS  HA        19 GLU  HB3        4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 254, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  12 LYS  HA        19 GLU  HA         4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 251, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  12 LYS  HA        19 GLU  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 253, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  12 LYS  HA        19 GLU  HB3        6.45
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 254, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,  &end
#
#  12 LYS  HG3       19 GLU  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 249, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  12 LYS  HG2       19 GLU  HN         4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 249, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  12 LYS  HA        19 GLU  HN         6.81
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 249, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,  &end
#
#  12 LYS  HB3       20 PRO  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 274, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  12 LYS  HA        20 PRO  HB2        5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 271, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  12 LYS  HA        21 ILE  QD1        5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2= 291, 292, 293,
 &end
#
#  12 LYS  HN        21 ILE  QD1        5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 291, 292, 293,
 &end
#
#  12 LYS  HA        21 ILE  HG12       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 288, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  12 LYS  HA        21 ILE  HG13       6.59
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 289, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,  &end
#
#  12 LYS  HN        21 ILE  HG13       5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 289, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  12 LYS  HN        21 ILE  HG12       6.95
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 288, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#  12 LYS  HN        38 ASP  HB2        6.15
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 545, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,  &end
#
#  13 CYS  HN        12 LYS  HA         3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 157, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  13 CYS  HN        12 LYS  HD2        4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 165, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  13 CYS  HN        12 LYS  HG2        4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 162, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  13 CYS  HN        12 LYS  HG3        4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 163, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  13 CYS  HN        12 LYS  HE2        6.54
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 168, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,  &end
#
#  13 CYS  HN        12 LYS  HB3        4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 160, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  13 CYS  HN        12 LYS  HB2        5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 159, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  13 CYS  HN        14 ASP  HN         5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 187, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  13 CYS  HB2       15 ASN  HB3        6.95
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 204, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#  13 CYS  HB3       15 ASN  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 204, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  13 CYS  HA        15 ASN  HN         5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 199, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  13 CYS  HB3       16 CYS  HN         4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 213, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  13 CYS  HA        16 CYS  HN         6.37
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 213, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,  &end
#
#  13 CYS  HB3       17 GLY  HA2        6.08
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 225, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,  &end
#
#  13 CYS  HB3       17 GLY  HA3        6.08
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 226, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,  &end
#
#  13 CYS  HN        17 GLY  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  13 CYS  HA        17 GLY  HN         6.45
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 223, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,  &end
#
#  13 CYS  HN        18 ILE  QG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 236, 237, 238,
 &end
#
#  13 CYS  HA        18 ILE  QG2        6.31
 &rst
  ixpk= 0, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
 igr2= 236, 237, 238,
 &end
#
#  13 CYS  HB2       18 ILE  HB         5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 234, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  13 CYS  HB3       18 ILE  HB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 234, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  13 CYS  HN        18 ILE  HB         6.61
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 234, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,  &end
#
#  13 CYS  HA        18 ILE  HN         6.59
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 230, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,  &end
#
#  13 CYS  HN        19 GLU  HA         5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 251, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  13 CYS  HN        19 GLU  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 253, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  13 CYS  HA        21 ILE  QD1        4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 291, 292, 293,
 &end
#
#  13 CYS  HA        21 ILE  QG2        6.54
 &rst
  ixpk= 0, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr2= 284, 285, 286,
 &end
#
#  13 CYS  HA        21 ILE  HG12       6.53
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 288, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,  &end
#
#  13 CYS  HN        21 ILE  QG2        5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 284, 285, 286,
 &end
#
#  13 CYS  HN        21 ILE  HA         6.11
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 280, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,  &end
#
#  13 CYS  HN        21 ILE  HG12       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 288, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  13 CYS  HN        21 ILE  QD1        4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 291, 292, 293,
 &end
#
#  13 CYS  HN        21 ILE  HG13       4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 289, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  13 CYS  HA        39 PHE  HA         4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 555, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  13 CYS  HB2       39 PHE  HA         6.34
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 555, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,  &end
#
#  13 CYS  HA        40 CYS  HN         5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 573, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  13 CYS  HA        40 CYS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 578, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  13 CYS  HB2       40 CYS  HA         5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 575, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  13 CYS  HN        40 CYS  HN         6.32
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 573, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,  &end
#
#  13 CYS  HN        40 CYS  HB3        6.65
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 577, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,  &end
#
#  13 CYS  HB2       43 CYS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 610, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  13 CYS  HB2       43 CYS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 611, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  13 CYS  HB3       43 CYS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 610, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  13 CYS  HB3       43 CYS  HB2        6.79
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 611, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,  &end
#
#  14 ASP  HB3       13 CYS  HA         6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 179, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  14 ASP  HB2       13 CYS  HA         6.27
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 179, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,  &end
#
#  14 ASP  HN        13 CYS  HA         3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 179, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  14 ASP  HN        13 CYS  HB3        5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 181, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  14 ASP  HN        13 CYS  HB2        5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 182, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  14 ASP  HA        15 ASN  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 201, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  14 ASP  HB3       15 ASN  HA         6.08
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 201, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,  &end
#
#  14 ASP  HB2       15 ASN  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 201, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  14 ASP  HB3       15 ASN  HN         5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  14 ASP  HB2       15 ASN  HN         5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 199, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  14 ASP  HN        15 ASN  HN         4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 199, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  14 ASP  HN        15 ASN  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 204, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  14 ASP  HN        15 ASN  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 203, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  14 ASP  HA        15 ASN  HN         5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 199, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  14 ASP  HN        16 CYS  HN         6.95
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 213, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#  14 ASP  HN        17 GLY  HN         6.21
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 223, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
#  14 ASP  HN        18 ILE  QG2        6.12
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr2= 236, 237, 238,
 &end
#
#  14 ASP  HN        21 ILE  QD1        5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 291, 292, 293,
 &end
#
#  14 ASP  HN        21 ILE  HG12       6.56
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 288, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,  &end
#
#  14 ASP  HB3       37 LEU  HA         6.74
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 524, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,  &end
#
#  14 ASP  HB3       37 LEU  QD1        5.77
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 531, 532, 533,
 &end
#
#  14 ASP  HB2       37 LEU  QD1        5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 531, 532, 533,
 &end
#
#  14 ASP  HB3       37 LEU  QD2        4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 535, 536, 537,
 &end
#
#  14 ASP  HB2       37 LEU  QD2        4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 535, 536, 537,
 &end
#
#  14 ASP  HA        37 LEU  QD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 535, 536, 537,
 &end
#
#  14 ASP  HN        37 LEU  HB3        6.40
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 527, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  14 ASP  HN        37 LEU  HB2        6.32
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 526, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,  &end
#
#  14 ASP  HN        38 ASP  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 545, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  14 ASP  HN        38 ASP  HB3        6.07
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 546, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#  14 ASP  HN        38 ASP  HN         5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 541, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  14 ASP  HN        39 PHE  HB3        6.65
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 558, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,  &end
#
#  14 ASP  HN        39 PHE  HB2        6.34
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 557, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,  &end
#
#  14 ASP  HB3       39 PHE  QE         6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 563, 567,
 &end
#
#  14 ASP  HB2       39 PHE  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 563, 567,
 &end
#
#  14 ASP  HN        39 PHE  QE         6.29
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr2= 563, 567,
 &end
#
#  14 ASP  HN        39 PHE  QD         6.22
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr2= 561, 569,
 &end
#
#  14 ASP  HN        39 PHE  HA         4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 555, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  14 ASP  HN        40 CYS  HN         5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 573, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  14 ASP  HB3       48 HIS  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 682, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  14 ASP  HB2       48 HIS  HD2        5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 682, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  14 ASP  HB3       50 THR  QG2        6.77
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
 igr2= 707, 708, 709,
 &end
#
#  15 ASN  HN        13 CYS  HB3        6.02
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 181, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,  &end
#
#  15 ASN  HN        13 CYS  HB2        6.13
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 182, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,  &end
#
#  15 ASN  HB3       16 CYS  HB2        6.64
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 218, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,  &end
#
#  15 ASN  HB3       16 CYS  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  15 ASN  HN        16 CYS  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  15 ASN  HN        16 CYS  HA         6.88
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 215, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,  &end
#
#  15 ASN  HN        17 GLY  HA3        6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 226, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  15 ASN  HB2       39 PHE  QE         5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 563, 567,
 &end
#
#  15 ASN  HB2       39 PHE  QD         5.77
 &rst
  ixpk= 0, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr2= 561, 569,
 &end
#
#  15 ASN  HN        39 PHE  QE         4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 563, 567,
 &end
#
#  15 ASN  HN        39 PHE  QD         4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 561, 569,
 &end
#
#  15 ASN  HN        39 PHE  HA         4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 555, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  15 ASN  HB3       43 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 608, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  15 ASN  HB2       43 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 608, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  15 ASN  HB2       43 CYS  HB3        6.13
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 610, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,  &end
#
#  15 ASN  HB3       43 CYS  HB3        5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 610, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  15 ASN  HB3       43 CYS  HB2        5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 611, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  15 ASN  HB2       43 CYS  HB3        5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 610, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  15 ASN  HB2       43 CYS  HB2        4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 611, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  15 ASN  HD22      43 CYS  HA         5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 608, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  15 ASN  HD21      43 CYS  HA         6.19
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 608, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,  &end
#
#  15 ASN  HN        43 CYS  HB3        6.20
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 610, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  15 ASN  HN        43 CYS  HB2        6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 611, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  15 ASN  HD22      46 CYS  HB3        6.49
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 644, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,  &end
#
#  15 ASN  HD22      46 CYS  HB2        6.12
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 643, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,  &end
#
#  16 CYS  HA        15 ASN  HA         5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 201, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  16 CYS  HN        15 ASN  HB3        3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 204, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  16 CYS  HN        15 ASN  HB2        4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 203, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  16 CYS  HN        15 ASN  HD21       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 208, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  16 CYS  HN        15 ASN  HD22       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 209, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  16 CYS  HN        15 ASN  HA         4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 201, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  16 CYS  HB3       15 ASN  HD21       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 208, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  16 CYS  HB2       15 ASN  HD21       6.25
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 208, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,  &end
#
#  16 CYS  HB2       15 ASN  HD22       5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 209, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  16 CYS  HB3       15 ASN  HD22       6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 209, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  16 CYS  HN        17 GLY  HA2        6.24
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 225, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,  &end
#
#  16 CYS  HN        17 GLY  HA3        4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 226, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  16 CYS  HB2       18 ILE  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 234, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  16 CYS  HN        39 PHE  QE         6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 563, 567,
 &end
#
#  16 CYS  HN        39 PHE  QD         4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 561, 569,
 &end
#
#  16 CYS  HN        43 CYS  HA         5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 608, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  16 CYS  HN        43 CYS  HB2        4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 611, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  16 CYS  HN        43 CYS  HB3        5.77
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 610, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,  &end
#
#  17 GLY  HN        13 CYS  HB2        5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 182, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  17 GLY  HN        13 CYS  HB3        4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 181, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  17 GLY  HN        15 ASN  HN         4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 199, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  17 GLY  HN        16 CYS  HA         6.67
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 215, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
#  17 GLY  HN        16 CYS  HN         3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 213, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  17 GLY  HN        16 CYS  HB3        5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 217, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  17 GLY  HN        16 CYS  HB2        5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 218, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  19 GLU  HN        18 ILE  HA         4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 232, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  17 GLY  HN        18 ILE  HB         5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 234, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  17 GLY  HN        18 ILE  HN         4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 230, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  17 GLY  HN        18 ILE  QG2        4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 236, 237, 238,
 &end
#
#  17 GLY  HN        18 ILE  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 234, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  18 ILE  QG2       13 CYS  HB2        4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  QG2       13 CYS  HB3        3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  HN        13 CYS  HB3        4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 181, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  18 ILE  HN        13 CYS  HB2        4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 182, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  18 ILE  QG2       15 ASN  HN         5.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  HN        15 ASN  HN         5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 199, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  18 ILE  QG2       16 CYS  HN         4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  HN        16 CYS  HN         4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 213, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  18 ILE  HN        16 CYS  HB3        6.27
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 217, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,  &end
#
#  18 ILE  HN        16 CYS  HB2        5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 218, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  18 ILE  HA        17 GLY  HA3        6.88
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 226, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,  &end
#
#  18 ILE  QG2       17 GLY  HA3        6.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  HN        17 GLY  HA2        5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 225, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  18 ILE  HN        17 GLY  HA3        4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 226, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  18 ILE  QG2       22 GLN  HN         4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  QG2       40 CYS  HA         5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  QG2       40 CYS  HN         5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  QG2       42 SER  HB3        5.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  QG2       42 SER  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 236, 237, 238,
 &end
#
#  18 ILE  QG2       43 CYS  HN         6.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
 igr1= 236, 237, 238,
 &end
#
#  19 GLU  HA        18 ILE  HA         6.37
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 232, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,  &end
#
#  19 GLU  HB2       18 ILE  HA         5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 232, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  19 GLU  HB3       18 ILE  HA         5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 232, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  19 GLU  HA        18 ILE  QG2        5.74
 &rst
  ixpk= 0, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2= 236, 237, 238,
 &end
#
#  19 GLU  HN        18 ILE  QG2        5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 236, 237, 238,
 &end
#
#  19 GLU  HB3       18 ILE  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 236, 237, 238,
 &end
#
#  19 GLU  HN        18 ILE  QD1        4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 243, 244, 245,
 &end
#
#  19 GLU  HA        18 ILE  HG13       6.86
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 241, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,  &end
#
#  19 GLU  HA        18 ILE  HG12       6.67
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 240, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
#  19 GLU  HN        18 ILE  HG13       4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 241, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  19 GLU  HN        18 ILE  HN         5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 230, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  19 GLU  HN        18 ILE  HA         3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 232, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  19 GLU  HN        18 ILE  HB         5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 234, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  19 GLU  HN        18 ILE  HG12       4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 240, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  19 GLU  HN        18 ILE  QG2        4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 236, 237, 238,
 &end
#
#  19 GLU  HB2       20 PRO  HA         5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 274, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  19 GLU  HA        20 PRO  HG2        5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 268, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  19 GLU  HA        20 PRO  HG3        6.33
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 269, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,  &end
#
#  19 GLU  HB2       20 PRO  HD2        5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 265, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  19 GLU  HN        20 PRO  HA         6.55
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 274, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  19 GLU  HN        20 PRO  HD2        6.96
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 265, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,  &end
#
#  20 PRO  HG2        8 HIS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 100, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  20 PRO  HG3        8 HIS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  99, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  20 PRO  HG2        8 HIS  HN         6.35
 &rst
  ixpk= 0, nxpk= 0, iat= 268,  95, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,  &end
#
#  20 PRO  HG3        8 HIS  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  95, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   7 GLU  QB         8 HIS  HN         4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=  82,  83,
 &end
#
#  20 PRO  HA         9 VAL  HA         5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 114, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  20 PRO  HG2        9 VAL  HA         4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 114, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  20 PRO  HG3        9 VAL  HA         4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 114, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  20 PRO  HG2        9 VAL  HN         5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 112, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  20 PRO  HA        18 ILE  QG2        5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr2= 236, 237, 238,
 &end
#
#  20 PRO  HA        19 GLU  HA         3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 251, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  20 PRO  HB3       19 GLU  HA         5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 251, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  20 PRO  HB2       19 GLU  HA         6.09
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 251, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,  &end
#
#  20 PRO  HB2       20 PRO  HA         4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 274, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  20 PRO  HA        21 ILE  HB         5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 282, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  20 PRO  HA        21 ILE  HA         6.71
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 280, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#  20 PRO  HA        21 ILE  HG12       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 288, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  20 PRO  HA        21 ILE  HN         4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 278, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  20 PRO  HG2       21 ILE  HB         6.79
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 282, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,  &end
#
#  20 PRO  HB2       21 ILE  HN         6.81
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 278, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,  &end
#
#  20 PRO  HG3       22 GLN  HG2        4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 304, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  20 PRO  HG2       22 GLN  HE22       6.29
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 310, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,  &end
#
#  20 PRO  HG3       22 GLN  HE22       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 310, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  20 PRO  HG3       22 GLN  HE22       5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 310, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  20 PRO  HG3       22 GLN  HE21       5.98
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 309, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  21 ILE  HB         8 HIS  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  99, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  21 ILE  HB         8 HIS  HB3        4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 100, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  21 ILE  HN         8 HIS  HB3        5.56
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 100, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#  21 ILE  QD1        8 HIS  HB2        6.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  QG2        8 HIS  HB2        5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QG2        8 HIS  HB2        5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QG2        8 HIS  HB3        5.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QG2        8 HIS  HD2        4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QG2        8 HIS  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  HN         8 HIS  HB2        6.49
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  99, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,  &end
#
#  21 ILE  QD1       11 PHE  QD         5.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 291, 292, 293,
 igr2= 143, 151,
 &end
#
#  21 ILE  HB        11 PHE  HB3        6.83
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 140, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,  &end
#
#  21 ILE  QD1       11 PHE  HB2        5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  QD1       11 PHE  HB3        4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  QG2       11 PHE  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  HG13      11 PHE  HB2        6.45
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 139, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,  &end
#
#  21 ILE  QG2       11 PHE  HB3        5.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  HG13      11 PHE  HB3        6.43
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 140, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  21 ILE  HN        11 PHE  HB3        6.26
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 140, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,  &end
#
#  21 ILE  QD1       13 CYS  HB2        5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  QD1       13 CYS  HB3        5.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  HG12      13 CYS  HB2        6.33
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 182, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,  &end
#
#  21 ILE  HG13      13 CYS  HB2        6.40
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 182, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  21 ILE  HG12      13 CYS  HB3        6.14
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 181, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,  &end
#
#  21 ILE  HG13      13 CYS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 181, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  21 ILE  QG2       13 CYS  HB2        6.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  HA        18 ILE  QG2        3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 236, 237, 238,
 &end
#
#  21 ILE  QD1       18 ILE  QG2        5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
 igr1= 291, 292, 293,
 igr2= 236, 237, 238,
 &end
#
#  21 ILE  QG2       18 ILE  QG2        4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 284, 285, 286,
 igr2= 236, 237, 238,
 &end
#
#  21 ILE  HG12      18 ILE  QG2        4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 236, 237, 238,
 &end
#
#  21 ILE  HG13      18 ILE  QG2        4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 236, 237, 238,
 &end
#
#  21 ILE  HA        18 ILE  QD1        5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 243, 244, 245,
 &end
#
#  21 ILE  QG2       18 ILE  QD1        4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 284, 285, 286,
 igr2= 243, 244, 245,
 &end
#
#  21 ILE  HG12      18 ILE  QD1        6.58
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
 igr2= 243, 244, 245,
 &end
#
#  21 ILE  HA        18 ILE  HG13       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 241, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  21 ILE  HA        18 ILE  HG12       6.15
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 240, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,  &end
#
#  21 ILE  HG13      18 ILE  HG13       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 241, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  21 ILE  HG12      18 ILE  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 230, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  21 ILE  HG13      18 ILE  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 230, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  21 ILE  HN        19 GLU  HA         5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 251, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  21 ILE  HA        19 GLU  HA         6.60
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 251, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  21 ILE  HN        20 PRO  HG2        5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 268, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  21 ILE  HA        20 PRO  HG2        5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 268, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  21 ILE  HN        20 PRO  HD2        6.91
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 265, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,  &end
#
#  21 ILE  HG12      21 ILE  HG13       4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 289, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  21 ILE  HA        22 GLN  HB2        6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 301, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  21 ILE  HA        22 GLN  HN         3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 297, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  21 ILE  QG2       22 GLN  HN         4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  HA        22 GLN  HA         4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 299, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  21 ILE  QG2       22 GLN  HA         5.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  HA        22 GLN  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 304, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  21 ILE  HA        22 GLN  HG3        6.28
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 305, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,  &end
#
#  21 ILE  HA        22 GLN  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 301, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  21 ILE  HA        22 GLN  HB3        6.09
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 302, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,  &end
#
#  21 ILE  QD1       22 GLN  HN         5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  HN        22 GLN  HN         6.11
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 297, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,  &end
#
#  21 ILE  HG12      22 GLN  HN         5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 297, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  21 ILE  HG13      22 GLN  HN         5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  21 ILE  QG2       23 GLY  HN         5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QG2       24 VAL  HA         5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QG2       24 VAL  HN         6.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QG2       25 ARG  HA         4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QD1       25 ARG  HA         6.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  QG2       25 ARG  HN         6.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QG2       26 TRP  HN         5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QD1       26 TRP  HN         5.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  QD1       38 ASP  HB2        4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  QD1       38 ASP  HB3        4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  QG2       38 ASP  HB2        6.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QG2       38 ASP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QD1       39 PHE  HA         5.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  QG2       39 PHE  HA         6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QG2       39 PHE  HN         5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QD1       39 PHE  HN         5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  HB        40 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 575, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  21 ILE  HA        40 CYS  HA         5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 575, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  21 ILE  HG12      40 CYS  HA         4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 575, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  21 ILE  HG13      40 CYS  HA         6.07
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 575, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#  21 ILE  QD1       40 CYS  HA         5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  QG2       40 CYS  HA         3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  QD1       40 CYS  HN         5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 291, 292, 293,
 &end
#
#  21 ILE  HG13      40 CYS  HN         6.58
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 573, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,  &end
#
#  21 ILE  QG2       40 CYS  HN         5.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  HG12      40 CYS  HN         6.07
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 573, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#  21 ILE  QG2       41 ASP  HN         4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 284, 285, 286,
 &end
#
#  21 ILE  HG12      42 SER  HN         6.43
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 595, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  22 GLN  HA         7 GLN  HB3        3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  83, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  22 GLN  HA         6 VAL  HB         6.47
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  66, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,  &end
#
#  22 GLN  HG2        7 GLN  HA         5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  80, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  22 GLN  HG3        7 GLN  HA         5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  80, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  22 GLN  HA         7 GLN  HA         3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  80, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  22 GLN  HB2        7 GLN  HA         6.53
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  80, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,  &end
#
#  22 GLN  HB3        7 GLN  HA         6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  80, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  22 GLN  HA         7 GLN  HB3        5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  83, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  22 GLN  HA         7 GLN  HB2        5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  82, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  22 GLN  HA         7 GLN  HB2        4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  82, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  22 GLN  HG2        7 GLN  HB3        4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  83, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  22 GLN  HG3        7 GLN  HB3        4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  83, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  22 GLN  HG2        7 GLN  HB2        4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  82, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  22 GLN  HG3        7 GLN  HB2        4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  82, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  22 GLN  HE21       7 GLN  HE22       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  91, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  22 GLN  HE21       7 GLN  HE21       6.22
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  90, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,  &end
#
#  22 GLN  HE22       7 GLN  HB3        6.34
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  83, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,  &end
#
#  22 GLN  HA         7 GLN  HN         6.37
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  78, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,  &end
#
#  22 GLN  HA         8 HIS  HD2        5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 108, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  22 GLN  HE21       9 VAL  HB         6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 116, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  22 GLN  HN        18 ILE  QD1        5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 243, 244, 245,
 &end
#
#  22 GLN  HG2       18 ILE  QD1        6.36
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr2= 243, 244, 245,
 &end
#
#  22 GLN  HG3       18 ILE  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 243, 244, 245,
 &end
#
#  22 GLN  HG2       18 ILE  HG12       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 240, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  22 GLN  HG3       18 ILE  HG12       6.36
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 240, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,  &end
#
#  22 GLN  HN        18 ILE  HG12       6.33
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 240, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,  &end
#
#  22 GLN  HN        18 ILE  HG13       6.98
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 241, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,  &end
#
#  22 GLN  HG2       20 PRO  HD2        6.67
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 265, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
#  22 GLN  HG3       20 PRO  HD2        6.29
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 265, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,  &end
#
#  22 GLN  HN        21 ILE  HB         5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 282, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  22 GLN  HB2       23 GLY  HA3        6.45
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 317, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,  &end
#
#  22 GLN  HB3       23 GLY  HA3        5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 317, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  22 GLN  HB3       23 GLY  HA3        6.16
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 317, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  22 GLN  HB2       23 GLY  HA2        6.26
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 316, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,  &end
#
#  22 GLN  HB3       23 GLY  HA2        5.96
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 316, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  22 GLN  HA        23 GLY  HA3        5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 317, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  22 GLN  HA        23 GLY  HA2        5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 316, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  22 GLN  HN        23 GLY  HA2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 316, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  22 GLN  HA        24 VAL  HN         6.27
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 321, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,  &end
#
#  22 GLN  HN        40 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 575, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  23 GLY  HA2        3 LEU  QD1        6.45
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr2=  34,  35,  36,
 &end
#
#  23 GLY  HA3        3 LEU  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  27, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  23 GLY  HN         4 GLY  HA2        6.62
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  46, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,  &end
#
#  23 GLY  HN         6 VAL  QG2        6.11
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr2=  72,  73,  74,
 &end
#
#  23 GLY  HN         6 VAL  HB         6.90
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  66, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
#  23 GLY  HA3        6 VAL  HB         4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  66, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  23 GLY  HA2        6 VAL  HB         5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  66, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  23 GLY  HN         6 VAL  QG1        5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2=  68,  69,  70,
 &end
#
#  23 GLY  HN         6 VAL  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  64, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  23 GLY  HN         6 VAL  HN         4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  62, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  23 GLY  HN         7 GLN  HA         5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  80, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  23 GLY  HN         7 GLN  HB2        6.40
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  82, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  23 GLY  HN         7 GLN  HN         5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  78, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  23 GLY  HN         8 HIS  HD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  23 GLY  HN        22 GLN  HA         3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 299, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  23 GLY  HN        22 GLN  HG3        6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 305, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,  &end
#
#  23 GLY  HN        22 GLN  HB2        5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 301, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  23 GLY  HN        22 GLN  HB3        4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 302, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  23 GLY  HN        22 GLN  HN         6.55
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 297, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  23 GLY  HN        22 GLN  HG2        5.96
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 304, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  23 GLY  HA3       24 VAL  HA         6.26
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 323, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,  &end
#
#  23 GLY  HA2       24 VAL  HA         6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 323, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  23 GLY  HA3       24 VAL  QG2        6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 331, 332, 333,
 &end
#
#  23 GLY  HA3       24 VAL  QG1        5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr2= 327, 328, 329,
 &end
#
#  23 GLY  HA2       24 VAL  QG1        5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 327, 328, 329,
 &end
#
#  23 GLY  HA3       24 VAL  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 325, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  23 GLY  HA2       24 VAL  HB         6.28
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 325, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,  &end
#
#  23 GLY  HN        24 VAL  HN         5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 321, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  23 GLY  HA2       41 ASP  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 587, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  23 GLY  HA2       41 ASP  HB3        6.59
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 588, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,  &end
#
#  23 GLY  HA3       41 ASP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  23 GLY  HA2       41 ASP  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 583, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  24 VAL  HA         3 LEU  HA         5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  27, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  24 VAL  QG1        3 LEU  QD2        6.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 327, 328, 329,
 igr2=  38,  39,  40,
 &end
#
#  24 VAL  QG1        3 LEU  HB2        6.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  29, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  QG1        3 LEU  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  QG1        3 LEU  HG         6.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  32, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  HN        23 GLY  HA3        4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 317, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  24 VAL  HN        23 GLY  HA2        3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 316, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  24 VAL  HA        25 ARG  HB3        6.42
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 342, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,  &end
#
#  24 VAL  QG2       25 ARG  HA         5.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 331, 332, 333,
 &end
#
#  24 VAL  QG1       25 ARG  HA         5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  HN        25 ARG  HN         5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 337, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  24 VAL  HB        26 TRP  HE1        5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 371, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#  24 VAL  HB        41 ASP  HB2        5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 587, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  24 VAL  HB        41 ASP  HB3        5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 588, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  24 VAL  QG2       41 ASP  HB2        5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 331, 332, 333,
 &end
#
#  24 VAL  QG2       41 ASP  HB3        4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 331, 332, 333,
 &end
#
#  24 VAL  QG1       41 ASP  HB3        5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  QG2       41 ASP  HA         5.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 331, 332, 333,
 &end
#
#  24 VAL  HN        41 ASP  HB3        5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 588, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  24 VAL  HN        41 ASP  HB2        6.34
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 587, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,  &end
#
#  24 VAL  HN        41 ASP  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 583, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  24 VAL  QG2       61 PRO  HG2        6.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 331, 332, 333,
 &end
#
#  24 VAL  QG2       61 PRO  HG3        5.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 331, 332, 333,
 &end
#
#  24 VAL  QG1       61 PRO  HG2        6.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  QG1       61 PRO  HG3        6.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  QG2       61 PRO  HB2        4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 331, 332, 333,
 &end
#
#  24 VAL  QG2       61 PRO  HB3        3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 331, 332, 333,
 &end
#
#  24 VAL  QG1       61 PRO  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  QG2       61 PRO  HA         4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 331, 332, 333,
 &end
#
#  24 VAL  QG1       61 PRO  HA         4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  QG2       62 ILE  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 331, 332, 333,
 &end
#
#  24 VAL  QG1       62 ILE  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  QG1       62 ILE  QG2        5.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 327, 328, 329,
 igr2= 898, 899, 900,
 &end
#
#  24 VAL  QG1       62 ILE  QG2        5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 327, 328, 329,
 igr2= 898, 899, 900,
 &end
#
#  24 VAL  HA        63 TYR  HA         4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 913, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  24 VAL  HB        63 TYR  HA         6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 913, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,  &end
#
#  24 VAL  QG2       63 TYR  QE         6.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
 igr1= 331, 332, 333,
 igr2= 921, 926,
 &end
#
#  24 VAL  QG1       63 TYR  QE         5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
 igr1= 327, 328, 329,
 igr2= 921, 926,
 &end
#
#  24 VAL  QG1       63 TYR  HB2        6.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  QG1       63 TYR  HB3        6.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  QG2       63 TYR  HA         5.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 331, 332, 333,
 &end
#
#  24 VAL  QG1       63 TYR  HA         5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 327, 328, 329,
 &end
#
#  24 VAL  HN        63 TYR  QE         6.36
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr2= 921, 926,
 &end
#
#  24 VAL  HN        63 TYR  QD         6.42
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 919, 928,
 &end
#
#  25 ARG  HN        24 VAL  QG1        4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 327, 328, 329,
 &end
#
#  25 ARG  HN        24 VAL  HB         5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 325, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  25 ARG  HN        24 VAL  HA         3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 323, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  25 ARG  HN        24 VAL  QG2        3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 331, 332, 333,
 &end
#
#  25 ARG  HA        25 ARG  HB2        4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 341, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  25 ARG  HN        26 TRP  HA         6.08
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 363, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,  &end
#
#  25 ARG  HN        61 PRO  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 888, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  25 ARG  HN        62 ILE  HA         6.94
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 894, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,  &end
#
#  25 ARG  HN        62 ILE  HB         4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 896, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  25 ARG  HN        62 ILE  HG13       5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 903, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  25 ARG  HN        62 ILE  QG2        5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 898, 899, 900,
 &end
#
#  25 ARG  HN        62 ILE  QD1        6.48
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr2= 905, 906, 907,
 &end
#
#  25 ARG  HN        63 TYR  HN         6.89
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 911, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,  &end
#
#  25 ARG  HN        63 TYR  HA         5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 913, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  26 TRP  HE1       24 VAL  QG2        4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 331, 332, 333,
 &end
#
#  26 TRP  HE1       24 VAL  QG1        5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr2= 327, 328, 329,
 &end
#
#  26 TRP  HB3       24 VAL  QG2        5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 331, 332, 333,
 &end
#
#  26 TRP  HN        24 VAL  QG1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 327, 328, 329,
 &end
#
#  26 TRP  HN        24 VAL  QG2        5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 331, 332, 333,
 &end
#
#  26 TRP  HN        24 VAL  HB         6.74
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 325, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,  &end
#
#  26 TRP  HA        25 ARG  HA         5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 339, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  26 TRP  HB3       25 ARG  HA         5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 339, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  26 TRP  HN        25 ARG  HA         3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 339, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  26 TRP  HN        25 ARG  HN         5.77
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 337, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,  &end
#
#  26 TRP  HN        25 ARG  HB3        6.06
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 342, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,  &end
#
#  26 TRP  HN        25 ARG  HB2        5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 341, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  26 TRP  HB3       27 HIS  HA         6.20
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 387, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  26 TRP  HE1       41 ASP  HA         3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 585, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  26 TRP  HE1       41 ASP  HB3        5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 588, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  26 TRP  HN        41 ASP  HA         6.37
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 585, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,  &end
#
#  26 TRP  HE1       41 ASP  HB2        6.75
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 587, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,  &end
#
#  26 TRP  HB3       44 SER  HA         6.44
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 618, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,  &end
#
#  26 TRP  HB2       44 SER  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 618, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  26 TRP  HE1       44 SER  HB2        6.27
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 620, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,  &end
#
#  26 TRP  HN        44 SER  HB2        6.22
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 620, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,  &end
#
#  26 TRP  HE1       44 SER  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 621, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  26 TRP  HB3       61 PRO  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 888, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  26 TRP  HE1       61 PRO  HB3        6.94
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 886, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,  &end
#
#  26 TRP  HN        61 PRO  HA         6.18
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 888, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,  &end
#
#  26 TRP  HE1       61 PRO  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 888, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  26 TRP  HA        62 ILE  QD1        5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr2= 905, 906, 907,
 &end
#
#  26 TRP  HN        62 ILE  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 896, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  27 HIS  HN        24 VAL  QG2        6.86
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr2= 331, 332, 333,
 &end
#
#  27 HIS  HN        26 TRP  HA         3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 363, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  27 HIS  HA        26 TRP  HA         4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 363, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  27 HIS  HB2       26 TRP  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 363, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  27 HIS  HN        26 TRP  HN         5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 361, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  27 HIS  HN        26 TRP  HB3        6.51
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 366, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,  &end
#
#  27 HIS  HA        28 CYS  HB2        6.32
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 407, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,  &end
#
#  27 HIS  HN        28 CYS  HN         6.39
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 402, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,  &end
#
#  27 HIS  HN        39 PHE  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 553, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  27 HIS  HN        59 LEU  QD1        5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 853, 854, 855,
 &end
#
#  27 HIS  HN        59 LEU  HA         5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 846, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  27 HIS  HN        59 LEU  HB2        6.70
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 848, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,  &end
#
#  27 HIS  HN        59 LEU  HB3        6.66
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 849, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,  &end
#
#  27 HIS  HN        60 GLU  HB2        6.13
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 867, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,  &end
#
#  27 HIS  HN        60 GLU  HB3        6.57
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 868, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,  &end
#
#  27 HIS  HN        60 GLU  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 865, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  27 HIS  HN        60 GLU  HN         4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 863, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  27 HIS  HN        61 PRO  HA         4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 888, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  27 HIS  HB2       62 ILE  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 898, 899, 900,
 &end
#
#  27 HIS  HA        62 ILE  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 905, 906, 907,
 &end
#
#  27 HIS  HB3       62 ILE  HG13       6.76
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 903, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,  &end
#
#  27 HIS  HB3       62 ILE  HG12       6.66
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 902, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,  &end
#
#  27 HIS  HB2       62 ILE  HG13       6.68
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 903, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,  &end
#
#  27 HIS  HB2       62 ILE  HG12       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 902, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  27 HIS  HB3       62 ILE  QD1        4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 905, 906, 907,
 &end
#
#  27 HIS  HB2       62 ILE  QD1        4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 905, 906, 907,
 &end
#
#  27 HIS  HN        62 ILE  HG12       6.63
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 902, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,  &end
#
#  27 HIS  HN        62 ILE  HG13       6.37
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 903, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,  &end
#
#  27 HIS  HN        62 ILE  QD1        4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 905, 906, 907,
 &end
#
#  27 HIS  HN        62 ILE  HB         6.51
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 896, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,  &end
#
#  28 CYS  HA        27 HIS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 387, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  28 CYS  HN        27 HIS  HA         3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 387, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  28 CYS  HN        27 HIS  HD2        6.87
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 398, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,  &end
#
#  28 CYS  HN        27 HIS  HB3        6.64
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 390, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,  &end
#
#  28 CYS  HN        27 HIS  HB2        6.22
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 389, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,  &end
#
#  28 CYS  HA        29 GLN  HA         4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 414, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  28 CYS  HA        29 GLN  HG3        6.13
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,  &end
#
#  28 CYS  HA        29 GLN  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 419, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  28 CYS  HA        29 GLN  HB2        6.21
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 416, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
#  28 CYS  HA        29 GLN  HN         3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 412, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  28 CYS  HN        29 GLN  HN         5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  28 CYS  HB2       31 CYS  HB2        5.77
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 446, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,  &end
#
#  28 CYS  HB3       31 CYS  HB2        5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 446, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  28 CYS  HB2       31 CYS  HB3        5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 445, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  28 CYS  HB3       31 CYS  HB3        5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 445, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  28 CYS  HN        31 CYS  HB3        6.56
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 445, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,  &end
#
#  28 CYS  HB3       36 SER  HA         5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 513, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  28 CYS  HN        36 SER  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 513, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  28 CYS  HB3       37 LEU  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 522, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  28 CYS  HN        37 LEU  HN         6.32
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 522, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,  &end
#
#  28 CYS  HN        37 LEU  HB3        5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 527, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  28 CYS  HB2       37 LEU  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 522, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  28 CYS  HN        37 LEU  HB2        4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 526, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  28 CYS  HN        39 PHE  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 563, 567,
 &end
#
#  28 CYS  HA        59 LEU  HG         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 851, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  28 CYS  HA        59 LEU  HA         3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 846, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  28 CYS  HA        59 LEU  HN         5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 844, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  28 CYS  HN        59 LEU  HA         6.91
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 846, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,  &end
#
#  28 CYS  HN        60 GLU  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 863, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  29 GLN  HA        27 HIS  HD2        5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 398, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  29 GLN  HA        28 CYS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 407, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  29 GLN  HA        28 CYS  HB3        6.33
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 406, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,  &end
#
#  29 GLN  HN        28 CYS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 407, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  29 GLN  HN        28 CYS  HB3        5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 406, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  29 GLN  HA        30 ASP  HA         5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 431, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  29 GLN  HB2       30 ASP  HA         5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 431, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  29 GLN  HB3       30 ASP  HA         6.65
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 431, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,  &end
#
#  29 GLN  HN        30 ASP  HA         5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 431, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  29 GLN  HB3       58 GLN  HG3        4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 835, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  29 GLN  HB3       58 GLN  HG2        5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 834, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  29 GLN  HB3       58 GLN  HA         5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 829, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  29 GLN  HN        58 GLN  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 831, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  29 GLN  HN        59 LEU  HN         6.53
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 844, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,  &end
#
#  29 GLN  HN        59 LEU  HA         4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 846, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  29 GLN  HG3       60 GLU  HA         5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 865, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  29 GLN  HG2       60 GLU  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 865, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  29 GLN  HE21      60 GLU  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 867, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  29 GLN  HE22      60 GLU  HG3        5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 871, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  29 GLN  HE22      60 GLU  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 870, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  29 GLN  HE22      60 GLU  HB2        5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 867, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  29 GLN  HE22      60 GLU  HB3        4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 868, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  30 ASP  HN        28 CYS  HA         5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 404, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  30 ASP  HN        28 CYS  HB3        5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 406, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  30 ASP  HN        28 CYS  HB2        5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 407, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  30 ASP  HN        29 GLN  HA         4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 414, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  30 ASP  HB3       29 GLN  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 416, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  30 ASP  HN        29 GLN  HB2        4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 416, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  30 ASP  HB2       29 GLN  HN         5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 412, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  30 ASP  HN        29 GLN  HG3        5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 420, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  30 ASP  HN        29 GLN  HN         3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 412, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  30 ASP  HB3       29 GLN  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 412, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  30 ASP  HN        29 GLN  HB3        5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 417, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  30 ASP  HA        31 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 443, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  30 ASP  HB2       31 CYS  HA         5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 443, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  30 ASP  HN        31 CYS  HB3        5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 445, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  30 ASP  HB2       31 CYS  HB2        6.39
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 446, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,  &end
#
#  30 ASP  HN        31 CYS  HB2        6.14
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 446, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,  &end
#
#  30 ASP  HB3       57 HIS  HB3        5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 816, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  30 ASP  HB2       57 HIS  HB3        5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 816, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  30 ASP  HB3       57 HIS  HB2        5.77
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 815, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,  &end
#
#  30 ASP  HB2       57 HIS  HB2        5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 815, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  30 ASP  HN        57 HIS  HB2        6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 815, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,  &end
#
#  30 ASP  HN        57 HIS  HB3        5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 816, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  30 ASP  HN        57 HIS  HA         4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 813, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  30 ASP  HB3       58 GLN  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 835, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  30 ASP  HB3       58 GLN  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 834, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  30 ASP  HB2       58 GLN  HB2        5.96
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 831, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  &end
#
#  30 ASP  HN        58 GLN  HN         5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 827, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  31 CYS  HN        28 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 404, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  31 CYS  HN        28 CYS  HB2        4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 407, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  31 CYS  HN        28 CYS  HB3        4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 406, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  31 CYS  HN        29 GLN  HA         5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 414, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  31 CYS  HN        29 GLN  HN         5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 412, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  31 CYS  HN        30 ASP  HA         5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 431, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  31 CYS  HN        30 ASP  HB2        4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 433, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  31 CYS  HN        30 ASP  HN         3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 429, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  31 CYS  HN        30 ASP  HB3        5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 434, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  31 CYS  HN        32 PRO  HD3        5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 453, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  31 CYS  HN        32 PRO  HD2        5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 452, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  31 CYS  HB2       35 MET  HG2        6.55
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 501, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  31 CYS  HB3       35 MET  HG2        6.21
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 501, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
#  31 CYS  HB2       36 SER  HA         5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 513, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  31 CYS  HB3       36 SER  HA         5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 513, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  31 CYS  HB2       36 SER  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 511, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  31 CYS  HB2       37 LEU  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 522, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  31 CYS  HN        52 ILE  QG2        5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 733, 734, 735,
 &end
#
#  31 CYS  HN        57 HIS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 816, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  31 CYS  HN        57 HIS  HB2        6.79
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 815, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,  &end
#
#  31 CYS  HN        58 GLN  HN         6.12
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 827, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,  &end
#
#  32 PRO  HG3       31 CYS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 446, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  32 PRO  HG3       31 CYS  HB2        5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 446, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  32 PRO  HG2       31 CYS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 446, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  32 PRO  HG2       31 CYS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 445, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  32 PRO  HG3       31 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 443, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  32 PRO  HG2       31 CYS  HA         5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 443, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  32 PRO  HD2       31 CYS  HB2        4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 446, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  32 PRO  HD2       31 CYS  HB3        5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 445, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  32 PRO  HD3       31 CYS  HB2        4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 446, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  32 PRO  HD3       31 CYS  HB3        4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 445, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  32 PRO  HD2       31 CYS  HA         3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 443, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  32 PRO  HD3       31 CYS  HA         3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 443, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  32 PRO  HG3       32 PRO  HD2        3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 452, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  32 PRO  HG3       33 PRO  HD2        4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 466, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  32 PRO  HG2       33 PRO  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 466, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  32 PRO  HG3       34 GLU  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 479, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  32 PRO  HG2       34 GLU  HN         5.67
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 479, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  32 PRO  HG3       35 MET  HB2        6.18
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 498, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,  &end
#
#  32 PRO  HG2       35 MET  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 498, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  32 PRO  HG3       35 MET  HG2        4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 501, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  32 PRO  HG3       35 MET  HG3        5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 502, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  32 PRO  HG2       35 MET  HG2        5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 501, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  32 PRO  HG2       35 MET  HG3        5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 502, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  32 PRO  HD2       35 MET  HG3        5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 502, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  32 PRO  HD3       35 MET  HG2        6.47
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 501, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,  &end
#
#  32 PRO  HD3       35 MET  HG3        5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 502, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  32 PRO  HG3       35 MET  HA         6.24
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 496, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,  &end
#
#  32 PRO  HG2       35 MET  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  32 PRO  HD2       36 SER  HA         5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 513, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  32 PRO  HD3       36 SER  HA         5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 513, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  35 MET  QB        36 SER  HN         3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 498, 499,
 &end
#
#  32 PRO  HG3       52 ILE  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 740, 741, 742,
 &end
#
#  32 PRO  HG3       52 ILE  QD1        5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2= 740, 741, 742,
 &end
#
#  32 PRO  HG2       52 ILE  QD1        4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 740, 741, 742,
 &end
#
#  32 PRO  HG3       52 ILE  QG2        6.60
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr2= 733, 734, 735,
 &end
#
#  32 PRO  HG2       52 ILE  QG2        4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 733, 734, 735,
 &end
#
#  32 PRO  HG2       52 ILE  HG13       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 738, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  32 PRO  HD2       52 ILE  QD1        5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 740, 741, 742,
 &end
#
#  32 PRO  HD3       52 ILE  QD1        5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 740, 741, 742,
 &end
#
#  32 PRO  HD2       52 ILE  QG2        3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 733, 734, 735,
 &end
#
#  32 PRO  HD3       52 ILE  QG2        3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 733, 734, 735,
 &end
#
#  33 PRO  HA        34 GLU  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 PRO  HG2       34 GLU  HA         5.66
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 481, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  &end
#
#  33 PRO  HD2       34 GLU  HG2        6.48
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 486, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,  &end
#
#  33 PRO  HD2       34 GLU  HG3        6.44
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 487, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,  &end
#
#  33 PRO  HD2       34 GLU  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 484, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  33 PRO  HB3       34 GLU  HA         5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 481, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  33 PRO  HB2       34 GLU  HA         6.09
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 481, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,  &end
#
#  34 GLU  HN        33 PRO  HG2        6.55
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 469, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  34 GLU  HN        33 PRO  HD2        4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 466, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  34 GLU  HN        33 PRO  HB2        4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 472, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  34 GLU  HN        33 PRO  HB3        5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 473, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  34 GLU  HN        33 PRO  HA         4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 475, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  34 GLU  HB2       35 MET  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 502, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  34 GLU  HB3       35 MET  HG2        5.77
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 501, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,  &end
#
#  34 GLU  HG2       35 MET  HA         6.67
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 496, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
#  34 GLU  HB2       35 MET  HA         6.20
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 496, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  34 GLU  HN        35 MET  HB2        6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 498, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  34 GLU  HN        35 MET  HB3        3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 499, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  35 MET  HB3       31 CYS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 445, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  35 MET  HB3       31 CYS  HA         5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 443, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  35 MET  HB2       31 CYS  HA         6.62
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 443, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,  &end
#
#  35 MET  HB2       31 CYS  HB2        5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 446, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  35 MET  HB2       31 CYS  HB3        5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 445, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  35 MET  HB3       32 PRO  HD3        3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 453, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  35 MET  HB2       32 PRO  HD2        6.45
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 452, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,  &end
#
#  35 MET  HB3       32 PRO  HD3        6.71
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 453, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#  35 MET  HB2       32 PRO  HD3        5.77
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 453, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,  &end
#
#  35 MET  HN        32 PRO  HD3        6.21
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 453, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
#  35 MET  HN        32 PRO  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 452, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  35 MET  HN        33 PRO  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 469, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  35 MET  HN        33 PRO  HD2        5.56
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 466, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#  35 MET  HB2       34 GLU  HG2        6.07
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 486, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#  35 MET  HB2       34 GLU  HG3        5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 487, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  35 MET  HB2       34 GLU  HB2        6.63
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 483, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,  &end
#
#  35 MET  HB2       34 GLU  HB3        6.31
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 484, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,  &end
#
#  35 MET  HN        34 GLU  HG3        4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 487, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  35 MET  HN        34 GLU  HA         4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 481, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  35 MET  HN        34 GLU  HN         3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 479, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  35 MET  HN        34 GLU  HG2        4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 486, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  35 MET  HN        34 GLU  HB2        4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 483, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  35 MET  HB3       36 SER  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 513, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  35 MET  HB2       36 SER  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 513, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  35 MET  HN        36 SER  HA         4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 513, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  35 MET  HB2       36 SER  HN         4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 511, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  35 MET  HN        36 SER  HN         4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 511, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  35 MET  HB3       52 ILE  QG2        4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 733, 734, 735,
 &end
#
#  35 MET  HB3       52 ILE  HG13       6.25
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 738, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,  &end
#
#  35 MET  HB2       52 ILE  QG2        5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 733, 734, 735,
 &end
#
#  35 MET  HB2       52 ILE  QD1        6.34
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 740, 741, 742,
 &end
#
#  35 MET  HB3       52 ILE  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 731, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  35 MET  HB2       52 ILE  HB         6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 731, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  36 SER  HB2       28 CYS  HB3        6.72
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 406, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,  &end
#
#  36 SER  HB2       28 CYS  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 402, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  36 SER  HB3       31 CYS  HB2        5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 446, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  36 SER  HB3       31 CYS  HB3        5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 445, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  36 SER  HB3       33 PRO  HA         6.14
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 475, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,  &end
#
#  36 SER  HN        34 GLU  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 487, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  36 SER  HB3       34 GLU  HA         5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 481, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  36 SER  HN        34 GLU  HA         5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 481, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  36 SER  HA        35 MET  HA         6.97
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 496, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,  &end
#
#  36 SER  HA        35 MET  HG2        6.11
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 501, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,  &end
#
#  36 SER  HN        35 MET  HG3        5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 502, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  36 SER  HB3       35 MET  HN         6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 494, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  36 SER  HB2       35 MET  HN         6.66
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 494, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,  &end
#
#  36 SER  HN        35 MET  HG2        5.81
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 501, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,  &end
#
#  36 SER  HN        35 MET  HA         3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 496, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  36 SER  HB3       37 LEU  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 522, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  37 LEU  HB2       27 HIS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 387, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  37 LEU  HG        28 CYS  HB2        5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 407, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  37 LEU  HG        28 CYS  HB3        5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 406, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  37 LEU  QD1       28 CYS  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  QD1       28 CYS  HB3        5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  QD2       28 CYS  HB2        6.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 407, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 535, 536, 537,
 &end
#
#  37 LEU  QD2       28 CYS  HB3        4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 535, 536, 537,
 &end
#
#  37 LEU  HB2       28 CYS  HA         6.51
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 404, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,  &end
#
#  37 LEU  HB3       28 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 404, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  37 LEU  HB2       28 CYS  HB2        4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 407, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  37 LEU  HB2       28 CYS  HB3        5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 406, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  37 LEU  HB3       28 CYS  HB2        4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 407, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  37 LEU  HB3       28 CYS  HB3        4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 406, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  37 LEU  HA        28 CYS  HN         6.86
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 402, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,  &end
#
#  37 LEU  HB2       31 CYS  HB3        6.98
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 445, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,  &end
#
#  37 LEU  HG        31 CYS  HB2        5.99
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 446, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,  &end
#
#  37 LEU  HB2       31 CYS  HB2        5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 446, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  37 LEU  HB3       31 CYS  HB2        6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 446, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  37 LEU  HA        35 MET  HG2        6.71
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 501, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#  37 LEU  HG        35 MET  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 501, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  37 LEU  HG        35 MET  QE         5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 505, 506, 507,
 &end
#
#  37 LEU  QD1       35 MET  HG2        5.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  QD1       35 MET  HG3        6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  QD1       35 MET  QE         4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 531, 532, 533,
 igr2= 505, 506, 507,
 &end
#
#  37 LEU  QD2       35 MET  QE         5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62,
 igr1= 535, 536, 537,
 igr2= 505, 506, 507,
 &end
#
#  37 LEU  HG        36 SER  HA         6.22
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 513, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,  &end
#
#  37 LEU  QD1       36 SER  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  HB2       36 SER  HA         6.73
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 513, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,  &end
#
#  37 LEU  HB3       36 SER  HA         6.22
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 513, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,  &end
#
#  37 LEU  HN        36 SER  HN         5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 511, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  37 LEU  HN        36 SER  HA         4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 513, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  37 LEU  QD1       36 SER  HN         5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  HA        38 ASP  HB3        6.49
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 546, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,  &end
#
#  37 LEU  HA        38 ASP  HA         6.31
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 543, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,  &end
#
#  37 LEU  QD1       39 PHE  QE         4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 531, 532, 533,
 igr2= 563, 567,
 &end
#
#  37 LEU  QD2       39 PHE  QE         4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 535, 536, 537,
 igr2= 563, 567,
 &end
#
#  37 LEU  QD1       48 HIS  HD2        5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  QD2       48 HIS  HD2        4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 535, 536, 537,
 &end
#
#  37 LEU  QD1       50 THR  QG2        4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 531, 532, 533,
 igr2= 707, 708, 709,
 &end
#
#  37 LEU  QD2       50 THR  QG2        3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 535, 536, 537,
 igr2= 707, 708, 709,
 &end
#
#  37 LEU  QD2       50 THR  HN         6.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1= 535, 536, 537,
 &end
#
#  37 LEU  QD1       53 HIS  HB2        5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  QD2       53 HIS  HB2        4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 535, 536, 537,
 &end
#
#  37 LEU  QD1       53 HIS  HB3        4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  QD2       53 HIS  HB3        4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 535, 536, 537,
 &end
#
#  37 LEU  QD1       53 HIS  HA         6.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  QD1       53 HIS  HN         5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  QD1       53 HIS  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 531, 532, 533,
 &end
#
#  37 LEU  QD2       53 HIS  HD2        5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr1= 535, 536, 537,
 &end
#
#  37 LEU  QD2       53 HIS  HN         5.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 535, 536, 537,
 &end
#
#  37 LEU  QD1       59 LEU  QD1        5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1= 531, 532, 533,
 igr2= 853, 854, 855,
 &end
#
#  37 LEU  QD2       59 LEU  QD1        5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
 igr1= 535, 536, 537,
 igr2= 853, 854, 855,
 &end
#
#  38 ASP  HN        13 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 179, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  38 ASP  HN        14 ASP  HB3        4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 192, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  38 ASP  HN        14 ASP  HB2        6.07
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 191, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#  38 ASP  HA        21 ILE  QD1        5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 291, 292, 293,
 &end
#
#  38 ASP  HA        26 TRP  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 366, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  38 ASP  HA        26 TRP  HN         5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 361, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  38 ASP  HB2       27 HIS  HA         6.75
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 387, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,  &end
#
#  38 ASP  HB3       27 HIS  HA         6.33
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 387, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,  &end
#
#  38 ASP  HA        27 HIS  HA         3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 387, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  38 ASP  HA        27 HIS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 390, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  38 ASP  HA        27 HIS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 389, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  38 ASP  HN        27 HIS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 387, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  38 ASP  HA        27 HIS  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 385, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  38 ASP  HN        28 CYS  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 402, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  38 ASP  HA        28 CYS  HN         5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 402, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  38 ASP  HN        36 SER  HA         6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 513, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  38 ASP  HN        37 LEU  HG         5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 529, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  38 ASP  HN        37 LEU  HB2        4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 526, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  38 ASP  HN        37 LEU  QD1        4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 531, 532, 533,
 &end
#
#  38 ASP  HN        37 LEU  HB3        4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 527, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  38 ASP  HN        37 LEU  QD2        4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 535, 536, 537,
 &end
#
#  38 ASP  HN        37 LEU  HA         3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 524, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  38 ASP  HN        37 LEU  HN         5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 522, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  38 ASP  HA        39 PHE  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 558, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  38 ASP  HA        39 PHE  HN         3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 553, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  38 ASP  HN        39 PHE  HN         5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 553, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  38 ASP  HN        39 PHE  QE         6.64
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2= 563, 567,
 &end
#
#  38 ASP  HN        39 PHE  HA         6.96
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 555, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,  &end
#
#  38 ASP  HA        59 LEU  QD1        6.49
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr2= 853, 854, 855,
 &end
#
#  39 PHE  QE        15 ASN  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 563, 567,
 &end
#
#  39 PHE  QD        15 ASN  HA         6.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 561, 569,
 &end
#
#  39 PHE  HN        25 ARG  HA         6.70
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 339, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,  &end
#
#  39 PHE  HA        26 TRP  HB3        4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 366, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  39 PHE  HA        26 TRP  HB2        6.55
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 365, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  39 PHE  HB2       26 TRP  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 363, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  39 PHE  HB3       26 TRP  HN         6.40
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 361, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  39 PHE  HB3       26 TRP  HB2        5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 365, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  39 PHE  HB2       26 TRP  HB2        5.73
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 365, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,  &end
#
#  39 PHE  HB3       26 TRP  HN         5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 361, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  39 PHE  HN        26 TRP  HN         4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 361, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  39 PHE  HN        26 TRP  HB3        4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 366, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  39 PHE  HN        26 TRP  HB2        5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 365, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  39 PHE  HB2       26 TRP  HN         5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 361, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  39 PHE  HN        26 TRP  HA         5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 363, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  39 PHE  HN        27 HIS  HA         4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 387, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  39 PHE  HN        28 CYS  HN         6.39
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 402, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,  &end
#
#  39 PHE  HN        38 ASP  HB3        5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 546, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  39 PHE  HN        38 ASP  HB2        4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 545, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  39 PHE  HA        40 CYS  HA         6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 575, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,  &end
#
#  39 PHE  HN        40 CYS  HA         5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 575, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  39 PHE  HB3       43 CYS  HA         6.40
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 608, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  39 PHE  HB3       43 CYS  HN         4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 606, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  39 PHE  HB2       43 CYS  HN         5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 606, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  39 PHE  HB3       44 SER  HA         4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 618, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  39 PHE  HB2       44 SER  HB3        4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 621, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  39 PHE  QD        44 SER  HN         6.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 561, 569,
 &end
#
#  39 PHE  HB2       44 SER  HN         5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 616, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  39 PHE  HB3       44 SER  HN         4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 616, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  39 PHE  QE        48 HIS  HB3        6.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 563, 567,
 &end
#
#  39 PHE  QE        48 HIS  HB2        6.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr1= 563, 567,
 &end
#
#  39 PHE  HB3       59 LEU  QD1        5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 853, 854, 855,
 &end
#
#  39 PHE  HB2       59 LEU  QD1        5.98
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr2= 853, 854, 855,
 &end
#
#  39 PHE  QD        59 LEU  QD1        5.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr1= 561, 569,
 igr2= 853, 854, 855,
 &end
#
#  39 PHE  HA        59 LEU  QD1        6.09
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr2= 853, 854, 855,
 &end
#
#  39 PHE  HN        59 LEU  QD1        4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 853, 854, 855,
 &end
#
#  40 CYS  HB2       13 CYS  HB2        5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 182, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  40 CYS  HB3       13 CYS  HB2        5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 182, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  40 CYS  HB2       13 CYS  HB3        5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 181, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  40 CYS  HB3       13 CYS  HB3        6.76
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 181, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,  &end
#
#  40 CYS  HN        13 CYS  HB3        5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 181, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  40 CYS  HN        13 CYS  HB2        4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 182, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  40 CYS  HN        15 ASN  HB2        5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 203, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  40 CYS  HN        15 ASN  HB3        6.16
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 204, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  40 CYS  HB2       18 ILE  QD1        6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 243, 244, 245,
 &end
#
#  40 CYS  HB3       18 ILE  QD1        6.87
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr2= 243, 244, 245,
 &end
#
#  40 CYS  HB2       18 ILE  QG2        4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 236, 237, 238,
 &end
#
#  40 CYS  HB3       18 ILE  QG2        4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 236, 237, 238,
 &end
#
#  40 CYS  HB2       18 ILE  HN         6.54
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 230, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,  &end
#
#  40 CYS  HB2       18 ILE  HB         6.92
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 234, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,  &end
#
#  40 CYS  HB3       18 ILE  HN         6.47
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 230, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,  &end
#
#  40 CYS  HB2       21 ILE  HA         6.29
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 280, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,  &end
#
#  40 CYS  HB3       21 ILE  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 280, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  40 CYS  HB2       21 ILE  HG12       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 288, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  40 CYS  HB2       21 ILE  HG13       6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 289, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  40 CYS  HB3       21 ILE  HG12       6.21
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 288, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
#  40 CYS  HB3       21 ILE  HG13       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 289, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  40 CYS  HB2       21 ILE  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 291, 292, 293,
 &end
#
#  40 CYS  HB2       21 ILE  QG2        4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 284, 285, 286,
 &end
#
#  40 CYS  HB3       21 ILE  QG2        4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 284, 285, 286,
 &end
#
#  40 CYS  HB2       22 GLN  HN         6.21
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 297, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
#  40 CYS  HA        25 ARG  HA         5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 339, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  40 CYS  HA        26 TRP  HB3        5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 366, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  40 CYS  HA        26 TRP  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 365, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  40 CYS  HA        26 TRP  HN         5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 361, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  40 CYS  HB2       39 PHE  HA         6.84
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 555, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,  &end
#
#  40 CYS  HN        39 PHE  QD         5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 561, 569,
 &end
#
#  40 CYS  HN        39 PHE  HB3        4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 558, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  40 CYS  HN        39 PHE  HA         3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 555, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  40 CYS  HN        39 PHE  HN         5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 553, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  40 CYS  HN        39 PHE  HB2        5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 557, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  40 CYS  HA        41 ASP  HA         5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 585, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  40 CYS  HA        41 ASP  HB3        5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 588, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  40 CYS  HB2       41 ASP  HN         3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 583, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  40 CYS  HB3       41 ASP  HA         6.33
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 585, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,  &end
#
#  40 CYS  HB2       41 ASP  HB3        6.67
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 588, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
#  40 CYS  HB3       41 ASP  HB2        6.41
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 587, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,  &end
#
#  40 CYS  HB3       41 ASP  HB3        6.62
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 588, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,  &end
#
#  40 CYS  HN        41 ASP  HN         6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 583, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  40 CYS  HB3       41 ASP  HN         4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 583, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  40 CYS  HB2       42 SER  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 599, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  40 CYS  HN        42 SER  HN         6.39
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 595, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,  &end
#
#  40 CYS  HB3       42 SER  HN         4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 595, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  40 CYS  HB2       42 SER  HN         4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 595, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  40 CYS  HB2       43 CYS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 610, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  40 CYS  HB2       43 CYS  HB2        5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 611, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  40 CYS  HB3       43 CYS  HB3        6.15
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 610, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,  &end
#
#  40 CYS  HB3       43 CYS  HB2        6.84
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 611, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,  &end
#
#  40 CYS  HN        43 CYS  HB3        4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 610, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  40 CYS  HN        43 CYS  HB2        4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 611, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  40 CYS  HN        43 CYS  HN         5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 606, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  40 CYS  HB3       43 CYS  HN         5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 606, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  40 CYS  HB2       43 CYS  HN         5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 606, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  40 CYS  HN        44 SER  HN         6.21
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 616, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
#  41 ASP  HN        24 VAL  QG2        6.21
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr2= 331, 332, 333,
 &end
#
#  41 ASP  HN        24 VAL  HB         6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 325, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  41 ASP  HN        25 ARG  HA         6.47
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 339, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,  &end
#
#  41 ASP  HN        26 TRP  HN         6.87
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 361, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,  &end
#
#  41 ASP  HN        26 TRP  HE1        6.19
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 371, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,  &end
#
#  41 ASP  HN        40 CYS  HA         3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 575, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  41 ASP  HA        42 SER  HA         6.63
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 597, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,  &end
#
#  41 ASP  HN        42 SER  HN         4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 595, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  41 ASP  HN        43 CYS  HN         5.77
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 606, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,  &end
#
#  41 ASP  HN        44 SER  HB3        6.43
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 621, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  42 SER  HN        40 CYS  HA         6.49
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 575, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,  &end
#
#  42 SER  HN        41 ASP  HB3        4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 588, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  42 SER  HA        41 ASP  HB2        6.48
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 587, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,  &end
#
#  42 SER  HA        41 ASP  HB3        6.16
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 588, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  42 SER  HB2       41 ASP  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 587, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  42 SER  HB2       41 ASP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 588, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  42 SER  HB3       41 ASP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 588, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  42 SER  HN        41 ASP  HB2        4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 587, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  42 SER  HN        41 ASP  HA         4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 585, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  42 SER  HB2       43 CYS  HA         4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 608, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  42 SER  HB3       43 CYS  HA         4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 608, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  42 SER  HN        43 CYS  HN         3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 606, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  42 SER  HN        43 CYS  HB3        6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 610, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  42 SER  HN        44 SER  HN         4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 616, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  43 CYS  HB2       15 ASN  HA         6.71
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 201, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#  43 CYS  HB2       15 ASN  HD21       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  43 CYS  HB3       15 ASN  HD21       6.06
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 208, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,  &end
#
#  43 CYS  HB2       15 ASN  HD22       5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 209, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  43 CYS  HB3       15 ASN  HD22       6.12
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 209, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,  &end
#
#  43 CYS  HB3       39 PHE  HA         6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 555, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
#  43 CYS  HB2       39 PHE  HA         5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  43 CYS  HB3       39 PHE  HB3        5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  43 CYS  HB2       39 PHE  HB3        3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 558, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  43 CYS  HB3       39 PHE  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  43 CYS  HB2       39 PHE  HB2        5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 557, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  43 CYS  HB2       39 PHE  HB2        5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 557, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  43 CYS  HB3       39 PHE  QD         6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2= 561, 569,
 &end
#
#  43 CYS  HB2       39 PHE  QD         6.08
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr2= 561, 569,
 &end
#
#  43 CYS  HN        40 CYS  HA         6.23
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 575, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,  &end
#
#  43 CYS  HN        41 ASP  HA         6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 585, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  43 CYS  HN        42 SER  HB3        4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 600, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  43 CYS  HB2       42 SER  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 599, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  43 CYS  HB2       42 SER  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 600, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  43 CYS  HN        42 SER  HA         4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 597, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  43 CYS  HN        42 SER  HB2        4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 599, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  43 CYS  HB3       44 SER  HN         4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 616, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  43 CYS  HN        44 SER  HB2        6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 620, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,  &end
#
#  43 CYS  HN        44 SER  HN         3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 616, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  43 CYS  HN        44 SER  HB3        5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 621, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  43 CYS  HB2       44 SER  HN         4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  43 CYS  HN        44 SER  HA         6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 618, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  43 CYS  HN        45 ASP  HN         5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 627, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  43 CYS  HB3       46 CYS  HB3        6.54
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 644, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,  &end
#
#  43 CYS  HB2       46 CYS  HB3        6.91
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 644, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,  &end
#
#  43 CYS  HB3       46 CYS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 643, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  43 CYS  HB2       46 CYS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 643, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  43 CYS  HB2       46 CYS  HN         6.27
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 639, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,  &end
#
#  43 CYS  HB3       46 CYS  HN         5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 639, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  44 SER  HN        26 TRP  HE1        4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 371, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  44 SER  HN        40 CYS  HA         6.48
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 575, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,  &end
#
#  44 SER  HB2       41 ASP  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 587, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  44 SER  HN        41 ASP  HA         4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 585, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  44 SER  HN        42 SER  HA         5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 597, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  44 SER  HN        42 SER  HB3        6.19
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 600, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,  &end
#
#  44 SER  HN        42 SER  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 599, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  44 SER  HN        43 CYS  HA         4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 608, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  44 SER  HN        46 CYS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 643, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  44 SER  HN        46 CYS  HB3        6.54
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 644, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,  &end
#
#  45 ASP  HN        43 CYS  HA         4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 608, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  45 ASP  HB3       43 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 608, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  45 ASP  HN        44 SER  HB2        5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 620, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  45 ASP  HN        44 SER  HB3        4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 621, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  45 ASP  HN        44 SER  HN         4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 616, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  45 ASP  HB3       46 CYS  HA         5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 641, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  45 ASP  HA        46 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 641, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  45 ASP  HN        46 CYS  HB3        5.99
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 644, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,  &end
#
#  45 ASP  HN        46 CYS  HB2        6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 643, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  46 CYS  HN        43 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 608, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  46 CYS  HB3       43 CYS  HA         5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 644, 608, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  46 CYS  HB2       43 CYS  HA         6.72
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 608, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,  &end
#
#  46 CYS  HN        44 SER  HB3        4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 621, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  46 CYS  HN        44 SER  HN         5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 616, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  46 CYS  HN        45 ASP  HB3        4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 632, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  46 CYS  HN        45 ASP  HA         4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 629, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  46 CYS  HN        45 ASP  HN         3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 627, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  46 CYS  HN        47 LEU  HB3        6.56
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 655, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,  &end
#
#  46 CYS  HN        47 LEU  HB2        5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 654, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  46 CYS  HN        47 LEU  HN         4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 650, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  46 CYS  HN        59 LEU  QD1        6.32
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
 igr2= 853, 854, 855,
 &end
#
#  47 LEU  HB2       46 CYS  HA         4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 641, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  47 LEU  HB3       46 CYS  HA         5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 641, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  47 LEU  HN        46 CYS  HA         4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 641, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  47 LEU  QD1       46 CYS  HA         6.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
 igr1= 659, 660, 661,
 &end
#
#  47 LEU  HN        46 CYS  HB2        3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 643, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  47 LEU  HN        46 CYS  HB3        4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 644, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  47 LEU  QD1       46 CYS  HN         6.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr1= 659, 660, 661,
 &end
#
#  47 LEU  HA        48 HIS  HB3        5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 674, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  47 LEU  HA        48 HIS  HB2        5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 673, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  47 LEU  HA        48 HIS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 671, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  47 LEU  HN        48 HIS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 673, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  47 LEU  HN        48 HIS  HA         6.16
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 671, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  47 LEU  QD1       49 GLU  HG3        6.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
 igr1= 659, 660, 661,
 &end
#
#  47 LEU  QD1       55 GLU  HA         5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 659, 660, 661,
 &end
#
#  47 LEU  QD1       55 GLU  HB3        5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 659, 660, 661,
 &end
#
#  47 LEU  QD1       55 GLU  HB2        5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 659, 660, 661,
 &end
#
#  47 LEU  QD1       55 GLU  HN         5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 659, 660, 661,
 &end
#
#  47 LEU  QD1       56 ASP  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 659, 660, 661,
 &end
#
#  47 LEU  QD1       59 LEU  QD1        4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 659, 660, 661,
 igr2= 853, 854, 855,
 &end
#
#  48 HIS  HN        39 PHE  QE         6.73
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
 igr2= 563, 567,
 &end
#
#  48 HIS  HN        46 CYS  HB2        6.89
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 643, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,  &end
#
#  48 HIS  HN        46 CYS  HB3        6.45
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 644, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,  &end
#
#  48 HIS  HN        47 LEU  HA         3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 652, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  48 HIS  HA        47 LEU  HG         5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 657, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  48 HIS  HA        47 LEU  HG         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 657, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  48 HIS  HA        47 LEU  HB3        6.62
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 655, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,  &end
#
#  48 HIS  HN        47 LEU  HN         4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 650, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  48 HIS  HN        47 LEU  HG         4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 657, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  48 HIS  HN        47 LEU  HB3        4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 655, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  48 HIS  HN        47 LEU  QD1        4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 659, 660, 661,
 &end
#
#  48 HIS  HA        49 GLU  HG2        4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 693, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  48 HIS  HA        49 GLU  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  48 HIS  HA        49 GLU  HB3        5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 691, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  48 HIS  HA        49 GLU  HB2        5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 690, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  48 HIS  HN        49 GLU  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 694, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  48 HIS  HN        49 GLU  HG2        6.95
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 693, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#  48 HIS  HD2       50 THR  QG2        4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 707, 708, 709,
 &end
#
#  48 HIS  HD2       50 THR  HN         6.89
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 701, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,  &end
#
#  48 HIS  HN        53 HIS  HD2        6.66
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 758, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,  &end
#
#  48 HIS  HN        59 LEU  QD1        6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr2= 853, 854, 855,
 &end
#
#  49 GLU  HG2       47 LEU  HG         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 657, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  49 GLU  HG3       47 LEU  HG         6.65
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 657, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,  &end
#
#  49 GLU  HN        48 HIS  HA         3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 671, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#  49 GLU  HA        48 HIS  HB3        5.89
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 674, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,  &end
#
#  49 GLU  HA        48 HIS  HB2        6.20
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 673, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  49 GLU  HN        48 HIS  HB2        4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 673, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  49 GLU  HN        48 HIS  HN         4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 669, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  49 GLU  HN        48 HIS  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 682, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  49 GLU  HN        48 HIS  HB3        4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 674, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  49 GLU  HN        50 THR  QG2        5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr2= 707, 708, 709,
 &end
#
#  49 GLU  HN        50 THR  HA         5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 703, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  49 GLU  HN        50 THR  HN         5.56
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 701, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#  49 GLU  HA        53 HIS  HD2        4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 758, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  49 GLU  HN        53 HIS  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 758, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  49 GLU  HB3       54 LYS  HD2        5.56
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 772, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#  49 GLU  HB2       54 LYS  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 772, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  49 GLU  HB3       54 LYS  HD3        6.08
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 773, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,  &end
#
#  49 GLU  HB2       54 LYS  HD3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 773, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  49 GLU  HA        54 LYS  HA         5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 764, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  49 GLU  HB3       54 LYS  HA         4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 764, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  49 GLU  HB2       54 LYS  HA         4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 764, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  50 THR  QG2       48 HIS  HA         5.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 707, 708, 709,
 &end
#
#  50 THR  QG2       48 HIS  HB3        5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 707, 708, 709,
 &end
#
#  50 THR  HA        49 GLU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  50 THR  HA        49 GLU  HB3        6.68
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 691, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,  &end
#
#  50 THR  HA        49 GLU  HB2        6.40
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 690, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  50 THR  QG2       49 GLU  HA         4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 707, 708, 709,
 &end
#
#  50 THR  HN        49 GLU  HA         3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 688, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  50 THR  HN        49 GLU  HB2        4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 690, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  50 THR  HN        49 GLU  HG3        5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 694, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  50 THR  HN        49 GLU  HG2        5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 693, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  50 THR  HN        49 GLU  HB3        4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 691, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  50 THR  HA        51 ASP  HA         4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 717, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  50 THR  HN        51 ASP  HN         6.28
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 715, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,  &end
#
#  50 THR  HN        52 ILE  HN         4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 727, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  50 THR  QG2       53 HIS  HD2        5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 707, 708, 709,
 &end
#
#  50 THR  HN        53 HIS  HB3        5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 751, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  50 THR  HN        53 HIS  HN         4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 746, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  50 THR  HN        53 HIS  HD2        4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 758, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  50 THR  HN        53 HIS  HB2        4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 750, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  50 THR  HN        53 HIS  HA         5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 748, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  50 THR  HN        54 LYS  HD3        6.16
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 773, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  50 THR  HN        54 LYS  HE3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 776, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  50 THR  HN        54 LYS  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 769, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  50 THR  HN        54 LYS  HE2        6.28
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 775, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,  &end
#
#  50 THR  HN        54 LYS  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 772, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  50 THR  HN        54 LYS  HA         5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 764, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  51 ASP  HN        50 THR  QG2        4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 707, 708, 709,
 &end
#
#  51 ASP  HN        50 THR  HA         3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 703, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  52 ILE  QG2       31 CYS  HB2        4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 733, 734, 735,
 &end
#
#  52 ILE  QG2       31 CYS  HB3        5.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 733, 734, 735,
 &end
#
#  52 ILE  QG2       31 CYS  HA         4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 733, 734, 735,
 &end
#
#  52 ILE  QD1       31 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 740, 741, 742,
 &end
#
#  52 ILE  HB        31 CYS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 446, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  52 ILE  QD1       34 GLU  HG2        6.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1= 740, 741, 742,
 &end
#
#  52 ILE  QG2       35 MET  HG2        5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 733, 734, 735,
 &end
#
#  52 ILE  QG2       35 MET  HG3        6.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr1= 733, 734, 735,
 &end
#
#  52 ILE  HG12      35 MET  HG2        5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 501, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  52 ILE  HG12      35 MET  HG3        6.77
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 502, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,  &end
#
#  52 ILE  HG13      35 MET  HG3        6.44
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 502, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,  &end
#
#  52 ILE  HG12      35 MET  QE         6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr2= 505, 506, 507,
 &end
#
#  52 ILE  HG13      35 MET  QE         5.92
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2= 505, 506, 507,
 &end
#
#  52 ILE  QD1       35 MET  QE         4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 740, 741, 742,
 igr2= 505, 506, 507,
 &end
#
#  52 ILE  QD1       35 MET  HG2        6.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr1= 740, 741, 742,
 &end
#
#  52 ILE  QD1       35 MET  HG3        6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 740, 741, 742,
 &end
#
#  52 ILE  HB        35 MET  QE         5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 505, 506, 507,
 &end
#
#  52 ILE  HN        50 THR  HA         4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 703, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  52 ILE  HN        50 THR  QG2        4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 707, 708, 709,
 &end
#
#  52 ILE  HG12      51 ASP  HB3        5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 720, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  52 ILE  HG12      51 ASP  HB2        6.05
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 719, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  52 ILE  HG13      51 ASP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 720, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  52 ILE  HG13      51 ASP  HB2        6.06
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 719, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,  &end
#
#  52 ILE  HG12      51 ASP  HA         6.87
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 717, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,  &end
#
#  52 ILE  HG13      51 ASP  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 717, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  52 ILE  HG13      51 ASP  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 715, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  52 ILE  QD1       51 ASP  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 740, 741, 742,
 &end
#
#  52 ILE  HA        51 ASP  HB3        6.66
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 720, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,  &end
#
#  52 ILE  HA        51 ASP  HB2        5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 719, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  52 ILE  HB        51 ASP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 720, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  52 ILE  HB        51 ASP  HB2        6.96
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 719, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,  &end
#
#  52 ILE  HA        51 ASP  HA         4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 717, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  52 ILE  HN        51 ASP  HA         4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 717, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  52 ILE  HN        51 ASP  HN         4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 715, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  52 ILE  HN        51 ASP  HB3        4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 720, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  52 ILE  HN        51 ASP  HB2        4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 719, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  52 ILE  QG2       53 HIS  HA         4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 733, 734, 735,
 &end
#
#  52 ILE  QG2       53 HIS  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 733, 734, 735,
 &end
#
#  52 ILE  HB        53 HIS  HA         6.70
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 748, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,  &end
#
#  52 ILE  HN        53 HIS  HA         6.11
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 748, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,  &end
#
#  52 ILE  HN        53 HIS  HN         3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 746, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  52 ILE  QG2       54 LYS  HG2        4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 733, 734, 735,
 &end
#
#  52 ILE  QG2       54 LYS  HG3        5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 733, 734, 735,
 &end
#
#  52 ILE  HN        54 LYS  HE3        4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 776, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  52 ILE  HA        54 LYS  HG2        6.56
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 769, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,  &end
#
#  52 ILE  HA        54 LYS  HG3        6.41
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 770, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,  &end
#
#  52 ILE  HN        54 LYS  HE2        6.12
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 775, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,  &end
#
#  53 HIS  HB2       31 CYS  HB2        5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 446, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  53 HIS  HB2       31 CYS  HB3        6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 445, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  53 HIS  HB3       31 CYS  HB3        5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 445, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  53 HIS  HA        31 CYS  HA         6.34
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 443, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,  &end
#
#  53 HIS  HB2       35 MET  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 501, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  53 HIS  HB3       35 MET  HG2        5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 501, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  53 HIS  HB3       35 MET  HG3        5.94
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 502, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  53 HIS  HN        35 MET  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 505, 506, 507,
 &end
#
#  53 HIS  HB3       37 LEU  HB3        6.97
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 527, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,  &end
#
#  53 HIS  HB2       37 LEU  HG         5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 529, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  53 HIS  HB3       37 LEU  HG         5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 529, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
#  53 HIS  HB3       48 HIS  HB2        6.47
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 673, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,  &end
#
#  53 HIS  HB2       49 GLU  HA         5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 688, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
#  53 HIS  HA        49 GLU  HA         6.36
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 688, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,  &end
#
#  53 HIS  HB2       50 THR  QG2        5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 707, 708, 709,
 &end
#
#  53 HIS  HB3       50 THR  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#  53 HIS  HN        50 THR  QG2        6.58
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
 igr2= 707, 708, 709,
 &end
#
#  53 HIS  HB2       50 THR  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 703, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  53 HIS  HN        50 THR  QG2        4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 707, 708, 709,
 &end
#
#  53 HIS  HN        51 ASP  HB2        5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 719, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  53 HIS  HN        51 ASP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 720, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  53 HIS  HN        51 ASP  HN         5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 715, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  53 HIS  HB2       52 ILE  QG2        5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr2= 733, 734, 735,
 &end
#
#  53 HIS  HB3       52 ILE  QG2        4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 733, 734, 735,
 &end
#
#  53 HIS  HB2       52 ILE  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 731, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  53 HIS  HN        52 ILE  HG13       5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 738, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  53 HIS  HN        52 ILE  HG12       5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 737, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  53 HIS  HN        52 ILE  HA         5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 729, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  53 HIS  HN        52 ILE  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 740, 741, 742,
 &end
#
#  53 HIS  HB3       52 ILE  HN         5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 727, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  53 HIS  HB2       52 ILE  HN         4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 727, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  53 HIS  HN        52 ILE  HB         4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 731, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  53 HIS  HN        54 LYS  HE3        5.77
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 776, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,  &end
#
#  53 HIS  HA        54 LYS  HD2        6.55
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 772, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  53 HIS  HA        54 LYS  HA         6.31
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 764, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,  &end
#
#  53 HIS  HB2       54 LYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 764, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  53 HIS  HN        54 LYS  HE2        4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 775, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  53 HIS  HN        54 LYS  HG2        6.48
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 769, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,  &end
#
#  53 HIS  HA        57 HIS  HE1        5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 820, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  54 LYS  HE2       49 GLU  HB3        5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 691, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  54 LYS  HE2       49 GLU  HB2        6.75
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 690, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,  &end
#
#  54 LYS  HE3       49 GLU  HB3        6.35
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 691, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,  &end
#
#  54 LYS  HE3       49 GLU  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 690, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  54 LYS  HB2       49 GLU  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 693, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  54 LYS  HB3       49 GLU  HG2        5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 693, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  54 LYS  HG3       49 GLU  HB3        6.52
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 691, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,  &end
#
#  54 LYS  HD2       49 GLU  HG2        6.66
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 693, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,  &end
#
#  54 LYS  HD2       49 GLU  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 694, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  54 LYS  HD3       49 GLU  HG2        5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 693, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#  54 LYS  HD3       49 GLU  HG3        6.40
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 694, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,  &end
#
#  54 LYS  HB3       49 GLU  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 688, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  54 LYS  HA        49 GLU  HG2        4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 693, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  54 LYS  HA        49 GLU  HG3        5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 694, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  54 LYS  HE2       51 ASP  HA         6.12
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 717, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,  &end
#
#  54 LYS  HE3       51 ASP  HA         6.36
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 717, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,  &end
#
#  54 LYS  HE2       52 ILE  HA         5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 729, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  54 LYS  HE3       52 ILE  HA         5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 729, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  54 LYS  HG2       53 HIS  HA         4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 748, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  54 LYS  HG3       53 HIS  HA         5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 748, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  54 LYS  HB2       55 GLU  HA         5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 786, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  54 LYS  HB3       55 GLU  HA         5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 786, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  54 LYS  HB3       57 HIS  HB2        6.07
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 815, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#  55 GLU  HB2       47 LEU  HG         5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 657, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  55 GLU  HA        47 LEU  HA         6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 786, 652, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,  &end
#
#  55 GLU  HB3       47 LEU  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 654, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  55 GLU  HB3       47 LEU  HB3        6.75
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 655, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,  &end
#
#  55 GLU  HB2       47 LEU  HA         6.88
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 652, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,  &end
#
#  55 GLU  HN        47 LEU  HG         5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 657, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  55 GLU  HB2       49 GLU  HG3        5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 694, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  55 GLU  HA        49 GLU  HG2        3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 786, 693, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  55 GLU  HA        49 GLU  HG3        6.91
 &rst
  ixpk= 0, nxpk= 0, iat= 786, 694, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,  &end
#
#  55 GLU  HN        49 GLU  HB2        4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 690, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  55 GLU  HN        49 GLU  HG3        6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 694, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  55 GLU  HN        49 GLU  HA         5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 688, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  55 GLU  HN        49 GLU  HG2        4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 693, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  55 GLU  HB3       54 LYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 764, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  55 GLU  HB2       54 LYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 764, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  55 GLU  HB2       54 LYS  HB2        5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 766, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  55 GLU  HA        54 LYS  HA         4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 786, 764, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  55 GLU  HN        54 LYS  HD2        5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 772, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  55 GLU  HN        54 LYS  HD3        4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 773, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  55 GLU  HN        54 LYS  HG3        5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 770, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  55 GLU  HN        54 LYS  HG2        4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 769, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  55 GLU  HN        54 LYS  HB2        4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 766, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  55 GLU  HN        54 LYS  HB3        4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 767, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  55 GLU  HN        54 LYS  HA         3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 764, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  55 GLU  HB3       56 ASP  HA         5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 801, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  55 GLU  HB2       56 ASP  HA         5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 801, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
#  55 GLU  HN        56 ASP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 804, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  55 GLU  HN        56 ASP  HN         3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 799, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  55 GLU  HA        57 HIS  HB2        6.96
 &rst
  ixpk= 0, nxpk= 0, iat= 786, 815, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,  &end
#
#  55 GLU  HB2       57 HIS  HN         5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 811, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  55 GLU  HN        57 HIS  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 823, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  55 GLU  HN        57 HIS  HN         5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 811, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  55 GLU  HB3       58 GLN  HE21       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 839, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  56 ASP  HN        49 GLU  HG2        4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 693, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  56 ASP  HN        49 GLU  HG3        6.82
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 694, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,  &end
#
#  56 ASP  HB2       54 LYS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 767, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  56 ASP  HB2       54 LYS  HG3        6.72
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 770, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,  &end
#
#  56 ASP  HN        54 LYS  HG2        4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 769, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  56 ASP  HN        54 LYS  HG3        5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 770, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  56 ASP  HN        54 LYS  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 767, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  56 ASP  HN        54 LYS  HB2        4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 766, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  56 ASP  HN        54 LYS  HA         5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 764, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  56 ASP  HA        55 GLU  HA         6.29
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 786, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,  &end
#
#  56 ASP  HN        55 GLU  HA         4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 786, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  56 ASP  HN        55 GLU  HB3        4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 789, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  56 ASP  HN        55 GLU  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 788, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  56 ASP  HN        57 HIS  HB3        5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 816, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  56 ASP  HN        57 HIS  HB2        5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 815, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  56 ASP  HN        57 HIS  HN         3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 811, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  56 ASP  HN        57 HIS  HD2        5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 823, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  57 HIS  HB2       28 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 815, 404, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  57 HIS  HB3       29 GLN  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 412, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  57 HIS  HB2       29 GLN  HN         6.49
 &rst
  ixpk= 0, nxpk= 0, iat= 815, 412, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,  &end
#
#  57 HIS  HA        30 ASP  HB3        4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 434, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  57 HIS  HA        30 ASP  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 433, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  57 HIS  HN        30 ASP  HB3        5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 434, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  57 HIS  HN        30 ASP  HB2        5.83
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 433, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  57 HIS  HD2       54 LYS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 767, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  57 HIS  HN        54 LYS  HB3        5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 767, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  57 HIS  HN        54 LYS  HB2        4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 766, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  57 HIS  HN        55 GLU  HA         4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 786, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  57 HIS  HN        56 ASP  HA         4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 801, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  57 HIS  HN        56 ASP  HB3        5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 804, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  57 HIS  HN        56 ASP  HB2        5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 803, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  57 HIS  HA        58 GLN  HG3        6.29
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 835, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,  &end
#
#  57 HIS  HA        58 GLN  HG2        6.98
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 834, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,  &end
#
#  57 HIS  HA        58 GLN  HB2        4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 831, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  57 HIS  HB2       58 GLN  HA         6.26
 &rst
  ixpk= 0, nxpk= 0, iat= 815, 829, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,  &end
#
#  57 HIS  HA        58 GLN  HN         3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 827, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  58 GLN  HN        28 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 404, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  58 GLN  HN        29 GLN  HG3        5.90
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 420, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  58 GLN  HN        29 GLN  HG2        6.17
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 419, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,  &end
#
#  58 GLN  HN        29 GLN  HB2        5.98
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 416, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  58 GLN  HN        29 GLN  HN         6.62
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 412, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,  &end
#
#  58 GLN  HN        29 GLN  HB3        6.97
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 417, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,  &end
#
#  58 GLN  HB2       30 ASP  HA         5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 431, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  58 GLN  HN        30 ASP  HA         6.62
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 431, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,  &end
#
#  58 GLN  HN        30 ASP  HB3        6.88
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 434, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,  &end
#
#  58 GLN  HN        30 ASP  HB2        4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 433, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  58 GLN  HN        57 HIS  HB3        4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 816, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  58 GLN  HN        57 HIS  HB2        5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 815, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  58 GLN  HN        57 HIS  HE1        6.88
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 820, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,  &end
#
#  58 GLN  HN        57 HIS  HN         4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 811, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  58 GLN  HN        57 HIS  HN         5.57
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 811, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  58 GLN  HN        57 HIS  HD2        4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 823, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  58 GLN  HA        59 LEU  HG         5.69
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 851, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  58 GLN  HN        59 LEU  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 846, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  58 GLN  HN        59 LEU  HN         5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 844, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  59 LEU  QD1       26 TRP  HA         5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       26 TRP  HB2        6.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  HB3       26 TRP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 366, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  59 LEU  HB3       26 TRP  HB2        5.86
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 365, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#  59 LEU  HB2       26 TRP  HB2        6.69
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 365, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,  &end
#
#  59 LEU  HB3       26 TRP  HA         6.62
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 363, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,  &end
#
#  59 LEU  QD1       27 HIS  HA         5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       28 CYS  HA         3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       28 CYS  HB2        4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 407, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       28 CYS  HB3        4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       28 CYS  HN         4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  HB3       28 CYS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 404, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  59 LEU  HB2       28 CYS  HA         6.34
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 404, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,  &end
#
#  59 LEU  QD1       29 GLN  HG3        5.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  HA        29 GLN  HG3        5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 420, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  &end
#
#  59 LEU  HA        29 GLN  HG2        5.77
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 419, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,  &end
#
#  59 LEU  HA        29 GLN  HB2        6.48
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 416, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,  &end
#
#  59 LEU  QD1       29 GLN  HN         4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  HN        29 GLN  HG3        5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 420, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  59 LEU  HN        29 GLN  HG2        6.62
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 419, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,  &end
#
#  59 LEU  QD1       30 ASP  HN         5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       37 LEU  HB2        5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       37 LEU  HB3        5.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       39 PHE  QE         5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 853, 854, 855,
 igr2= 563, 567,
 &end
#
#  59 LEU  QD1       44 SER  HB2        4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 620, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       44 SER  HB3        4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       53 HIS  HE1        5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       57 HIS  HB3        5.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       57 HIS  HB2        5.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       57 HIS  HE1        5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  QD1       57 HIS  HD2        5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  HA        58 GLN  HB2        5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 831, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  59 LEU  HB3       58 GLN  HA         6.23
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 829, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,  &end
#
#  59 LEU  HB2       58 GLN  HA         5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 829, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  59 LEU  QD1       58 GLN  HA         4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  HN        58 GLN  HA         3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 829, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  59 LEU  HA        58 GLN  HA         5.55
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 829, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,  &end
#
#  59 LEU  HN        58 GLN  HG2        5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 834, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  59 LEU  HN        58 GLN  HE22       6.55
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 840, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  59 LEU  QD1       58 GLN  HN         6.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
 igr1= 853, 854, 855,
 &end
#
#  59 LEU  HN        58 GLN  HG3        5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 835, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  59 LEU  HN        58 GLN  HB2        4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 831, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  59 LEU  QD1       60 GLU  HN         4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 853, 854, 855,
 &end
#
#  60 GLU  HB2       26 TRP  HA         6.25
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 363, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,  &end
#
#  60 GLU  HB3       26 TRP  HA         6.88
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 363, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,  &end
#
#  60 GLU  HN        26 TRP  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 363, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  60 GLU  HN        26 TRP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 366, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  60 GLU  HN        26 TRP  HB2        5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 365, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  60 GLU  HG2       27 HIS  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 390, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  60 GLU  HG2       27 HIS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 389, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  60 GLU  HG3       27 HIS  HB3        5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  60 GLU  HG3       27 HIS  HB2        6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 389, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  &end
#
#  60 GLU  HB3       27 HIS  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 387, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  60 GLU  HN        27 HIS  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 389, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  60 GLU  HN        27 HIS  HB3        5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 390, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  60 GLU  HG3       27 HIS  HN         6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 385, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,  &end
#
#  60 GLU  HG2       27 HIS  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 385, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  60 GLU  HN        27 HIS  HA         6.49
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 387, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,  &end
#
#  60 GLU  HN        28 CYS  HA         4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 404, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  60 GLU  HG2       29 GLN  HG2        4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 419, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  60 GLU  HG3       29 GLN  HG2        4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 419, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  60 GLU  HB2       29 GLN  HA         5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 414, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  60 GLU  HB2       29 GLN  HG3        5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 420, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  60 GLU  HB2       29 GLN  HG2        5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 419, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
#  60 GLU  HB3       29 GLN  HG3        6.13
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 420, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,  &end
#
#  60 GLU  HB3       29 GLN  HG2        6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 419, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  60 GLU  HN        29 GLN  HA         6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 414, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  60 GLU  HG3       29 GLN  HE21       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 424, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  60 GLU  HN        29 GLN  HG2        5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 419, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  60 GLU  HN        29 GLN  HN         5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 412, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  60 GLU  HN        29 GLN  HG3        5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 420, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  60 GLU  HB2       59 LEU  HA         5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 846, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  60 GLU  HB3       59 LEU  HA         5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 846, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  60 GLU  HG2       59 LEU  HA         6.74
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 846, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,  &end
#
#  60 GLU  HN        59 LEU  HB2        5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 848, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  60 GLU  HN        59 LEU  HB3        5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 849, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  60 GLU  HN        59 LEU  HN         5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 844, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  60 GLU  HN        59 LEU  HA         3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 846, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  60 GLU  HG2       61 PRO  HD3        6.64
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 880, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,  &end
#
#  60 GLU  HG2       61 PRO  HD2        4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 879, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  60 GLU  HG3       61 PRO  HD3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  60 GLU  HG3       61 PRO  HD2        6.32
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 879, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,  &end
#
#  60 GLU  HB2       61 PRO  HD3        5.61
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 880, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,  &end
#
#  60 GLU  HB2       61 PRO  HD2        4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 879, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  60 GLU  HB3       61 PRO  HD3        6.41
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 880, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,  &end
#
#  60 GLU  HB3       61 PRO  HD2        4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 879, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  60 GLU  HA        61 PRO  HG2        4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 882, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  60 GLU  HA        61 PRO  HG3        6.75
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 883, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,  &end
#
#  60 GLU  HA        61 PRO  HB3        6.71
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 886, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#  60 GLU  HN        61 PRO  HD2        6.75
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 879, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,  &end
#
#  60 GLU  HN        61 PRO  HD3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 880, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  60 GLU  HG2       62 ILE  HG12       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 902, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  60 GLU  HG3       62 ILE  HG13       6.55
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 903, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  60 GLU  HG3       62 ILE  HG12       6.25
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 902, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,  &end
#
#  60 GLU  HG2       62 ILE  QD1        5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 905, 906, 907,
 &end
#
#  60 GLU  HG3       62 ILE  QD1        4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 905, 906, 907,
 &end
#
#  60 GLU  HB2       62 ILE  HG13       6.31
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 903, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,  &end
#
#  60 GLU  HB2       62 ILE  HG12       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 867, 902, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  60 GLU  HB2       62 ILE  QD1        6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr2= 905, 906, 907,
 &end
#
#  60 GLU  HB3       62 ILE  QD1        5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 905, 906, 907,
 &end
#
#  60 GLU  HN        62 ILE  QD1        6.23
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
 igr2= 905, 906, 907,
 &end
#
#  60 GLU  HN        62 ILE  HG13       6.41
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 903, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,  &end
#
#  61 PRO  HA        26 TRP  HA         3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 363, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  61 PRO  QD        26 TRP  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 879, 880,
 &end
#
#  61 PRO  HD3       59 LEU  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 848, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  61 PRO  HD2       59 LEU  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 848, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  61 PRO  HD3       60 GLU  HA         3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 865, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  61 PRO  HD2       60 GLU  HA         3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 865, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  61 PRO  HA        62 ILE  HB         5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 896, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  61 PRO  HG2       63 TYR  QE         6.65
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr2= 921, 926,
 &end
#
#  61 PRO  HG3       63 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 921, 926,
 &end
#
#  62 ILE  HN        24 VAL  QG2        4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 331, 332, 333,
 &end
#
#  62 ILE  HG13      24 VAL  QG1        6.59
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr2= 327, 328, 329,
 &end
#
#  62 ILE  HN        24 VAL  QG1        5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 327, 328, 329,
 &end
#
#  62 ILE  HN        24 VAL  HA         5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 323, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  62 ILE  HN        25 ARG  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 339, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  62 ILE  HN        25 ARG  HN         4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 337, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  62 ILE  HG13      26 TRP  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 363, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  62 ILE  HG12      26 TRP  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 902, 363, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  62 ILE  HN        26 TRP  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 361, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  62 ILE  HN        26 TRP  HA         4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 363, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  62 ILE  HN        26 TRP  HB2        6.16
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 365, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  62 ILE  QD1       27 HIS  HD2        6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 905, 906, 907,
 &end
#
#  62 ILE  HN        27 HIS  HN         6.57
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 385, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,  &end
#
#  62 ILE  HA        61 PRO  HA         6.15
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 888, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,  &end
#
#  62 ILE  HG13      61 PRO  HA         6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 888, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,  &end
#
#  62 ILE  HG12      61 PRO  HA         6.61
 &rst
  ixpk= 0, nxpk= 0, iat= 902, 888, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,  &end
#
#  62 ILE  HN        61 PRO  HA         3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 888, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  62 ILE  HN        61 PRO  HB3        4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 886, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  62 ILE  HN        61 PRO  HB2        4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 885, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  62 ILE  HN        61 PRO  HG2        6.92
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 882, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,  &end
#
#  62 ILE  HN        61 PRO  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 883, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  62 ILE  HA        63 TYR  HB2        6.43
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 915, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,  &end
#
#  62 ILE  HA        63 TYR  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 916, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  62 ILE  HA        63 TYR  HA         5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 913, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
#  62 ILE  HA        63 TYR  HN         3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 911, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  62 ILE  QG2       63 TYR  HB2        6.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
 igr1= 898, 899, 900,
 &end
#
#  62 ILE  HN        63 TYR  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 911, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  62 ILE  HN        63 TYR  QD         5.52
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 919, 928,
 &end
#
#  62 ILE  QG2       64 ARG  HA         5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 898, 899, 900,
 &end
#
#  62 ILE  QG2       64 ARG  HB3        6.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr1= 898, 899, 900,
 &end
#
#  62 ILE  QG2       64 ARG  HB2        6.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1= 898, 899, 900,
 &end
#
#  63 TYR  HA         3 LEU  QD2        6.76
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62,
 igr2=  38,  39,  40,
 &end
#
#  63 TYR  QD        24 VAL  HA         6.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
 igr1= 919, 928,
 &end
#
#  63 TYR  QD        24 VAL  QG2        5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 919, 928,
 igr2= 331, 332, 333,
 &end
#
#  63 TYR  QD        24 VAL  QG1        4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 919, 928,
 igr2= 327, 328, 329,
 &end
#
#  63 TYR  HN        24 VAL  HA         5.66
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 323, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  &end
#
#  63 TYR  HN        24 VAL  QG2        6.33
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr2= 331, 332, 333,
 &end
#
#  63 TYR  HN        24 VAL  QG1        5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 327, 328, 329,
 &end
#
#  63 TYR  QD        25 ARG  HN         5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 919, 928,
 &end
#
#  63 TYR  QD        61 PRO  HB2        6.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 919, 928,
 &end
#
#  63 TYR  QD        61 PRO  HB3        6.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1= 919, 928,
 &end
#
#  63 TYR  QD        61 PRO  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 919, 928,
 &end
#
#  63 TYR  QD        61 PRO  HG3        6.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
 igr1= 919, 928,
 &end
#
#  63 TYR  QD        61 PRO  HA         5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 919, 928,
 &end
#
#  63 TYR  HN        61 PRO  HB3        6.55
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 886, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  63 TYR  QD        62 ILE  QG2        4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 919, 928,
 igr2= 898, 899, 900,
 &end
#
#  63 TYR  QD        62 ILE  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 919, 928,
 &end
#
#  63 TYR  HN        62 ILE  QG2        3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 898, 899, 900,
 &end
#
#  63 TYR  HN        62 ILE  HB         5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 896, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
#  63 TYR  HN        62 ILE  HG12       5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 902, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
#  63 TYR  HN        62 ILE  HG13       6.29
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 903, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,  &end
#
#  63 TYR  QD        64 ARG  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 919, 928,
 &end
#
#  63 TYR  HB2       64 ARG  HA         6.74
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 934, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,  &end
#
#  63 TYR  HB3       64 ARG  HA         4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 934, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  63 TYR  HB2       64 ARG  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 940, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  63 TYR  HB3       64 ARG  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 939, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  63 TYR  HB2       64 ARG  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 937, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  63 TYR  HA        64 ARG  HA         5.79
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 934, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,  &end
#
#  63 TYR  QD        64 ARG  HN         4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 919, 928,
 &end
#
#  64 ARG  HN         2 PRO  HA         6.70
 &rst
  ixpk= 0, nxpk= 0, iat= 932,  21, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,  &end
#
#  64 ARG  HN        24 VAL  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 331, 332, 333,
 &end
#
#  64 ARG  HN        62 ILE  QG2        3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 898, 899, 900,
 &end
#
#  64 ARG  HN        62 ILE  QD1        6.47
 &rst
  ixpk= 0, nxpk= 0, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
 igr2= 905, 906, 907,
 &end
#
#  64 ARG  HN        62 ILE  HA         4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 894, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  64 ARG  HN        63 TYR  HB3        6.13
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 916, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,  &end
#
#  64 ARG  HN        63 TYR  HA         3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 913, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  64 ARG  HN        63 TYR  HB2        4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 915, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  64 ARG  HN        63 TYR  HN         3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 911, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
# Restraints file 2: ang.rst
# 1157 atoms read from pdb file zzz3_1.pdb.
# 7 GLN PHI:  (6 VAL C)-(7 GLN N)-(7 GLN CA)-(7 GLN C) -160.0 -60.0
 &rst     iat =    75,    77,    79,    92,
	  r1 = -161.0, r2 = -160.0, r3 = -60.0, r4 = -59.0,
	  rk2=50.0, rk3=50.0,				&end

# 7 GLN PSI:  (7 GLN N)-(7 GLN CA)-(7 GLN C)-(8 HIS N)  90.0 160.0
 &rst     iat =    77,    79,    92,    94,
	  r1 =  89.0, r2 =  90.0, r3 = 160.0, r4 = 161.0,
	&end

# 8 HIS PHI:  (7 GLN C)-(8 HIS N)-(8 HIS CA)-(8 HIS C) -170.0 -40.0
 &rst     iat =    92,    94,    96,   109,
	  r1 = -171.0, r2 = -170.0, r3 = -40.0, r4 = -39.0,
	&end

# 11 PHE PHI:  (10 GLY C)-(11 PHE N)-(11 PHE CA)-(11 PHE C) -170.0 -80.0
 &rst     iat =   132,   134,   136,   152,
	  r1 = -171.0, r2 = -170.0, r3 = -80.0, r4 = -79.0,
	&end

# 11 PHE PSI:  (11 PHE N)-(11 PHE CA)-(11 PHE C)-(12 LYS N) 100.0 180.0
 &rst     iat =   134,   136,   152,   154,
	  r1 =  99.0, r2 = 100.0, r3 = 180.0, r4 = 181.0,
	&end

# 12 LYS PHI:  (11 PHE C)-(12 LYS N)-(12 LYS CA)-(12 LYS C) -170.0 -80.0
 &rst     iat =   152,   154,   156,   174,
	  r1 = -171.0, r2 = -170.0, r3 = -80.0, r4 = -79.0,
	&end

# 12 LYS PSI:  (12 LYS N)-(12 LYS CA)-(12 LYS C)-(13 CYS N) 110.0 180.0
 &rst     iat =   154,   156,   174,   176,
	  r1 = 109.0, r2 = 110.0, r3 = 180.0, r4 = 181.0,
	&end

# 13 CYS PHI:  (12 LYS C)-(13 CYS N)-(13 CYS CA)-(13 CYS C) -140.0 -50.0
 &rst     iat =   174,   176,   178,   184,
	  r1 = -141.0, r2 = -140.0, r3 = -50.0, r4 = -49.0,
	&end

# 13 CYS PSI:  (13 CYS N)-(13 CYS CA)-(13 CYS C)-(14 ASP N) 100.0 160.0
 &rst     iat =   176,   178,   184,   186,
	  r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
	&end

# 18 ILE PHI:  (17 GLY C)-(18 ILE N)-(18 ILE CA)-(18 ILE C) -100.0 -40.0
 &rst     iat =   227,   229,   231,   246,
	  r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
	&end

# 18 ILE PSI:  (18 ILE N)-(18 ILE CA)-(18 ILE C)-(19 GLU N)  90.0 180.0
 &rst     iat =   229,   231,   246,   248,
	  r1 =  89.0, r2 =  90.0, r3 = 180.0, r4 = 181.0,
	&end

# 19 GLU PHI:  (18 ILE C)-(19 GLU N)-(19 GLU CA)-(19 GLU C) -180.0 -60.0
 &rst     iat =   246,   248,   250,   261,
	  r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
	&end

# 20 PRO PSI:  (20 PRO N)-(20 PRO CA)-(20 PRO C)-(21 ILE N) 100.0 180.0
 &rst     iat =   263,   273,   275,   277,
	  r1 =  99.0, r2 = 100.0, r3 = 180.0, r4 = 181.0,
	&end

# 21 ILE PHI:  (20 PRO C)-(21 ILE N)-(21 ILE CA)-(21 ILE C) -150.0 -70.0
 &rst     iat =   275,   277,   279,   294,
	  r1 = -151.0, r2 = -150.0, r3 = -70.0, r4 = -69.0,
	&end

# 21 ILE PSI:  (21 ILE N)-(21 ILE CA)-(21 ILE C)-(22 GLN N)  90.0 160.0
 &rst     iat =   277,   279,   294,   296,
	  r1 =  89.0, r2 =  90.0, r3 = 160.0, r4 = 161.0,
	&end

# 22 GLN PHI:  (21 ILE C)-(22 GLN N)-(22 GLN CA)-(22 GLN C) -160.0 -80.0
 &rst     iat =   294,   296,   298,   311,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 22 GLN PSI:  (22 GLN N)-(22 GLN CA)-(22 GLN C)-(23 GLY N) 100.0 170.0
 &rst     iat =   296,   298,   311,   313,
	  r1 =  99.0, r2 = 100.0, r3 = 170.0, r4 = 171.0,
	&end

# 24 VAL PHI:  (23 GLY C)-(24 VAL N)-(24 VAL CA)-(24 VAL C) -150.0 -60.0
 &rst     iat =   318,   320,   322,   334,
	  r1 = -151.0, r2 = -150.0, r3 = -60.0, r4 = -59.0,
	&end

# 24 VAL PSI:  (24 VAL N)-(24 VAL CA)-(24 VAL C)-(25 ARG N) 100.0 180.0
 &rst     iat =   320,   322,   334,   336,
	  r1 =  99.0, r2 = 100.0, r3 = 180.0, r4 = 181.0,
	&end

# 25 ARG PHI:  (24 VAL C)-(25 ARG N)-(25 ARG CA)-(25 ARG C) -150.0 -70.0
 &rst     iat =   334,   336,   338,   358,
	  r1 = -151.0, r2 = -150.0, r3 = -70.0, r4 = -69.0,
	&end

# 25 ARG PSI:  (25 ARG N)-(25 ARG CA)-(25 ARG C)-(26 TRP N)  90.0 160.0
 &rst     iat =   336,   338,   358,   360,
	  r1 =  89.0, r2 =  90.0, r3 = 160.0, r4 = 161.0,
	&end

# 26 TRP PHI:  (25 ARG C)-(26 TRP N)-(26 TRP CA)-(26 TRP C) -150.0 -90.0
 &rst     iat =   358,   360,   362,   382,
	  r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
	&end

# 26 TRP PSI:  (26 TRP N)-(26 TRP CA)-(26 TRP C)-(27 HIS N)  90.0 170.0
 &rst     iat =   360,   362,   382,   384,
	  r1 =  89.0, r2 =  90.0, r3 = 170.0, r4 = 171.0,
	&end

# 27 HIS PHI:  (26 TRP C)-(27 HIS N)-(27 HIS CA)-(27 HIS C) -160.0 -70.0
 &rst     iat =   382,   384,   386,   399,
	  r1 = -161.0, r2 = -160.0, r3 = -70.0, r4 = -69.0,
	&end

# 27 HIS PSI:  (27 HIS N)-(27 HIS CA)-(27 HIS C)-(28 CYS N)  90.0 160.0
 &rst     iat =   384,   386,   399,   401,
	  r1 =  89.0, r2 =  90.0, r3 = 160.0, r4 = 161.0,
	&end

# 28 CYS PHI:  (27 HIS C)-(28 CYS N)-(28 CYS CA)-(28 CYS C) -100.0 -40.0
 &rst     iat =   399,   401,   403,   409,
	  r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
	&end

# 28 CYS PSI:  (28 CYS N)-(28 CYS CA)-(28 CYS C)-(29 GLN N)  90.0 160.0
 &rst     iat =   401,   403,   409,   411,
	  r1 =  89.0, r2 =  90.0, r3 = 160.0, r4 = 161.0,
	&end

# 37 LEU PSI:  (37 LEU N)-(37 LEU CA)-(37 LEU C)-(38 ASP N) 100.0 160.0
 &rst     iat =   521,   523,   538,   540,
	  r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
	&end

# 38 ASP PHI:  (37 LEU C)-(38 ASP N)-(38 ASP CA)-(38 ASP C) -160.0 -90.0
 &rst     iat =   538,   540,   542,   550,
	  r1 = -161.0, r2 = -160.0, r3 = -90.0, r4 = -89.0,
	&end

# 38 ASP PSI:  (38 ASP N)-(38 ASP CA)-(38 ASP C)-(39 PHE N) 110.0 180.0
 &rst     iat =   540,   542,   550,   552,
	  r1 = 109.0, r2 = 110.0, r3 = 180.0, r4 = 181.0,
	&end

# 39 PHE PHI:  (38 ASP C)-(39 PHE N)-(39 PHE CA)-(39 PHE C) -160.0 -90.0
 &rst     iat =   550,   552,   554,   570,
	  r1 = -161.0, r2 = -160.0, r3 = -90.0, r4 = -89.0,
	&end

# 39 PHE PSI:  (39 PHE N)-(39 PHE CA)-(39 PHE C)-(40 CYS N) 110.0 180.0
 &rst     iat =   552,   554,   570,   572,
	  r1 = 109.0, r2 = 110.0, r3 = 180.0, r4 = 181.0,
	&end

# 40 CYS PHI:  (39 PHE C)-(40 CYS N)-(40 CYS CA)-(40 CYS C) -110.0 -40.0
 &rst     iat =   570,   572,   574,   580,
	  r1 = -111.0, r2 = -110.0, r3 = -40.0, r4 = -39.0,
	&end

# 40 CYS PSI:  (40 CYS N)-(40 CYS CA)-(40 CYS C)-(41 ASP N) 120.0 180.0
 &rst     iat =   572,   574,   580,   582,
	  r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
	&end

# 41 ASP PHI:  (40 CYS C)-(41 ASP N)-(41 ASP CA)-(41 ASP C) -80.0 -40.0
 &rst     iat =   580,   582,   584,   592,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end

# 41 ASP PSI:  (41 ASP N)-(41 ASP CA)-(41 ASP C)-(42 SER N) -70.0 -10.0
 &rst     iat =   582,   584,   592,   594,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end

# 42 SER PHI:  (41 ASP C)-(42 SER N)-(42 SER CA)-(42 SER C) -90.0 -40.0
 &rst     iat =   592,   594,   596,   603,
	  r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
	&end

# 42 SER PSI:  (42 SER N)-(42 SER CA)-(42 SER C)-(43 CYS N) -70.0 -10.0
 &rst     iat =   594,   596,   603,   605,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end

# 43 CYS PHI:  (42 SER C)-(43 CYS N)-(43 CYS CA)-(43 CYS C) -110.0 -40.0
 &rst     iat =   603,   605,   607,   613,
	  r1 = -111.0, r2 = -110.0, r3 = -40.0, r4 = -39.0,
	&end

# 43 CYS PSI:  (43 CYS N)-(43 CYS CA)-(43 CYS C)-(44 SER N) -70.0 -20.0
 &rst     iat =   605,   607,   613,   615,
	  r1 = -71.0, r2 = -70.0, r3 = -20.0, r4 = -19.0,
	&end

# 44 SER PHI:  (43 CYS C)-(44 SER N)-(44 SER CA)-(44 SER C) -100.0 -40.0
 &rst     iat =   613,   615,   617,   624,
	  r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
	&end

# 44 SER PSI:  (44 SER N)-(44 SER CA)-(44 SER C)-(45 ASP N) -60.0  10.0
 &rst     iat =   615,   617,   624,   626,
	  r1 = -61.0, r2 = -60.0, r3 =  10.0, r4 =  11.0,
	&end

# 45 ASP PHI:  (44 SER C)-(45 ASP N)-(45 ASP CA)-(45 ASP C) -120.0 -40.0
 &rst     iat =   624,   626,   628,   636,
	  r1 = -121.0, r2 = -120.0, r3 = -40.0, r4 = -39.0,
	&end

# 45 ASP PSI:  (45 ASP N)-(45 ASP CA)-(45 ASP C)-(46 CYS N) -50.0  20.0
 &rst     iat =   626,   628,   636,   638,
	  r1 = -51.0, r2 = -50.0, r3 =  20.0, r4 =  21.0,
	&end

# 48 HIS PSI:  (48 HIS N)-(48 HIS CA)-(48 HIS C)-(49 GLU N)  90.0 160.0
 &rst     iat =   668,   670,   683,   685,
	  r1 =  89.0, r2 =  90.0, r3 = 160.0, r4 = 161.0,
	&end

# 49 GLU PHI:  (48 HIS C)-(49 GLU N)-(49 GLU CA)-(49 GLU C) -150.0 -80.0
 &rst     iat =   683,   685,   687,   698,
	  r1 = -151.0, r2 = -150.0, r3 = -80.0, r4 = -79.0,
	&end

# 49 GLU PSI:  (49 GLU N)-(49 GLU CA)-(49 GLU C)-(50 THR N) 100.0 170.0
 &rst     iat =   685,   687,   698,   700,
	  r1 =  99.0, r2 = 100.0, r3 = 170.0, r4 = 171.0,
	&end

# 50 THR PHI:  (49 GLU C)-(50 THR N)-(50 THR CA)-(50 THR C) -180.0 -80.0
 &rst     iat =   698,   700,   702,   712,
	  r1 = -181.0, r2 = -180.0, r3 = -80.0, r4 = -79.0,
	&end

# 53 HIS PHI:  (52 ILE C)-(53 HIN N)-(53 HIN CA)-(53 HIN C) -140.0 -40.0
 &rst     iat =   743,   745,   747,   759,
	  r1 = -141.0, r2 = -140.0, r3 = -40.0, r4 = -39.0,
	&end

# 53 HIS PSI:  (53 HIN N)-(53 HIN CA)-(53 HIN C)-(54 LYS N)  80.0 170.0
 &rst     iat =   745,   747,   759,   761,
	  r1 =  79.0, r2 =  80.0, r3 = 170.0, r4 = 171.0,
	&end

# 54 LYS PHI:  (53 HIN C)-(54 LYS N)-(54 LYS CA)-(54 LYS C) -170.0 -90.0
 &rst     iat =   759,   761,   763,   781,
	  r1 = -171.0, r2 = -170.0, r3 = -90.0, r4 = -89.0,
	&end

# 58 GLN PHI:  (57 HIN C)-(58 GLN N)-(58 GLN CA)-(58 GLN C) -150.0 -60.0
 &rst     iat =   824,   826,   828,   841,
	  r1 = -151.0, r2 = -150.0, r3 = -60.0, r4 = -59.0,
	&end

# 58 GLN PSI:  (58 GLN N)-(58 GLN CA)-(58 GLN C)-(59 LEU N)  90.0 170.0
 &rst     iat =   826,   828,   841,   843,
	  r1 =  89.0, r2 =  90.0, r3 = 170.0, r4 = 171.0,
	&end

# 59 LEU PHI:  (58 GLN C)-(59 LEU N)-(59 LEU CA)-(59 LEU C) -150.0 -90.0
 &rst     iat =   841,   843,   845,   860,
	  r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
	&end

# 59 LEU PSI:  (59 LEU N)-(59 LEU CA)-(59 LEU C)-(60 GLU N) 100.0 170.0
 &rst     iat =   843,   845,   860,   862,
	  r1 =  99.0, r2 = 100.0, r3 = 170.0, r4 = 171.0,
	&end

# 60 GLU PHI:  (59 LEU C)-(60 GLU N)-(60 GLU CA)-(60 GLU C) -160.0 -70.0
 &rst     iat =   860,   862,   864,   875,
	  r1 = -161.0, r2 = -160.0, r3 = -70.0, r4 = -69.0,
	&end

# 60 GLU PSI:  (60 GLU N)-(60 GLU CA)-(60 GLU C)-(61 PRO N) 100.0 170.0
 &rst     iat =   862,   864,   875,   877,
	  r1 =  99.0, r2 = 100.0, r3 = 170.0, r4 = 171.0,
	&end

# 61 PRO PHI:  (60 GLU C)-(61 PRO N)-(61 PRO CA)-(61 PRO C) -100.0 -50.0
 &rst     iat =   875,   877,   887,   889,
	  r1 = -101.0, r2 = -100.0, r3 = -50.0, r4 = -49.0,
	&end

# 61 PRO PSI:  (61 PRO N)-(61 PRO CA)-(61 PRO C)-(62 ILE N) 100.0 170.0
 &rst     iat =   877,   887,   889,   891,
	  r1 =  99.0, r2 = 100.0, r3 = 170.0, r4 = 171.0,
	&end

#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2=150., rk3=150.,  &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=20,14,18,19, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=17,11,15,16, &end
#
#  chirality for residue 2 atoms:  CG N HD2 HD3
 &rst iat=14,10,12,13, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,22,21,17, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=26,31,29,30, &end
#
#  chirality for residue 3 atoms:  CB CD1 CD2 HG
 &rst iat=28,33,37,32, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=24,41,27,28, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=43,48,46,47, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 6 atoms:  CA CG1 CG2 HB
 &rst iat=63,67,71,66, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=61,75,64,65, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=79,84,82,83, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=81,87,85,86, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=77,92,80,81, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=96,101,99,100, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=94,109,97,98, &end
#
#  chirality for residue 9 atoms:  CA CG1 CG2 HB
 &rst iat=113,117,121,116, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=111,125,114,115, &end
#
#  chirality for residue 10 atoms:  N C HA2 HA3
 &rst iat=127,132,130,131, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=136,141,139,140, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=134,152,137,138, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=156,161,159,160, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=158,164,162,163, &end
#
#  chirality for residue 12 atoms:  CD NZ HE2 HE3
 &rst iat=164,170,168,169, &end
#
#  chirality for residue 12 atoms:  CG CE HD2 HD3
 &rst iat=161,167,165,166, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=154,174,157,158, &end
#
#  chirality for residue 13 atoms:  CA SG HB2 HB3
 &rst iat=178,183,182,181, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=176,184,179,180, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=188,193,191,192, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=186,196,189,190, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=200,205,203,204, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=198,210,201,202, &end
#
#  chirality for residue 16 atoms:  CA SG HB2 HB3
 &rst iat=214,219,218,217, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=212,220,215,216, &end
#
#  chirality for residue 17 atoms:  N C HA2 HA3
 &rst iat=222,227,225,226, &end
#
#  chirality for residue 18 atoms:  CA CG2 CG1 HB
 &rst iat=231,235,239,234, &end
#
#  chirality for residue 18 atoms:  CB CD1 HG12 HG13
 &rst iat=233,242,240,241, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=229,246,232,233, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=250,255,253,254, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=252,258,256,257, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=248,261,251,252, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=273,267,271,272, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=270,264,268,269, &end
#
#  chirality for residue 20 atoms:  CG N HD2 HD3
 &rst iat=267,263,265,266, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=263,275,274,270, &end
#
#  chirality for residue 21 atoms:  CA CG2 CG1 HB
 &rst iat=279,283,287,282, &end
#
#  chirality for residue 21 atoms:  CB CD1 HG12 HG13
 &rst iat=281,290,288,289, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=277,294,280,281, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=298,303,301,302, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=300,306,304,305, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=296,311,299,300, &end
#
#  chirality for residue 23 atoms:  N C HA2 HA3
 &rst iat=313,318,316,317, &end
#
#  chirality for residue 24 atoms:  CA CG1 CG2 HB
 &rst iat=322,326,330,325, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=320,334,323,324, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=338,343,341,342, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=340,346,344,345, &end
#
#  chirality for residue 25 atoms:  CG NE HD2 HD3
 &rst iat=343,349,347,348, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=336,358,339,340, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=362,367,365,366, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=360,382,363,364, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=386,391,389,390, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=384,399,387,388, &end
#
#  chirality for residue 28 atoms:  CA SG HB2 HB3
 &rst iat=403,408,407,406, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=401,409,404,405, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=413,418,416,417, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=415,421,419,420, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=411,426,414,415, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=430,435,433,434, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=428,438,431,432, &end
#
#  chirality for residue 31 atoms:  CA SG HB2 HB3
 &rst iat=442,447,446,445, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=440,448,443,444, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=460,454,458,459, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=457,451,455,456, &end
#
#  chirality for residue 32 atoms:  CG N HD2 HD3
 &rst iat=454,450,452,453, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=450,462,461,457, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=474,468,472,473, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=471,465,469,470, &end
#
#  chirality for residue 33 atoms:  CG N HD2 HD3
 &rst iat=468,464,466,467, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=464,476,475,471, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=480,485,483,484, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=482,488,486,487, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=478,491,481,482, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=495,500,498,499, &end
#
#  chirality for residue 35 atoms:  CB SD HG2 HG3
 &rst iat=497,503,501,502, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=493,508,496,497, &end
#
#  chirality for residue 36 atoms:  CA OG HB2 HB3
 &rst iat=512,517,515,516, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=510,519,513,514, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=523,528,526,527, &end
#
#  chirality for residue 37 atoms:  CB CD1 CD2 HG
 &rst iat=525,530,534,529, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=521,538,524,525, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=542,547,545,546, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=540,550,543,544, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=554,559,557,558, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=552,570,555,556, &end
#
#  chirality for residue 40 atoms:  CA SG HB2 HB3
 &rst iat=574,579,578,577, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=572,580,575,576, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=584,589,587,588, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=582,592,585,586, &end
#
#  chirality for residue 42 atoms:  CA OG HB2 HB3
 &rst iat=596,601,599,600, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=594,603,597,598, &end
#
#  chirality for residue 43 atoms:  CA SG HB2 HB3
 &rst iat=607,612,611,610, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=605,613,608,609, &end
#
#  chirality for residue 44 atoms:  CA OG HB2 HB3
 &rst iat=617,622,620,621, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=615,624,618,619, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=628,633,631,632, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=626,636,629,630, &end
#
#  chirality for residue 46 atoms:  CA SG HB2 HB3
 &rst iat=640,645,643,644, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=638,647,641,642, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=651,656,654,655, &end
#
#  chirality for residue 47 atoms:  CB CD1 CD2 HG
 &rst iat=653,658,662,657, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=649,666,652,653, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=670,675,673,674, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=668,683,671,672, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=687,692,690,691, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=689,695,693,694, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=685,698,688,689, &end
#
#  chirality for residue 50 atoms:  CA CG2 OG1 HB
 &rst iat=702,706,710,705, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=700,712,703,704, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=716,721,719,720, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=714,724,717,718, &end
#
#  chirality for residue 52 atoms:  CA CG2 CG1 HB
 &rst iat=728,732,736,731, &end
#
#  chirality for residue 52 atoms:  CB CD1 HG12 HG13
 &rst iat=730,739,737,738, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=726,743,729,730, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=763,768,766,767, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=765,771,769,770, &end
#
#  chirality for residue 54 atoms:  CD NZ HE2 HE3
 &rst iat=771,777,775,776, &end
#
#  chirality for residue 54 atoms:  CG CE HD2 HD3
 &rst iat=768,774,772,773, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=761,781,764,765, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=785,790,788,789, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=787,793,791,792, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=783,796,786,787, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=800,805,803,804, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=798,808,801,802, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=828,833,831,832, &end
#
#  chirality for residue 58 atoms:  CB CD HG2 HG3
 &rst iat=830,836,834,835, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=826,841,829,830, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=845,850,848,849, &end
#
#  chirality for residue 59 atoms:  CB CD1 CD2 HG
 &rst iat=847,852,856,851, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=843,860,846,847, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=864,869,867,868, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=866,872,870,871, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=862,875,865,866, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=887,881,885,886, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=884,878,882,883, &end
#
#  chirality for residue 61 atoms:  CG N HD2 HD3
 &rst iat=881,877,879,880, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=877,889,888,884, &end
#
#  chirality for residue 62 atoms:  CA CG2 CG1 HB
 &rst iat=893,897,901,896, &end
#
#  chirality for residue 62 atoms:  CB CD1 HG12 HG13
 &rst iat=895,904,902,903, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=891,908,894,895, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=912,917,915,916, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=910,929,913,914, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=933,938,936,937, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=935,941,939,940, &end
#
#  chirality for residue 64 atoms:  CG NE HD2 HD3
 &rst iat=938,944,942,943, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=931,953,934,935, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=956,966,961,962, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=970,975,973,974, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=972,978,976,977, &end
#
#  chirality for residue 66 atoms:  CG NE HD2 HD3
 &rst iat=975,981,979,980, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=968,990,971,972, &end
#
#  chirality for residue 67 atoms:  CA CG2 OG1 HB
 &rst iat=994,998,1002,997, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=992,1004,995,996, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1008,1013,1011,1012, &end
#
#  chirality for residue 68 atoms:  CB CD HG2 HG3
 &rst iat=1010,1016,1014,1015, &end
#
#  chirality for residue 68 atoms:  CD NZ HE2 HE3
 &rst iat=1016,1022,1020,1021, &end
#
#  chirality for residue 68 atoms:  CG CE HD2 HD3
 &rst iat=1013,1019,1017,1018, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1006,1026,1009,1010, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1030,1035,1033,1034, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1032,1038,1036,1037, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1028,1043,1031,1032, &end
#
#  chirality for residue 70 atoms:  CA CG2 OG1 HB
 &rst iat=1047,1051,1055,1050, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1045,1057,1048,1049, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1059,1067,1062,1063, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1071,1076,1074,1075, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1073,1079,1077,1078, &end
#
#  chirality for residue 72 atoms:  CG NE HD2 HD3
 &rst iat=1076,1082,1080,1081, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1069,1091,1072,1073, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1095,1100,1098,1099, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1097,1103,1101,1102, &end
#
#  chirality for residue 73 atoms:  CD NZ HE2 HE3
 &rst iat=1103,1109,1107,1108, &end
#
#  chirality for residue 73 atoms:  CG CE HD2 HD3
 &rst iat=1100,1106,1104,1105, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1093,1113,1096,1097, &end
#
#  chirality for residue 74 atoms:  CA OG HB2 HB3
 &rst iat=1117,1122,1120,1121, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1115,1124,1118,1119, &end
#
#  chirality for residue 75 atoms:  CA CG2 OG1 HB
 &rst iat=1128,1132,1136,1131, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1126,1138,1129,1130, &end
#
#  chirality for residue 76 atoms:  N C HA2 HA3
 &rst iat=1140,1145,1143,1144, &end
#
#  trans-omega constraint for residue 2
 &rst iat=20,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2=150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=26,24,22,20, &end
#
#  trans-omega constraint for residue 4
 &rst iat=45,43,41,26, &end
#
#  trans-omega constraint for residue 5
 &rst iat=52,50,48,45, &end
#
#  trans-omega constraint for residue 6
 &rst iat=63,61,59,52, &end
#
#  trans-omega constraint for residue 7
 &rst iat=79,77,75,63, &end
#
#  trans-omega constraint for residue 8
 &rst iat=96,94,92,79, &end
#
#  trans-omega constraint for residue 9
 &rst iat=113,111,109,96, &end
#
#  trans-omega constraint for residue 10
 &rst iat=129,127,125,113, &end
#
#  trans-omega constraint for residue 11
 &rst iat=136,134,132,129, &end
#
#  trans-omega constraint for residue 12
 &rst iat=156,154,152,136, &end
#
#  trans-omega constraint for residue 13
 &rst iat=178,176,174,156, &end
#
#  trans-omega constraint for residue 14
 &rst iat=188,186,184,178, &end
#
#  trans-omega constraint for residue 15
 &rst iat=200,198,196,188, &end
#
#  trans-omega constraint for residue 16
 &rst iat=214,212,210,200, &end
#
#  trans-omega constraint for residue 17
 &rst iat=224,222,220,214, &end
#
#  trans-omega constraint for residue 18
 &rst iat=231,229,227,224, &end
#
#  trans-omega constraint for residue 19
 &rst iat=250,248,246,231, &end
#
#  trans-omega constraint for residue 20
 &rst iat=273,263,261,250, &end
#
#  trans-omega constraint for residue 21
 &rst iat=279,277,275,273, &end
#
#  trans-omega constraint for residue 22
 &rst iat=298,296,294,279, &end
#
#  trans-omega constraint for residue 23
 &rst iat=315,313,311,298, &end
#
#  trans-omega constraint for residue 24
 &rst iat=322,320,318,315, &end
#
#  trans-omega constraint for residue 25
 &rst iat=338,336,334,322, &end
#
#  trans-omega constraint for residue 26
 &rst iat=362,360,358,338, &end
#
#  trans-omega constraint for residue 27
 &rst iat=386,384,382,362, &end
#
#  trans-omega constraint for residue 28
 &rst iat=403,401,399,386, &end
#
#  trans-omega constraint for residue 29
 &rst iat=413,411,409,403, &end
#
#  trans-omega constraint for residue 30
 &rst iat=430,428,426,413, &end
#
#  trans-omega constraint for residue 31
 &rst iat=442,440,438,430, &end
#
#  trans-omega constraint for residue 32
 &rst iat=460,450,448,442, &end
#
#  trans-omega constraint for residue 33
 &rst iat=474,464,462,460, &end
#
#  trans-omega constraint for residue 34
 &rst iat=480,478,476,474, &end
#
#  trans-omega constraint for residue 35
 &rst iat=495,493,491,480, &end
#
#  trans-omega constraint for residue 36
 &rst iat=512,510,508,495, &end
#
#  trans-omega constraint for residue 37
 &rst iat=523,521,519,512, &end
#
#  trans-omega constraint for residue 38
 &rst iat=542,540,538,523, &end
#
#  trans-omega constraint for residue 39
 &rst iat=554,552,550,542, &end
#
#  trans-omega constraint for residue 40
 &rst iat=574,572,570,554, &end
#
#  trans-omega constraint for residue 41
 &rst iat=584,582,580,574, &end
#
#  trans-omega constraint for residue 42
 &rst iat=596,594,592,584, &end
#
#  trans-omega constraint for residue 43
 &rst iat=607,605,603,596, &end
#
#  trans-omega constraint for residue 44
 &rst iat=617,615,613,607, &end
#
#  trans-omega constraint for residue 45
 &rst iat=628,626,624,617, &end
#
#  trans-omega constraint for residue 46
 &rst iat=640,638,636,628, &end
#
#  trans-omega constraint for residue 47
 &rst iat=651,649,647,640, &end
#
#  trans-omega constraint for residue 48
 &rst iat=670,668,666,651, &end
#
#  trans-omega constraint for residue 49
 &rst iat=687,685,683,670, &end
#
#  trans-omega constraint for residue 50
 &rst iat=702,700,698,687, &end
#
#  trans-omega constraint for residue 51
 &rst iat=716,714,712,702, &end
#
#  trans-omega constraint for residue 52
 &rst iat=728,726,724,716, &end
#
#  trans-omega constraint for residue 53
 &rst iat=747,745,743,728, &end
#
#  trans-omega constraint for residue 54
 &rst iat=763,761,759,747, &end
#
#  trans-omega constraint for residue 55
 &rst iat=785,783,781,763, &end
#
#  trans-omega constraint for residue 56
 &rst iat=800,798,796,785, &end
#
#  trans-omega constraint for residue 57
 &rst iat=812,810,808,800, &end
#
#  trans-omega constraint for residue 58
 &rst iat=828,826,824,812, &end
#
#  trans-omega constraint for residue 59
 &rst iat=845,843,841,828, &end
#
#  trans-omega constraint for residue 60
 &rst iat=864,862,860,845, &end
#
#  trans-omega constraint for residue 61
 &rst iat=887,877,875,864, &end
#
#  trans-omega constraint for residue 62
 &rst iat=893,891,889,887, &end
#
#  trans-omega constraint for residue 63
 &rst iat=912,910,908,893, &end
#
#  trans-omega constraint for residue 64
 &rst iat=933,931,929,912, &end
#
#  trans-omega constraint for residue 65
 &rst iat=960,956,953,933, &end
#
#  trans-omega constraint for residue 66
 &rst iat=970,968,966,960, &end
#
#  trans-omega constraint for residue 67
 &rst iat=994,992,990,970, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1008,1006,1004,994, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1030,1028,1026,1008, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1047,1045,1043,1030, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1061,1059,1057,1047, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1071,1069,1067,1061, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1095,1093,1091,1071, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1117,1115,1113,1095, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1128,1126,1124,1117, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1142,1140,1138,1128, &end
#
# Restraints file 3: rescrd_1
defa
 1157
  -6.5072242  16.1292750  -0.7890004  -6.1407149  15.4120070  -1.4068106
  -6.1827416  15.9127788   0.1455355  -6.1625264  17.0354342  -1.0725086
  -7.9847674  16.1006809  -0.8188790  -8.3903680  16.8323610  -0.1208238
  -8.3582055  16.2889353  -1.8244317  -8.3941010  14.7221223  -0.3634171
  -8.2071520  14.4377317   0.8084471  -8.7526075  13.8187398  -1.2861824
  -9.4104974  14.0732773  -2.5540354  -8.6986130  14.4875125  -3.2695360
 -10.2675357  14.7376886  -2.4334252  -9.8721614  12.6945597  -3.0181232
  -9.9932099  12.6479163  -4.1009832 -10.8040353  12.4313719  -2.5134507
  -8.7491048  11.7780328  -2.5289983  -7.9597122  11.7432079  -3.2829737
  -9.1270702  10.7767895  -2.3291068  -8.2322856  12.4492993  -1.2474037
  -8.6265314  11.9330006  -0.3703998  -6.6885727  12.4564718  -1.2032250
  -6.0895740  13.4686822  -1.5889495  -6.0775190  11.3415207  -0.7766979
  -6.6690807  10.5655311  -0.5200655  -4.6501611  11.1831708  -0.4240923
  -4.5170663  10.1391015  -0.1335606  -3.7092677  11.4239906  -1.6255883
  -3.7305230  12.4872262  -1.8649832  -2.6893793  11.1883693  -1.3163030
  -4.0244906  10.6278817  -2.9064058  -5.0711278  10.7655014  -3.1775691
  -3.1664226  11.1406986  -4.0599335  -3.3971315  10.5776897  -4.9640854
  -2.1100751  11.0081346  -3.8216646  -3.3704587  12.1958581  -4.2350940
  -3.7442763   9.1381584  -2.7446952  -2.6907148   8.9836645  -2.5076619
  -3.9756681   8.6012776  -3.6638619  -4.3451410   8.7341842  -1.9331234
  -4.2368271  12.0248386   0.7992163  -4.6516272  13.1770161   0.9433568
  -3.4336530  11.4422026   1.6969947  -3.0645419  10.5232953   1.4861445
  -2.9942682  12.0765964   2.9500795  -2.4295422  11.3445822   3.5301178
  -2.3337418  12.9129653   2.7218600  -4.1455191  12.5893132   3.8306520
  -4.0411299  13.6623790   4.4207477  -5.2872649  11.8850862   3.8448022
  -5.3243819  11.0410327   3.2932340  -6.5241217  12.3800903   4.4839383
  -6.2192153  12.9940006   5.3333768  -7.2889253  13.2811367   3.5056879
  -6.6076988  13.6399615   2.7328963  -8.0919750  12.7175867   3.0300873
  -7.8170794  14.3958354   4.1978415  -7.0649979  14.9287483   4.4836826
  -7.4138616  11.2829394   5.0944122  -8.5803183  11.5071144   5.4290938
  -6.8518538  10.0831340   5.2607744  -5.8857440   9.9695897   4.9830998
  -7.4087158   8.9715982   6.0390055  -7.8454716   9.3934338   6.9431745
  -8.5134814   8.2300527   5.2567306  -9.1144122   8.9612080   4.7131441
  -7.9900372   7.2038815   4.2398711  -7.3161155   7.6894048   3.5326829
  -8.8305082   6.7778008   3.6916804  -7.4651038   6.3919363   4.7409565
  -9.4431631   7.5375539   6.2546212  -9.8893962   8.2710934   6.9279704
  -8.9294295   6.7628650   6.8185890 -10.2423763   7.0576097   5.7077927
  -6.2750946   8.0298098   6.4502327  -5.2431574   7.9863642   5.7874039
  -6.4700171   7.2532167   7.5149082  -7.3535643   7.3121481   7.9925636
  -5.5066831   6.2600295   7.9909434  -4.9224139   5.9238448   7.1404175
  -4.5220477   6.8834380   8.9983235  -3.9999159   6.0670464   9.5011645
  -3.7727559   7.4516165   8.4454487  -5.1504955   7.7943641  10.0726163
  -6.1227672   7.4081596  10.3758826  -4.5036720   7.7900174  10.9491552
  -5.2729192   9.2468174   9.6102183  -4.3180546   9.8872591   9.2185045
  -6.4465562   9.8378226   9.6504041  -7.2490220   9.3757537  10.0289471
  -6.4368475  10.7979629   9.3564533  -6.2071873   5.0179606   8.5539644
  -6.9558198   5.0970740   9.5308159  -5.9655742   3.8591321   7.9387122
  -5.2915296   3.8551064   7.1756181  -6.6046459   2.5885444   8.2998277
  -7.5487902   2.8052783   8.8040574  -6.9820577   1.8181194   7.0267017
  -6.1675322   1.8622704   6.3019210  -7.1438291   0.7728811   7.2860723
  -8.2681500   2.3301173   6.4121115  -9.5327687   1.7810135   6.6484038
 -10.3983312   2.5735936   5.9892855 -11.4707248   2.4332085   5.9493549
  -9.7612330   3.5920911   5.3943406 -10.2435498   4.3545629   4.9023900
  -8.4100055   3.4514347   5.6425909  -7.6132169   4.1064396   5.3182943
  -5.7629442   1.8069608   9.3202440  -5.2089454   0.7442489   9.0346486
  -5.6896277   2.3519804  10.5422264  -6.1619718   3.2408575  10.6649971
  -5.0235576   1.7699438  11.7281774  -3.9694696   1.6537274  11.5017708
  -5.0838577   2.7059822  12.9575696  -4.9875783   2.1049095  13.8630619
  -3.8863608   3.6641918  12.9252575  -3.9251181   4.3361536  13.7831318
  -3.8994489   4.2526647  12.0066182  -2.9545055   3.0983606  12.9719932
  -6.3678117   3.5431136  13.0696128  -6.4184475   4.2800767  12.2659804
  -6.3789712   4.0733238  14.0219616  -7.2398763   2.8908968  13.0190061
  -5.5384032   0.3598742  12.0543291  -6.5578454   0.1764318  12.7135049
  -4.8190069  -0.6394153  11.5351907  -4.0421992  -0.3697394  10.9507468
  -5.1602198  -2.0711546  11.5672758  -4.7010948  -2.5249441  12.4424481
  -6.2408202  -2.1818995  11.6584463  -4.7174673  -2.8572242  10.3150445
  -4.7315691  -4.0903744  10.3200697  -4.3288282  -2.1466117   9.2475359
  -4.4414987  -1.1412683   9.2971537  -4.1011634  -2.6837315   7.8999794
  -4.0384290  -3.7729414   7.9366092  -5.3321745  -2.3256001   7.0495595
  -5.4068096  -1.2403551   6.9628706  -5.1905426  -2.7216192   6.0457252
  -6.6364145  -2.8664426   7.6177875  -7.4162472  -2.0827129   8.4932332
  -7.1005153  -1.0809459   8.7441324  -8.5875029  -2.6112738   9.0659155
  -9.1755118  -2.0112470   9.7455029  -8.9939207  -3.9196662   8.7500387
  -9.9019051  -4.3230872   9.1740493  -8.2225190  -4.7014197   7.8727134
  -8.5380751  -5.7006093   7.6124876  -7.0423800  -4.1783849   7.3146313
  -6.4489430  -4.7789180   6.6372639  -2.7749974  -2.1517196   7.3144646
  -2.7416130  -1.1228963   6.6402222  -1.6610437  -2.8078482   7.6690256
  -1.8018250  -3.6957937   8.1357013  -0.2930844  -2.5488724   7.1600783
  -0.0644862  -1.4834473   7.1542055   0.6902285  -3.2761759   8.0969761
   0.5452989  -2.8937985   9.1073041   0.4375338  -4.3352760   8.0843086
   2.1806524  -3.1485975   7.7495457   2.3486039  -3.5005735   6.7348930
   2.4676274  -2.1073087   7.8177243   3.0867039  -3.9545755   8.6916583
   2.5483642  -4.8267194   9.0657275   3.9476382  -4.3145244   8.1240796
   3.5608412  -3.0850398   9.8675820   2.9104960  -2.2074538   9.9515817
   3.4802953  -3.6455529  10.8008696   4.9538357  -2.6267842   9.6813302
   5.1764114  -1.8863645  10.3534036   5.0700270  -2.1964163   8.7663705
   5.6276510  -3.3671995   9.7629889  -0.1734067  -3.0488448   5.7138384
  -0.8379283  -4.0290557   5.3996438   0.6601069  -2.4387317   4.8703162
   1.1859281  -1.6394254   5.2013301   0.9709958  -2.9315729   3.5206375
   0.0451975  -2.9991147   2.9473905   1.8654870  -1.8664315   2.8695341
   2.7505805  -1.7233411   3.4943192   1.3031917  -0.9281319   2.8356393
   2.3506334  -2.3612767   1.1970571   1.6272887  -4.3368167   3.5504122
   2.4384003  -4.6117205   4.4390302   1.3115822  -5.2322331   2.6052231
   0.5972765  -4.9782592   1.9253967   2.0642521  -6.4889286   2.4201305
   2.4130535  -6.8394122   3.3924453   1.1656216  -7.5874015   1.8403892
   0.7830882  -7.2511695   0.8766458   1.7653401  -8.4815811   1.6645714
   0.0003813  -7.9416722   2.7604676  -1.0797358  -7.3321365   2.6102111
   0.1558046  -8.8086189   3.6500094   3.3102123  -6.3455248   1.5279219
   4.2457364  -7.1303750   1.6712175   3.3370599  -5.3770233   0.6013614
   2.5873111  -4.6914005   0.6069574   4.4143064  -5.2415667  -0.3961236
   4.6865822  -6.2364179  -0.7583080   3.8792274  -4.4260404  -1.5918451
   3.0961983  -4.9945314  -2.0907885   3.4433817  -3.5027425  -1.2225123
   4.9332466  -4.0839902  -2.6380729   5.4911647  -4.9357212  -3.3114857
   5.2278368  -2.8240595  -2.8470404   4.7533012  -2.0728679  -2.3430843
   5.9190980  -2.6294832  -3.5397547   5.6938425  -4.6293446   0.2006070
   6.7859444  -5.1613455   0.0023044   5.5563738  -3.5158093   0.9328282
   4.6229313  -3.1418993   1.0437013   6.6646434  -2.7777646   1.5599704
   7.6094971  -3.1484711   1.1605038   6.5413826  -1.3002892   1.1604855
   6.4841031  -1.2242084   0.0705812   7.4433131  -0.7807232   1.4925581
   5.0926256  -0.5427093   1.9447227   6.7265816  -2.9388801   3.0913886
   7.7506334  -2.6691635   3.7242818   5.6204422  -3.3684723   3.7023146
   4.8250271  -3.5956600   3.1251516   5.4640002  -3.4183318   5.1494647
   4.6094487  -4.0485532   5.3897064   6.3537424  -3.8779116   5.5816005
   5.2598382  -2.0557196   5.8259479   5.3598072  -2.0178004   7.0547298
   5.0111302  -0.9449738   5.1125400   5.0007645  -0.9943133   4.0959088
   4.7958553   0.3672539   5.7534067   5.6693068   0.5230387   6.3922924
   4.7582231   1.5346065   4.7377912   5.5610623   1.3719205   4.0157642
   3.4155958   1.6126477   3.9948430   3.5187912   2.2564541   3.1195264
   2.6279483   2.0025794   4.6452000   3.1269518   0.6166460   3.6588902
   5.0369478   2.8752023   5.4554719   4.2120955   3.1145991   6.1270684
   5.9465410   2.7746779   6.0515812   5.2318865   4.0591382   4.5015534
   5.4935351   4.9452601   5.0799705   4.3117374   4.2639208   3.9555204
   6.0346801   3.8422477   3.7960800   3.5610480   0.3626951   6.6641926
   2.5445885  -0.2707447   6.3776496   3.6828800   1.0724542   7.7849515
   4.5355250   1.5951700   7.9047085   2.6720747   1.1759712   8.8420318
   2.5730317   0.1839974   9.2653797   3.1883817   2.1525602   9.9198729
   3.3635528   3.1250907   9.4551668   2.4266047   2.2985765  10.6808905
   4.4846724   1.7069343  10.6236342   5.3119203   1.8418832   9.9213842
   4.6671825   2.3711049  11.4717300   4.4783717   0.2395251  11.0928888
   5.5530756  -0.3984630  11.0567987   3.3986571  -0.3267310  11.3844222
   1.2566366   1.5640693   8.3509054   1.1188320   2.2466371   7.3336458
   0.1935127   1.1123526   9.0546835   0.2227061   0.4411023  10.3454749
   1.0062363   0.8079354  11.0035127   0.3375674  -0.6332455  10.1938726
  -1.1387231   0.7397625  10.9529906  -1.1357528   1.7492187  11.3684438
  -1.4168282   0.0054553  11.7085467  -2.0585320   0.6879026   9.7352846
  -2.8479051   1.4276672   9.8172165  -2.4721945  -0.3107881   9.6268792
  -1.1696842   1.0068985   8.5344582  -1.1705355   0.1414699   7.8826100
  -1.7058423   2.1909734   7.7192496  -1.8434618   3.3067590   8.2215742
  -2.0761556   1.8834063   6.4738064  -2.0867822   0.8939555   6.2547435
  -1.9937493   2.7771373   5.3097416  -0.9334200   2.9544171   5.1157004
  -2.5566206   2.0234351   4.0851443  -3.5668652   1.6952962   4.3379348
  -2.6541986   2.9316133   2.8529494  -1.6912386   3.4037061   2.6449448
  -3.4159513   3.6961363   2.9960307  -2.9413258   2.3292971   1.9905434
  -1.6944095   0.7824784   3.7283015  -0.9827073   1.0301540   2.9388119
  -1.1119017   0.4462338   4.5857545  -2.5603180  -0.3972342   3.2774258
  -3.1874270  -0.7338521   4.1023837  -1.9159678  -1.2179143   2.9618536
  -3.2035631  -0.1021695   2.4500148  -2.6581903   4.1485301   5.5270185
  -3.8540813   4.2385063   5.8259604  -1.8688195   5.2160103   5.3397077
  -0.9099370   5.0319766   5.0841634  -2.1859946   6.6074700   5.7042204
  -3.1267907   6.6013321   6.2450580  -1.1211034   7.1533614   6.6803040
  -0.1580666   7.2453780   6.1754035  -1.4373081   8.1498823   6.9904695
  -0.9508959   6.2916457   7.9411476  -1.9110410   5.8442976   8.1883460
  -0.2402094   5.4874889   7.7482579  -0.4794722   7.1028520   9.1423695
   0.5901556   7.6813140   9.1728576  -1.2664957   7.1851852  10.1945351
  -2.1383927   6.6969498  10.1944577  -0.9543307   7.8086624  10.9164759
  -2.4210720   7.5468186   4.5011148  -1.8769292   8.6492045   4.4466706
  -3.2492123   7.1428659   3.5315936  -3.6936561   6.2408732   3.6202993
  -3.6323833   8.0357340   2.4246594  -3.8999025   9.0081675   2.8336811
  -2.7727005   8.1556704   1.7653751  -4.8118269   7.5393729   1.5914862
  -5.7590038   8.2911168   1.3421891  -4.7848177   6.2526600   1.2440719
  -3.8997652   5.7687902   1.3488461  -5.8830419   5.4689839   0.6591004
  -6.8123447   5.7107057   1.1751066  -6.0675187   5.7851958  -0.8430517
  -6.4998440   6.7788937  -0.8915834  -4.7749502   5.8231338  -1.6638009
  -4.9910715   6.1007830  -2.6942783  -4.2754485   4.8579464  -1.6483883
  -4.1016617   6.5632931  -1.2406550  -7.0294448   4.8188869  -1.5455009
  -6.6039874   3.8153772  -1.5925201  -7.2088631   5.1614477  -2.5627728
  -7.9773930   4.7872829  -1.0180262  -5.5765411   3.9893093   0.8778196
  -4.5525180   3.5021501   0.4135502  -6.4330965   3.2588855   1.6007160
  -7.2965516   3.6944844   1.9161658  -6.2558623   1.8075637   1.7772154
  -5.1970155   1.5713566   1.9016481  -7.0094698   1.3379119   3.0361021
  -6.5761138   1.8284089   3.9076291  -8.0543402   1.6369635   2.9636396
  -6.9415179  -0.1851492   3.2407149  -7.2725002  -0.7008765   2.3385857
  -5.9126053  -0.4804484   3.4538428  -7.8496795  -0.6331945   4.3891858
  -7.4882716  -0.2017399   5.3198989  -8.8619548  -0.2745959   4.2011881
  -7.8266140  -2.0984351   4.4934482  -6.9369586  -2.5593592   4.3008049
  -8.8280662  -2.9479229   4.5544863  -8.5699261  -4.2091004   4.4373512
  -7.6006870  -4.4034324   4.1537144  -9.2496835  -4.8262060   4.0185110
 -10.0728441  -2.5791575   4.6911197 -10.2958772  -1.6054034   4.7135028
 -10.7946794  -3.2709117   4.6490388  -6.7267220   1.0920162   0.5120376
  -7.9310766   0.9784182   0.3143421  -5.8137043   0.5858877  -0.3134538
  -4.8286708   0.7301183  -0.1126016  -6.1597829  -0.3627564  -1.3770204
  -7.1071163  -0.0780579  -1.8337116  -5.0963098  -0.3463395  -2.4808771
  -4.1402466  -0.6259459  -2.0484713  -5.3531862  -1.1083987  -3.2185301
  -4.9228167   0.9578461  -3.1990410  -4.1993383   2.0037538  -2.7407890
  -3.6431499   2.0095318  -1.8087111  -4.2391829   3.0385044  -3.6512235
  -3.6740327   3.8728841  -3.5552057  -5.0068058   2.7174696  -4.7468159
  -5.3396863   3.4180845  -5.9145675  -4.9660226   4.4206195  -6.0617674
  -6.1027273   2.7772686  -6.9056772  -6.3297518   3.2895704  -7.8305293
  -6.5243299   1.4483153  -6.7119546  -7.0806011   0.9407422  -7.4879669
  -6.1977782   0.7596187  -5.5247299  -6.5079405  -0.2639886  -5.3953642
  -5.4384380   1.3774483  -4.5034678  -6.3303369  -1.7539140  -0.7577065
  -5.3513360  -2.4624975  -0.5311229  -7.5752154  -2.0988503  -0.4234878
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  -3.3519573 -17.2334438  -7.2427261  -3.7509206 -18.3398623  -8.5758524
  -1.6702567 -17.9385646  -8.3093779  -1.5528716 -18.9249887  -8.4483875
  -1.2082396 -17.6517478  -7.4494581  -1.1928373 -17.4377374  -9.0668509
  -3.9998652 -11.9348542  -9.6449114  -4.7089976 -11.0729904  -9.1524537
  -3.4862742 -11.8228919 -10.8741882  -2.9784948 -12.6041940 -11.2531272
  -3.6741154 -10.6393532 -11.7335318  -3.4850184  -9.7601541 -11.1165409
  -2.6283561 -10.6279613 -12.8727362  -2.7366455  -9.6833073 -13.4060221
  -1.6301932 -10.6513324 -12.4334573  -2.7389170 -11.7749715 -13.9008184
  -2.3995731 -12.6990805 -13.4238011  -3.7915966 -11.9161477 -14.1545838
  -1.9484764 -11.5395789 -15.2151115  -1.0174806 -10.6978134 -15.2382000
  -2.2765203 -12.2164386 -16.2200052  -5.1049176 -10.4419974 -12.2823969
  -5.4103754  -9.3570260 -12.7772081  -5.9899428 -11.4429949 -12.1948589
  -5.7027831 -12.3439648 -11.8233654  -7.4235639 -11.3225242 -12.5023622
  -7.5382379 -10.5046674 -13.2130205  -7.9623537 -12.5840657 -13.2232668
  -9.0462093 -12.4950265 -13.3286832  -7.5516311 -12.5713451 -14.2335386
  -7.6241032 -13.9713608 -12.6448538  -8.2989697 -14.9356750 -13.0847977
  -6.6640407 -14.0948997 -11.8520149  -8.2968250 -10.9089969 -11.2936834
  -9.4897417 -10.6263695 -11.4656436  -7.7173958 -10.7869824 -10.0955219
  -6.7298004 -10.9830713  -9.9998515  -8.4021689 -10.2262470  -8.9357777
  -9.3716837 -10.7232755  -8.8680879  -7.6423118 -10.6123945  -7.6500283
  -8.3794340 -10.6800227  -6.8500627  -7.2035974 -11.6039911  -7.7647479
  -6.5812264  -9.6514570  -7.1808109  -6.2574421  -9.4507263  -5.8495046
  -5.4926229  -8.3224239  -5.8467690  -5.1138295  -7.8577311  -4.9520439
  -5.2487530  -7.8630553  -7.0681661  -5.9268819  -8.7102766  -7.9333205
  -5.9937579  -8.5877922  -9.0054236  -8.6850537  -8.6976136  -9.0937300
  -8.4003000  -8.0879169 -10.1283765  -9.2872006  -8.0404326  -8.0926182
  -9.4069431  -8.5110528  -7.2078805  -9.7038291  -6.6315292  -8.1827369
  -9.1346144  -6.1420096  -8.9768244 -11.2036155  -6.5382994  -8.5418884
 -11.7816954  -6.8635241  -7.6794094 -11.4557301  -5.4934812  -8.7261822
 -11.6666512  -7.3847330  -9.7479670 -11.4075734  -8.4354518  -9.5986022
 -12.7531407  -7.3317333  -9.7989448 -11.1438756  -6.8934915 -11.0925371
 -11.2466936  -5.7194843 -11.4237260 -10.6404439  -7.7641319 -11.9394770
 -10.3550170  -8.6814853 -11.5929751 -10.1607197  -7.3945969 -12.7355282
  -9.3955636  -5.8802785  -6.8790658  -9.5028616  -6.4554409  -5.7997363
  -9.0568207  -4.5844409  -6.9541325  -9.0156028  -4.1587645  -7.8650619
  -8.6651371  -3.7624292  -5.7901463  -8.5538225  -4.4163914  -4.9239124
  -7.3073565  -3.0578320  -6.0107361  -7.3741322  -2.4332824  -6.9024393
  -7.1634776  -2.3928621  -5.1613757  -6.0197138  -3.9025944  -6.0895267
  -5.1869169  -3.2018227  -6.0285372  -5.8864258  -4.8701056  -4.9182840
  -4.9214278  -5.3697768  -4.9804575  -6.6607914  -5.6372468  -4.9640271
  -5.9573393  -4.3364821  -3.9717297  -5.8659439  -4.6451061  -7.4124972
  -6.5892505  -5.4582622  -7.4848354  -4.8721558  -5.0965362  -7.4556724
  -5.9820655  -3.9615358  -8.2517270  -9.7260158  -2.7187299  -5.3989538
 -10.4505420  -2.1824641  -6.2376232  -9.7907177  -2.3947004  -4.1107605
  -9.1952828  -2.9274041  -3.4780006 -10.7674949  -1.4972116  -3.4834661
 -11.4653190  -1.1270180  -4.2311098 -11.5883616  -2.3454640  -2.5013324
 -12.0632063  -3.1463693  -3.0658201 -10.9198433  -2.8013014  -1.7695416
 -12.6810421  -1.5683330  -1.7632825 -12.2377576  -0.7742540  -1.1609494
 -13.3485113  -1.1057786  -2.4941430 -13.4674791  -2.5308306  -0.8711373
 -14.3664095  -3.2072558  -1.4144874 -13.1344777  -2.6151508   0.3321146
 -10.0696044  -0.2927328  -2.8069307  -9.6076731  -0.4160145  -1.6729669
  -9.9314684   0.8665786  -3.4851968 -10.2438713   1.0569980  -4.8952227
 -11.2940370   0.8507680  -5.1023152  -9.6070691   0.4068226  -5.4980272
  -9.9280582   2.5178425  -5.2103058 -10.8177806   3.1281935  -5.0493726
  -9.5572518   2.6378138  -6.2290823  -8.8644565   2.8776286  -4.1761966
  -8.8349951   3.9454671  -3.9707909  -7.8933627   2.5523334  -4.5289560
  -9.2546549   2.0537787  -2.9478717  -8.3424708   1.7566552  -2.4298287
 -10.1250956   2.8582031  -1.9651619 -10.8759045   3.7629085  -2.3437438
 -10.0067000   2.5667454  -0.6718361  -9.3966145   1.7942823  -0.4093501
 -10.7388739   3.2631876   0.3902292 -11.7257362   3.5172131   0.0006850
 -10.9711316   2.3236655   1.5954118 -10.0081104   2.0989923   2.0488438
 -11.8362238   3.0651993   2.6211343 -11.3238168   3.9666548   2.9325462
 -11.9911210   2.4601623   3.5095740 -12.8053617   3.3280627   2.1960847
 -11.6396226   0.9873773   1.1978806 -12.6259540   1.1796664   0.7722169
 -11.0337593   0.4944567   0.4390881 -11.7769716  -0.0031239   2.3619302
 -12.5144634   0.3481710   3.0824723 -10.8122819  -0.1386934   2.8492442
 -12.1115522  -0.9641027   1.9768898 -10.0312969   4.5854510   0.7635905
  -9.1221576   4.6257761   1.5945040 -10.4459430   5.6869031   0.1296246
 -11.1033809   5.5465550  -0.6244645  -9.9417010   7.0553457   0.3666017
  -8.8604301   7.0133700   0.5042235 -10.2456429   7.9169439  -0.8754453
 -11.2972818   7.8004406  -1.1426973 -10.1043820   8.9701110  -0.6285647
  -9.3882436   7.6521446  -2.0956884  -9.8596176   6.8430585  -3.1477201
 -10.8176830   6.3451213  -3.0639796  -9.0775927   6.6695195  -4.3073809
  -9.4376060   6.0407885  -5.1067958  -7.8189308   7.3014187  -4.4120080
  -7.0415131   7.1216471  -5.5099331  -7.3393969   6.3908650  -6.0545398
  -7.3515895   8.1095676  -3.3582852  -6.3810431   8.5690084  -3.4459534
  -8.1324888   8.2796425  -2.2007987  -7.7566883   8.8710500  -1.3791503
 -10.5163493   7.7578295   1.6190973 -10.2074708   8.9322949   1.8431329
 -11.3982809   7.0938905   2.3807800 -11.4864129   6.0990574   2.2329943
 -12.2260467   7.6482975   3.4704929 -11.6863184   8.4534883   3.9591621
 -13.5553986   8.1864764   2.8890964 -14.0210331   7.4042311   2.2866099
 -14.2440069   8.4037364   3.7067690 -13.4321748   9.4624793   2.0354639
 -12.8742458   9.2380918   1.1263682 -14.4336145   9.7737978   1.7352518
 -12.7502098  10.6363287   2.7571493 -11.7127777  10.3790504   2.9531360
 -12.7600618  11.5055069   2.0983773 -13.4067873  10.9811597   4.0300621
 -14.3358755  10.6235020   4.1723424 -12.8427394  11.6067723   5.0441635
 -13.5387707  11.8538045   6.1160348 -14.4708929  11.4864653   6.1999690
 -13.1163754  12.3274457   6.8912632 -11.6038752  12.0143061   5.0062083
 -11.0139661  11.7239021   4.2426854 -11.1605685  12.4364759   5.7990611
 -12.4776340   6.6425952   4.6037086 -11.8384836   5.5690557   4.5888749
 -13.2386126   7.0153788   5.5169182  -2.2214328  -6.3109445   4.8281317
  -1.8489849  -6.6579275   3.9548570  -1.8804928  -5.3689280   4.9530413
  -3.2319347  -6.2661064   4.7598146  -1.7840217  -7.1656860   5.9433007
  -2.0154115  -8.1937348   5.6655075  -0.2643961  -7.0628438   6.1710120
   0.2653983  -7.0109584   5.2250787   0.0789238  -7.9357223   6.7272845
  -0.0093939  -6.1591726   6.7208641  -2.5257831  -6.8182801   7.2401057
  -2.2921590  -5.7577723   7.8275891  -3.3578761  -7.7323933   7.7690336
  -3.5215838  -8.5905636   7.2558167  -3.9787562  -7.5945642   9.1075463
  -4.6148593  -6.7065132   9.1181034  -4.8393243  -8.8305236   9.4196942
  -4.2669033  -9.7338377   9.1946157  -5.0622153  -8.8256005  10.4874876
  -6.1680094  -8.8597587   8.6519206  -6.7782274  -8.0069327   8.9515517
  -5.9636807  -8.7756733   7.5870041  -6.9507176 -10.1575256   8.9153944
  -7.8662487 -10.1255697   8.3214998  -6.3643008 -11.0053171   8.5524143
  -7.2381919 -10.3473210  10.3594609  -6.4371516 -10.5022078  10.9471985
  -8.4097714 -10.3427621  10.9678495  -8.4820019 -10.3982243  12.2712228
  -7.6628506 -10.4432376  12.8568542  -9.3654409 -10.3056856  12.7392167
  -9.5335336 -10.2810579  10.3082277  -9.4695753 -10.3811199   9.3055342
 -10.4148769 -10.3571422  10.7766819  -2.9181626  -7.4234880  10.2075058
  -2.2956477  -8.3964770  10.6216733  -2.7459970  -6.2012300  10.7085953
  -3.3276575  -5.4544365  10.3373794  -1.6508420  -5.8200266  11.6169086
  -1.2133628  -6.7093338  12.0699098  -0.5341326  -5.1162332  10.8371584
  -0.9567619  -4.3129788  10.2328136   0.5654516  -4.5454892  11.7318549
   0.9472525  -5.3242887  12.3913654   0.1839587  -3.7067115  12.3131862
   1.3752600  -4.1786356  11.1087427   0.0877242  -6.0516163  10.0015490
  -0.5018346  -6.2043363   9.2512927  -2.1675648  -4.9074216  12.7180750
  -2.6070350  -3.7984510  12.4308624  -2.0947074  -5.3595093  13.9794263
  -1.6567526  -6.2600207  14.1124458  -2.7394749  -4.7113651  15.1399944
  -2.6160582  -5.3682685  16.0011364  -2.0155791  -3.3876732  15.4766595
  -0.9420082  -3.5742135  15.5373969  -2.1880065  -2.6677637  14.6757777
  -2.4838785  -2.7711729  16.8048998  -3.5641251  -2.6379174  16.7894178
  -2.2324913  -3.4442476  17.6251836  -1.8306946  -1.4040532  17.0440513
  -0.7699780  -1.5455564  17.2581152  -1.9390362  -0.7901262  16.1479069
  -2.5315720  -0.7101245  18.2174110  -3.5841178  -0.5684981  17.9440133
  -2.5020591  -1.3742362  19.0869383  -1.9029444   0.5955842  18.5468568
  -0.9601678   0.4603163  18.8935089  -2.4389840   1.0708040  19.2631342
  -1.8638754   1.1925285  17.7308138  -4.2583041  -4.5665147  14.9229610
  -4.7909336  -3.4678874  14.7631939  -4.9656254  -5.7017701  14.9372825
  -4.4884526  -6.5719097  15.0975892  -6.4316081  -5.7049604  14.8898790
  -6.7267493  -5.2522704  13.9424587  -6.9903200  -7.1433749  14.9099345
  -8.0502070  -7.0937203  14.6565062  -6.4887228  -7.7101766  14.1238348
  -6.8604566  -7.9134259  16.2423269  -5.8132840  -7.9528734  16.5460184
  -7.4227214  -7.3927162  17.0189680  -7.3947025  -9.3471743  16.1568249
  -7.6090567  -9.9067570  15.0881046  -7.6261419 -10.0021042  17.2750303
  -7.4773750  -9.5676830  18.1696161  -7.9523395 -10.9489942  17.1893284
  -6.9839666  -4.8246380  16.0219540  -6.5507836  -4.9454977  17.1663001
  -7.8972614  -3.9116876  15.6955215  -8.2261231  -3.8699512  14.7429775
  -8.3559039  -2.8518910  16.6057959  -8.0265138  -3.0715471  17.6217784
  -7.7246724  -1.5039315  16.2079817  -7.9489302  -1.2921889  15.1622722
  -8.2150580  -0.3364673  17.0646898  -8.0212945  -0.5386486  18.1185336
  -9.2831855  -0.1773592  16.9146514  -7.6879559   0.5714615  16.7697726
  -6.3213710  -1.5632392  16.3766702  -5.9556747  -2.1363968  15.6821826
  -9.8824353  -2.8082085  16.6086363 -10.4995355  -2.7935355  15.5435635
 -10.4976364  -2.8319119  17.7947935  -9.9450670  -2.8192661  18.6376034
 -11.9521291  -2.9020336  17.9372312 -12.3059645  -3.7486079  17.3468059
 -12.3009222  -3.1772174  19.4051880 -11.8252134  -4.1020222  19.7361429
 -13.3816605  -3.2822887  19.5114273 -11.9629134  -2.3500724  20.0327477
 -12.6502480  -1.6307768  17.4180564 -12.2700906  -0.5099521  17.7627478
 -13.7150210  -1.8118901  16.6273263 -14.0110913  -2.7609028  16.4402115
 -14.5054444  -0.7357193  16.0132271 -14.1400728   0.2232999  16.3832539
 -14.2866634  -0.7791559  14.4867510 -13.2148900  -0.7777355  14.2818170
 -14.7140470  -1.7013246  14.0875245 -14.9284314   0.4233813  13.7829267
 -15.9831430   0.4200642  14.0398339 -14.4872258   1.3479675  14.1565383
 -14.8179102   0.3986097  12.2493493 -15.2386297  -0.5401143  11.8791478
 -15.4314320   1.2154669  11.8642120 -13.4293924   0.5659092  11.7669746
 -12.6963376   0.3375155  12.4148895 -13.0633534   0.9776202  10.5575321
 -11.7989250   1.0249709  10.2217545 -11.0824313   0.7768638  10.8843656
 -11.5250821   1.2902910   9.2935095 -13.9366140   1.3399059   9.6589013
 -14.9044796   1.4639063   9.9192806 -13.6473158   1.6576438   8.7515442
 -15.9751428  -0.8787970  16.4247187 -16.5255546  -1.9693315  16.3362696
 -16.5896379   0.2258699  16.8699621 -16.0393637   1.0663029  16.9065198
 -17.9831795   0.2943414  17.3657298 -18.1673390  -0.5297517  18.0585071
 -18.2035075   1.6345332  18.0940202 -17.9848907   2.4498811  17.4026714
 -19.2564692   1.7079062  18.3734649 -17.3539243   1.7853970  19.3691358
 -17.6185033   0.9814041  20.0574914 -16.2945930   1.6910402  19.1267257
 -17.5827969   3.1316437  20.0779946 -18.6517513   3.2606400  20.2585449
 -17.0724145   3.1009475  21.0427097 -17.0424427   4.3118443  19.2541867
 -15.9733958   4.1524444  19.0799443 -17.5431113   4.3205686  18.2806721
 -17.2581131   5.6137999  19.9348910 -18.2476031   5.7804303  20.0749440
 -16.8914230   6.3691686  19.3669709 -16.7965866   5.6315436  20.8358980
 -19.0376730   0.1537923  16.2585264 -20.0842387  -0.4411764  16.4765716
 -18.7537843   0.7350142  15.0979788 -17.8924156   1.2506185  15.0238226
 -19.6462527   0.8740499  13.9431695 -20.1510581  -0.0725355  13.7510631
 -20.7020084   1.9514613  14.2379095 -21.3293721   2.1035535  13.3579438
 -21.3375842   1.6144248  15.0572892 -20.0975706   3.1766035  14.6038620
 -20.2245939   3.7912333  13.8276937 -18.7940234   1.2470009  12.7227822
 -17.6679739   1.7189038  12.8871163 -19.2584312   0.9774403  11.4989782
 -20.1582246   0.5354689  11.3943219 -18.4534889   1.2296716  10.2830329
 -17.5021125   0.7122145  10.3873982 -19.1520938   0.6585036   9.0423785
 -20.1549466   1.0795741   8.9563980 -18.3952261   0.8962727   7.7357347
 -17.3626466   0.5612085   7.8343882 -18.4030359   1.9595736   7.4904740
 -18.8750227   0.3565137   6.9192841 -19.2472655  -0.7374987   9.1986150
 -19.6500173  -1.0925438   8.4027688 -18.1276732   2.7148138  10.0941561
 -16.9978872   3.0317449   9.7152964 -19.0943099   3.5740136  10.4310698
 -19.9408756   3.1827844  10.8209966 -18.9920535   5.0146573  10.6766558
 -17.9693458   5.2953864  10.9212532 -19.3235003   5.5763098   9.8049644
 -19.8807012   5.4120386  11.8550873 -19.9127671   6.6124249  12.1653135
 -20.4882203   4.4831013  12.4494331   3.3508667  -0.5518902   0.7493874
   2.8115860   0.1631257   0.9067498   4.0965183  -0.4973221   1.2702611
   3.6016412  -0.5504335  -0.1304287   2.9037478  -1.3218081   0.9422949
  -6.0243669 -10.3461821  -4.0120636  -6.3717167  -9.7179025  -3.4322140
  -5.1237180 -10.3835969  -3.8881648  -6.2087317 -10.0982198  -4.8475612
  -6.3818924 -11.1491431  -3.8044759
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY 811           H1       GLY   1  20.896  10.819  17.741
    2    H2   GLY 811           H2       GLY   1  21.699  11.496  19.003
    3    H3   GLY 811           H3       GLY   1  20.358  10.599  19.274
    4    HA2  GLY 811           HA2      GLY   1  22.308   9.292  19.865
    5    HA3  GLY 811           HA3      GLY   1  21.430   8.590  18.508
    6    HA   PRO 812           HA       PRO   2  25.646  10.417  16.956
    7    HB2  PRO 812           HB2      PRO   2  27.356   9.438  19.228
    8    HB3  PRO 812           HB3      PRO   2  27.450  10.985  18.345
    9    HG2  PRO 812           HG2      PRO   2  26.468  10.916  20.843
   10    HG3  PRO 812           HG3      PRO   2  25.633  11.903  19.594
   11    HD2  PRO 812           HD2      PRO   2  24.966   9.068  20.480
   12    HD3  PRO 812           HD3      PRO   2  23.893  10.499  20.397
   13    H    LEU 813           H        LEU   3  27.891   9.317  16.478
   14    HA   LEU 813           HA       LEU   3  27.386   6.865  15.172
   15    HB2  LEU 813           HB2      LEU   3  30.099   7.905  16.080
   16    HB3  LEU 813           HB3      LEU   3  29.802   6.706  14.828
   17    HG   LEU 813           HG       LEU   3  29.226   9.688  14.702
   18   HD11  LEU 813          HD11      LEU   3  31.551   8.899  14.308
   19   HD12  LEU 813          HD12      LEU   3  30.821   9.557  12.830
   20   HD13  LEU 813          HD13      LEU   3  30.954   7.793  13.052
   21   HD21  LEU 813          HD21      LEU   3  27.366   8.575  13.580
   22   HD22  LEU 813          HD22      LEU   3  28.524   7.575  12.655
   23   HD23  LEU 813          HD23      LEU   3  28.467   9.336  12.421
   24    H    GLY 814           H        GLY   4  28.023   4.736  15.545
   25    HA2  GLY 814           HA2      GLY   4  28.492   2.822  16.836
   26    HA3  GLY 814           HA3      GLY   4  28.983   3.845  18.183
   27    H    SER 815           H        SER   5  26.159   5.258  17.574
   28    HA   SER 815           HA       SER   5  24.429   3.293  19.008
   29    HB2  SER 815           HB2      SER   5  24.268   6.278  19.394
   30    HB3  SER 815           HB3      SER   5  23.620   5.017  20.444
   31    HG   SER 815           HG       SER   5  26.346   5.813  20.195
   32    H    VAL 816           H        VAL   6  24.583   4.594  16.031
   33    HA   VAL 816           HA       VAL   6  21.740   5.385  15.908
   34    HB   VAL 816           HB       VAL   6  24.064   5.231  14.002
   35   HG11  VAL 816          HG11      VAL   6  22.492   6.178  12.320
   36   HG12  VAL 816          HG12      VAL   6  21.164   5.612  13.383
   37   HG13  VAL 816          HG13      VAL   6  22.311   4.424  12.676
   38   HG21  VAL 816          HG21      VAL   6  23.564   7.587  13.878
   39   HG22  VAL 816          HG22      VAL   6  23.609   7.148  15.586
   40   HG23  VAL 816          HG23      VAL   6  22.022   7.330  14.778
   41    H    GLN 817           H        GLN   7  20.313   3.919  16.033
   42    HA   GLN 817           HA       GLN   7  20.795   1.147  15.020
   43    HB2  GLN 817           HB2      GLN   7  19.443   0.439  17.033
   44    HB3  GLN 817           HB3      GLN   7  21.125   0.896  17.306
   45    HG2  GLN 817           HG2      GLN   7  20.511   3.072  18.159
   46    HG3  GLN 817           HG3      GLN   7  18.824   2.835  17.821
   47   HE21  GLN 817          HE21      GLN   7  19.508   3.639  20.286
   48   HE22  GLN 817          HE22      GLN   7  19.558   2.334  21.456
   49    H    HIS 818           H        HIS   8  19.661   1.219  13.226
   50    HA   HIS 818           HA       HIS   8  17.152   2.674  13.136
   51    HB2  HIS 818           HB2      HIS   8  18.809   1.148  11.133
   52    HB3  HIS 818           HB3      HIS   8  17.143   1.617  10.770
   53    HD2  HIS 818           HD2      HIS   8  20.165   3.594  12.247
   54    HE1  HIS 818           HE1      HIS   8  17.690   6.267  10.032
   55    HE2  HIS 818           HE2      HIS   8  19.726   6.116  11.517
   56    H    VAL 819           H        VAL   9  16.373   1.223  14.970
   57    HA   VAL 819           HA       VAL   9  15.517  -1.425  14.831
   58    HB   VAL 819           HB       VAL   9  14.289   0.878  16.308
   59   HG11  VAL 819          HG11      VAL   9  14.106  -2.126  16.819
   60   HG12  VAL 819          HG12      VAL   9  12.751  -1.101  16.266
   61   HG13  VAL 819          HG13      VAL   9  13.472  -0.842  17.864
   62   HG21  VAL 819          HG21      VAL   9  15.639  -0.016  18.192
   63   HG22  VAL 819          HG22      VAL   9  16.656   0.555  16.881
   64   HG23  VAL 819          HG23      VAL   9  16.396  -1.187  17.096
   65    H    GLY 820           H        GLY  10  14.670  -2.251  13.039
   66    HA2  GLY 820           HA2      GLY  10  12.503  -2.774  11.917
   67    HA3  GLY 820           HA3      GLY  10  12.216  -1.087  11.772
   68    H    PHE 821           H        PHE  11  15.536  -1.601  11.119
   69    HA   PHE 821           HA       PHE  11  15.018  -2.011   8.196
   70    HB2  PHE 821           HB2      PHE  11  16.814   0.128   9.323
   71    HB3  PHE 821           HB3      PHE  11  16.598  -0.252   7.639
   72    HD1  PHE 821           HD1      PHE  11  14.684   0.544   6.388
   73    HD2  PHE 821           HD2      PHE  11  14.926   1.205  10.640
   74    HE1  PHE 821           HE1      PHE  11  12.840   2.219   6.242
   75    HE2  PHE 821           HE2      PHE  11  13.093   2.872  10.492
   76    HZ   PHE 821           HZ       PHE  11  12.048   3.376   8.293
   77    H    LYS 822           H        LYS  12  15.868  -3.887   7.919
   78    HA   LYS 822           HA       LYS  12  18.070  -4.950   9.476
   79    HB2  LYS 822           HB2      LYS  12  16.016  -6.130   9.013
   80    HB3  LYS 822           HB3      LYS  12  16.248  -6.033   7.272
   81    HG2  LYS 822           HG2      LYS  12  18.027  -7.678   7.341
   82    HG3  LYS 822           HG3      LYS  12  18.154  -7.608   9.058
   83    HD2  LYS 822           HD2      LYS  12  16.167  -8.731   9.451
   84    HD3  LYS 822           HD3      LYS  12  15.423  -8.248   7.918
   85    HE2  LYS 822           HE2      LYS  12  16.738  -9.725   6.678
   86    HE3  LYS 822           HE3      LYS  12  17.717 -10.233   8.081
   87    HZ1  LYS 822           HZ1      LYS  12  15.667 -11.208   9.040
   88    HZ2  LYS 822           HZ2      LYS  12  15.963 -11.864   7.583
   89    HZ3  LYS 822           HZ3      LYS  12  14.787 -10.748   7.739
   90    H    CYS 823           H        CYS  13  20.080  -5.673   8.621
   91    HA   CYS 823           HA       CYS  13  21.148  -4.534   6.137
   92    HB2  CYS 823           HB2      CYS  13  22.631  -4.786   8.049
   93    HB3  CYS 823           HB3      CYS  13  22.259  -6.499   8.174
   94    H    ASP 824           H        ASP  14  20.606  -5.448   4.127
   95    HA   ASP 824           HA       ASP  14  19.476  -8.095   3.900
   96    HB2  ASP 824           HB2      ASP  14  20.746  -6.317   1.783
   97    HB3  ASP 824           HB3      ASP  14  19.854  -7.791   1.448
   98    H    ASN 825           H        ASN  15  22.775  -7.150   4.196
   99    HA   ASN 825           HA       ASN  15  23.816  -9.360   2.529
  100    HB2  ASN 825           HB2      ASN  15  24.804  -7.084   2.393
  101    HB3  ASN 825           HB3      ASN  15  25.281  -7.212   4.083
  102   HD21  ASN 825          HD21      ASN  15  27.258  -8.041   4.503
  103   HD22  ASN 825          HD22      ASN  15  28.140  -9.109   3.411
  104    H    CYS 826           H        CYS  16  24.031  -8.412   6.034
  105    HA   CYS 826           HA       CYS  16  24.660 -11.264   6.644
  106    HB2  CYS 826           HB2      CYS  16  25.813 -10.558   8.569
  107    HB3  CYS 826           HB3      CYS  16  26.416  -9.637   7.203
  108    H    GLY 827           H        GLY  17  22.037  -9.100   6.859
  109    HA2  GLY 827           HA2      GLY  17  19.917  -9.641   7.486
  110    HA3  GLY 827           HA3      GLY  17  20.466 -11.140   8.143
  111    H    ILE 828           H        ILE  18  22.141  -8.487   9.658
  112    HA   ILE 828           HA       ILE  18  20.640  -8.682  12.126
  113    HB   ILE 828           HB       ILE  18  22.892  -7.984  12.333
  114   HG12  ILE 828          HG12      ILE  18  21.440  -5.356  12.811
  115   HG13  ILE 828          HG13      ILE  18  20.939  -6.787  13.676
  116   HG21  ILE 828          HG21      ILE  18  23.252  -6.905  10.099
  117   HG22  ILE 828          HG22      ILE  18  23.904  -5.968  11.426
  118   HG23  ILE 828          HG23      ILE  18  22.375  -5.478  10.658
  119   HD11  ILE 828          HD11      ILE  18  22.511  -5.504  15.010
  120   HD12  ILE 828          HD12      ILE  18  23.748  -5.614  13.742
  121   HD13  ILE 828          HD13      ILE  18  23.208  -7.085  14.599
  122    H    GLU 829           H        GLU  19  18.699  -8.291  12.303
  123    HA   GLU 829           HA       GLU  19  17.232  -6.725  10.668
  124    HB2  GLU 829           HB2      GLU  19  15.324  -7.351  11.781
  125    HB3  GLU 829           HB3      GLU  19  16.441  -8.663  11.663
  126    HG2  GLU 829           HG2      GLU  19  15.793  -7.064  14.169
  127    HG3  GLU 829           HG3      GLU  19  15.209  -8.672  13.789
  128    HA   PRO 830           HA       PRO  20  17.649  -2.852  11.823
  129    HB2  PRO 830           HB2      PRO  20  17.568  -1.828  14.152
  130    HB3  PRO 830           HB3      PRO  20  16.269  -2.991  13.655
  131    HG2  PRO 830           HG2      PRO  20  18.613  -3.433  15.434
  132    HG3  PRO 830           HG3      PRO  20  16.946  -4.060  15.602
  133    HD2  PRO 830           HD2      PRO  20  19.255  -5.322  14.362
  134    HD3  PRO 830           HD3      PRO  20  17.584  -5.923  14.356
  135    H    ILE 831           H        ILE  21  19.308  -1.781  10.999
  136    HA   ILE 831           HA       ILE  21  21.969  -2.547  11.672
  137    HB   ILE 831           HB       ILE  21  20.849  -0.306   9.981
  138   HG12  ILE 831          HG12      ILE  21  22.370  -2.662   8.887
  139   HG13  ILE 831          HG13      ILE  21  20.778  -3.046   9.540
  140   HG21  ILE 831          HG21      ILE  21  23.048   0.410  10.632
  141   HG22  ILE 831          HG22      ILE  21  23.189  -0.274   9.006
  142   HG23  ILE 831          HG23      ILE  21  23.732  -1.209  10.415
  143   HD11  ILE 831          HD11      ILE  21  20.801  -2.484   7.083
  144   HD12  ILE 831          HD12      ILE  21  21.297  -0.832   7.499
  145   HD13  ILE 831          HD13      ILE  21  19.727  -1.431   8.019
  146    H    GLN 832           H        GLN  22  22.892  -2.158  13.537
  147    HA   GLN 832           HA       GLN  22  22.689   0.409  14.916
  148    HB2  GLN 832           HB2      GLN  22  24.059  -2.101  15.871
  149    HB3  GLN 832           HB3      GLN  22  23.634  -0.659  16.794
  150    HG2  GLN 832           HG2      GLN  22  21.147  -1.316  15.845
  151    HG3  GLN 832           HG3      GLN  22  21.882  -2.910  15.819
  152   HE21  GLN 832          HE21      GLN  22  19.619  -1.938  17.513
  153   HE22  GLN 832          HE22      GLN  22  20.190  -2.110  19.159
  154    H    GLY 833           H        GLY  23  24.375   1.783  15.372
  155    HA2  GLY 833           HA2      GLY  23  26.804   2.389  15.448
  156    HA3  GLY 833           HA3      GLY  23  27.022   1.420  14.010
  157    H    VAL 834           H        VAL  24  25.922   2.004  12.123
  158    HA   VAL 834           HA       VAL  24  24.708   4.630  11.720
  159    HB   VAL 834           HB       VAL  24  26.028   5.089   9.729
  160   HG11  VAL 834          HG11      VAL  24  26.496   6.235  11.815
  161   HG12  VAL 834          HG12      VAL  24  27.937   6.073  10.783
  162   HG13  VAL 834          HG13      VAL  24  27.761   5.032  12.202
  163   HG21  VAL 834          HG21      VAL  24  27.030   3.017   9.072
  164   HG22  VAL 834          HG22      VAL  24  27.979   2.974  10.594
  165   HG23  VAL 834          HG23      VAL  24  28.281   4.213   9.359
  166    H    ARG 835           H        ARG  25  23.164   4.448  10.064
  167    HA   ARG 835           HA       ARG  25  22.866   1.770   8.794
  168    HB2  ARG 835           HB2      ARG  25  20.876   2.643   9.644
  169    HB3  ARG 835           HB3      ARG  25  21.095   4.205   8.858
  170    HG2  ARG 835           HG2      ARG  25  20.744   3.162   6.632
  171    HG3  ARG 835           HG3      ARG  25  20.592   1.559   7.398
  172    HD2  ARG 835           HD2      ARG  25  18.623   2.279   8.622
  173    HD3  ARG 835           HD3      ARG  25  18.868   3.962   8.092
  174    HE   ARG 835           HE       ARG  25  18.450   2.064   5.888
  175   HH11  ARG 835          HH11      ARG  25  16.822   2.215   4.692
  176   HH12  ARG 835          HH12      ARG  25  15.394   3.181   5.094
  177   HH21  ARG 835          HH21      ARG  25  16.674   3.969   8.255
  178   HH22  ARG 835          HH22      ARG  25  15.298   4.099   7.194
  179    H    TRP 836           H        TRP  26  23.539   1.197   6.802
  180    HA   TRP 836           HA       TRP  26  24.374   3.334   4.896
  181    HB2  TRP 836           HB2      TRP  26  25.117   0.472   5.412
  182    HB3  TRP 836           HB3      TRP  26  25.242   1.026   3.822
  183    HD1  TRP 836           HD1      TRP  26  26.910   0.955   7.076
  184    HE1  TRP 836           HE1      TRP  26  29.263   1.965   6.887
  185    HE3  TRP 836           HE3      TRP  26  26.341   3.463   2.657
  186    HZ2  TRP 836           HZ2      TRP  26  30.586   3.948   5.231
  187    HZ3  TRP 836           HZ3      TRP  26  28.197   4.854   1.756
  188    HH2  TRP 836           HH2      TRP  26  30.298   5.132   3.048
  189    H    HIS 837           H        HIS  27  22.400   4.008   4.072
  190    HA   HIS 837           HA       HIS  27  20.241   2.120   3.361
  191    HB2  HIS 837           HB2      HIS  27  19.664   4.266   4.274
  192    HB3  HIS 837           HB3      HIS  27  20.651   5.113   3.080
  193    HD2  HIS 837           HD2      HIS  27  19.264   6.215   1.254
  194    HE1  HIS 837           HE1      HIS  27  15.927   3.561   1.115
  195    HE2  HIS 837           HE2      HIS  27  16.918   5.705   0.160
  196    H    CYS 838           H        CYS  28  19.690   1.368   1.299
  197    HA   CYS 838           HA       CYS  28  21.553   1.857  -0.916
  198    HB2  CYS 838           HB2      CYS  28  19.225   0.065  -0.331
  199    HB3  CYS 838           HB3      CYS  28  19.561   0.429  -1.962
  200    H    GLN 839           H        GLN  29  21.424   3.717  -1.900
  201    HA   GLN 839           HA       GLN  29  19.336   5.616  -1.725
  202    HB2  GLN 839           HB2      GLN  29  21.772   5.315  -3.504
  203    HB3  GLN 839           HB3      GLN  29  20.802   6.694  -3.652
  204    HG2  GLN 839           HG2      GLN  29  21.945   5.897  -0.930
  205    HG3  GLN 839           HG3      GLN  29  22.858   6.836  -2.115
  206   HE21  GLN 839          HE21      GLN  29  22.021   8.979  -2.779
  207   HE22  GLN 839          HE22      GLN  29  20.859   9.782  -1.744
  208    H    ASP 840           H        ASP  30  19.882   3.183  -4.382
  209    HA   ASP 840           HA       ASP  30  17.998   4.759  -6.055
  210    HB2  ASP 840           HB2      ASP  30  20.424   3.847  -6.711
  211    HB3  ASP 840           HB3      ASP  30  19.520   2.407  -7.142
  212    H    CYS 841           H        CYS  31  18.437   1.644  -4.460
  213    HA   CYS 841           HA       CYS  31  16.505   0.183  -5.764
  214    HB2  CYS 841           HB2      CYS  31  16.870  -0.159  -2.863
  215    HB3  CYS 841           HB3      CYS  31  16.600  -1.339  -3.973
  216    HA   PRO 842           HA       PRO  32  12.713   2.203  -4.561
  217    HB2  PRO 842           HB2      PRO  32  10.931   0.424  -5.620
  218    HB3  PRO 842           HB3      PRO  32  12.184   1.183  -6.637
  219    HG2  PRO 842           HG2      PRO  32  12.297  -1.520  -5.236
  220    HG3  PRO 842           HG3      PRO  32  12.575  -1.172  -6.967
  221    HD2  PRO 842           HD2      PRO  32  14.664  -1.318  -5.280
  222    HD3  PRO 842           HD3      PRO  32  14.600  -0.112  -6.596
  223    HA   PRO 843           HA       PRO  33  10.866   0.830  -0.734
  224    HB2  PRO 843           HB2      PRO  33   8.137   0.427  -1.861
  225    HB3  PRO 843           HB3      PRO  33   8.672   1.498  -0.537
  226    HG2  PRO 843           HG2      PRO  33   7.991   2.300  -3.094
  227    HG3  PRO 843           HG3      PRO  33   9.111   3.232  -2.028
  228    HD2  PRO 843           HD2      PRO  33   9.691   1.552  -4.409
  229    HD3  PRO 843           HD3      PRO  33  10.645   2.889  -3.706
  230    H    GLU 844           H        GLU  34  10.311  -1.261  -3.555
  231    HA   GLU 844           HA       GLU  34   8.919  -3.358  -2.119
  232    HB2  GLU 844           HB2      GLU  34  10.190  -3.015  -4.878
  233    HB3  GLU 844           HB3      GLU  34   9.705  -4.601  -4.339
  234    HG2  GLU 844           HG2      GLU  34   7.988  -3.683  -5.683
  235    HG3  GLU 844           HG3      GLU  34   7.381  -3.853  -4.034
  236    H    MET 845           H        MET  35  12.111  -2.577  -3.175
  237    HA   MET 845           HA       MET  35  13.506  -4.929  -2.080
  238    HB2  MET 845           HB2      MET  35  13.159  -4.730  -4.512
  239    HB3  MET 845           HB3      MET  35  13.770  -3.113  -4.500
  240    HG2  MET 845           HG2      MET  35  15.454  -4.669  -5.327
  241    HG3  MET 845           HG3      MET  35  16.001  -3.999  -3.852
  242    HE1  MET 845           HE1      MET  35  13.434  -7.061  -4.478
  243    HE2  MET 845           HE2      MET  35  14.604  -8.393  -4.453
  244    HE3  MET 845           HE3      MET  35  14.701  -7.161  -5.725
  245    H    SER 846           H        SER  36  12.963  -2.894  -0.379
  246    HA   SER 846           HA       SER  36  14.817  -0.669  -0.723
  247    HB2  SER 846           HB2      SER  36  13.765   0.175   1.376
  248    HB3  SER 846           HB3      SER  36  12.700  -0.184  -0.006
  249    HG   SER 846           HG       SER  36  11.666  -1.591   1.228
  250    H    LEU 847           H        LEU  37  16.594  -2.084  -0.872
  251    HA   LEU 847           HA       LEU  37  17.595  -3.585   1.201
  252    HB2  LEU 847           HB2      LEU  37  18.902  -2.267  -1.127
  253    HB3  LEU 847           HB3      LEU  37  19.897  -2.875   0.193
  254    HG   LEU 847           HG       LEU  37  18.419  -5.055  -0.192
  255   HD11  LEU 847          HD11      LEU  37  18.628  -3.760  -2.869
  256   HD12  LEU 847          HD12      LEU  37  17.172  -4.334  -2.013
  257   HD13  LEU 847          HD13      LEU  37  18.357  -5.506  -2.603
  258   HD21  LEU 847          HD21      LEU  37  20.874  -4.932  -0.085
  259   HD22  LEU 847          HD22      LEU  37  20.911  -4.296  -1.730
  260   HD23  LEU 847          HD23      LEU  37  20.351  -5.957  -1.431
  261    H    ASP 848           H        ASP  38  19.242  -3.233   2.658
  262    HA   ASP 848           HA       ASP  38  20.428  -0.621   3.146
  263    HB2  ASP 848           HB2      ASP  38  19.103  -2.033   5.474
  264    HB3  ASP 848           HB3      ASP  38  20.030  -0.536   5.503
  265    H    PHE 849           H        PHE  39  22.401  -0.835   4.290
  266    HA   PHE 849           HA       PHE  39  23.330  -3.575   4.939
  267    HB2  PHE 849           HB2      PHE  39  24.921  -1.393   3.609
  268    HB3  PHE 849           HB3      PHE  39  25.585  -2.881   4.241
  269    HD1  PHE 849           HD1      PHE  39  25.714  -1.669   1.364
  270    HD2  PHE 849           HD2      PHE  39  23.255  -4.752   3.131
  271    HE1  PHE 849           HE1      PHE  39  25.475  -2.767  -0.845
  272    HE2  PHE 849           HE2      PHE  39  22.895  -5.737   0.875
  273    HZ   PHE 849           HZ       PHE  39  24.071  -4.797  -1.083
  274    H    CYS 850           H        CYS  40  24.909  -3.721   6.591
  275    HA   CYS 850           HA       CYS  40  24.878  -1.437   8.464
  276    HB2  CYS 850           HB2      CYS  40  25.685  -3.004  10.156
  277    HB3  CYS 850           HB3      CYS  40  24.201  -3.597   9.421
  278    H    ASP 851           H        ASP  41  27.034  -0.920   9.573
  279    HA   ASP 851           HA       ASP  41  28.826  -0.179   7.449
  280    HB2  ASP 851           HB2      ASP  41  28.424   1.176   9.387
  281    HB3  ASP 851           HB3      ASP  41  29.186   0.036  10.463
  282    H    SER 852           H        SER  42  28.721  -3.042   9.362
  283    HA   SER 852           HA       SER  42  31.399  -4.051   8.799
  284    HB2  SER 852           HB2      SER  42  28.733  -5.441   9.253
  285    HB3  SER 852           HB3      SER  42  30.244  -6.280   9.222
  286    HG   SER 852           HG       SER  42  30.890  -5.120  11.119
  287    H    CYS 853           H        CYS  43  28.417  -3.719   6.999
  288    HA   CYS 853           HA       CYS  43  29.184  -5.781   5.051
  289    HB2  CYS 853           HB2      CYS  43  26.562  -4.768   6.136
  290    HB3  CYS 853           HB3      CYS  43  26.617  -5.537   4.550
  291    H    SER 854           H        SER  44  28.682  -2.210   5.089
  292    HA   SER 854           HA       SER  44  27.653  -2.066   2.448
  293    HB2  SER 854           HB2      SER  44  28.212   0.363   2.668
  294    HB3  SER 854           HB3      SER  44  27.279  -0.361   3.967
  295    HG   SER 854           HG       SER  44  29.139   0.928   4.713
  296    H    ASP 855           H        ASP  45  30.831  -2.909   3.239
  297    HA   ASP 855           HA       ASP  45  32.190  -1.846   0.906
  298    HB2  ASP 855           HB2      ASP  45  32.646  -4.402   2.507
  299    HB3  ASP 855           HB3      ASP  45  33.750  -3.756   1.294
  300    H    CYS 856           H        CYS  46  29.601  -4.046   1.234
  301    HA   CYS 856           HA       CYS  46  30.147  -5.739  -1.075
  302    HB2  CYS 856           HB2      CYS  46  28.874  -6.563   0.793
  303    HB3  CYS 856           HB3      CYS  46  27.645  -5.292   0.607
  304    HG   CYS 856           HG       CYS  46  26.919  -7.824  -0.165
  305    H    LEU 857           H        LEU  47  29.305  -5.649  -3.036
  306    HA   LEU 857           HA       LEU  47  27.637  -3.382  -3.976
  307    HB2  LEU 857           HB2      LEU  47  30.115  -2.734  -4.040
  308    HB3  LEU 857           HB3      LEU  47  30.300  -3.986  -5.270
  309    HG   LEU 857           HG       LEU  47  28.455  -2.799  -6.574
  310   HD11  LEU 857          HD11      LEU  47  29.001  -0.577  -4.565
  311   HD12  LEU 857          HD12      LEU  47  27.448  -1.400  -4.841
  312   HD13  LEU 857          HD13      LEU  47  28.134  -0.373  -6.100
  313   HD21  LEU 857          HD21      LEU  47  30.859  -2.575  -7.150
  314   HD22  LEU 857          HD22      LEU  47  31.000  -1.216  -6.016
  315   HD23  LEU 857          HD23      LEU  47  29.981  -1.069  -7.464
  316    H    HIS 858           H        HIS  48  26.462  -5.489  -3.672
  317    HA   HIS 858           HA       HIS  48  26.576  -7.565  -5.713
  318    HB2  HIS 858           HB2      HIS  48  25.769  -7.831  -3.329
  319    HB3  HIS 858           HB3      HIS  48  24.419  -6.783  -3.699
  320    HD2  HIS 858           HD2      HIS  48  22.432  -8.427  -3.450
  321    HE1  HIS 858           HE1      HIS  48  23.829 -11.596  -5.955
  322    HE2  HIS 858           HE2      HIS  48  21.875 -10.768  -4.542
  323    H    GLU 859           H        GLU  49  24.735  -8.210  -6.955
  324    HA   GLU 859           HA       GLU  49  23.185  -6.000  -8.074
  325    HB2  GLU 859           HB2      GLU  49  24.633  -8.022  -9.810
  326    HB3  GLU 859           HB3      GLU  49  23.557  -6.727 -10.244
  327    HG2  GLU 859           HG2      GLU  49  25.386  -5.166  -9.066
  328    HG3  GLU 859           HG3      GLU  49  26.416  -6.556  -9.402
  329    H    THR 860           H        THR  50  21.131  -6.499  -8.188
  330    HA   THR 860           HA       THR  50  20.159  -9.320  -8.460
  331    HB   THR 860           HB       THR  50  18.226  -8.799  -7.185
  332    HG1  THR 860           HG1      THR  50  17.830  -6.779  -6.331
  333   HG21  THR 860          HG21      THR  50  20.537  -7.598  -5.609
  334   HG22  THR 860          HG22      THR  50  20.199  -9.338  -5.789
  335   HG23  THR 860          HG23      THR  50  19.036  -8.287  -4.962
  336    H    ASP 861           H        ASP  51  17.432  -8.439  -9.035
  337    HA   ASP 861           HA       ASP  51  17.618  -7.612 -11.805
  338    HB2  ASP 861           HB2      ASP  51  15.275  -7.620  -9.869
  339    HB3  ASP 861           HB3      ASP  51  15.153  -7.357 -11.606
  340    H    ILE 862           H        ILE  52  17.655  -5.820  -8.816
  341    HA   ILE 862           HA       ILE  52  17.198  -3.226 -10.228
  342    HB   ILE 862           HB       ILE  52  15.991  -4.040  -7.553
  343   HG12  ILE 862          HG12      ILE  52  14.835  -3.855 -10.344
  344   HG13  ILE 862          HG13      ILE  52  14.805  -5.220  -9.234
  345   HG21  ILE 862          HG21      ILE  52  16.525  -1.737  -7.460
  346   HG22  ILE 862          HG22      ILE  52  14.830  -1.773  -7.923
  347   HG23  ILE 862          HG23      ILE  52  16.070  -1.466  -9.158
  348   HD11  ILE 862          HD11      ILE  52  13.287  -3.912  -7.714
  349   HD12  ILE 862          HD12      ILE  52  12.602  -4.381  -9.278
  350   HD13  ILE 862          HD13      ILE  52  13.121  -2.712  -9.025
  351    H    HIS 863           H        HIS  53  18.579  -4.764  -7.265
  352    HA   HIS 863           HA       HIS  53  20.137  -2.366  -6.616
  353    HB2  HIS 863           HB2      HIS  53  19.363  -3.912  -4.898
  354    HB3  HIS 863           HB3      HIS  53  20.208  -5.245  -5.638
  355    HD2  HIS 863           HD2      HIS  53  22.677  -5.650  -5.043
  356    HE1  HIS 863           HE1      HIS  53  23.338  -2.260  -2.562
  357    H    LYS 864           H        LYS  54  22.329  -2.028  -7.289
  358    HA   LYS 864           HA       LYS  54  23.551  -3.897  -9.231
  359    HB2  LYS 864           HB2      LYS  54  22.822  -1.017  -9.905
  360    HB3  LYS 864           HB3      LYS  54  23.766  -2.081 -10.934
  361    HG2  LYS 864           HG2      LYS  54  20.871  -2.434 -10.207
  362    HG3  LYS 864           HG3      LYS  54  21.462  -1.755 -11.710
  363    HD2  LYS 864           HD2      LYS  54  22.402  -3.809 -12.463
  364    HD3  LYS 864           HD3      LYS  54  22.214  -4.599 -10.888
  365    HE2  LYS 864           HE2      LYS  54  19.790  -4.452 -11.016
  366    HE3  LYS 864           HE3      LYS  54  19.876  -3.544 -12.522
  367    HZ1  LYS 864           HZ1      LYS  54  19.461  -5.782 -13.143
  368    HZ2  LYS 864           HZ2      LYS  54  20.590  -6.396 -12.131
  369    HZ3  LYS 864           HZ3      LYS  54  21.043  -5.568 -13.494
  370    H    GLU 865           H        GLU  55  25.647  -3.208  -9.998
  371    HA   GLU 865           HA       GLU  55  27.261  -1.877  -8.023
  372    HB2  GLU 865           HB2      GLU  55  27.785  -2.623 -10.913
  373    HB3  GLU 865           HB3      GLU  55  29.000  -1.855  -9.886
  374    HG2  GLU 865           HG2      GLU  55  29.143  -3.760  -8.455
  375    HG3  GLU 865           HG3      GLU  55  27.697  -4.491  -9.147
  376    H    ASP 866           H        ASP  56  25.047  -0.694 -10.299
  377    HA   ASP 866           HA       ASP  56  26.493   1.842 -10.969
  378    HB2  ASP 866           HB2      ASP  56  23.839   0.695 -11.926
  379    HB3  ASP 866           HB3      ASP  56  24.536   2.227 -12.457
  380    H    HIS 867           H        HIS  57  24.043   0.572  -8.910
  381    HA   HIS 867           HA       HIS  57  22.707   2.984  -8.111
  382    HB2  HIS 867           HB2      HIS  57  21.380   1.175  -7.847
  383    HB3  HIS 867           HB3      HIS  57  22.693   0.042  -7.692
  384    HD2  HIS 867           HD2      HIS  57  23.477  -0.666  -5.367
  385    HE1  HIS 867           HE1      HIS  57  20.733   1.702  -3.134
  386    H    GLN 868           H        GLN  58  22.759   3.356  -5.585
  387    HA   GLN 868           HA       GLN  58  25.586   3.871  -4.776
  388    HB2  GLN 868           HB2      GLN  58  23.346   5.874  -4.896
  389    HB3  GLN 868           HB3      GLN  58  24.919   6.166  -4.149
  390    HG2  GLN 868           HG2      GLN  58  24.482   5.485  -7.104
  391    HG3  GLN 868           HG3      GLN  58  24.624   7.103  -6.446
  392   HE21  GLN 868          HE21      GLN  58  26.489   4.034  -6.960
  393   HE22  GLN 868          HE22      GLN  58  28.043   4.855  -6.866
  394    H    LEU 869           H        LEU  59  26.167   3.886  -2.646
  395    HA   LEU 869           HA       LEU  59  24.077   3.192  -0.643
  396    HB2  LEU 869           HB2      LEU  59  27.099   2.899  -0.511
  397    HB3  LEU 869           HB3      LEU  59  25.930   2.351   0.672
  398    HG   LEU 869           HG       LEU  59  26.692   0.489  -0.463
  399   HD11  LEU 869          HD11      LEU  59  24.296   0.452   0.034
  400   HD12  LEU 869          HD12      LEU  59  24.657  -0.511  -1.411
  401   HD13  LEU 869          HD13      LEU  59  23.934   1.082  -1.604
  402   HD21  LEU 869          HD21      LEU  59  26.756  -0.037  -2.728
  403   HD22  LEU 869          HD22      LEU  59  27.514   1.550  -2.577
  404   HD23  LEU 869          HD23      LEU  59  25.851   1.399  -3.211
  405    H    GLU 870           H        GLU  60  23.824   4.384   1.239
  406    HA   GLU 870           HA       GLU  60  25.331   6.964   1.429
  407    HB2  GLU 870           HB2      GLU  60  23.291   7.391   0.331
  408    HB3  GLU 870           HB3      GLU  60  22.363   6.449   1.493
  409    HG2  GLU 870           HG2      GLU  60  21.902   8.711   1.918
  410    HG3  GLU 870           HG3      GLU  60  22.899   8.150   3.242
  411    HA   PRO 871           HA       PRO  61  25.627   5.580   5.800
  412    HB2  PRO 871           HB2      PRO  61  27.318   7.478   6.665
  413    HB3  PRO 871           HB3      PRO  61  27.856   6.097   5.670
  414    HG2  PRO 871           HG2      PRO  61  27.315   8.948   4.825
  415    HG3  PRO 871           HG3      PRO  61  28.659   7.873   4.327
  416    HD2  PRO 871           HD2      PRO  61  26.357   8.301   2.846
  417    HD3  PRO 871           HD3      PRO  61  27.332   6.820   2.728
  418    H    ILE 872           H        ILE  62  24.273   6.063   7.371
  419    HA   ILE 872           HA       ILE  62  23.137   8.813   7.682
  420    HB   ILE 872           HB       ILE  62  21.810   6.119   8.043
  421   HG12  ILE 872          HG12      ILE  62  21.326   8.359   6.037
  422   HG13  ILE 872          HG13      ILE  62  22.055   6.786   5.699
  423   HG21  ILE 872          HG21      ILE  62  21.068   7.695   9.789
  424   HG22  ILE 872          HG22      ILE  62  19.779   7.412   8.641
  425   HG23  ILE 872          HG23      ILE  62  20.715   8.921   8.548
  426   HD11  ILE 872          HD11      ILE  62  19.789   6.724   4.934
  427   HD12  ILE 872          HD12      ILE  62  19.162   7.287   6.482
  428   HD13  ILE 872          HD13      ILE  62  19.908   5.672   6.365
  429    H    TYR 873           H        TYR  63  23.843   9.755   9.385
  430    HA   TYR 873           HA       TYR  63  24.878   8.245  11.723
  431    HB2  TYR 873           HB2      TYR  63  25.301  11.131  10.898
  432    HB3  TYR 873           HB3      TYR  63  26.043  10.246  12.235
  433    HD1  TYR 873           HD1      TYR  63  26.220   7.709  10.077
  434    HD2  TYR 873           HD2      TYR  63  27.694  11.745  10.332
  435    HE1  TYR 873           HE1      TYR  63  28.216   7.053   8.742
  436    HE2  TYR 873           HE2      TYR  63  29.655  11.119   8.931
  437    HH   TYR 873           HH       TYR  63  30.760   9.419   7.832
  438    H    ARG 874           H        ARG  64  22.114   8.558  11.505
  439    HA   ARG 874           HA       ARG  64  21.540   9.611  14.096
  440    HB2  ARG 874           HB2      ARG  64  19.784  11.295  13.392
  441    HB3  ARG 874           HB3      ARG  64  21.446  11.754  13.121
  442    HG2  ARG 874           HG2      ARG  64  20.170  12.477  11.265
  443    HG3  ARG 874           HG3      ARG  64  21.221  11.191  10.695
  444    HD2  ARG 874           HD2      ARG  64  19.338   9.619  10.743
  445    HD3  ARG 874           HD3      ARG  64  18.281  10.883  11.409
  446    HE   ARG 874           HE       ARG  64  19.398  11.862   8.993
  447   HH11  ARG 874          HH11      ARG  64  18.264  11.901   7.083
  448   HH12  ARG 874          HH12      ARG  64  16.896  10.855   6.857
  449   HH21  ARG 874          HH21      ARG  64  17.101   9.406   9.966
  450   HH22  ARG 874          HH22      ARG  64  16.235   9.480   8.456
  451    H1   ALA   1           H1       ALA  65  16.711  -2.512   3.946
  452    H2   ALA   1           H2       ALA  65  17.405  -3.889   3.338
  453    H3   ALA   1           H3       ALA  65  17.286  -3.686   4.956
  454    HA   ALA   1           HA       ALA  65  15.033  -3.960   3.104
  455    HB1  ALA   1           HB1      ALA  65  15.932  -6.095   3.200
  456    HB2  ALA   1           HB2      ALA  65  14.668  -6.144   4.419
  457    HB3  ALA   1           HB3      ALA  65  16.370  -5.974   4.930
  458    H    ARG   2           H        ARG  66  13.211  -2.939   3.832
  459    HA   ARG   2           HA       ARG  66  12.915  -2.079   6.597
  460    HB2  ARG   2           HB2      ARG  66  10.938  -2.424   4.292
  461    HB3  ARG   2           HB3      ARG  66  10.460  -1.896   5.908
  462    HG2  ARG   2           HG2      ARG  66  12.162  -0.024   5.727
  463    HG3  ARG   2           HG3      ARG  66  12.429  -0.480   4.049
  464    HD2  ARG   2           HD2      ARG  66  10.856   1.371   4.144
  465    HD3  ARG   2           HD3      ARG  66  10.003  -0.082   3.595
  466    HE   ARG   2           HE       ARG  66   9.842   0.193   6.479
  467   HH11  ARG   2          HH11      ARG  66   6.601   1.303   6.476
  468   HH12  ARG   2          HH12      ARG  66   7.830   0.385   7.358
  469   HH21  ARG   2          HH21      ARG  66   8.432   1.733   3.657
  470   HH22  ARG   2          HH22      ARG  66   6.915   2.006   4.483
  471    H    THR   3           H        THR  67  12.229  -3.108   8.328
  472    HA   THR   3           HA       THR  67  10.695  -5.682   8.086
  473    HB   THR   3           HB       THR  67  11.708  -6.335  10.240
  474    HG1  THR   3           HG1      THR  67  13.502  -5.163  10.968
  475   HG21  THR   3          HG21      THR  67  12.833  -7.008   8.024
  476   HG22  THR   3          HG22      THR  67  13.923  -6.926   9.406
  477   HG23  THR   3          HG23      THR  67  13.884  -5.588   8.235
  478    H    LYS   4           H        LYS  68  10.774  -2.476   9.494
  479    HA   LYS   4           HA       LYS  68   8.380  -3.019  11.177
  480    HB2  LYS   4           HB2      LYS  68  10.119  -1.732  12.185
  481    HB3  LYS   4           HB3      LYS  68  10.171  -0.590  10.824
  482    HG2  LYS   4           HG2      LYS  68   7.965   0.219  11.359
  483    HG3  LYS   4           HG3      LYS  68   7.775  -0.952  12.672
  484    HD2  LYS   4           HD2      LYS  68   9.921   1.230  12.563
  485    HD3  LYS   4           HD3      LYS  68   8.345   1.420  13.345
  486    HE2  LYS   4           HE2      LYS  68   8.845  -0.509  14.844
  487    HE3  LYS   4           HE3      LYS  68  10.454  -0.649  14.119
  488    HZ1  LYS   4           HZ1      LYS  68  10.470   0.672  16.194
  489    HZ2  LYS   4           HZ2      LYS  68   9.464   1.776  15.547
  490    HZ3  LYS   4           HZ3      LYS  68  10.969   1.577  14.924
  491    H    GLN   5           H        GLN  69   6.368  -2.519  10.653
  492    HA   GLN   5           HA       GLN  69   5.625  -1.747   7.966
  493    HB2  GLN   5           HB2      GLN  69   3.939  -2.020  10.494
  494    HB3  GLN   5           HB3      GLN  69   3.317  -1.784   8.856
  495    HG2  GLN   5           HG2      GLN  69   4.511  -3.919   8.169
  496    HG3  GLN   5           HG3      GLN  69   4.868  -4.199   9.872
  497   HE21  GLN   5          HE21      GLN  69   3.580  -6.253   9.071
  498   HE22  GLN   5          HE22      GLN  69   1.844  -6.173   9.345
  499    H    THR   6           H        THR  70   4.368   0.048   7.290
  500    HA   THR   6           HA       THR  70   5.271   2.630   8.241
  501    HB   THR   6           HB       THR  70   3.035   1.930   6.303
  502    HG1  THR   6           HG1      THR  70   4.568   1.891   4.789
  503   HG21  THR   6          HG21      THR  70   4.708   4.466   6.603
  504   HG22  THR   6          HG22      THR  70   2.944   4.325   6.827
  505   HG23  THR   6          HG23      THR  70   3.649   4.104   5.226
  506    H    ALA   7           H        ALA  71   4.014   4.340   9.158
  507    HA   ALA   7           HA       ALA  71   2.189   3.557  11.243
  508    HB1  ALA   7           HB1      ALA  71   3.899   5.294  11.508
  509    HB2  ALA   7           HB2      ALA  71   2.286   5.948  11.815
  510    HB3  ALA   7           HB3      ALA  71   3.102   6.296  10.275
  511    H    ARG   8           H        ARG  72   0.772   2.574   9.376
  512    HA   ARG   8           HA       ARG  72  -0.979   4.226   7.833
  513    HB2  ARG   8           HB2      ARG  72  -2.215   2.111   7.407
  514    HB3  ARG   8           HB3      ARG  72  -0.480   1.997   7.153
  515    HG2  ARG   8           HG2      ARG  72  -0.219   0.851   9.352
  516    HG3  ARG   8           HG3      ARG  72  -1.967   0.931   9.605
  517    HD2  ARG   8           HD2      ARG  72  -2.393  -0.564   7.778
  518    HD3  ARG   8           HD3      ARG  72  -0.760  -0.362   7.140
  519    HE   ARG   8           HE       ARG  72   0.114  -1.852   8.687
  520   HH11  ARG   8          HH11      ARG  72  -3.322  -1.436   9.557
  521   HH12  ARG   8          HH12      ARG  72  -3.249  -2.934  10.476
  522   HH21  ARG   8          HH21      ARG  72  -0.009  -3.625  10.028
  523   HH22  ARG   8          HH22      ARG  72  -1.575  -3.987  10.798
  524    H    LYS   9           H        LYS  73  -1.347   3.156  11.120
  525    HA   LYS   9           HA       LYS  73  -2.991   3.364  12.697
  526    HB2  LYS   9           HB2      LYS  73  -2.018   5.694  12.151
  527    HB3  LYS   9           HB3      LYS  73  -3.582   6.039  11.406
  528    HG2  LYS   9           HG2      LYS  73  -4.692   5.557  13.620
  529    HG3  LYS   9           HG3      LYS  73  -3.114   5.143  14.296
  530    HD2  LYS   9           HD2      LYS  73  -3.700   7.355  15.009
  531    HD3  LYS   9           HD3      LYS  73  -2.329   7.464  13.895
  532    HE2  LYS   9           HE2      LYS  73  -3.884   8.108  12.054
  533    HE3  LYS   9           HE3      LYS  73  -5.259   7.945  13.153
  534    HZ1  LYS   9           HZ1      LYS  73  -3.040   9.911  13.483
  535    HZ2  LYS   9           HZ2      LYS  73  -4.314   9.763  14.492
  536    HZ3  LYS   9           HZ3      LYS  73  -4.549  10.265  12.959
  537    H    SER  10           H        SER  74  -3.913   1.819  10.588
  538    HA   SER  10           HA       SER  74  -6.823   1.982  10.890
  539    HB2  SER  10           HB2      SER  74  -6.476   3.566   9.052
  540    HB3  SER  10           HB3      SER  74  -5.530   2.358   8.160
  541    HG   SER  10           HG       SER  74  -7.762   2.486   7.488
  542    H    THR  11           H        THR  75  -7.849   0.069  10.478
  543    HA   THR  11           HA       THR  75  -8.091  -2.205  10.488
  544    HB   THR  11           HB       THR  75  -6.513  -2.042   7.900
  545    HG1  THR  11           HG1      THR  75  -8.082  -0.399   8.010
  546   HG21  THR  11          HG21      THR  75  -8.894  -3.757   8.768
  547   HG22  THR  11          HG22      THR  75  -7.248  -4.346   8.459
  548   HG23  THR  11          HG23      THR  75  -8.210  -3.701   7.129
  549    H    GLY  12           H        GLY  76  -6.387  -1.822  12.335
  550    HA2  GLY  12           HA2      GLY  76  -3.755  -2.248  12.477
  551    HA3  GLY  12           HA3      GLY  76  -4.837  -2.881  13.703
  Start of MODEL    2
    1    H1   GLY 811           H1       GLY   1  23.470   8.260  22.517
    2    H2   GLY 811           H2       GLY   1  23.217   7.167  21.325
    3    H3   GLY 811           H3       GLY   1  22.751   8.723  21.125
    4    HA2  GLY 811           HA2      GLY   1  25.040   9.493  21.169
    5    HA3  GLY 811           HA3      GLY   1  25.559   7.815  21.405
    6    HA   PRO 812           HA       PRO   2  24.892   8.761  16.731
    7    HB2  PRO 812           HB2      PRO   2  26.816  10.403  15.907
    8    HB3  PRO 812           HB3      PRO   2  25.488  10.999  16.943
    9    HG2  PRO 812           HG2      PRO   2  28.192  10.229  17.836
   10    HG3  PRO 812           HG3      PRO   2  27.346  11.776  18.133
   11    HD2  PRO 812           HD2      PRO   2  27.289   9.680  19.927
   12    HD3  PRO 812           HD3      PRO   2  25.925  10.821  19.713
   13    H    LEU 813           H        LEU   3  26.290   8.342  14.847
   14    HA   LEU 813           HA       LEU   3  27.502   6.965  13.634
   15    HB2  LEU 813           HB2      LEU   3  29.185   8.603  14.716
   16    HB3  LEU 813           HB3      LEU   3  29.706   7.255  15.705
   17    HG   LEU 813           HG       LEU   3  30.067   6.051  13.379
   18   HD11  LEU 813          HD11      LEU   3  30.170   8.972  12.503
   19   HD12  LEU 813          HD12      LEU   3  28.911   7.825  12.029
   20   HD13  LEU 813          HD13      LEU   3  30.579   7.549  11.518
   21   HD21  LEU 813          HD21      LEU   3  31.865   8.340  14.220
   22   HD22  LEU 813          HD22      LEU   3  32.308   6.961  13.181
   23   HD23  LEU 813          HD23      LEU   3  31.884   6.681  14.875
   24    H    GLY 814           H        GLY   4  29.673   5.049  15.213
   25    HA2  GLY 814           HA2      GLY   4  28.539   2.602  15.298
   26    HA3  GLY 814           HA3      GLY   4  29.819   3.135  16.361
   27    H    SER 815           H        SER   5  26.753   4.669  16.951
   28    HA   SER 815           HA       SER   5  25.854   2.641  18.911
   29    HB2  SER 815           HB2      SER   5  25.727   5.625  19.428
   30    HB3  SER 815           HB3      SER   5  25.371   4.335  20.584
   31    HG   SER 815           HG       SER   5  27.573   3.828  20.707
   32    H    VAL 816           H        VAL   6  25.083   4.329  16.183
   33    HA   VAL 816           HA       VAL   6  22.320   4.949  16.879
   34    HB   VAL 816           HB       VAL   6  24.221   5.312  14.626
   35   HG11  VAL 816          HG11      VAL   6  22.606   6.072  13.106
   36   HG12  VAL 816          HG12      VAL   6  21.248   5.584  14.179
   37   HG13  VAL 816          HG13      VAL   6  22.288   4.342  13.433
   38   HG21  VAL 816          HG21      VAL   6  23.719   6.885  16.460
   39   HG22  VAL 816          HG22      VAL   6  22.004   6.922  15.930
   40   HG23  VAL 816          HG23      VAL   6  23.292   7.497  14.870
   41    H    GLN 817           H        GLN   7  20.572   3.870  15.764
   42    HA   GLN 817           HA       GLN   7  20.952   1.040  15.089
   43    HB2  GLN 817           HB2      GLN   7  19.599   0.333  17.136
   44    HB3  GLN 817           HB3      GLN   7  21.311   0.685  17.316
   45    HG2  GLN 817           HG2      GLN   7  20.900   2.892  18.253
   46    HG3  GLN 817           HG3      GLN   7  19.178   2.719  18.052
   47   HE21  GLN 817          HE21      GLN   7  20.194   2.095  21.594
   48   HE22  GLN 817          HE22      GLN   7  20.027   3.435  20.473
   49    H    HIS 818           H        HIS   8  19.829   1.197  13.339
   50    HA   HIS 818           HA       HIS   8  17.329   2.687  13.242
   51    HB2  HIS 818           HB2      HIS   8  19.041   1.186  11.263
   52    HB3  HIS 818           HB3      HIS   8  17.396   1.644  10.845
   53    HD2  HIS 818           HD2      HIS   8  20.471   3.555  12.320
   54    HE1  HIS 818           HE1      HIS   8  17.950   6.351  10.316
   55    HE2  HIS 818           HE2      HIS   8  20.052   6.110  11.685
   56    H    VAL 819           H        VAL   9  16.617   1.235  15.075
   57    HA   VAL 819           HA       VAL   9  15.601  -1.365  14.939
   58    HB   VAL 819           HB       VAL   9  14.677   1.023  16.498
   59   HG11  VAL 819          HG11      VAL   9  14.093  -1.945  16.943
   60   HG12  VAL 819          HG12      VAL   9  12.883  -0.700  16.544
   61   HG13  VAL 819          HG13      VAL   9  13.743  -0.631  18.088
   62   HG21  VAL 819          HG21      VAL   9  15.995  -0.019  18.295
   63   HG22  VAL 819          HG22      VAL   9  17.025   0.345  16.919
   64   HG23  VAL 819          HG23      VAL   9  16.493  -1.327  17.202
   65    H    GLY 820           H        GLY  10  14.867  -1.848  12.936
   66    HA2  GLY 820           HA2      GLY  10  12.527  -2.283  11.984
   67    HA3  GLY 820           HA3      GLY  10  12.398  -0.537  11.882
   68    H    PHE 821           H        PHE  11  15.643  -1.344  11.099
   69    HA   PHE 821           HA       PHE  11  14.955  -1.785   8.218
   70    HB2  PHE 821           HB2      PHE  11  16.863   0.342   9.199
   71    HB3  PHE 821           HB3      PHE  11  16.503  -0.042   7.530
   72    HD1  PHE 821           HD1      PHE  11  15.222   1.581  10.613
   73    HD2  PHE 821           HD2      PHE  11  14.371   0.631   6.492
   74    HE1  PHE 821           HE1      PHE  11  13.433   3.292  10.593
   75    HE2  PHE 821           HE2      PHE  11  12.538   2.327   6.499
   76    HZ   PHE 821           HZ       PHE  11  12.076   3.650   8.540
   77    H    LYS 822           H        LYS  12  15.807  -3.654   7.792
   78    HA   LYS 822           HA       LYS  12  18.021  -4.767   9.259
   79    HB2  LYS 822           HB2      LYS  12  15.995  -6.044   8.717
   80    HB3  LYS 822           HB3      LYS  12  16.261  -5.786   7.024
   81    HG2  LYS 822           HG2      LYS  12  18.462  -7.124   7.295
   82    HG3  LYS 822           HG3      LYS  12  17.917  -7.625   8.840
   83    HD2  LYS 822           HD2      LYS  12  16.276  -7.930   6.346
   84    HD3  LYS 822           HD3      LYS  12  17.467  -9.145   6.819
   85    HE2  LYS 822           HE2      LYS  12  16.320  -9.412   8.964
   86    HE3  LYS 822           HE3      LYS  12  15.046  -8.279   8.481
   87    HZ1  LYS 822           HZ1      LYS  12  14.354 -10.592   8.090
   88    HZ2  LYS 822           HZ2      LYS  12  15.630 -10.891   7.126
   89    HZ3  LYS 822           HZ3      LYS  12  14.473  -9.836   6.652
   90    H    CYS 823           H        CYS  13  20.067  -5.457   8.459
   91    HA   CYS 823           HA       CYS  13  21.132  -4.350   5.952
   92    HB2  CYS 823           HB2      CYS  13  22.668  -4.607   7.845
   93    HB3  CYS 823           HB3      CYS  13  22.265  -6.322   7.963
   94    H    ASP 824           H        ASP  14  20.444  -5.305   4.013
   95    HA   ASP 824           HA       ASP  14  19.302  -7.929   3.893
   96    HB2  ASP 824           HB2      ASP  14  20.480  -6.235   1.667
   97    HB3  ASP 824           HB3      ASP  14  19.529  -7.692   1.420
   98    H    ASN 825           H        ASN  15  22.635  -7.147   4.095
   99    HA   ASN 825           HA       ASN  15  23.565  -9.432   2.465
  100    HB2  ASN 825           HB2      ASN  15  24.811  -7.247   2.524
  101    HB3  ASN 825           HB3      ASN  15  25.120  -7.529   4.224
  102   HD21  ASN 825          HD21      ASN  15  27.212  -8.055   4.459
  103   HD22  ASN 825          HD22      ASN  15  28.030  -9.286   3.488
  104    H    CYS 826           H        CYS  16  23.902  -8.493   5.951
  105    HA   CYS 826           HA       CYS  16  24.466 -11.324   6.632
  106    HB2  CYS 826           HB2      CYS  16  25.489 -10.449   8.616
  107    HB3  CYS 826           HB3      CYS  16  26.157  -9.649   7.198
  108    H    GLY 827           H        GLY  17  21.868  -9.105   6.741
  109    HA2  GLY 827           HA2      GLY  17  19.735  -9.411   7.391
  110    HA3  GLY 827           HA3      GLY  17  20.102 -10.990   7.993
  111    H    ILE 828           H        ILE  18  21.969  -8.297   9.418
  112    HA   ILE 828           HA       ILE  18  20.642  -8.575  11.984
  113    HB   ILE 828           HB       ILE  18  22.848  -7.800  12.080
  114   HG12  ILE 828          HG12      ILE  18  21.344  -5.244  12.655
  115   HG13  ILE 828          HG13      ILE  18  20.875  -6.700  13.495
  116   HG21  ILE 828          HG21      ILE  18  22.181  -5.296  10.457
  117   HG22  ILE 828          HG22      ILE  18  23.105  -6.683   9.876
  118   HG23  ILE 828          HG23      ILE  18  23.747  -5.724  11.187
  119   HD11  ILE 828          HD11      ILE  18  23.662  -5.478  13.546
  120   HD12  ILE 828          HD12      ILE  18  23.175  -6.987  14.358
  121   HD13  ILE 828          HD13      ILE  18  22.456  -5.440  14.846
  122    H    GLU 829           H        GLU  19  18.630  -8.220  12.166
  123    HA   GLU 829           HA       GLU  19  17.091  -6.745  10.417
  124    HB2  GLU 829           HB2      GLU  19  15.547  -7.149  12.775
  125    HB3  GLU 829           HB3      GLU  19  15.348  -7.740  11.156
  126    HG2  GLU 829           HG2      GLU  19  15.453  -9.639  12.556
  127    HG3  GLU 829           HG3      GLU  19  16.930  -9.599  11.610
  128    HA   PRO 830           HA       PRO  20  17.491  -2.860  11.703
  129    HB2  PRO 830           HB2      PRO  20  17.529  -1.875  14.070
  130    HB3  PRO 830           HB3      PRO  20  16.145  -2.944  13.590
  131    HG2  PRO 830           HG2      PRO  20  18.549  -3.589  15.238
  132    HG3  PRO 830           HG3      PRO  20  16.855  -4.039  15.533
  133    HD2  PRO 830           HD2      PRO  20  18.865  -5.592  14.216
  134    HD3  PRO 830           HD3      PRO  20  17.107  -5.900  14.128
  135    H    ILE 831           H        ILE  21  19.178  -1.778  10.895
  136    HA   ILE 831           HA       ILE  21  21.812  -2.655  11.471
  137    HB   ILE 831           HB       ILE  21  20.746  -0.296   9.915
  138   HG12  ILE 831          HG12      ILE  21  22.232  -2.634   8.735
  139   HG13  ILE 831          HG13      ILE  21  20.617  -2.996   9.344
  140   HG21  ILE 831          HG21      ILE  21  23.618  -1.241  10.329
  141   HG22  ILE 831          HG22      ILE  21  22.962   0.395  10.532
  142   HG23  ILE 831          HG23      ILE  21  23.105  -0.306   8.916
  143   HD11  ILE 831          HD11      ILE  21  21.224  -0.712   7.415
  144   HD12  ILE 831          HD12      ILE  21  19.631  -1.307   7.875
  145   HD13  ILE 831          HD13      ILE  21  20.713  -2.329   6.909
  146    H    GLN 832           H        GLN  22  22.695  -2.444  13.401
  147    HA   GLN 832           HA       GLN  22  22.731   0.090  14.780
  148    HB2  GLN 832           HB2      GLN  22  24.147  -2.455  15.567
  149    HB3  GLN 832           HB3      GLN  22  23.897  -1.000  16.538
  150    HG2  GLN 832           HG2      GLN  22  21.273  -1.558  15.799
  151    HG3  GLN 832           HG3      GLN  22  21.944  -3.167  15.792
  152   HE21  GLN 832          HE21      GLN  22  19.857  -2.088  17.579
  153   HE22  GLN 832          HE22      GLN  22  20.530  -2.171  19.192
  154    H    GLY 833           H        GLY  23  24.484   1.234  15.413
  155    HA2  GLY 833           HA2      GLY  23  26.331   2.514  15.178
  156    HA3  GLY 833           HA3      GLY  23  27.078   1.488  13.988
  157    H    VAL 834           H        VAL  24  27.223   2.687  12.054
  158    HA   VAL 834           HA       VAL  24  25.081   4.621  11.427
  159    HB   VAL 834           HB       VAL  24  26.217   5.179   9.436
  160   HG11  VAL 834          HG11      VAL  24  28.269   6.094  10.305
  161   HG12  VAL 834          HG12      VAL  24  28.263   4.952  11.665
  162   HG13  VAL 834          HG13      VAL  24  26.988   6.186  11.529
  163   HG21  VAL 834          HG21      VAL  24  28.335   4.339   8.664
  164   HG22  VAL 834          HG22      VAL  24  27.130   3.065   8.612
  165   HG23  VAL 834          HG23      VAL  24  28.340   3.115   9.945
  166    H    ARG 835           H        ARG  25  23.514   4.437   9.905
  167    HA   ARG 835           HA       ARG  25  23.058   1.754   8.690
  168    HB2  ARG 835           HB2      ARG  25  21.110   2.636   9.663
  169    HB3  ARG 835           HB3      ARG  25  21.330   4.218   8.921
  170    HG2  ARG 835           HG2      ARG  25  20.830   3.282   6.682
  171    HG3  ARG 835           HG3      ARG  25  20.681   1.652   7.385
  172    HD2  ARG 835           HD2      ARG  25  18.802   2.360   8.745
  173    HD3  ARG 835           HD3      ARG  25  19.039   4.053   8.246
  174    HE   ARG 835           HE       ARG  25  18.491   2.238   6.003
  175   HH11  ARG 835          HH11      ARG  25  16.855   4.033   8.554
  176   HH12  ARG 835          HH12      ARG  25  15.386   4.110   7.626
  177   HH21  ARG 835          HH21      ARG  25  16.748   2.347   4.955
  178   HH22  ARG 835          HH22      ARG  25  15.339   3.274   5.500
  179    H    TRP 836           H        TRP  26  23.385   1.243   6.607
  180    HA   TRP 836           HA       TRP  26  24.251   3.379   4.692
  181    HB2  TRP 836           HB2      TRP  26  24.917   0.485   5.080
  182    HB3  TRP 836           HB3      TRP  26  24.921   1.068   3.510
  183    HD1  TRP 836           HD1      TRP  26  26.901   0.769   6.537
  184    HE1  TRP 836           HE1      TRP  26  29.260   1.762   6.219
  185    HE3  TRP 836           HE3      TRP  26  25.992   3.614   2.400
  186    HZ2  TRP 836           HZ2      TRP  26  30.538   3.638   4.437
  187    HZ3  TRP 836           HZ3      TRP  26  27.815   4.959   1.365
  188    HH2  TRP 836           HH2      TRP  26  30.081   4.993   2.384
  189    H    HIS 837           H        HIS  27  22.300   4.142   3.949
  190    HA   HIS 837           HA       HIS  27  20.036   2.349   3.298
  191    HB2  HIS 837           HB2      HIS  27  19.487   4.464   4.263
  192    HB3  HIS 837           HB3      HIS  27  20.531   5.333   3.129
  193    HD2  HIS 837           HD2      HIS  27  19.219   6.587   1.340
  194    HE1  HIS 837           HE1      HIS  27  15.816   4.041   0.960
  195    HE2  HIS 837           HE2      HIS  27  16.892   6.201   0.154
  196    H    CYS 838           H        CYS  28  19.512   1.538   1.234
  197    HA   CYS 838           HA       CYS  28  21.316   2.126  -0.993
  198    HB2  CYS 838           HB2      CYS  28  19.061   0.255  -0.364
  199    HB3  CYS 838           HB3      CYS  28  19.417   0.550  -1.997
  200    H    GLN 839           H        GLN  29  21.100   3.960  -1.973
  201    HA   GLN 839           HA       GLN  29  18.914   5.769  -1.748
  202    HB2  GLN 839           HB2      GLN  29  21.385   5.669  -3.515
  203    HB3  GLN 839           HB3      GLN  29  20.355   7.037  -3.516
  204    HG2  GLN 839           HG2      GLN  29  20.744   6.907  -0.832
  205    HG3  GLN 839           HG3      GLN  29  22.199   6.057  -1.355
  206   HE21  GLN 839          HE21      GLN  29  20.582   9.186  -1.125
  207   HE22  GLN 839          HE22      GLN  29  21.930  10.101  -1.781
  208    H    ASP 840           H        ASP  30  19.494   3.311  -4.305
  209    HA   ASP 840           HA       ASP  30  17.530   4.733  -6.021
  210    HB2  ASP 840           HB2      ASP  30  20.217   4.029  -6.520
  211    HB3  ASP 840           HB3      ASP  30  19.291   2.873  -7.444
  212    H    CYS 841           H        CYS  31  18.325   1.646  -4.459
  213    HA   CYS 841           HA       CYS  31  16.536   0.046  -5.870
  214    HB2  CYS 841           HB2      CYS  31  16.735  -0.237  -2.935
  215    HB3  CYS 841           HB3      CYS  31  16.568  -1.435  -4.039
  216    HA   PRO 842           HA       PRO  32  12.617   1.949  -4.874
  217    HB2  PRO 842           HB2      PRO  32  10.922   0.057  -5.892
  218    HB3  PRO 842           HB3      PRO  32  12.164   0.835  -6.913
  219    HG2  PRO 842           HG2      PRO  32  12.370  -1.811  -5.418
  220    HG3  PRO 842           HG3      PRO  32  12.652  -1.510  -7.154
  221    HD2  PRO 842           HD2      PRO  32  14.722  -1.515  -5.436
  222    HD3  PRO 842           HD3      PRO  32  14.631  -0.353  -6.795
  223    HA   PRO 843           HA       PRO  33  10.748   0.680  -1.018
  224    HB2  PRO 843           HB2      PRO  33   8.064   0.112  -2.192
  225    HB3  PRO 843           HB3      PRO  33   8.514   1.255  -0.894
  226    HG2  PRO 843           HG2      PRO  33   7.866   1.963  -3.461
  227    HG3  PRO 843           HG3      PRO  33   8.983   2.942  -2.434
  228    HD2  PRO 843           HD2      PRO  33   9.575   1.127  -4.725
  229    HD3  PRO 843           HD3      PRO  33  10.481   2.551  -4.147
  230    H    GLU 844           H        GLU  34  10.298  -1.538  -3.739
  231    HA   GLU 844           HA       GLU  34   8.940  -3.632  -2.271
  232    HB2  GLU 844           HB2      GLU  34  10.336  -3.383  -4.979
  233    HB3  GLU 844           HB3      GLU  34   9.636  -4.893  -4.475
  234    HG2  GLU 844           HG2      GLU  34   8.176  -2.229  -4.813
  235    HG3  GLU 844           HG3      GLU  34   8.177  -3.572  -5.946
  236    H    MET 845           H        MET  35  12.148  -2.751  -3.181
  237    HA   MET 845           HA       MET  35  13.571  -5.101  -2.110
  238    HB2  MET 845           HB2      MET  35  13.219  -4.957  -4.567
  239    HB3  MET 845           HB3      MET  35  13.796  -3.326  -4.571
  240    HG2  MET 845           HG2      MET  35  15.457  -4.892  -5.373
  241    HG3  MET 845           HG3      MET  35  16.038  -4.127  -3.951
  242    HE1  MET 845           HE1      MET  35  13.544  -7.279  -4.332
  243    HE2  MET 845           HE2      MET  35  14.753  -8.582  -4.286
  244    HE3  MET 845           HE3      MET  35  14.767  -7.409  -5.621
  245    H    SER 846           H        SER  36  12.851  -2.927  -0.602
  246    HA   SER 846           HA       SER  36  14.671  -0.703  -0.942
  247    HB2  SER 846           HB2      SER  36  13.582   0.162   1.145
  248    HB3  SER 846           HB3      SER  36  12.549  -0.231  -0.244
  249    HG   SER 846           HG       SER  36  11.659  -1.891   0.867
  250    H    LEU 847           H        LEU  37  16.503  -2.025  -0.993
  251    HA   LEU 847           HA       LEU  37  17.480  -3.435   1.124
  252    HB2  LEU 847           HB2      LEU  37  18.790  -2.172  -1.239
  253    HB3  LEU 847           HB3      LEU  37  19.784  -2.669   0.125
  254    HG   LEU 847           HG       LEU  37  18.391  -4.916  -0.134
  255   HD11  LEU 847          HD11      LEU  37  17.163  -4.415  -2.013
  256   HD12  LEU 847          HD12      LEU  37  18.427  -5.556  -2.501
  257   HD13  LEU 847          HD13      LEU  37  18.607  -3.825  -2.892
  258   HD21  LEU 847          HD21      LEU  37  20.370  -5.842  -1.203
  259   HD22  LEU 847          HD22      LEU  37  20.826  -4.660   0.035
  260   HD23  LEU 847          HD23      LEU  37  20.881  -4.201  -1.670
  261    H    ASP 848           H        ASP  38  19.101  -3.057   2.568
  262    HA   ASP 848           HA       ASP  38  20.267  -0.455   3.054
  263    HB2  ASP 848           HB2      ASP  38  18.912  -1.825   5.393
  264    HB3  ASP 848           HB3      ASP  38  19.891  -0.361   5.421
  265    H    PHE 849           H        PHE  39  22.201  -0.707   4.329
  266    HA   PHE 849           HA       PHE  39  23.084  -3.461   4.908
  267    HB2  PHE 849           HB2      PHE  39  24.687  -1.371   3.455
  268    HB3  PHE 849           HB3      PHE  39  25.334  -2.869   4.106
  269    HD1  PHE 849           HD1      PHE  39  23.240  -4.871   3.236
  270    HD2  PHE 849           HD2      PHE  39  25.030  -1.566   1.133
  271    HE1  PHE 849           HE1      PHE  39  22.835  -6.018   1.076
  272    HE2  PHE 849           HE2      PHE  39  24.728  -2.775  -1.010
  273    HZ   PHE 849           HZ       PHE  39  23.594  -4.969  -1.050
  274    H    CYS 850           H        CYS  40  24.761  -3.616   6.475
  275    HA   CYS 850           HA       CYS  40  24.882  -1.292   8.288
  276    HB2  CYS 850           HB2      CYS  40  25.706  -2.891   9.983
  277    HB3  CYS 850           HB3      CYS  40  24.162  -3.398   9.321
  278    H    ASP 851           H        ASP  41  27.081  -0.836   9.315
  279    HA   ASP 851           HA       ASP  41  28.813  -0.193   7.127
  280    HB2  ASP 851           HB2      ASP  41  28.443   1.176   9.074
  281    HB3  ASP 851           HB3      ASP  41  29.351   0.122  10.118
  282    H    SER 852           H        SER  42  28.657  -3.030   8.974
  283    HA   SER 852           HA       SER  42  31.310  -4.119   8.373
  284    HB2  SER 852           HB2      SER  42  28.602  -5.385   8.920
  285    HB3  SER 852           HB3      SER  42  30.072  -6.294   8.877
  286    HG   SER 852           HG       SER  42  30.820  -5.111  10.724
  287    H    CYS 853           H        CYS  43  28.317  -3.672   6.600
  288    HA   CYS 853           HA       CYS  43  28.995  -5.839   4.710
  289    HB2  CYS 853           HB2      CYS  43  26.398  -4.791   5.830
  290    HB3  CYS 853           HB3      CYS  43  26.448  -5.741   4.334
  291    H    SER 854           H        SER  44  28.219  -2.291   4.614
  292    HA   SER 854           HA       SER  44  27.032  -2.462   2.033
  293    HB2  SER 854           HB2      SER  44  26.836  -0.580   3.700
  294    HB3  SER 854           HB3      SER  44  28.375   0.022   3.064
  295    HG   SER 854           HG       SER  44  27.463   0.415   1.115
  296    H    ASP 855           H        ASP  45  30.437  -2.324   2.780
  297    HA   ASP 855           HA       ASP  45  31.372  -1.530   0.186
  298    HB2  ASP 855           HB2      ASP  45  32.623  -1.530   2.387
  299    HB3  ASP 855           HB3      ASP  45  32.744  -3.286   2.261
  300    H    CYS 856           H        CYS  46  29.755  -4.394   1.072
  301    HA   CYS 856           HA       CYS  46  31.187  -6.355  -0.444
  302    HB2  CYS 856           HB2      CYS  46  29.574  -6.759   1.423
  303    HB3  CYS 856           HB3      CYS  46  28.239  -6.296   0.363
  304    HG   CYS 856           HG       CYS  46  28.176  -8.230  -1.140
  305    H    LEU 857           H        LEU  47  28.534  -4.203  -1.353
  306    HA   LEU 857           HA       LEU  47  27.566  -3.675  -3.382
  307    HB2  LEU 857           HB2      LEU  47  30.065  -2.822  -3.175
  308    HB3  LEU 857           HB3      LEU  47  30.332  -3.941  -4.508
  309    HG   LEU 857           HG       LEU  47  28.254  -2.774  -5.613
  310   HD11  LEU 857          HD11      LEU  47  29.062  -0.626  -3.607
  311   HD12  LEU 857          HD12      LEU  47  27.517  -1.492  -3.637
  312   HD13  LEU 857          HD13      LEU  47  27.948  -0.415  -4.974
  313   HD21  LEU 857          HD21      LEU  47  29.697  -0.987  -6.557
  314   HD22  LEU 857          HD22      LEU  47  30.606  -2.503  -6.421
  315   HD23  LEU 857          HD23      LEU  47  30.858  -1.211  -5.233
  316    H    HIS 858           H        HIS  48  27.046  -6.234  -2.958
  317    HA   HIS 858           HA       HIS  48  27.248  -7.794  -5.472
  318    HB2  HIS 858           HB2      HIS  48  25.533  -9.206  -4.279
  319    HB3  HIS 858           HB3      HIS  48  27.087  -9.107  -3.451
  320    HD2  HIS 858           HD2      HIS  48  23.430  -8.742  -2.750
  321    HE1  HIS 858           HE1      HIS  48  25.443  -6.871   0.513
  322    HE2  HIS 858           HE2      HIS  48  23.210  -7.853  -0.304
  323    H    GLU 859           H        GLU  49  25.903  -7.922  -7.037
  324    HA   GLU 859           HA       GLU  49  23.732  -5.951  -7.128
  325    HB2  GLU 859           HB2      GLU  49  24.908  -7.803  -9.234
  326    HB3  GLU 859           HB3      GLU  49  23.525  -6.747  -9.422
  327    HG2  GLU 859           HG2      GLU  49  25.256  -4.875  -8.609
  328    HG3  GLU 859           HG3      GLU  49  26.426  -6.057  -9.210
  329    H    THR 860           H        THR  50  21.651  -6.491  -7.774
  330    HA   THR 860           HA       THR  50  20.776  -9.321  -7.611
  331    HB   THR 860           HB       THR  50  18.836  -8.843  -6.355
  332    HG1  THR 860           HG1      THR  50  18.239  -6.795  -5.726
  333   HG21  THR 860          HG21      THR  50  20.875  -9.053  -4.937
  334   HG22  THR 860          HG22      THR  50  19.612  -8.054  -4.198
  335   HG23  THR 860          HG23      THR  50  21.033  -7.289  -4.929
  336    H    ASP 861           H        ASP  51  18.093  -8.948  -8.360
  337    HA   ASP 861           HA       ASP  51  18.171  -8.279 -11.140
  338    HB2  ASP 861           HB2      ASP  51  15.827  -8.354  -9.204
  339    HB3  ASP 861           HB3      ASP  51  15.687  -8.296 -10.959
  340    H    ILE 862           H        ILE  52  17.862  -6.198  -8.339
  341    HA   ILE 862           HA       ILE  52  17.368  -3.843 -10.126
  342    HB   ILE 862           HB       ILE  52  16.286  -4.241  -7.315
  343   HG12  ILE 862          HG12      ILE  52  15.020  -4.454 -10.057
  344   HG13  ILE 862          HG13      ILE  52  15.072  -5.664  -8.787
  345   HG21  ILE 862          HG21      ILE  52  16.338  -1.904  -9.259
  346   HG22  ILE 862          HG22      ILE  52  16.778  -1.948  -7.537
  347   HG23  ILE 862          HG23      ILE  52  15.088  -2.042  -8.009
  348   HD11  ILE 862          HD11      ILE  52  13.343  -3.184  -8.832
  349   HD12  ILE 862          HD12      ILE  52  13.581  -4.191  -7.378
  350   HD13  ILE 862          HD13      ILE  52  12.848  -4.879  -8.842
  351    H    HIS 863           H        HIS  53  18.881  -4.838  -6.984
  352    HA   HIS 863           HA       HIS  53  20.232  -2.295  -6.651
  353    HB2  HIS 863           HB2      HIS  53  19.709  -3.714  -4.803
  354    HB3  HIS 863           HB3      HIS  53  20.680  -5.020  -5.421
  355    HD2  HIS 863           HD2      HIS  53  23.469  -4.048  -5.951
  356    HE1  HIS 863           HE1      HIS  53  23.366  -1.624  -2.487
  357    H    LYS 864           H        LYS  54  21.733  -1.578  -8.019
  358    HA   LYS 864           HA       LYS  54  23.526  -3.462  -9.502
  359    HB2  LYS 864           HB2      LYS  54  22.986  -0.519 -10.025
  360    HB3  LYS 864           HB3      LYS  54  23.992  -1.569 -10.997
  361    HG2  LYS 864           HG2      LYS  54  21.004  -1.787 -10.668
  362    HG3  LYS 864           HG3      LYS  54  21.842  -1.085 -12.035
  363    HD2  LYS 864           HD2      LYS  54  21.441  -3.137 -12.947
  364    HD3  LYS 864           HD3      LYS  54  23.020  -3.447 -12.237
  365    HE2  LYS 864           HE2      LYS  54  21.752  -4.346 -10.182
  366    HE3  LYS 864           HE3      LYS  54  20.272  -4.220 -11.130
  367    HZ1  LYS 864           HZ1      LYS  54  21.248  -6.454 -11.238
  368    HZ2  LYS 864           HZ2      LYS  54  22.672  -5.864 -11.823
  369    HZ3  LYS 864           HZ3      LYS  54  21.304  -5.791 -12.742
  370    H    GLU 865           H        GLU  55  25.739  -2.844  -9.781
  371    HA   GLU 865           HA       GLU  55  26.985  -1.629  -7.443
  372    HB2  GLU 865           HB2      GLU  55  28.048  -2.153 -10.228
  373    HB3  GLU 865           HB3      GLU  55  29.022  -1.468  -8.925
  374    HG2  GLU 865           HG2      GLU  55  28.798  -3.533  -7.642
  375    HG3  GLU 865           HG3      GLU  55  27.635  -4.175  -8.796
  376    H    ASP 866           H        ASP  56  25.217  -0.307 -10.029
  377    HA   ASP 866           HA       ASP  56  26.703   2.272 -10.301
  378    HB2  ASP 866           HB2      ASP  56  24.188   1.217 -11.649
  379    HB3  ASP 866           HB3      ASP  56  24.960   2.765 -11.991
  380    H    HIS 867           H        HIS  57  23.840   0.843  -8.882
  381    HA   HIS 867           HA       HIS  57  22.398   3.127  -8.026
  382    HB2  HIS 867           HB2      HIS  57  21.118   1.286  -7.910
  383    HB3  HIS 867           HB3      HIS  57  22.461   0.181  -7.711
  384    HD2  HIS 867           HD2      HIS  57  23.359  -0.185  -5.202
  385    HE1  HIS 867           HE1      HIS  57  20.148   1.873  -3.299
  386    H    GLN 868           H        GLN  58  22.447   4.144  -6.084
  387    HA   GLN 868           HA       GLN  58  25.145   4.393  -4.925
  388    HB2  GLN 868           HB2      GLN  58  22.800   6.286  -4.981
  389    HB3  GLN 868           HB3      GLN  58  24.379   6.630  -4.238
  390    HG2  GLN 868           HG2      GLN  58  23.879   6.004  -7.195
  391    HG3  GLN 868           HG3      GLN  58  24.106   7.597  -6.480
  392   HE21  GLN 868          HE21      GLN  58  25.808   4.775  -7.787
  393   HE22  GLN 868          HE22      GLN  58  27.395   5.366  -7.325
  394    H    LEU 869           H        LEU  59  25.725   4.473  -2.788
  395    HA   LEU 869           HA       LEU  59  23.732   3.499  -0.796
  396    HB2  LEU 869           HB2      LEU  59  26.766   3.325  -0.735
  397    HB3  LEU 869           HB3      LEU  59  25.645   2.646   0.415
  398    HG   LEU 869           HG       LEU  59  26.637   0.975  -0.935
  399   HD11  LEU 869          HD11      LEU  59  24.407   0.552  -0.058
  400   HD12  LEU 869          HD12      LEU  59  24.656  -0.282  -1.591
  401   HD13  LEU 869          HD13      LEU  59  23.668   1.177  -1.574
  402   HD21  LEU 869          HD21      LEU  59  26.341   0.521  -3.204
  403   HD22  LEU 869          HD22      LEU  59  26.963   2.175  -3.080
  404   HD23  LEU 869          HD23      LEU  59  25.240   1.861  -3.440
  405    H    GLU 870           H        GLU  60  23.482   4.618   1.142
  406    HA   GLU 870           HA       GLU  60  24.917   7.236   1.398
  407    HB2  GLU 870           HB2      GLU  60  22.805   7.661   0.498
  408    HB3  GLU 870           HB3      GLU  60  21.995   6.565   1.601
  409    HG2  GLU 870           HG2      GLU  60  21.437   8.737   2.268
  410    HG3  GLU 870           HG3      GLU  60  22.538   8.133   3.482
  411    HA   PRO 871           HA       PRO  61  25.554   5.566   5.608
  412    HB2  PRO 871           HB2      PRO  61  27.418   7.319   6.446
  413    HB3  PRO 871           HB3      PRO  61  27.797   5.971   5.337
  414    HG2  PRO 871           HG2      PRO  61  27.332   8.889   4.666
  415    HG3  PRO 871           HG3      PRO  61  28.585   7.784   4.021
  416    HD2  PRO 871           HD2      PRO  61  26.202   8.372   2.741
  417    HD3  PRO 871           HD3      PRO  61  27.088   6.848   2.492
  418    H    ILE 872           H        ILE  62  24.433   6.058   7.352
  419    HA   ILE 872           HA       ILE  62  23.394   8.822   7.860
  420    HB   ILE 872           HB       ILE  62  21.979   6.143   8.016
  421   HG12  ILE 872          HG12      ILE  62  21.390   8.594   6.298
  422   HG13  ILE 872          HG13      ILE  62  22.162   7.116   5.730
  423   HG21  ILE 872          HG21      ILE  62  20.979   8.903   8.856
  424   HG22  ILE 872          HG22      ILE  62  21.344   7.532   9.931
  425   HG23  ILE 872          HG23      ILE  62  20.002   7.416   8.814
  426   HD11  ILE 872          HD11      ILE  62  19.874   7.026   5.059
  427   HD12  ILE 872          HD12      ILE  62  19.296   7.357   6.696
  428   HD13  ILE 872          HD13      ILE  62  20.111   5.816   6.335
  429    H    TYR 873           H        TYR  63  24.319   9.568   9.624
  430    HA   TYR 873           HA       TYR  63  25.552   7.769  11.592
  431    HB2  TYR 873           HB2      TYR  63  25.588  10.794  11.294
  432    HB3  TYR 873           HB3      TYR  63  26.488   9.849  12.476
  433    HD1  TYR 873           HD1      TYR  63  28.147  11.558  11.238
  434    HD2  TYR 873           HD2      TYR  63  26.631   7.881   9.594
  435    HE1  TYR 873           HE1      TYR  63  30.167  11.385   9.787
  436    HE2  TYR 873           HE2      TYR  63  28.702   7.665   8.192
  437    HH   TYR 873           HH       TYR  63  31.286  10.141   8.205
  438    H    ARG 874           H        ARG  64  22.600   8.833  11.499
  439    HA   ARG 874           HA       ARG  64  22.182   9.181  14.444
  440    HB2  ARG 874           HB2      ARG  64  20.956  10.897  12.237
  441    HB3  ARG 874           HB3      ARG  64  20.554  11.007  13.942
  442    HG2  ARG 874           HG2      ARG  64  23.243  11.695  12.680
  443    HG3  ARG 874           HG3      ARG  64  22.040  12.828  13.291
  444    HD2  ARG 874           HD2      ARG  64  23.507  10.773  14.986
  445    HD3  ARG 874           HD3      ARG  64  23.984  12.459  14.844
  446    HE   ARG 874           HE       ARG  64  21.689  11.345  16.326
  447   HH11  ARG 874          HH11      ARG  64  23.134  14.337  15.193
  448   HH12  ARG 874          HH12      ARG  64  22.224  15.300  16.325
  449   HH21  ARG 874          HH21      ARG  64  20.564  12.637  17.718
  450   HH22  ARG 874          HH22      ARG  64  20.812  14.360  17.716
  451    H1   ALA   1           H1       ALA  65  16.649  -2.300   3.924
  452    H2   ALA   1           H2       ALA  65  17.305  -3.717   3.369
  453    H3   ALA   1           H3       ALA  65  17.143  -3.462   4.981
  454    HA   ALA   1           HA       ALA  65  14.962  -3.727   3.044
  455    HB1  ALA   1           HB1      ALA  65  15.556  -5.887   3.235
  456    HB2  ALA   1           HB2      ALA  65  14.520  -5.816   4.667
  457    HB3  ALA   1           HB3      ALA  65  16.282  -5.724   4.852
  458    H    ARG   2           H        ARG  66  13.112  -2.685   3.615
  459    HA   ARG   2           HA       ARG  66  12.843  -1.308   6.153
  460    HB2  ARG   2           HB2      ARG  66  10.978  -1.828   3.804
  461    HB3  ARG   2           HB3      ARG  66  10.460  -0.945   5.249
  462    HG2  ARG   2           HG2      ARG  66  12.093   0.774   4.930
  463    HG3  ARG   2           HG3      ARG  66  12.857  -0.083   3.596
  464    HD2  ARG   2           HD2      ARG  66  11.404   1.811   2.870
  465    HD3  ARG   2           HD3      ARG  66  10.939   0.284   2.157
  466    HE   ARG   2           HE       ARG  66   9.471   1.800   4.254
  467   HH11  ARG   2          HH11      ARG  66   7.306   1.285   4.604
  468   HH12  ARG   2          HH12      ARG  66   6.627  -0.111   3.780
  469   HH21  ARG   2          HH21      ARG  66   9.378  -0.972   2.040
  470   HH22  ARG   2          HH22      ARG  66   7.719  -1.312   2.488
  471    H    THR   3           H        THR  67  13.233  -3.131   7.596
  472    HA   THR   3           HA       THR  67  11.423  -5.226   8.102
  473    HB   THR   3           HB       THR  67  12.641  -4.074  10.523
  474    HG1  THR   3           HG1      THR  67  14.752  -4.371   9.851
  475   HG21  THR   3          HG21      THR  67  13.312  -6.603   8.982
  476   HG22  THR   3          HG22      THR  67  12.036  -6.503  10.232
  477   HG23  THR   3          HG23      THR  67  13.738  -6.216  10.663
  478    H    LYS   4           H        LYS  68  11.047  -1.819   8.843
  479    HA   LYS   4           HA       LYS  68   9.012  -1.745  10.771
  480    HB2  LYS   4           HB2      LYS  68   9.302  -0.141   8.181
  481    HB3  LYS   4           HB3      LYS  68   8.137   0.259   9.428
  482    HG2  LYS   4           HG2      LYS  68  11.152   0.319   9.786
  483    HG3  LYS   4           HG3      LYS  68  10.092   1.694   9.507
  484    HD2  LYS   4           HD2      LYS  68   8.863   1.094  11.653
  485    HD3  LYS   4           HD3      LYS  68  10.136  -0.099  11.977
  486    HE2  LYS   4           HE2      LYS  68  11.838   1.797  11.727
  487    HE3  LYS   4           HE3      LYS  68  10.474   2.917  11.596
  488    HZ1  LYS   4           HZ1      LYS  68  11.203   1.269  13.968
  489    HZ2  LYS   4           HZ2      LYS  68   9.769   2.084  13.854
  490    HZ3  LYS   4           HZ3      LYS  68  11.187   2.895  13.864
  491    H    GLN   5           H        GLN  69   8.620  -2.815   7.409
  492    HA   GLN   5           HA       GLN  69   5.702  -2.714   7.535
  493    HB2  GLN   5           HB2      GLN  69   6.983  -2.129   5.544
  494    HB3  GLN   5           HB3      GLN  69   7.531  -3.801   5.361
  495    HG2  GLN   5           HG2      GLN  69   5.302  -4.577   4.877
  496    HG3  GLN   5           HG3      GLN  69   4.565  -3.094   5.484
  497   HE21  GLN   5          HE21      GLN  69   3.925  -4.188   2.921
  498   HE22  GLN   5          HE22      GLN  69   4.484  -3.012   1.741
  499    H    THR   6           H        THR  70   5.717  -4.058   9.534
  500    HA   THR   6           HA       THR  70   6.073  -6.941   9.348
  501    HB   THR   6           HB       THR  70   5.077  -6.926  11.629
  502    HG1  THR   6           HG1      THR  70   3.745  -5.123  11.503
  503   HG21  THR   6          HG21      THR  70   7.276  -4.844  11.262
  504   HG22  THR   6          HG22      THR  70   7.522  -6.601  11.292
  505   HG23  THR   6          HG23      THR  70   6.911  -5.772  12.732
  506    H    ALA   7           H        ALA  71   4.656  -6.824   7.274
  507    HA   ALA   7           HA       ALA  71   1.836  -6.588   7.430
  508    HB1  ALA   7           HB1      ALA  71   3.560  -8.187   5.489
  509    HB2  ALA   7           HB2      ALA  71   3.144  -6.463   5.345
  510    HB3  ALA   7           HB3      ALA  71   1.872  -7.696   5.227
  511    H    ARG   8           H        ARG  72   0.160  -8.057   7.520
  512    HA   ARG   8           HA       ARG  72   0.547 -10.890   8.228
  513    HB2  ARG   8           HB2      ARG  72  -0.543 -10.718  10.399
  514    HB3  ARG   8           HB3      ARG  72   0.923  -9.758  10.399
  515    HG2  ARG   8           HG2      ARG  72  -0.282  -7.688  10.276
  516    HG3  ARG   8           HG3      ARG  72  -1.807  -8.477   9.884
  517    HD2  ARG   8           HD2      ARG  72  -0.326  -8.785  12.511
  518    HD3  ARG   8           HD3      ARG  72  -1.683  -7.688  12.229
  519    HE   ARG   8           HE       ARG  72  -3.016  -9.787  11.573
  520   HH11  ARG   8          HH11      ARG  72  -3.996 -11.396  12.761
  521   HH12  ARG   8          HH12      ARG  72  -3.133 -12.145  14.076
  522   HH21  ARG   8          HH21      ARG  72  -0.458 -10.006  13.987
  523   HH22  ARG   8          HH22      ARG  72  -1.220 -11.348  14.792
  524    H    LYS   9           H        LYS  73  -1.600 -11.924   8.786
  525    HA   LYS   9           HA       LYS  73  -3.692 -11.293   6.846
  526    HB2  LYS   9           HB2      LYS  73  -3.659 -13.178   9.249
  527    HB3  LYS   9           HB3      LYS  73  -4.972 -13.065   8.074
  528    HG2  LYS   9           HG2      LYS  73  -3.415 -13.696   6.247
  529    HG3  LYS   9           HG3      LYS  73  -2.104 -13.876   7.428
  530    HD2  LYS   9           HD2      LYS  73  -3.434 -15.598   8.633
  531    HD3  LYS   9           HD3      LYS  73  -4.706 -15.483   7.414
  532    HE2  LYS   9           HE2      LYS  73  -1.805 -16.277   6.857
  533    HE3  LYS   9           HE3      LYS  73  -3.113 -17.420   7.138
  534    HZ1  LYS   9           HZ1      LYS  73  -4.248 -16.525   5.162
  535    HZ2  LYS   9           HZ2      LYS  73  -2.781 -17.110   4.772
  536    HZ3  LYS   9           HZ3      LYS  73  -3.005 -15.501   4.861
  537    H    SER  10           H        SER  74  -5.732 -10.472   7.196
  538    HA   SER  10           HA       SER  74  -5.978  -8.328   9.074
  539    HB2  SER  10           HB2      SER  74  -8.150  -9.645   7.401
  540    HB3  SER  10           HB3      SER  74  -8.195  -8.015   8.097
  541    HG   SER  10           HG       SER  74  -6.555  -7.380   6.698
  542    H    THR  11           H        THR  75  -6.887 -11.684   9.375
  543    HA   THR  11           HA       THR  75  -8.872 -11.381  11.477
  544    HB   THR  11           HB       THR  75  -8.472 -13.820  11.818
  545    HG1  THR  11           HG1      THR  75  -7.082 -14.888  10.430
  546   HG21  THR  11          HG21      THR  75  -9.381 -14.573   9.679
  547   HG22  THR  11          HG22      THR  75  -8.874 -13.066   8.887
  548   HG23  THR  11          HG23      THR  75 -10.129 -13.035  10.143
  549    H    GLY  12           H        GLY  76  -8.612 -12.035  13.686
  550    HA2  GLY  12           HA2      GLY  76  -6.208 -12.587  15.059
  551    HA3  GLY  12           HA3      GLY  76  -6.403 -10.835  15.064
  Start of MODEL    3
    1    H1   GLY 811           H1       GLY   1  21.861  11.002  19.384
    2    H2   GLY 811           H2       GLY   1  20.599  10.018  19.715
    3    H3   GLY 811           H3       GLY   1  20.998  10.336  18.161
    4    HA2  GLY 811           HA2      GLY   1  22.661   8.807  20.084
    5    HA3  GLY 811           HA3      GLY   1  21.711   8.108  18.774
    6    HA   PRO 812           HA       PRO   2  25.696  10.321  17.042
    7    HB2  PRO 812           HB2      PRO   2  27.602   9.044  18.991
    8    HB3  PRO 812           HB3      PRO   2  27.657  10.688  18.279
    9    HG2  PRO 812           HG2      PRO   2  26.894  10.359  20.832
   10    HG3  PRO 812           HG3      PRO   2  25.964  11.468  19.764
   11    HD2  PRO 812           HD2      PRO   2  25.325   8.575  20.444
   12    HD3  PRO 812           HD3      PRO   2  24.275  10.020  20.560
   13    H    LEU 813           H        LEU   3  27.649   9.457  15.943
   14    HA   LEU 813           HA       LEU   3  27.191   7.004  14.628
   15    HB2  LEU 813           HB2      LEU   3  28.447   8.813  13.679
   16    HB3  LEU 813           HB3      LEU   3  29.679   8.743  14.931
   17    HG   LEU 813           HG       LEU   3  29.257   6.275  13.253
   18   HD11  LEU 813          HD11      LEU   3  29.260   8.110  11.597
   19   HD12  LEU 813          HD12      LEU   3  30.740   7.144  11.490
   20   HD13  LEU 813          HD13      LEU   3  30.774   8.734  12.285
   21   HD21  LEU 813          HD21      LEU   3  31.770   7.619  14.302
   22   HD22  LEU 813          HD22      LEU   3  31.669   6.068  13.433
   23   HD23  LEU 813          HD23      LEU   3  30.951   6.221  15.033
   24    H    GLY 814           H        GLY   4  27.869   4.911  14.948
   25    HA2  GLY 814           HA2      GLY   4  28.759   3.060  16.053
   26    HA3  GLY 814           HA3      GLY   4  29.630   4.114  17.177
   27    H    SER 815           H        SER   5  26.494   5.264  17.237
   28    HA   SER 815           HA       SER   5  25.369   3.169  19.033
   29    HB2  SER 815           HB2      SER   5  24.845   6.101  19.432
   30    HB3  SER 815           HB3      SER   5  24.622   4.788  20.590
   31    HG   SER 815           HG       SER   5  26.442   6.007  21.202
   32    H    VAL 816           H        VAL   6  24.970   4.639  16.128
   33    HA   VAL 816           HA       VAL   6  22.129   5.255  16.259
   34    HB   VAL 816           HB       VAL   6  24.258   4.950  14.157
   35   HG11  VAL 816          HG11      VAL   6  21.355   5.195  13.585
   36   HG12  VAL 816          HG12      VAL   6  22.509   3.906  13.068
   37   HG13  VAL 816          HG13      VAL   6  22.684   5.580  12.440
   38   HG21  VAL 816          HG21      VAL   6  23.844   7.065  15.469
   39   HG22  VAL 816          HG22      VAL   6  22.232   7.109  14.689
   40   HG23  VAL 816          HG23      VAL   6  23.734   7.191  13.713
   41    H    GLN 817           H        GLN   7  20.500   3.884  15.731
   42    HA   GLN 817           HA       GLN   7  21.044   1.048  15.062
   43    HB2  GLN 817           HB2      GLN   7  19.727   0.352  17.114
   44    HB3  GLN 817           HB3      GLN   7  21.409   0.837  17.326
   45    HG2  GLN 817           HG2      GLN   7  20.812   3.033  18.156
   46    HG3  GLN 817           HG3      GLN   7  19.121   2.764  17.884
   47   HE21  GLN 817          HE21      GLN   7  19.788   3.615  20.299
   48   HE22  GLN 817          HE22      GLN   7  19.960   2.346  21.495
   49    H    HIS 818           H        HIS   8  19.915   1.096  13.286
   50    HA   HIS 818           HA       HIS   8  17.368   2.479  13.130
   51    HB2  HIS 818           HB2      HIS   8  19.150   1.014  11.204
   52    HB3  HIS 818           HB3      HIS   8  17.480   1.368  10.763
   53    HD2  HIS 818           HD2      HIS   8  20.421   3.471  12.202
   54    HE1  HIS 818           HE1      HIS   8  17.705   6.096  10.223
   55    HE2  HIS 818           HE2      HIS   8  19.824   5.996  11.579
   56    H    VAL 819           H        VAL   9  16.751   1.014  15.027
   57    HA   VAL 819           HA       VAL   9  15.759  -1.594  14.873
   58    HB   VAL 819           HB       VAL   9  14.667   0.764  16.386
   59   HG11  VAL 819          HG11      VAL   9  14.372  -2.235  16.845
   60   HG12  VAL 819          HG12      VAL   9  13.048  -1.136  16.356
   61   HG13  VAL 819          HG13      VAL   9  13.817  -0.954  17.945
   62   HG21  VAL 819          HG21      VAL   9  16.696  -1.389  17.130
   63   HG22  VAL 819          HG22      VAL   9  16.008  -0.189  18.247
   64   HG23  VAL 819          HG23      VAL   9  17.031   0.343  16.923
   65    H    GLY 820           H        GLY  10  14.663  -2.454  13.258
   66    HA2  GLY 820           HA2      GLY  10  12.631  -2.811  12.066
   67    HA3  GLY 820           HA3      GLY  10  12.284  -1.118  12.056
   68    H    PHE 821           H        PHE  11  15.608  -1.750  11.197
   69    HA   PHE 821           HA       PHE  11  14.927  -2.107   8.321
   70    HB2  PHE 821           HB2      PHE  11  16.863  -0.000   9.267
   71    HB3  PHE 821           HB3      PHE  11  16.476  -0.388   7.613
   72    HD1  PHE 821           HD1      PHE  11  14.378   0.388   6.582
   73    HD2  PHE 821           HD2      PHE  11  15.277   1.275  10.700
   74    HE1  PHE 821           HE1      PHE  11  12.639   2.181   6.590
   75    HE2  PHE 821           HE2      PHE  11  13.598   3.082  10.686
   76    HZ   PHE 821           HZ       PHE  11  12.253   3.526   8.638
   77    H    LYS 822           H        LYS  12  15.784  -3.982   7.920
   78    HA   LYS 822           HA       LYS  12  18.053  -5.111   9.293
   79    HB2  LYS 822           HB2      LYS  12  16.060  -6.417   8.698
   80    HB3  LYS 822           HB3      LYS  12  16.296  -6.049   7.004
   81    HG2  LYS 822           HG2      LYS  12  18.590  -7.285   7.290
   82    HG3  LYS 822           HG3      LYS  12  17.908  -7.973   8.738
   83    HD2  LYS 822           HD2      LYS  12  16.614  -8.090   6.002
   84    HD3  LYS 822           HD3      LYS  12  17.773  -9.295   6.542
   85    HE2  LYS 822           HE2      LYS  12  16.403  -9.880   8.448
   86    HE3  LYS 822           HE3      LYS  12  15.165  -8.689   8.014
   87    HZ1  LYS 822           HZ1      LYS  12  14.561 -10.931   7.242
   88    HZ2  LYS 822           HZ2      LYS  12  15.920 -11.063   6.354
   89    HZ3  LYS 822           HZ3      LYS  12  14.770  -9.967   5.944
   90    H    CYS 823           H        CYS  13  20.132  -5.596   8.439
   91    HA   CYS 823           HA       CYS  13  21.126  -4.372   5.962
   92    HB2  CYS 823           HB2      CYS  13  22.681  -4.662   7.836
   93    HB3  CYS 823           HB3      CYS  13  22.284  -6.378   7.924
   94    H    ASP 824           H        ASP  14  20.428  -5.294   3.993
   95    HA   ASP 824           HA       ASP  14  19.343  -7.941   3.788
   96    HB2  ASP 824           HB2      ASP  14  20.507  -6.080   1.692
   97    HB3  ASP 824           HB3      ASP  14  19.655  -7.572   1.306
   98    H    ASN 825           H        ASN  15  22.660  -7.006   3.915
   99    HA   ASN 825           HA       ASN  15  23.634  -9.187   2.179
  100    HB2  ASN 825           HB2      ASN  15  24.698  -6.942   2.115
  101    HB3  ASN 825           HB3      ASN  15  25.138  -7.138   3.814
  102   HD21  ASN 825          HD21      ASN  15  27.221  -7.661   4.066
  103   HD22  ASN 825          HD22      ASN  15  28.076  -8.826   3.059
  104    H    CYS 826           H        CYS  16  23.972  -8.358   5.713
  105    HA   CYS 826           HA       CYS  16  24.641 -11.213   6.212
  106    HB2  CYS 826           HB2      CYS  16  25.778 -10.515   8.166
  107    HB3  CYS 826           HB3      CYS  16  26.366  -9.578   6.803
  108    H    GLY 827           H        GLY  17  22.010  -9.072   6.551
  109    HA2  GLY 827           HA2      GLY  17  19.919  -9.530   7.230
  110    HA3  GLY 827           HA3      GLY  17  20.386 -11.102   7.773
  111    H    ILE 828           H        ILE  18  22.159  -8.418   9.275
  112    HA   ILE 828           HA       ILE  18  20.810  -8.776  11.840
  113    HB   ILE 828           HB       ILE  18  23.050  -8.011  11.975
  114   HG12  ILE 828          HG12      ILE  18  21.558  -5.435  12.559
  115   HG13  ILE 828          HG13      ILE  18  21.108  -6.893  13.410
  116   HG21  ILE 828          HG21      ILE  18  23.976  -5.950  11.086
  117   HG22  ILE 828          HG22      ILE  18  22.407  -5.481  10.386
  118   HG23  ILE 828          HG23      ILE  18  23.300  -6.868   9.762
  119   HD11  ILE 828          HD11      ILE  18  23.883  -5.655  13.431
  120   HD12  ILE 828          HD12      ILE  18  23.420  -7.168  14.250
  121   HD13  ILE 828          HD13      ILE  18  22.685  -5.629  14.742
  122    H    GLU 829           H        GLU  19  18.855  -8.423  12.112
  123    HA   GLU 829           HA       GLU  19  17.351  -6.867  10.429
  124    HB2  GLU 829           HB2      GLU  19  15.433  -7.546  11.533
  125    HB3  GLU 829           HB3      GLU  19  16.575  -8.858  11.387
  126    HG2  GLU 829           HG2      GLU  19  17.241  -8.399  13.821
  127    HG3  GLU 829           HG3      GLU  19  15.844  -7.311  13.899
  128    HA   PRO 830           HA       PRO  20  17.689  -3.026  11.739
  129    HB2  PRO 830           HB2      PRO  20  17.736  -2.062  14.084
  130    HB3  PRO 830           HB3      PRO  20  16.404  -3.215  13.654
  131    HG2  PRO 830           HG2      PRO  20  18.896  -3.708  15.230
  132    HG3  PRO 830           HG3      PRO  20  17.244  -4.277  15.570
  133    HD2  PRO 830           HD2      PRO  20  19.344  -5.643  14.158
  134    HD3  PRO 830           HD3      PRO  20  17.635  -6.119  14.188
  135    H    ILE 831           H        ILE  21  19.300  -1.893  10.885
  136    HA   ILE 831           HA       ILE  21  22.000  -2.641  11.418
  137    HB   ILE 831           HB       ILE  21  20.798  -0.359   9.844
  138   HG12  ILE 831          HG12      ILE  21  22.340  -2.641   8.632
  139   HG13  ILE 831          HG13      ILE  21  20.773  -3.086   9.324
  140   HG21  ILE 831          HG21      ILE  21  23.117  -0.282   8.797
  141   HG22  ILE 831          HG22      ILE  21  23.710  -1.203  10.189
  142   HG23  ILE 831          HG23      ILE  21  22.987   0.400  10.421
  143   HD11  ILE 831          HD11      ILE  21  21.197  -0.803   7.337
  144   HD12  ILE 831          HD12      ILE  21  19.642  -1.415   7.910
  145   HD13  ILE 831          HD13      ILE  21  20.679  -2.433   6.891
  146    H    GLN 832           H        GLN  22  22.898  -2.337  13.365
  147    HA   GLN 832           HA       GLN  22  22.870   0.305  14.584
  148    HB2  GLN 832           HB2      GLN  22  24.303  -2.154  15.596
  149    HB3  GLN 832           HB3      GLN  22  23.956  -0.653  16.460
  150    HG2  GLN 832           HG2      GLN  22  21.385  -1.356  15.770
  151    HG3  GLN 832           HG3      GLN  22  22.107  -2.941  15.712
  152   HE21  GLN 832          HE21      GLN  22  20.013  -1.996  17.576
  153   HE22  GLN 832          HE22      GLN  22  20.731  -2.115  19.170
  154    H    GLY 833           H        GLY  23  24.689   1.463  15.238
  155    HA2  GLY 833           HA2      GLY  23  27.040   2.084  15.183
  156    HA3  GLY 833           HA3      GLY  23  27.226   1.214  13.672
  157    H    VAL 834           H        VAL  24  26.084   1.898  11.872
  158    HA   VAL 834           HA       VAL  24  24.833   4.527  11.636
  159    HB   VAL 834           HB       VAL  24  26.077   5.076   9.611
  160   HG11  VAL 834          HG11      VAL  24  26.668   6.134  11.717
  161   HG12  VAL 834          HG12      VAL  24  28.050   5.990  10.601
  162   HG13  VAL 834          HG13      VAL  24  27.927   4.885  11.984
  163   HG21  VAL 834          HG21      VAL  24  28.293   4.189   9.082
  164   HG22  VAL 834          HG22      VAL  24  27.018   3.006   8.833
  165   HG23  VAL 834          HG23      VAL  24  28.051   2.920  10.300
  166    H    ARG 835           H        ARG  25  23.346   4.479   9.867
  167    HA   ARG 835           HA       ARG  25  22.970   1.795   8.608
  168    HB2  ARG 835           HB2      ARG  25  20.991   2.604   9.528
  169    HB3  ARG 835           HB3      ARG  25  21.169   4.203   8.827
  170    HG2  ARG 835           HG2      ARG  25  20.744   3.284   6.555
  171    HG3  ARG 835           HG3      ARG  25  20.638   1.638   7.239
  172    HD2  ARG 835           HD2      ARG  25  18.734   2.277   8.600
  173    HD3  ARG 835           HD3      ARG  25  18.919   3.985   8.115
  174    HE   ARG 835           HE       ARG  25  18.428   2.200   5.847
  175   HH11  ARG 835          HH11      ARG  25  16.672   2.203   4.836
  176   HH12  ARG 835          HH12      ARG  25  15.210   3.022   5.409
  177   HH21  ARG 835          HH21      ARG  25  16.717   3.801   8.473
  178   HH22  ARG 835          HH22      ARG  25  15.229   3.792   7.575
  179    H    TRP 836           H        TRP  26  23.386   1.292   6.561
  180    HA   TRP 836           HA       TRP  26  24.286   3.445   4.687
  181    HB2  TRP 836           HB2      TRP  26  25.016   0.579   5.168
  182    HB3  TRP 836           HB3      TRP  26  25.100   1.135   3.574
  183    HD1  TRP 836           HD1      TRP  26  26.911   0.960   6.720
  184    HE1  TRP 836           HE1      TRP  26  29.261   1.963   6.452
  185    HE3  TRP 836           HE3      TRP  26  26.117   3.699   2.488
  186    HZ2  TRP 836           HZ2      TRP  26  30.523   3.985   4.800
  187    HZ3  TRP 836           HZ3      TRP  26  27.933   5.112   1.539
  188    HH2  TRP 836           HH2      TRP  26  30.119   5.281   2.695
  189    H    HIS 837           H        HIS  27  22.271   4.142   3.954
  190    HA   HIS 837           HA       HIS  27  20.110   2.254   3.252
  191    HB2  HIS 837           HB2      HIS  27  19.505   4.368   4.218
  192    HB3  HIS 837           HB3      HIS  27  20.468   5.260   3.037
  193    HD2  HIS 837           HD2      HIS  27  19.091   6.337   1.180
  194    HE1  HIS 837           HE1      HIS  27  15.725   3.720   1.110
  195    HE2  HIS 837           HE2      HIS  27  16.733   5.836   0.115
  196    H    CYS 838           H        CYS  28  19.544   1.509   1.197
  197    HA   CYS 838           HA       CYS  28  21.372   2.027  -1.024
  198    HB2  CYS 838           HB2      CYS  28  19.026   0.258  -0.425
  199    HB3  CYS 838           HB3      CYS  28  19.449   0.511  -2.056
  200    H    GLN 839           H        GLN  29  21.246   3.838  -2.065
  201    HA   GLN 839           HA       GLN  29  19.119   5.738  -1.874
  202    HB2  GLN 839           HB2      GLN  29  21.677   5.536  -3.480
  203    HB3  GLN 839           HB3      GLN  29  20.688   6.894  -3.697
  204    HG2  GLN 839           HG2      GLN  29  21.649   6.076  -0.903
  205    HG3  GLN 839           HG3      GLN  29  22.630   7.041  -2.010
  206   HE21  GLN 839          HE21      GLN  29  21.756   9.162  -2.758
  207   HE22  GLN 839          HE22      GLN  29  20.565   9.957  -1.739
  208    H    ASP 840           H        ASP  30  19.691   3.241  -4.388
  209    HA   ASP 840           HA       ASP  30  17.821   4.687  -6.188
  210    HB2  ASP 840           HB2      ASP  30  20.482   3.934  -6.620
  211    HB3  ASP 840           HB3      ASP  30  19.592   2.703  -7.475
  212    H    CYS 841           H        CYS  31  18.484   1.619  -4.525
  213    HA   CYS 841           HA       CYS  31  16.618   0.079  -5.892
  214    HB2  CYS 841           HB2      CYS  31  16.822  -0.154  -2.961
  215    HB3  CYS 841           HB3      CYS  31  16.564  -1.363  -4.046
  216    HA   PRO 842           HA       PRO  32  12.804   2.198  -4.897
  217    HB2  PRO 842           HB2      PRO  32  11.031   0.403  -5.967
  218    HB3  PRO 842           HB3      PRO  32  12.330   1.123  -6.959
  219    HG2  PRO 842           HG2      PRO  32  12.355  -1.542  -5.484
  220    HG3  PRO 842           HG3      PRO  32  12.703  -1.242  -7.211
  221    HD2  PRO 842           HD2      PRO  32  14.724  -1.379  -5.433
  222    HD3  PRO 842           HD3      PRO  32  14.733  -0.212  -6.779
  223    HA   PRO 843           HA       PRO  33  10.741   0.903  -1.116
  224    HB2  PRO 843           HB2      PRO  33   8.077   0.546  -2.405
  225    HB3  PRO 843           HB3      PRO  33   8.546   1.607  -1.051
  226    HG2  PRO 843           HG2      PRO  33   8.033   2.433  -3.625
  227    HG3  PRO 843           HG3      PRO  33   9.137   3.327  -2.509
  228    HD2  PRO 843           HD2      PRO  33   9.755   1.586  -4.849
  229    HD3  PRO 843           HD3      PRO  33  10.701   2.936  -4.161
  230    H    GLU 844           H        GLU  34  10.313  -1.157  -3.967
  231    HA   GLU 844           HA       GLU  34   8.823  -3.243  -2.621
  232    HB2  GLU 844           HB2      GLU  34  10.219  -2.911  -5.324
  233    HB3  GLU 844           HB3      GLU  34   9.518  -4.446  -4.856
  234    HG2  GLU 844           HG2      GLU  34   7.343  -3.162  -4.392
  235    HG3  GLU 844           HG3      GLU  34   8.082  -1.774  -5.191
  236    H    MET 845           H        MET  35  12.084  -2.429  -3.226
  237    HA   MET 845           HA       MET  35  13.364  -4.875  -2.174
  238    HB2  MET 845           HB2      MET  35  13.106  -4.738  -4.624
  239    HB3  MET 845           HB3      MET  35  13.727  -3.127  -4.644
  240    HG2  MET 845           HG2      MET  35  15.374  -4.686  -5.399
  241    HG3  MET 845           HG3      MET  35  15.923  -3.983  -3.931
  242    HE1  MET 845           HE1      MET  35  14.642  -7.204  -5.749
  243    HE2  MET 845           HE2      MET  35  13.361  -7.065  -4.512
  244    HE3  MET 845           HE3      MET  35  14.525  -8.398  -4.439
  245    H    SER 846           H        SER  36  12.828  -2.863  -0.513
  246    HA   SER 846           HA       SER  36  14.661  -0.610  -0.883
  247    HB2  SER 846           HB2      SER  36  13.569   0.304   1.147
  248    HB3  SER 846           HB3      SER  36  12.528  -0.131  -0.240
  249    HG   SER 846           HG       SER  36  11.525  -1.586   0.992
  250    H    LEU 847           H        LEU  37  16.447  -1.945  -0.977
  251    HA   LEU 847           HA       LEU  37  17.427  -3.429   1.119
  252    HB2  LEU 847           HB2      LEU  37  18.741  -2.170  -1.245
  253    HB3  LEU 847           HB3      LEU  37  19.727  -2.735   0.095
  254    HG   LEU 847           HG       LEU  37  18.229  -4.914  -0.189
  255   HD11  LEU 847          HD11      LEU  37  17.016  -4.248  -2.063
  256   HD12  LEU 847          HD12      LEU  37  18.177  -5.487  -2.576
  257   HD13  LEU 847          HD13      LEU  37  18.500  -3.771  -2.938
  258   HD21  LEU 847          HD21      LEU  37  20.703  -4.326  -1.810
  259   HD22  LEU 847          HD22      LEU  37  20.147  -5.922  -1.284
  260   HD23  LEU 847          HD23      LEU  37  20.714  -4.728  -0.098
  261    H    ASP 848           H        ASP  38  19.088  -3.089   2.549
  262    HA   ASP 848           HA       ASP  38  20.274  -0.477   3.041
  263    HB2  ASP 848           HB2      ASP  38  18.956  -1.911   5.361
  264    HB3  ASP 848           HB3      ASP  38  19.917  -0.431   5.406
  265    H    PHE 849           H        PHE  39  22.253  -0.701   4.161
  266    HA   PHE 849           HA       PHE  39  23.206  -3.446   4.754
  267    HB2  PHE 849           HB2      PHE  39  24.759  -1.250   3.395
  268    HB3  PHE 849           HB3      PHE  39  25.445  -2.745   4.000
  269    HD1  PHE 849           HD1      PHE  39  23.152  -4.643   2.957
  270    HD2  PHE 849           HD2      PHE  39  25.446  -1.488   1.110
  271    HE1  PHE 849           HE1      PHE  39  22.786  -5.669   0.729
  272    HE2  PHE 849           HE2      PHE  39  25.206  -2.609  -1.079
  273    HZ   PHE 849           HZ       PHE  39  23.844  -4.674  -1.280
  274    H    CYS 850           H        CYS  40  24.844  -3.599   6.325
  275    HA   CYS 850           HA       CYS  40  24.923  -1.337   8.224
  276    HB2  CYS 850           HB2      CYS  40  25.751  -2.941   9.870
  277    HB3  CYS 850           HB3      CYS  40  24.234  -3.499   9.175
  278    H    ASP 851           H        ASP  41  27.136  -0.872   9.234
  279    HA   ASP 851           HA       ASP  41  28.838  -0.144   7.037
  280    HB2  ASP 851           HB2      ASP  41  28.529   1.211   8.979
  281    HB3  ASP 851           HB3      ASP  41  29.318   0.068  10.037
  282    H    SER 852           H        SER  42  28.768  -3.036   8.876
  283    HA   SER 852           HA       SER  42  31.426  -4.064   8.206
  284    HB2  SER 852           HB2      SER  42  28.751  -5.418   8.729
  285    HB3  SER 852           HB3      SER  42  30.246  -6.277   8.636
  286    HG   SER 852           HG       SER  42  30.975  -5.149  10.530
  287    H    CYS 853           H        CYS  43  28.406  -3.646   6.511
  288    HA   CYS 853           HA       CYS  43  29.063  -5.693   4.495
  289    HB2  CYS 853           HB2      CYS  43  26.474  -4.719   5.699
  290    HB3  CYS 853           HB3      CYS  43  26.525  -5.590   4.163
  291    H    SER 854           H        SER  44  28.772  -2.170   4.587
  292    HA   SER 854           HA       SER  44  27.314  -1.945   2.132
  293    HB2  SER 854           HB2      SER  44  27.946   0.468   2.353
  294    HB3  SER 854           HB3      SER  44  27.188  -0.305   3.754
  295    HG   SER 854           HG       SER  44  29.171   0.985   4.213
  296    H    ASP 855           H        ASP  45  30.805  -1.825   2.787
  297    HA   ASP 855           HA       ASP  45  31.587  -1.143   0.075
  298    HB2  ASP 855           HB2      ASP  45  33.044  -2.572   2.339
  299    HB3  ASP 855           HB3      ASP  45  33.801  -2.106   0.817
  300    H    CYS 856           H        CYS  46  30.058  -3.884   1.299
  301    HA   CYS 856           HA       CYS  46  31.581  -5.882  -0.243
  302    HB2  CYS 856           HB2      CYS  46  29.007  -6.146   1.385
  303    HB3  CYS 856           HB3      CYS  46  29.927  -7.459   0.737
  304    HG   CYS 856           HG       CYS  46  32.140  -7.064   2.057
  305    H    LEU 857           H        LEU  47  28.585  -4.137  -0.695
  306    HA   LEU 857           HA       LEU  47  26.978  -4.078  -2.242
  307    HB2  LEU 857           HB2      LEU  47  29.174  -3.793  -3.630
  308    HB3  LEU 857           HB3      LEU  47  28.880  -5.434  -4.144
  309    HG   LEU 857           HG       LEU  47  26.523  -4.579  -4.897
  310   HD11  LEU 857          HD11      LEU  47  28.063  -1.937  -4.863
  311   HD12  LEU 857          HD12      LEU  47  26.775  -2.337  -3.712
  312   HD13  LEU 857          HD13      LEU  47  26.395  -2.227  -5.422
  313   HD21  LEU 857          HD21      LEU  47  27.476  -3.902  -7.011
  314   HD22  LEU 857          HD22      LEU  47  28.338  -5.300  -6.377
  315   HD23  LEU 857          HD23      LEU  47  29.087  -3.701  -6.263
  316    H    HIS 858           H        HIS  48  25.259  -5.221  -3.267
  317    HA   HIS 858           HA       HIS  48  25.401  -8.097  -3.713
  318    HB2  HIS 858           HB2      HIS  48  24.783  -7.968  -1.247
  319    HB3  HIS 858           HB3      HIS  48  23.371  -7.020  -1.676
  320    HD2  HIS 858           HD2      HIS  48  21.197  -8.378  -2.120
  321    HE1  HIS 858           HE1      HIS  48  22.887 -12.225  -2.847
  322    HE2  HIS 858           HE2      HIS  48  20.713 -10.933  -2.582
  323    H    GLU 859           H        GLU  49  25.075  -7.846  -5.747
  324    HA   GLU 859           HA       GLU  49  23.009  -6.016  -6.666
  325    HB2  GLU 859           HB2      GLU  49  24.801  -7.771  -8.348
  326    HB3  GLU 859           HB3      GLU  49  23.848  -6.396  -8.809
  327    HG2  GLU 859           HG2      GLU  49  25.345  -4.861  -7.479
  328    HG3  GLU 859           HG3      GLU  49  26.293  -6.290  -7.040
  329    H    THR 860           H        THR  50  21.192  -6.496  -7.643
  330    HA   THR 860           HA       THR  50  20.281  -9.330  -7.725
  331    HB   THR 860           HB       THR  50  18.159  -8.721  -6.753
  332    HG1  THR 860           HG1      THR  50  17.723  -6.622  -6.080
  333   HG21  THR 860          HG21      THR  50  18.687  -8.164  -4.486
  334   HG22  THR 860          HG22      THR  50  20.218  -7.403  -4.953
  335   HG23  THR 860          HG23      THR  50  20.013  -9.162  -5.108
  336    H    ASP 861           H        ASP  51  17.598  -8.559  -8.674
  337    HA   ASP 861           HA       ASP  51  18.084  -7.930 -11.453
  338    HB2  ASP 861           HB2      ASP  51  15.539  -7.765  -9.789
  339    HB3  ASP 861           HB3      ASP  51  15.611  -7.644 -11.544
  340    H    ILE 862           H        ILE  52  17.871  -5.922  -8.623
  341    HA   ILE 862           HA       ILE  52  17.590  -3.432 -10.246
  342    HB   ILE 862           HB       ILE  52  16.288  -4.033  -7.562
  343   HG12  ILE 862          HG12      ILE  52  15.206  -3.946 -10.389
  344   HG13  ILE 862          HG13      ILE  52  15.123  -5.260  -9.232
  345   HG21  ILE 862          HG21      ILE  52  16.542  -1.552  -9.295
  346   HG22  ILE 862          HG22      ILE  52  16.898  -1.749  -7.566
  347   HG23  ILE 862          HG23      ILE  52  15.226  -1.731  -8.120
  348   HD11  ILE 862          HD11      ILE  52  13.603  -3.862  -7.789
  349   HD12  ILE 862          HD12      ILE  52  12.943  -4.365  -9.361
  350   HD13  ILE 862          HD13      ILE  52  13.502  -2.704  -9.147
  351    H    HIS 863           H        HIS  53  18.861  -4.756  -7.104
  352    HA   HIS 863           HA       HIS  53  20.412  -2.313  -6.619
  353    HB2  HIS 863           HB2      HIS  53  19.696  -3.723  -4.808
  354    HB3  HIS 863           HB3      HIS  53  20.591  -5.079  -5.408
  355    HD2  HIS 863           HD2      HIS  53  23.482  -4.272  -5.809
  356    HE1  HIS 863           HE1      HIS  53  23.382  -1.910  -2.316
  357    H    LYS 864           H        LYS  54  22.435  -1.893  -7.352
  358    HA   LYS 864           HA       LYS  54  23.984  -3.840  -8.947
  359    HB2  LYS 864           HB2      LYS  54  23.247  -1.071  -9.978
  360    HB3  LYS 864           HB3      LYS  54  24.272  -2.245 -10.800
  361    HG2  LYS 864           HG2      LYS  54  21.332  -2.512 -10.239
  362    HG3  LYS 864           HG3      LYS  54  22.013  -2.019 -11.778
  363    HD2  LYS 864           HD2      LYS  54  22.913  -4.138 -12.270
  364    HD3  LYS 864           HD3      LYS  54  22.768  -4.733 -10.610
  365    HE2  LYS 864           HE2      LYS  54  20.332  -4.676 -10.731
  366    HE3  LYS 864           HE3      LYS  54  20.379  -3.959 -12.338
  367    HZ1  LYS 864           HZ1      LYS  54  21.154  -6.721 -11.590
  368    HZ2  LYS 864           HZ2      LYS  54  21.630  -6.067 -13.031
  369    HZ3  LYS 864           HZ3      LYS  54  20.045  -6.254 -12.696
  370    H    GLU 865           H        GLU  55  26.164  -3.059  -9.343
  371    HA   GLU 865           HA       GLU  55  27.222  -1.391  -7.260
  372    HB2  GLU 865           HB2      GLU  55  28.416  -3.088  -8.795
  373    HB3  GLU 865           HB3      GLU  55  28.584  -1.774  -9.918
  374    HG2  GLU 865           HG2      GLU  55  29.919  -0.471  -8.385
  375    HG3  GLU 865           HG3      GLU  55  29.551  -1.567  -7.054
  376    H    ASP 866           H        ASP  56  25.426  -0.613 -10.012
  377    HA   ASP 866           HA       ASP  56  26.659   2.026 -10.597
  378    HB2  ASP 866           HB2      ASP  56  25.771   0.562 -12.431
  379    HB3  ASP 866           HB3      ASP  56  24.164   0.666 -11.712
  380    H    HIS 867           H        HIS  57  24.195   0.500  -8.726
  381    HA   HIS 867           HA       HIS  57  22.601   2.846  -8.090
  382    HB2  HIS 867           HB2      HIS  57  21.236   1.083  -7.960
  383    HB3  HIS 867           HB3      HIS  57  22.513  -0.086  -7.731
  384    HD2  HIS 867           HD2      HIS  57  23.385  -0.501  -5.244
  385    HE1  HIS 867           HE1      HIS  57  20.342   1.801  -3.327
  386    H    GLN 868           H        GLN  58  22.632   3.818  -6.072
  387    HA   GLN 868           HA       GLN  58  25.365   4.031  -4.940
  388    HB2  GLN 868           HB2      GLN  58  23.103   6.024  -5.039
  389    HB3  GLN 868           HB3      GLN  58  24.704   6.327  -4.353
  390    HG2  GLN 868           HG2      GLN  58  24.012   5.693  -7.268
  391    HG3  GLN 868           HG3      GLN  58  24.491   7.245  -6.605
  392   HE21  GLN 868          HE21      GLN  58  25.726   4.486  -8.253
  393   HE22  GLN 868          HE22      GLN  58  27.399   4.725  -7.785
  394    H    LEU 869           H        LEU  59  25.892   4.193  -2.765
  395    HA   LEU 869           HA       LEU  59  23.796   3.429  -0.790
  396    HB2  LEU 869           HB2      LEU  59  26.828   3.193  -0.626
  397    HB3  LEU 869           HB3      LEU  59  25.655   2.613   0.543
  398    HG   LEU 869           HG       LEU  59  26.525   0.795  -0.593
  399   HD11  LEU 869          HD11      LEU  59  24.131   0.619  -0.074
  400   HD12  LEU 869          HD12      LEU  59  24.546  -0.318  -1.517
  401   HD13  LEU 869          HD13      LEU  59  23.725   1.231  -1.702
  402   HD21  LEU 869          HD21      LEU  59  26.607   0.268  -2.854
  403   HD22  LEU 869          HD22      LEU  59  27.268   1.901  -2.711
  404   HD23  LEU 869          HD23      LEU  59  25.613   1.636  -3.335
  405    H    GLU 870           H        GLU  60  23.604   4.594   1.158
  406    HA   GLU 870           HA       GLU  60  25.116   7.172   1.354
  407    HB2  GLU 870           HB2      GLU  60  23.042   7.626   0.326
  408    HB3  GLU 870           HB3      GLU  60  22.148   6.668   1.500
  409    HG2  GLU 870           HG2      GLU  60  21.711   8.924   1.970
  410    HG3  GLU 870           HG3      GLU  60  22.730   8.317   3.258
  411    HA   PRO 871           HA       PRO  61  25.554   5.682   5.681
  412    HB2  PRO 871           HB2      PRO  61  27.268   7.562   6.541
  413    HB3  PRO 871           HB3      PRO  61  27.774   6.214   5.484
  414    HG2  PRO 871           HG2      PRO  61  27.174   9.087   4.745
  415    HG3  PRO 871           HG3      PRO  61  28.519   8.046   4.181
  416    HD2  PRO 871           HD2      PRO  61  26.176   8.484   2.775
  417    HD3  PRO 871           HD3      PRO  61  27.158   7.009   2.598
  418    H    ILE 872           H        ILE  62  24.392   6.149   7.392
  419    HA   ILE 872           HA       ILE  62  23.116   8.832   7.780
  420    HB   ILE 872           HB       ILE  62  21.937   6.045   7.943
  421   HG12  ILE 872          HG12      ILE  62  21.306   8.437   6.168
  422   HG13  ILE 872          HG13      ILE  62  22.098   6.939   5.678
  423   HG21  ILE 872          HG21      ILE  62  19.838   7.060   8.689
  424   HG22  ILE 872          HG22      ILE  62  20.588   8.667   8.692
  425   HG23  ILE 872          HG23      ILE  62  21.106   7.405   9.841
  426   HD11  ILE 872          HD11      ILE  62  19.196   7.246   6.512
  427   HD12  ILE 872          HD12      ILE  62  20.000   5.679   6.244
  428   HD13  ILE 872          HD13      ILE  62  19.836   6.852   4.919
  429    H    TYR 873           H        TYR  63  23.948   9.706   9.534
  430    HA   TYR 873           HA       TYR  63  24.906   8.004  11.772
  431    HB2  TYR 873           HB2      TYR  63  25.452  10.935  11.293
  432    HB3  TYR 873           HB3      TYR  63  26.187   9.796  12.441
  433    HD1  TYR 873           HD1      TYR  63  26.233   7.595  10.028
  434    HD2  TYR 873           HD2      TYR  63  27.701  11.596  10.582
  435    HE1  TYR 873           HE1      TYR  63  28.170   7.075   8.549
  436    HE2  TYR 873           HE2      TYR  63  29.600  11.123   9.022
  437    HH   TYR 873           HH       TYR  63  30.655   9.534   7.717
  438    H    ARG 874           H        ARG  64  22.182   8.384  11.659
  439    HA   ARG 874           HA       ARG  64  21.699   9.279  14.320
  440    HB2  ARG 874           HB2      ARG  64  20.080  11.037  13.941
  441    HB3  ARG 874           HB3      ARG  64  21.658  11.496  13.358
  442    HG2  ARG 874           HG2      ARG  64  19.257  10.652  11.690
  443    HG3  ARG 874           HG3      ARG  64  19.922  12.282  11.911
  444    HD2  ARG 874           HD2      ARG  64  21.299  10.056  10.428
  445    HD3  ARG 874           HD3      ARG  64  20.382  11.384   9.712
  446    HE   ARG 874           HE       ARG  64  22.536  12.249  11.508
  447   HH11  ARG 874          HH11      ARG  64  21.713  11.706   8.138
  448   HH12  ARG 874          HH12      ARG  64  23.058  12.651   7.577
  449   HH21  ARG 874          HH21      ARG  64  24.179  13.496  10.709
  450   HH22  ARG 874          HH22      ARG  64  24.406  13.646   8.994
  451    H1   ALA   1           H1       ALA  65  17.265  -3.732   3.382
  452    H2   ALA   1           H2       ALA  65  17.166  -3.561   5.006
  453    H3   ALA   1           H3       ALA  65  16.594  -2.364   4.031
  454    HA   ALA   1           HA       ALA  65  14.916  -3.807   3.159
  455    HB1  ALA   1           HB1      ALA  65  15.588  -5.933   3.175
  456    HB2  ALA   1           HB2      ALA  65  14.604  -5.992   4.634
  457    HB3  ALA   1           HB3      ALA  65  16.374  -5.851   4.773
  458    H    ARG   2           H        ARG  66  13.094  -2.752   3.892
  459    HA   ARG   2           HA       ARG  66  12.807  -1.780   6.618
  460    HB2  ARG   2           HB2      ARG  66  10.787  -2.278   4.374
  461    HB3  ARG   2           HB3      ARG  66  10.382  -1.507   5.913
  462    HG2  ARG   2           HG2      ARG  66  11.918   0.336   5.468
  463    HG3  ARG   2           HG3      ARG  66  12.469  -0.413   3.968
  464    HD2  ARG   2           HD2      ARG  66  10.218  -0.235   3.010
  465    HD3  ARG   2           HD3      ARG  66   9.577   0.404   4.516
  466    HE   ARG   2           HE       ARG  66  11.304   1.783   2.533
  467   HH11  ARG   2          HH11      ARG  66  11.399   4.010   2.581
  468   HH12  ARG   2          HH12      ARG  66  10.754   4.882   3.933
  469   HH21  ARG   2          HH21      ARG  66   9.667   2.099   5.628
  470   HH22  ARG   2          HH22      ARG  66   9.785   3.834   5.614
  471    H    THR   3           H        THR  67  12.032  -2.749   8.426
  472    HA   THR   3           HA       THR  67  10.467  -5.293   8.204
  473    HB   THR   3           HB       THR  67  11.621  -6.189  10.142
  474    HG1  THR   3           HG1      THR  67  13.458  -5.163  10.934
  475   HG21  THR   3          HG21      THR  67  13.732  -5.262   8.162
  476   HG22  THR   3          HG22      THR  67  12.594  -6.599   7.830
  477   HG23  THR   3          HG23      THR  67  13.749  -6.723   9.174
  478    H    LYS   4           H        LYS  68  10.120  -2.166   9.180
  479    HA   LYS   4           HA       LYS  68   8.766  -2.482  11.713
  480    HB2  LYS   4           HB2      LYS  68   8.507  -0.327   9.564
  481    HB3  LYS   4           HB3      LYS  68   7.701  -0.282  11.138
  482    HG2  LYS   4           HG2      LYS  68   9.973  -0.479  12.235
  483    HG3  LYS   4           HG3      LYS  68  10.702  -0.251  10.627
  484    HD2  LYS   4           HD2      LYS  68   9.618   1.946  10.420
  485    HD3  LYS   4           HD3      LYS  68   8.785   1.705  11.975
  486    HE2  LYS   4           HE2      LYS  68  11.006   1.512  13.110
  487    HE3  LYS   4           HE3      LYS  68  11.813   1.853  11.575
  488    HZ1  LYS   4           HZ1      LYS  68  11.553   3.877  12.931
  489    HZ2  LYS   4           HZ2      LYS  68   9.933   3.706  12.977
  490    HZ3  LYS   4           HZ3      LYS  68  10.672   4.041  11.561
  491    H    GLN   5           H        GLN  69   6.604  -2.526  12.223
  492    HA   GLN   5           HA       GLN  69   4.805  -4.018  10.462
  493    HB2  GLN   5           HB2      GLN  69   4.399  -2.771  13.214
  494    HB3  GLN   5           HB3      GLN  69   3.238  -3.816  12.383
  495    HG2  GLN   5           HG2      GLN  69   4.945  -5.648  12.342
  496    HG3  GLN   5           HG3      GLN  69   6.036  -4.627  13.283
  497   HE21  GLN   5          HE21      GLN  69   5.587  -6.965  14.456
  498   HE22  GLN   5          HE22      GLN  69   4.411  -6.816  15.757
  499    H    THR   6           H        THR  70   2.497  -3.268  10.189
  500    HA   THR   6           HA       THR  70   2.062  -0.361  10.004
  501    HB   THR   6           HB       THR  70   3.049  -0.844   7.821
  502    HG1  THR   6           HG1      THR  70   1.540   0.693   7.658
  503   HG21  THR   6          HG21      THR  70   1.913  -2.236   6.165
  504   HG22  THR   6          HG22      THR  70   0.711  -2.752   7.364
  505   HG23  THR   6          HG23      THR  70   2.414  -3.235   7.535
  506    H    ALA   7           H        ALA  71  -0.111   0.273   9.856
  507    HA   ALA   7           HA       ALA  71  -2.128  -1.605  10.841
  508    HB1  ALA   7           HB1      ALA  71  -2.308   1.314   9.975
  509    HB2  ALA   7           HB2      ALA  71  -1.992   0.736  11.630
  510    HB3  ALA   7           HB3      ALA  71  -3.550   0.402  10.854
  511    H    ARG   8           H        ARG  72  -0.955  -0.786   7.707
  512    HA   ARG   8           HA       ARG  72  -3.387  -0.908   6.161
  513    HB2  ARG   8           HB2      ARG  72  -0.469  -1.392   5.419
  514    HB3  ARG   8           HB3      ARG  72  -1.792  -1.326   4.251
  515    HG2  ARG   8           HG2      ARG  72  -2.322   0.991   4.919
  516    HG3  ARG   8           HG3      ARG  72  -1.018   0.962   6.121
  517    HD2  ARG   8           HD2      ARG  72   0.645   0.579   4.337
  518    HD3  ARG   8           HD3      ARG  72  -0.649   0.595   3.119
  519    HE   ARG   8           HE       ARG  72  -0.776   3.001   4.668
  520   HH11  ARG   8          HH11      ARG  72  -0.119   4.954   3.834
  521   HH12  ARG   8          HH12      ARG  72   0.981   5.004   2.490
  522   HH21  ARG   8          HH21      ARG  72   1.261   1.592   2.190
  523   HH22  ARG   8          HH22      ARG  72   1.747   3.148   1.573
  524    H    LYS   9           H        LYS  73  -4.209  -2.528   4.846
  525    HA   LYS   9           HA       LYS  73  -4.243  -5.220   5.940
  526    HB2  LYS   9           HB2      LYS  73  -5.298  -4.240   3.251
  527    HB3  LYS   9           HB3      LYS  73  -5.726  -5.738   4.076
  528    HG2  LYS   9           HG2      LYS  73  -6.787  -4.399   5.915
  529    HG3  LYS   9           HG3      LYS  73  -6.462  -2.926   4.971
  530    HD2  LYS   9           HD2      LYS  73  -7.669  -4.021   3.023
  531    HD3  LYS   9           HD3      LYS  73  -8.154  -5.322   4.124
  532    HE2  LYS   9           HE2      LYS  73  -9.334  -3.653   5.543
  533    HE3  LYS   9           HE3      LYS  73  -8.813  -2.365   4.444
  534    HZ1  LYS   9           HZ1      LYS  73 -10.650  -4.600   3.769
  535    HZ2  LYS   9           HZ2      LYS  73 -10.004  -3.625   2.633
  536    HZ3  LYS   9           HZ3      LYS  73 -11.014  -3.008   3.781
  537    H    SER  10           H        SER  74  -3.767  -7.182   4.787
  538    HA   SER  10           HA       SER  74  -1.312  -7.219   3.193
  539    HB2  SER  10           HB2      SER  74  -1.740  -9.648   3.102
  540    HB3  SER  10           HB3      SER  74  -1.801  -9.015   4.758
  541    HG   SER  10           HG       SER  74  -3.558 -10.439   4.314
  542    H    THR  11           H        THR  75  -4.799  -7.441   2.534
  543    HA   THR  11           HA       THR  75  -4.450  -6.684  -0.253
  544    HB   THR  11           HB       THR  75  -4.080  -9.164  -0.292
  545    HG1  THR  11           HG1      THR  75  -4.826  -8.325  -2.152
  546   HG21  THR  11          HG21      THR  75  -5.662  -9.841   1.505
  547   HG22  THR  11          HG22      THR  75  -5.949 -10.695  -0.021
  548   HG23  THR  11          HG23      THR  75  -7.028  -9.371   0.471
  549    H    GLY  12           H        GLY  76  -6.597  -6.357  -1.333
  550    HA2  GLY  12           HA2      GLY  76  -8.769  -5.576  -1.438
  551    HA3  GLY  12           HA3      GLY  76  -9.081  -6.324   0.123
  Start of MODEL    4
    1    H1   GLY 811           H1       GLY   1  20.988  11.355  17.489
    2    H2   GLY 811           H2       GLY   1  21.875  12.010  18.707
    3    H3   GLY 811           H3       GLY   1  20.496  11.197  19.041
    4    HA2  GLY 811           HA2      GLY   1  22.377   9.783  19.588
    5    HA3  GLY 811           HA3      GLY   1  21.427   9.117  18.262
    6    HA   PRO 812           HA       PRO   2  25.701  10.632  16.589
    7    HB2  PRO 812           HB2      PRO   2  27.411   9.496  18.788
    8    HB3  PRO 812           HB3      PRO   2  27.590  11.048  17.923
    9    HG2  PRO 812           HG2      PRO   2  26.693  11.015  20.455
   10    HG3  PRO 812           HG3      PRO   2  25.908  12.085  19.248
   11    HD2  PRO 812           HD2      PRO   2  25.029   9.304  20.126
   12    HD3  PRO 812           HD3      PRO   2  24.075  10.821  20.087
   13    H    LEU 813           H        LEU   3  27.753   9.419  15.910
   14    HA   LEU 813           HA       LEU   3  27.045   6.904  14.790
   15    HB2  LEU 813           HB2      LEU   3  29.758   8.250  15.140
   16    HB3  LEU 813           HB3      LEU   3  29.549   6.701  14.347
   17    HG   LEU 813           HG       LEU   3  28.046   7.793  12.684
   18   HD11  LEU 813          HD11      LEU   3  28.381  10.289  12.402
   19   HD12  LEU 813          HD12      LEU   3  29.025  10.322  14.052
   20   HD13  LEU 813          HD13      LEU   3  27.337   9.818  13.743
   21   HD21  LEU 813          HD21      LEU   3  30.365   7.264  12.212
   22   HD22  LEU 813          HD22      LEU   3  30.880   8.837  12.881
   23   HD23  LEU 813          HD23      LEU   3  29.883   8.761  11.404
   24    H    GLY 814           H        GLY   4  27.686   4.823  15.258
   25    HA2  GLY 814           HA2      GLY   4  28.329   3.009  16.632
   26    HA3  GLY 814           HA3      GLY   4  28.926   4.127  17.861
   27    H    SER 815           H        SER   5  26.060   5.513  17.427
   28    HA   SER 815           HA       SER   5  24.416   3.556  18.985
   29    HB2  SER 815           HB2      SER   5  24.211   6.553  19.246
   30    HB3  SER 815           HB3      SER   5  23.558   5.328  20.335
   31    HG   SER 815           HG       SER   5  26.291   6.098  20.056
   32    H    VAL 816           H        VAL   6  24.487   4.755  15.974
   33    HA   VAL 816           HA       VAL   6  21.634   5.526  15.879
   34    HB   VAL 816           HB       VAL   6  24.005   5.634  14.073
   35   HG11  VAL 816          HG11      VAL   6  22.569   6.369  12.243
   36   HG12  VAL 816          HG12      VAL   6  21.160   5.730  13.164
   37   HG13  VAL 816          HG13      VAL   6  22.447   4.616  12.603
   38   HG21  VAL 816          HG21      VAL   6  23.206   7.400  15.651
   39   HG22  VAL 816          HG22      VAL   6  21.690   7.476  14.704
   40   HG23  VAL 816          HG23      VAL   6  23.273   7.903  13.967
   41    H    GLN 817           H        GLN   7  20.200   4.103  15.893
   42    HA   GLN 817           HA       GLN   7  20.686   1.378  14.792
   43    HB2  GLN 817           HB2      GLN   7  19.451   0.538  16.812
   44    HB3  GLN 817           HB3      GLN   7  21.118   1.066  17.049
   45    HG2  GLN 817           HG2      GLN   7  20.395   3.210  17.973
   46    HG3  GLN 817           HG3      GLN   7  18.723   2.838  17.736
   47   HE21  GLN 817          HE21      GLN   7  19.491   3.654  20.168
   48   HE22  GLN 817          HE22      GLN   7  19.724   2.343  21.309
   49    H    HIS 818           H        HIS   8  19.506   1.329  13.103
   50    HA   HIS 818           HA       HIS   8  16.984   2.819  12.965
   51    HB2  HIS 818           HB2      HIS   8  18.731   1.337  10.999
   52    HB3  HIS 818           HB3      HIS   8  17.097   1.821  10.564
   53    HD2  HIS 818           HD2      HIS   8  20.192   3.698  12.071
   54    HE1  HIS 818           HE1      HIS   8  17.740   6.515  10.012
   55    HE2  HIS 818           HE2      HIS   8  19.814   6.263  11.402
   56    H    VAL 819           H        VAL   9  16.182   1.354  14.749
   57    HA   VAL 819           HA       VAL   9  15.408  -1.319  14.567
   58    HB   VAL 819           HB       VAL   9  14.136   0.864  16.188
   59   HG11  VAL 819          HG11      VAL   9  13.587  -0.981  17.746
   60   HG12  VAL 819          HG12      VAL   9  14.249  -2.167  16.605
   61   HG13  VAL 819          HG13      VAL   9  12.779  -1.251  16.203
   62   HG21  VAL 819          HG21      VAL   9  16.464  -1.027  16.771
   63   HG22  VAL 819          HG22      VAL   9  15.666   0.018  17.966
   64   HG23  VAL 819          HG23      VAL   9  16.549   0.739  16.634
   65    H    GLY 820           H        GLY  10  14.926  -1.340  12.345
   66    HA2  GLY 820           HA2      GLY  10  12.593  -2.460  11.674
   67    HA3  GLY 820           HA3      GLY  10  12.209  -0.806  11.296
   68    H    PHE 821           H        PHE  11  15.587  -1.634  10.760
   69    HA   PHE 821           HA       PHE  11  15.139  -1.985   7.825
   70    HB2  PHE 821           HB2      PHE  11  16.953   0.010   9.208
   71    HB3  PHE 821           HB3      PHE  11  16.949  -0.339   7.491
   72    HD1  PHE 821           HD1      PHE  11  14.854   1.091  10.262
   73    HD2  PHE 821           HD2      PHE  11  15.501   0.814   6.001
   74    HE1  PHE 821           HE1      PHE  11  13.240   2.934   9.894
   75    HE2  PHE 821           HE2      PHE  11  13.908   2.688   5.647
   76    HZ   PHE 821           HZ       PHE  11  12.767   3.740   7.592
   77    H    LYS 822           H        LYS  12  15.910  -4.018   7.645
   78    HA   LYS 822           HA       LYS  12  18.085  -5.069   9.200
   79    HB2  LYS 822           HB2      LYS  12  16.081  -6.383   8.607
   80    HB3  LYS 822           HB3      LYS  12  16.429  -6.154   6.911
   81    HG2  LYS 822           HG2      LYS  12  18.663  -7.419   7.387
   82    HG3  LYS 822           HG3      LYS  12  17.934  -7.945   8.871
   83    HD2  LYS 822           HD2      LYS  12  16.634  -8.272   6.168
   84    HD3  LYS 822           HD3      LYS  12  17.790  -9.455   6.775
   85    HE2  LYS 822           HE2      LYS  12  16.430  -9.821   8.757
   86    HE3  LYS 822           HE3      LYS  12  15.191  -8.680   8.197
   87    HZ1  LYS 822           HZ1      LYS  12  14.809 -10.174   6.271
   88    HZ2  LYS 822           HZ2      LYS  12  14.577 -10.985   7.668
   89    HZ3  LYS 822           HZ3      LYS  12  15.944 -11.223   6.809
   90    H    CYS 823           H        CYS  13  20.208  -5.671   8.476
   91    HA   CYS 823           HA       CYS  13  21.329  -4.589   5.986
   92    HB2  CYS 823           HB2      CYS  13  22.789  -4.780   7.916
   93    HB3  CYS 823           HB3      CYS  13  22.396  -6.482   8.116
   94    H    ASP 824           H        ASP  14  20.869  -5.536   3.995
   95    HA   ASP 824           HA       ASP  14  19.716  -8.150   3.758
   96    HB2  ASP 824           HB2      ASP  14  20.998  -6.315   1.700
   97    HB3  ASP 824           HB3      ASP  14  20.183  -7.822   1.297
   98    H    ASN 825           H        ASN  15  23.020  -7.360   4.239
   99    HA   ASN 825           HA       ASN  15  24.045  -9.688   2.706
  100    HB2  ASN 825           HB2      ASN  15  25.290  -7.510   2.741
  101    HB3  ASN 825           HB3      ASN  15  25.529  -7.725   4.466
  102   HD21  ASN 825          HD21      ASN  15  27.574  -8.369   4.859
  103   HD22  ASN 825          HD22      ASN  15  28.436  -9.589   3.908
  104    H    CYS 826           H        CYS  16  24.224  -8.605   6.166
  105    HA   CYS 826           HA       CYS  16  24.711 -11.438   6.934
  106    HB2  CYS 826           HB2      CYS  16  25.692 -10.600   8.923
  107    HB3  CYS 826           HB3      CYS  16  26.419  -9.792   7.538
  108    H    GLY 827           H        GLY  17  22.101  -9.231   6.926
  109    HA2  GLY 827           HA2      GLY  17  19.966  -9.603   7.508
  110    HA3  GLY 827           HA3      GLY  17  20.391 -11.157   8.155
  111    H    ILE 828           H        ILE  18  22.114  -8.453   9.657
  112    HA   ILE 828           HA       ILE  18  20.607  -8.657  12.142
  113    HB   ILE 828           HB       ILE  18  22.845  -7.895  12.350
  114   HG12  ILE 828          HG12      ILE  18  21.257  -5.336  12.775
  115   HG13  ILE 828          HG13      ILE  18  20.854  -6.781  13.672
  116   HG21  ILE 828          HG21      ILE  18  23.196  -6.826  10.111
  117   HG22  ILE 828          HG22      ILE  18  23.811  -5.859  11.430
  118   HG23  ILE 828          HG23      ILE  18  22.271  -5.420  10.652
  119   HD11  ILE 828          HD11      ILE  18  23.146  -6.894  14.591
  120   HD12  ILE 828          HD12      ILE  18  22.322  -5.371  14.985
  121   HD13  ILE 828          HD13      ILE  18  23.564  -5.399  13.720
  122    H    GLU 829           H        GLU  19  18.660  -8.290  12.275
  123    HA   GLU 829           HA       GLU  19  17.153  -6.886  10.458
  124    HB2  GLU 829           HB2      GLU  19  15.328  -7.092  12.323
  125    HB3  GLU 829           HB3      GLU  19  15.823  -8.379  11.241
  126    HG2  GLU 829           HG2      GLU  19  17.182  -9.399  12.977
  127    HG3  GLU 829           HG3      GLU  19  16.959  -8.012  14.044
  128    HA   PRO 830           HA       PRO  20  17.561  -2.951  11.509
  129    HB2  PRO 830           HB2      PRO  20  17.366  -1.801  13.766
  130    HB3  PRO 830           HB3      PRO  20  16.059  -2.954  13.282
  131    HG2  PRO 830           HG2      PRO  20  18.371  -3.379  15.129
  132    HG3  PRO 830           HG3      PRO  20  16.685  -3.864  15.386
  133    HD2  PRO 830           HD2      PRO  20  18.778  -5.488  14.305
  134    HD3  PRO 830           HD3      PRO  20  17.029  -5.802  14.122
  135    H    ILE 831           H        ILE  21  19.254  -1.890  10.764
  136    HA   ILE 831           HA       ILE  21  21.891  -2.611  11.613
  137    HB   ILE 831           HB       ILE  21  20.866  -0.420   9.803
  138   HG12  ILE 831          HG12      ILE  21  22.469  -2.776   8.854
  139   HG13  ILE 831          HG13      ILE  21  20.856  -3.178   9.435
  140   HG21  ILE 831          HG21      ILE  21  23.726  -1.294  10.433
  141   HG22  ILE 831          HG22      ILE  21  23.018   0.323  10.598
  142   HG23  ILE 831          HG23      ILE  21  23.264  -0.376   8.990
  143   HD11  ILE 831          HD11      ILE  21  21.436  -0.997   7.392
  144   HD12  ILE 831          HD12      ILE  21  19.851  -1.627   7.840
  145   HD13  ILE 831          HD13      ILE  21  21.010  -2.659   6.978
  146    H    GLN 832           H        GLN  22  22.963  -2.043  13.330
  147    HA   GLN 832           HA       GLN  22  22.505   0.534  14.669
  148    HB2  GLN 832           HB2      GLN  22  23.953  -1.881  15.764
  149    HB3  GLN 832           HB3      GLN  22  23.420  -0.430  16.620
  150    HG2  GLN 832           HG2      GLN  22  20.991  -1.216  15.671
  151    HG3  GLN 832           HG3      GLN  22  21.793  -2.773  15.594
  152   HE21  GLN 832          HE21      GLN  22  19.498  -1.891  17.337
  153   HE22  GLN 832          HE22      GLN  22  20.088  -2.113  18.971
  154    H    GLY 833           H        GLY  23  24.186   1.827  15.416
  155    HA2  GLY 833           HA2      GLY  23  26.385   2.761  15.473
  156    HA3  GLY 833           HA3      GLY  23  26.892   1.723  14.176
  157    H    VAL 834           H        VAL  24  25.745   2.062  12.101
  158    HA   VAL 834           HA       VAL  24  24.569   4.672  11.516
  159    HB   VAL 834           HB       VAL  24  25.971   5.080   9.585
  160   HG11  VAL 834          HG11      VAL  24  26.463   6.213  11.696
  161   HG12  VAL 834          HG12      VAL  24  27.905   6.003  10.680
  162   HG13  VAL 834          HG13      VAL  24  27.679   4.957  12.078
  163   HG21  VAL 834          HG21      VAL  24  28.219   4.105   9.302
  164   HG22  VAL 834          HG22      VAL  24  26.903   2.999   8.936
  165   HG23  VAL 834          HG23      VAL  24  27.781   2.864  10.495
  166    H    ARG 835           H        ARG  25  22.987   4.385   9.874
  167    HA   ARG 835           HA       ARG  25  22.829   1.651   8.685
  168    HB2  ARG 835           HB2      ARG  25  20.764   2.430   9.539
  169    HB3  ARG 835           HB3      ARG  25  20.814   3.910   8.576
  170    HG2  ARG 835           HG2      ARG  25  20.479   2.725   6.515
  171    HG3  ARG 835           HG3      ARG  25  20.924   1.182   7.242
  172    HD2  ARG 835           HD2      ARG  25  18.588   1.106   6.925
  173    HD3  ARG 835           HD3      ARG  25  18.869   1.254   8.637
  174    HE   ARG 835           HE       ARG  25  17.967   3.416   8.651
  175   HH11  ARG 835          HH11      ARG  25  16.622   4.917   8.008
  176   HH12  ARG 835          HH12      ARG  25  16.177   5.096   6.331
  177   HH21  ARG 835          HH21      ARG  25  17.865   2.247   5.295
  178   HH22  ARG 835          HH22      ARG  25  16.957   3.640   4.801
  179    H    TRP 836           H        TRP  26  23.818   1.101   6.844
  180    HA   TRP 836           HA       TRP  26  24.447   3.178   4.825
  181    HB2  TRP 836           HB2      TRP  26  25.213   0.330   5.344
  182    HB3  TRP 836           HB3      TRP  26  25.282   0.869   3.741
  183    HD1  TRP 836           HD1      TRP  26  27.025   0.843   6.954
  184    HE1  TRP 836           HE1      TRP  26  29.385   1.827   6.688
  185    HE3  TRP 836           HE3      TRP  26  26.331   3.379   2.572
  186    HZ2  TRP 836           HZ2      TRP  26  30.704   3.723   4.933
  187    HZ3  TRP 836           HZ3      TRP  26  28.170   4.737   1.596
  188    HH2  TRP 836           HH2      TRP  26  30.355   4.914   2.766
  189    H    HIS 837           H        HIS  27  22.449   3.842   4.130
  190    HA   HIS 837           HA       HIS  27  20.261   2.021   3.364
  191    HB2  HIS 837           HB2      HIS  27  19.748   4.137   4.349
  192    HB3  HIS 837           HB3      HIS  27  20.771   5.007   3.206
  193    HD2  HIS 837           HD2      HIS  27  19.516   6.187   1.324
  194    HE1  HIS 837           HE1      HIS  27  15.913   3.897   1.282
  195    HE2  HIS 837           HE2      HIS  27  17.099   5.920   0.291
  196    H    CYS 838           H        CYS  28  19.716   1.277   1.314
  197    HA   CYS 838           HA       CYS  28  21.481   1.861  -0.947
  198    HB2  CYS 838           HB2      CYS  28  19.160   0.069  -0.319
  199    HB3  CYS 838           HB3      CYS  28  19.452   0.428  -1.953
  200    H    GLN 839           H        GLN  29  21.319   3.733  -1.904
  201    HA   GLN 839           HA       GLN  29  19.275   5.674  -1.517
  202    HB2  GLN 839           HB2      GLN  29  21.558   5.440  -3.508
  203    HB3  GLN 839           HB3      GLN  29  20.621   6.855  -3.403
  204    HG2  GLN 839           HG2      GLN  29  21.256   6.728  -0.788
  205    HG3  GLN 839           HG3      GLN  29  22.596   5.777  -1.404
  206   HE21  GLN 839          HE21      GLN  29  24.396   7.237  -1.319
  207   HE22  GLN 839          HE22      GLN  29  24.262   8.904  -1.822
  208    H    ASP 840           H        ASP  30  19.655   3.306  -4.218
  209    HA   ASP 840           HA       ASP  30  17.688   4.878  -5.791
  210    HB2  ASP 840           HB2      ASP  30  20.244   4.056  -6.476
  211    HB3  ASP 840           HB3      ASP  30  19.265   2.821  -7.230
  212    H    CYS 841           H        CYS  31  18.376   1.697  -4.358
  213    HA   CYS 841           HA       CYS  31  16.410   0.260  -5.651
  214    HB2  CYS 841           HB2      CYS  31  16.816  -0.148  -2.755
  215    HB3  CYS 841           HB3      CYS  31  16.486  -1.286  -3.910
  216    HA   PRO 842           HA       PRO  32  12.629   2.248  -4.307
  217    HB2  PRO 842           HB2      PRO  32  10.821   0.450  -5.318
  218    HB3  PRO 842           HB3      PRO  32  12.012   1.262  -6.371
  219    HG2  PRO 842           HG2      PRO  32  12.236  -1.474  -5.058
  220    HG3  PRO 842           HG3      PRO  32  12.439  -1.071  -6.779
  221    HD2  PRO 842           HD2      PRO  32  14.594  -1.234  -5.190
  222    HD3  PRO 842           HD3      PRO  32  14.460   0.011  -6.458
  223    HA   PRO 843           HA       PRO  33  10.943   0.761  -0.425
  224    HB2  PRO 843           HB2      PRO  33   8.195   0.329  -1.500
  225    HB3  PRO 843           HB3      PRO  33   8.736   1.351  -0.138
  226    HG2  PRO 843           HG2      PRO  33   7.979   2.283  -2.603
  227    HG3  PRO 843           HG3      PRO  33   9.177   3.146  -1.563
  228    HD2  PRO 843           HD2      PRO  33   9.594   1.515  -4.025
  229    HD3  PRO 843           HD3      PRO  33  10.568   2.868  -3.385
  230    H    GLU 844           H        GLU  34  10.262  -1.227  -3.287
  231    HA   GLU 844           HA       GLU  34   8.965  -3.405  -1.918
  232    HB2  GLU 844           HB2      GLU  34  10.381  -3.089  -4.622
  233    HB3  GLU 844           HB3      GLU  34   9.489  -4.520  -4.205
  234    HG2  GLU 844           HG2      GLU  34   8.434  -1.685  -4.586
  235    HG3  GLU 844           HG3      GLU  34   8.215  -3.064  -5.641
  236    H    MET 845           H        MET  35  12.141  -2.513  -2.846
  237    HA   MET 845           HA       MET  35  13.569  -4.959  -2.014
  238    HB2  MET 845           HB2      MET  35  13.090  -4.683  -4.428
  239    HB3  MET 845           HB3      MET  35  13.665  -3.055  -4.387
  240    HG2  MET 845           HG2      MET  35  15.287  -4.475  -5.382
  241    HG3  MET 845           HG3      MET  35  15.945  -3.904  -3.907
  242    HE1  MET 845           HE1      MET  35  13.528  -6.971  -4.900
  243    HE2  MET 845           HE2      MET  35  14.767  -8.250  -4.948
  244    HE3  MET 845           HE3      MET  35  14.873  -6.871  -6.068
  245    H    SER 846           H        SER  36  12.978  -2.887  -0.313
  246    HA   SER 846           HA       SER  36  14.862  -0.676  -0.610
  247    HB2  SER 846           HB2      SER  36  13.871   0.105   1.537
  248    HB3  SER 846           HB3      SER  36  12.751  -0.227   0.189
  249    HG   SER 846           HG       SER  36  11.814  -1.741   1.368
  250    H    LEU 847           H        LEU  37  16.618  -2.114  -0.835
  251    HA   LEU 847           HA       LEU  37  17.637  -3.687   1.158
  252    HB2  LEU 847           HB2      LEU  37  18.912  -2.309  -1.149
  253    HB3  LEU 847           HB3      LEU  37  19.927  -2.996   0.106
  254    HG   LEU 847           HG       LEU  37  18.384  -5.126  -0.323
  255   HD11  LEU 847          HD11      LEU  37  18.233  -5.403  -2.811
  256   HD12  LEU 847          HD12      LEU  37  18.470  -3.640  -2.923
  257   HD13  LEU 847          HD13      LEU  37  17.070  -4.312  -2.055
  258   HD21  LEU 847          HD21      LEU  37  20.248  -5.964  -1.735
  259   HD22  LEU 847          HD22      LEU  37  20.848  -5.060  -0.333
  260   HD23  LEU 847          HD23      LEU  37  20.817  -4.288  -1.921
  261    H    ASP 848           H        ASP  38  19.398  -3.378   2.556
  262    HA   ASP 848           HA       ASP  38  20.591  -0.777   3.051
  263    HB2  ASP 848           HB2      ASP  38  19.385  -2.204   5.422
  264    HB3  ASP 848           HB3      ASP  38  20.261  -0.671   5.394
  265    H    PHE 849           H        PHE  39  22.480  -0.989   4.438
  266    HA   PHE 849           HA       PHE  39  23.461  -3.719   4.970
  267    HB2  PHE 849           HB2      PHE  39  25.036  -1.528   3.620
  268    HB3  PHE 849           HB3      PHE  39  25.727  -2.985   4.297
  269    HD1  PHE 849           HD1      PHE  39  23.580  -1.640   1.580
  270    HD2  PHE 849           HD2      PHE  39  25.555  -5.143   3.142
  271    HE1  PHE 849           HE1      PHE  39  23.219  -2.828  -0.575
  272    HE2  PHE 849           HE2      PHE  39  25.269  -6.270   0.933
  273    HZ   PHE 849           HZ       PHE  39  24.088  -5.123  -0.904
  274    H    CYS 850           H        CYS  40  25.024  -3.830   6.668
  275    HA   CYS 850           HA       CYS  40  24.999  -1.490   8.479
  276    HB2  CYS 850           HB2      CYS  40  25.822  -3.047  10.208
  277    HB3  CYS 850           HB3      CYS  40  24.303  -3.596   9.521
  278    H    ASP 851           H        ASP  41  27.151  -0.898   9.536
  279    HA   ASP 851           HA       ASP  41  28.933  -0.294   7.356
  280    HB2  ASP 851           HB2      ASP  41  28.544   1.199   9.183
  281    HB3  ASP 851           HB3      ASP  41  29.268   0.124  10.352
  282    H    SER 852           H        SER  42  28.801  -3.042   9.406
  283    HA   SER 852           HA       SER  42  31.469  -4.120   8.956
  284    HB2  SER 852           HB2      SER  42  28.748  -5.413   9.377
  285    HB3  SER 852           HB3      SER  42  30.225  -6.302   9.434
  286    HG   SER 852           HG       SER  42  30.860  -5.082  11.293
  287    H    CYS 853           H        CYS  43  28.539  -3.842   7.054
  288    HA   CYS 853           HA       CYS  43  29.365  -5.981   5.200
  289    HB2  CYS 853           HB2      CYS  43  26.678  -4.995   6.170
  290    HB3  CYS 853           HB3      CYS  43  26.841  -5.924   4.679
  291    H    SER 854           H        SER  44  28.749  -2.430   5.103
  292    HA   SER 854           HA       SER  44  27.756  -2.411   2.415
  293    HB2  SER 854           HB2      SER  44  28.312   0.045   2.562
  294    HB3  SER 854           HB3      SER  44  27.253  -0.629   3.787
  295    HG   SER 854           HG       SER  44  29.021   0.673   4.670
  296    H    ASP 855           H        ASP  45  30.895  -3.238   3.310
  297    HA   ASP 855           HA       ASP  45  32.358  -2.157   1.046
  298    HB2  ASP 855           HB2      ASP  45  32.729  -4.760   2.597
  299    HB3  ASP 855           HB3      ASP  45  33.887  -4.074   1.461
  300    H    CYS 856           H        CYS  46  29.751  -4.357   1.277
  301    HA   CYS 856           HA       CYS  46  30.288  -5.939  -1.132
  302    HB2  CYS 856           HB2      CYS  46  29.033  -6.890   0.704
  303    HB3  CYS 856           HB3      CYS  46  27.837  -5.572   0.640
  304    HG   CYS 856           HG       CYS  46  28.513  -8.033  -1.485
  305    H    LEU 857           H        LEU  47  29.366  -5.717  -3.068
  306    HA   LEU 857           HA       LEU  47  27.739  -3.342  -3.796
  307    HB2  LEU 857           HB2      LEU  47  30.232  -2.782  -3.892
  308    HB3  LEU 857           HB3      LEU  47  30.351  -3.957  -5.203
  309    HG   LEU 857           HG       LEU  47  28.536  -2.618  -6.398
  310   HD11  LEU 857          HD11      LEU  47  27.592  -1.327  -4.557
  311   HD12  LEU 857          HD12      LEU  47  28.284  -0.231  -5.751
  312   HD13  LEU 857          HD13      LEU  47  29.167  -0.563  -4.245
  313   HD21  LEU 857          HD21      LEU  47  30.111  -0.890  -7.185
  314   HD22  LEU 857          HD22      LEU  47  30.945  -2.440  -6.979
  315   HD23  LEU 857          HD23      LEU  47  31.139  -1.167  -5.759
  316    H    HIS 858           H        HIS  48  26.462  -5.402  -3.621
  317    HA   HIS 858           HA       HIS  48  26.567  -7.388  -5.736
  318    HB2  HIS 858           HB2      HIS  48  25.717  -7.705  -3.342
  319    HB3  HIS 858           HB3      HIS  48  24.339  -6.726  -3.765
  320    HD2  HIS 858           HD2      HIS  48  22.526  -8.599  -3.478
  321    HE1  HIS 858           HE1      HIS  48  24.101 -11.501  -6.179
  322    HE2  HIS 858           HE2      HIS  48  22.133 -10.915  -4.678
  323    H    GLU 859           H        GLU  49  24.834  -8.000  -7.049
  324    HA   GLU 859           HA       GLU  49  23.191  -5.811  -8.091
  325    HB2  GLU 859           HB2      GLU  49  24.671  -7.762  -9.874
  326    HB3  GLU 859           HB3      GLU  49  23.628  -6.430 -10.280
  327    HG2  GLU 859           HG2      GLU  49  25.442  -4.950  -9.008
  328    HG3  GLU 859           HG3      GLU  49  26.459  -6.349  -9.332
  329    H    THR 860           H        THR  50  21.147  -6.406  -8.029
  330    HA   THR 860           HA       THR  50  20.187  -9.001  -8.857
  331    HB   THR 860           HB       THR  50  20.884  -9.718  -6.672
  332    HG1  THR 860           HG1      THR  50  19.032 -10.684  -7.324
  333   HG21  THR 860          HG21      THR  50  19.010  -7.692  -5.386
  334   HG22  THR 860          HG22      THR  50  20.784  -7.557  -5.407
  335   HG23  THR 860          HG23      THR  50  19.996  -8.910  -4.581
  336    H    ASP 861           H        ASP  51  18.571  -8.566 -10.011
  337    HA   ASP 861           HA       ASP  51  16.821  -7.740 -11.048
  338    HB2  ASP 861           HB2      ASP  51  15.840  -8.671  -8.942
  339    HB3  ASP 861           HB3      ASP  51  15.756  -7.039  -8.301
  340    H    ILE 862           H        ILE  52  17.549  -5.455  -8.508
  341    HA   ILE 862           HA       ILE  52  17.166  -3.066 -10.248
  342    HB   ILE 862           HB       ILE  52  15.959  -3.622  -7.512
  343   HG12  ILE 862          HG12      ILE  52  14.695  -4.692  -9.383
  344   HG13  ILE 862          HG13      ILE  52  13.812  -3.553  -8.428
  345   HG21  ILE 862          HG21      ILE  52  16.252  -1.088  -9.106
  346   HG22  ILE 862          HG22      ILE  52  16.533  -1.387  -7.377
  347   HG23  ILE 862          HG23      ILE  52  14.864  -1.308  -8.022
  348   HD11  ILE 862          HD11      ILE  52  13.985  -1.849 -10.218
  349   HD12  ILE 862          HD12      ILE  52  13.304  -3.360 -10.841
  350   HD13  ILE 862          HD13      ILE  52  14.996  -2.960 -11.179
  351    H    HIS 863           H        HIS  53  18.486  -4.487  -7.244
  352    HA   HIS 863           HA       HIS  53  20.160  -2.187  -6.592
  353    HB2  HIS 863           HB2      HIS  53  19.318  -3.792  -4.922
  354    HB3  HIS 863           HB3      HIS  53  20.171  -5.092  -5.720
  355    HD2  HIS 863           HD2      HIS  53  22.456  -5.679  -4.753
  356    HE1  HIS 863           HE1      HIS  53  23.405  -2.054  -2.751
  357    H    LYS 864           H        LYS  54  22.304  -1.908  -7.279
  358    HA   LYS 864           HA       LYS  54  23.576  -3.772  -9.186
  359    HB2  LYS 864           HB2      LYS  54  22.904  -0.883  -9.886
  360    HB3  LYS 864           HB3      LYS  54  23.825  -1.987 -10.902
  361    HG2  LYS 864           HG2      LYS  54  20.921  -2.199 -10.185
  362    HG3  LYS 864           HG3      LYS  54  21.538  -1.564 -11.693
  363    HD2  LYS 864           HD2      LYS  54  22.289  -3.645 -12.487
  364    HD3  LYS 864           HD3      LYS  54  22.229  -4.421 -10.896
  365    HE2  LYS 864           HE2      LYS  54  19.829  -4.324 -10.820
  366    HE3  LYS 864           HE3      LYS  54  19.749  -3.332 -12.274
  367    HZ1  LYS 864           HZ1      LYS  54  20.690  -6.163 -12.235
  368    HZ2  LYS 864           HZ2      LYS  54  20.648  -5.208 -13.562
  369    HZ3  LYS 864           HZ3      LYS  54  19.255  -5.635 -12.835
  370    H    GLU 865           H        GLU  55  25.722  -2.940  -9.894
  371    HA   GLU 865           HA       GLU  55  27.214  -1.699  -7.758
  372    HB2  GLU 865           HB2      GLU  55  27.860  -2.162 -10.681
  373    HB3  GLU 865           HB3      GLU  55  29.010  -1.473  -9.533
  374    HG2  GLU 865           HG2      GLU  55  29.153  -3.530  -8.306
  375    HG3  GLU 865           HG3      GLU  55  27.757  -4.213  -9.137
  376    H    ASP 866           H        ASP  56  25.093  -0.414 -10.132
  377    HA   ASP 866           HA       ASP  56  26.569   2.146 -10.577
  378    HB2  ASP 866           HB2      ASP  56  25.449   0.968 -12.472
  379    HB3  ASP 866           HB3      ASP  56  23.902   1.112 -11.632
  380    H    HIS 867           H        HIS  57  23.712   0.812  -9.017
  381    HA   HIS 867           HA       HIS  57  22.467   3.081  -7.955
  382    HB2  HIS 867           HB2      HIS  57  21.191   1.184  -7.908
  383    HB3  HIS 867           HB3      HIS  57  22.557   0.102  -7.651
  384    HD2  HIS 867           HD2      HIS  57  23.394  -0.292  -5.222
  385    HE1  HIS 867           HE1      HIS  57  20.213   1.789  -3.274
  386    H    GLN 868           H        GLN  58  22.613   3.987  -5.954
  387    HA   GLN 868           HA       GLN  58  25.357   4.133  -4.857
  388    HB2  GLN 868           HB2      GLN  58  23.068   6.103  -4.844
  389    HB3  GLN 868           HB3      GLN  58  24.647   6.385  -4.098
  390    HG2  GLN 868           HG2      GLN  58  24.094   5.882  -7.068
  391    HG3  GLN 868           HG3      GLN  58  24.410   7.434  -6.304
  392   HE21  GLN 868          HE21      GLN  58  25.940   4.678  -7.840
  393   HE22  GLN 868          HE22      GLN  58  27.568   5.125  -7.361
  394    H    LEU 869           H        LEU  59  25.925   4.117  -2.672
  395    HA   LEU 869           HA       LEU  59  23.830   3.274  -0.730
  396    HB2  LEU 869           HB2      LEU  59  26.856   3.108  -0.529
  397    HB3  LEU 869           HB3      LEU  59  25.676   2.472   0.604
  398    HG   LEU 869           HG       LEU  59  26.605   0.698  -0.563
  399   HD11  LEU 869          HD11      LEU  59  24.210   0.483  -0.066
  400   HD12  LEU 869          HD12      LEU  59  24.653  -0.444  -1.510
  401   HD13  LEU 869          HD13      LEU  59  23.815   1.097  -1.705
  402   HD21  LEU 869          HD21      LEU  59  25.699   1.594  -3.288
  403   HD22  LEU 869          HD22      LEU  59  26.691   0.214  -2.830
  404   HD23  LEU 869          HD23      LEU  59  27.353   1.843  -2.647
  405    H    GLU 870           H        GLU  60  23.733   4.336   1.344
  406    HA   GLU 870           HA       GLU  60  25.120   6.987   1.537
  407    HB2  GLU 870           HB2      GLU  60  22.964   7.410   0.648
  408    HB3  GLU 870           HB3      GLU  60  22.179   6.368   1.810
  409    HG2  GLU 870           HG2      GLU  60  21.751   8.661   2.351
  410    HG3  GLU 870           HG3      GLU  60  22.737   7.942   3.612
  411    HA   PRO 871           HA       PRO  61  25.694   5.290   5.746
  412    HB2  PRO 871           HB2      PRO  61  27.684   6.912   6.555
  413    HB3  PRO 871           HB3      PRO  61  27.941   5.601   5.392
  414    HG2  PRO 871           HG2      PRO  61  27.630   8.553   4.849
  415    HG3  PRO 871           HG3      PRO  61  28.788   7.399   4.122
  416    HD2  PRO 871           HD2      PRO  61  26.376   8.186   2.969
  417    HD3  PRO 871           HD3      PRO  61  27.197   6.646   2.598
  418    H    ILE 872           H        ILE  62  23.827   5.786   6.762
  419    HA   ILE 872           HA       ILE  62  23.055   8.542   7.378
  420    HB   ILE 872           HB       ILE  62  21.728   5.899   8.035
  421   HG12  ILE 872          HG12      ILE  62  21.274   7.957   5.827
  422   HG13  ILE 872          HG13      ILE  62  21.857   6.302   5.635
  423   HG21  ILE 872          HG21      ILE  62  21.103   7.712   9.619
  424   HG22  ILE 872          HG22      ILE  62  19.761   7.214   8.622
  425   HG23  ILE 872          HG23      ILE  62  20.609   8.725   8.234
  426   HD11  ILE 872          HD11      ILE  62  19.659   5.445   6.449
  427   HD12  ILE 872          HD12      ILE  62  19.538   6.417   4.959
  428   HD13  ILE 872          HD13      ILE  62  19.053   7.123   6.492
  429    H    TYR 873           H        TYR  63  24.032   9.548   8.944
  430    HA   TYR 873           HA       TYR  63  25.109   8.198  11.335
  431    HB2  TYR 873           HB2      TYR  63  25.365  11.034  10.267
  432    HB3  TYR 873           HB3      TYR  63  26.156  10.366  11.691
  433    HD1  TYR 873           HD1      TYR  63  27.780  11.665   9.752
  434    HD2  TYR 873           HD2      TYR  63  26.355   7.613   9.751
  435    HE1  TYR 873           HE1      TYR  63  29.836  10.949   8.511
  436    HE2  TYR 873           HE2      TYR  63  28.456   6.856   8.646
  437    HH   TYR 873           HH       TYR  63  31.020   9.164   7.639
  438    H    ARG 874           H        ARG  64  22.234   8.703  11.125
  439    HA   ARG 874           HA       ARG  64  21.814   9.754  13.770
  440    HB2  ARG 874           HB2      ARG  64  20.443  11.629  13.354
  441    HB3  ARG 874           HB3      ARG  64  21.986  11.876  12.577
  442    HG2  ARG 874           HG2      ARG  64  19.339  11.185  11.244
  443    HG3  ARG 874           HG3      ARG  64  20.181  12.736  11.257
  444    HD2  ARG 874           HD2      ARG  64  21.217  10.269   9.863
  445    HD3  ARG 874           HD3      ARG  64  20.300  11.574   9.104
  446    HE   ARG 874           HE       ARG  64  22.603  12.608  10.509
  447   HH11  ARG 874          HH11      ARG  64  24.310  13.478   9.384
  448   HH12  ARG 874          HH12      ARG  64  24.492  13.145   7.690
  449   HH21  ARG 874          HH21      ARG  64  21.634  11.281   7.411
  450   HH22  ARG 874          HH22      ARG  64  23.034  11.917   6.601
  451    H1   ALA   1           H1       ALA  65  17.406  -3.892   4.851
  452    H2   ALA   1           H2       ALA  65  16.878  -2.708   3.842
  453    H3   ALA   1           H3       ALA  65  17.568  -4.085   3.239
  454    HA   ALA   1           HA       ALA  65  15.218  -4.160   2.922
  455    HB1  ALA   1           HB1      ALA  65  14.816  -6.311   4.373
  456    HB2  ALA   1           HB2      ALA  65  16.550  -6.160   4.740
  457    HB3  ALA   1           HB3      ALA  65  15.984  -6.303   3.056
  458    H    ARG   2           H        ARG  66  13.577  -2.713   3.591
  459    HA   ARG   2           HA       ARG  66  13.231  -2.003   6.383
  460    HB2  ARG   2           HB2      ARG  66  11.349  -1.862   3.989
  461    HB3  ARG   2           HB3      ARG  66  10.914  -1.305   5.603
  462    HG2  ARG   2           HG2      ARG  66  12.832   0.252   5.611
  463    HG3  ARG   2           HG3      ARG  66  13.268  -0.251   3.978
  464    HD2  ARG   2           HD2      ARG  66  12.041   1.815   3.820
  465    HD3  ARG   2           HD3      ARG  66  11.002   0.513   3.195
  466    HE   ARG   2           HE       ARG  66  10.556   0.963   6.032
  467   HH11  ARG   2          HH11      ARG  66   8.616   1.713   6.703
  468   HH12  ARG   2          HH12      ARG  66   7.676   2.768   5.649
  469   HH21  ARG   2          HH21      ARG  66   9.748   2.529   2.974
  470   HH22  ARG   2          HH22      ARG  66   8.249   3.158   3.645
  471    H    THR   3           H        THR  67  12.580  -3.229   8.000
  472    HA   THR   3           HA       THR  67  10.746  -5.538   7.574
  473    HB   THR   3           HB       THR  67  11.069  -5.982   9.963
  474    HG1  THR   3           HG1      THR  67  12.546  -4.798  11.102
  475   HG21  THR   3          HG21      THR  67  13.734  -5.561   8.525
  476   HG22  THR   3          HG22      THR  67  12.669  -6.968   8.286
  477   HG23  THR   3          HG23      THR  67  13.417  -6.676   9.869
  478    H    LYS   4           H        LYS  68  10.821  -2.287   8.990
  479    HA   LYS   4           HA       LYS  68   7.876  -2.318   9.498
  480    HB2  LYS   4           HB2      LYS  68  10.047  -0.243  10.006
  481    HB3  LYS   4           HB3      LYS  68   8.319   0.040  10.262
  482    HG2  LYS   4           HG2      LYS  68   8.227  -1.878  11.841
  483    HG3  LYS   4           HG3      LYS  68   9.978  -2.105  11.658
  484    HD2  LYS   4           HD2      LYS  68  10.360   0.207  12.493
  485    HD3  LYS   4           HD3      LYS  68   8.609   0.430  12.680
  486    HE2  LYS   4           HE2      LYS  68   8.491  -1.363  14.335
  487    HE3  LYS   4           HE3      LYS  68  10.191  -1.779  14.077
  488    HZ1  LYS   4           HZ1      LYS  68   9.267   0.840  15.159
  489    HZ2  LYS   4           HZ2      LYS  68  10.834   0.380  14.947
  490    HZ3  LYS   4           HZ3      LYS  68   9.887  -0.374  16.059
  491    H    GLN   5           H        GLN  69   7.302  -2.722   7.295
  492    HA   GLN   5           HA       GLN  69   7.956  -0.827   5.186
  493    HB2  GLN   5           HB2      GLN  69   6.137  -3.228   5.452
  494    HB3  GLN   5           HB3      GLN  69   5.967  -2.172   4.058
  495    HG2  GLN   5           HG2      GLN  69   8.643  -3.409   4.838
  496    HG3  GLN   5           HG3      GLN  69   7.484  -4.191   3.768
  497   HE21  GLN   5          HE21      GLN  69   9.397  -4.064   2.215
  498   HE22  GLN   5          HE22      GLN  69   9.505  -2.579   1.261
  499    H    THR   6           H        THR  70   6.572   0.506   4.027
  500    HA   THR   6           HA       THR  70   4.522   1.973   5.564
  501    HB   THR   6           HB       THR  70   5.676   2.326   2.777
  502    HG1  THR   6           HG1      THR  70   5.913   4.122   4.927
  503   HG21  THR   6          HG21      THR  70   3.721   4.119   4.279
  504   HG22  THR   6          HG22      THR  70   3.471   3.333   2.703
  505   HG23  THR   6          HG23      THR  70   4.672   4.612   2.857
  506    H    ALA   7           H        ALA  71   2.305   1.914   5.185
  507    HA   ALA   7           HA       ALA  71   1.190  -0.438   4.006
  508    HB1  ALA   7           HB1      ALA  71  -0.148   2.170   4.843
  509    HB2  ALA   7           HB2      ALA  71   0.167   0.777   5.899
  510    HB3  ALA   7           HB3      ALA  71  -0.971   0.623   4.549
  511    H    ARG   8           H        ARG  72   0.031  -0.799   2.122
  512    HA   ARG   8           HA       ARG  72   0.788   0.825  -0.190
  513    HB2  ARG   8           HB2      ARG  72  -0.938  -1.679   0.040
  514    HB3  ARG   8           HB3      ARG  72  -0.435  -0.927  -1.479
  515    HG2  ARG   8           HG2      ARG  72   1.967  -1.228  -0.806
  516    HG3  ARG   8           HG3      ARG  72   1.424  -2.115   0.627
  517    HD2  ARG   8           HD2      ARG  72   0.285  -3.768  -0.822
  518    HD3  ARG   8           HD3      ARG  72   0.836  -2.916  -2.261
  519    HE   ARG   8           HE       ARG  72   2.377  -4.693  -0.521
  520   HH11  ARG   8          HH11      ARG  72   4.481  -5.243  -1.081
  521   HH12  ARG   8          HH12      ARG  72   5.323  -4.313  -2.308
  522   HH21  ARG   8          HH21      ARG  72   2.790  -2.144  -2.930
  523   HH22  ARG   8          HH22      ARG  72   4.456  -2.620  -3.230
  524    H    LYS   9           H        LYS  73  -2.036   0.777   1.803
  525    HA   LYS   9           HA       LYS  73  -3.930   1.886  -0.059
  526    HB2  LYS   9           HB2      LYS  73  -4.496   0.747   2.104
  527    HB3  LYS   9           HB3      LYS  73  -3.792   2.100   2.981
  528    HG2  LYS   9           HG2      LYS  73  -6.179   2.290   3.019
  529    HG3  LYS   9           HG3      LYS  73  -5.541   3.607   2.046
  530    HD2  LYS   9           HD2      LYS  73  -6.161   2.362  -0.032
  531    HD3  LYS   9           HD3      LYS  73  -6.764   1.021   0.968
  532    HE2  LYS   9           HE2      LYS  73  -8.396   2.571   2.038
  533    HE3  LYS   9           HE3      LYS  73  -7.798   3.899   1.033
  534    HZ1  LYS   9           HZ1      LYS  73  -9.802   2.894   0.079
  535    HZ2  LYS   9           HZ2      LYS  73  -9.089   1.429  -0.018
  536    HZ3  LYS   9           HZ3      LYS  73  -8.546   2.670  -0.936
  537    H    SER  10           H        SER  74  -4.527   3.996  -0.494
  538    HA   SER  10           HA       SER  74  -2.507   6.045  -0.370
  539    HB2  SER  10           HB2      SER  74  -4.178   7.408  -1.532
  540    HB3  SER  10           HB3      SER  74  -4.035   5.802  -2.258
  541    HG   SER  10           HG       SER  74  -6.235   6.431  -1.979
  542    H    THR  11           H        THR  75  -2.923   8.281   0.392
  543    HA   THR  11           HA       THR  75  -3.590   8.338   3.212
  544    HB   THR  11           HB       THR  75  -3.004  10.760   3.010
  545    HG1  THR  11           HG1      THR  75  -3.553  11.230   0.904
  546   HG21  THR  11          HG21      THR  75  -0.641  10.425   2.535
  547   HG22  THR  11          HG22      THR  75  -0.975   8.880   1.727
  548   HG23  THR  11          HG23      THR  75  -1.271   9.060   3.470
  549    H    GLY  12           H        GLY  76  -5.582   8.734   0.465
  550    HA2  GLY  12           HA2      GLY  76  -7.807   9.325   0.213
  551    HA3  GLY  12           HA3      GLY  76  -7.942   9.410   1.971
  Start of MODEL    5
    1    H1   GLY 811           H1       GLY   1  21.805  10.654  20.900
    2    H2   GLY 811           H2       GLY   1  20.786   9.519  21.489
    3    H3   GLY 811           H3       GLY   1  20.672   9.972  19.925
    4    HA2  GLY 811           HA2      GLY   1  22.946   8.521  21.153
    5    HA3  GLY 811           HA3      GLY   1  21.729   7.802  20.094
    6    HA   PRO 812           HA       PRO   2  24.897  10.050  17.289
    7    HB2  PRO 812           HB2      PRO   2  27.438  10.192  18.167
    8    HB3  PRO 812           HB3      PRO   2  26.199  11.190  18.954
    9    HG2  PRO 812           HG2      PRO   2  27.256   8.602  19.891
   10    HG3  PRO 812           HG3      PRO   2  27.096  10.118  20.821
   11    HD2  PRO 812           HD2      PRO   2  25.204   8.072  20.842
   12    HD3  PRO 812           HD3      PRO   2  24.819   9.798  21.130
   13    H    LEU 813           H        LEU   3  27.194   9.251  16.292
   14    HA   LEU 813           HA       LEU   3  26.694   6.769  15.069
   15    HB2  LEU 813           HB2      LEU   3  29.322   8.286  15.392
   16    HB3  LEU 813           HB3      LEU   3  29.130   6.855  14.404
   17    HG   LEU 813           HG       LEU   3  27.461   8.097  13.008
   18   HD11  LEU 813          HD11      LEU   3  27.714  10.628  13.074
   19   HD12  LEU 813          HD12      LEU   3  28.429  10.447  14.683
   20   HD13  LEU 813          HD13      LEU   3  26.742   9.932  14.370
   21   HD21  LEU 813          HD21      LEU   3  29.762   7.746  12.334
   22   HD22  LEU 813          HD22      LEU   3  30.270   9.212  13.214
   23   HD23  LEU 813          HD23      LEU   3  29.192   9.332  11.804
   24    H    GLY 814           H        GLY   4  27.594   4.719  15.305
   25    HA2  GLY 814           HA2      GLY   4  28.483   2.871  16.415
   26    HA3  GLY 814           HA3      GLY   4  29.284   3.946  17.566
   27    H    SER 815           H        SER   5  26.163   5.001  17.755
   28    HA   SER 815           HA       SER   5  25.092   2.806  19.462
   29    HB2  SER 815           HB2      SER   5  24.664   5.735  20.033
   30    HB3  SER 815           HB3      SER   5  24.332   4.370  21.097
   31    HG   SER 815           HG       SER   5  26.220   5.410  21.812
   32    H    VAL 816           H        VAL   6  24.635   4.740  16.761
   33    HA   VAL 816           HA       VAL   6  21.795   5.208  16.973
   34    HB   VAL 816           HB       VAL   6  23.994   5.688  15.146
   35   HG11  VAL 816          HG11      VAL   6  22.737   5.979  13.117
   36   HG12  VAL 816          HG12      VAL   6  21.283   5.260  13.865
   37   HG13  VAL 816          HG13      VAL   6  22.741   4.253  13.571
   38   HG21  VAL 816          HG21      VAL   6  21.345   7.015  15.564
   39   HG22  VAL 816          HG22      VAL   6  22.817   7.662  14.780
   40   HG23  VAL 816          HG23      VAL   6  22.865   7.283  16.495
   41    H    GLN 817           H        GLN   7  20.165   4.031  15.876
   42    HA   GLN 817           HA       GLN   7  20.724   1.244  15.121
   43    HB2  GLN 817           HB2      GLN   7  19.327   0.375  17.061
   44    HB3  GLN 817           HB3      GLN   7  20.995   0.851  17.354
   45    HG2  GLN 817           HG2      GLN   7  20.353   2.991  18.314
   46    HG3  GLN 817           HG3      GLN   7  18.674   2.685  18.024
   47   HE21  GLN 817          HE21      GLN   7  19.408   3.387  20.516
   48   HE22  GLN 817          HE22      GLN   7  19.575   2.019  21.604
   49    H    HIS 818           H        HIS   8  19.664   1.167  13.392
   50    HA   HIS 818           HA       HIS   8  17.082   2.490  13.038
   51    HB2  HIS 818           HB2      HIS   8  18.938   0.913  11.228
   52    HB3  HIS 818           HB3      HIS   8  17.357   1.521  10.724
   53    HD2  HIS 818           HD2      HIS   8  20.716   2.995  12.085
   54    HE1  HIS 818           HE1      HIS   8  18.459   6.189  10.392
   55    HE2  HIS 818           HE2      HIS   8  20.656   5.569  11.487
   56    H    VAL 819           H        VAL   9  16.510   1.001  14.972
   57    HA   VAL 819           HA       VAL   9  15.485  -1.609  14.768
   58    HB   VAL 819           HB       VAL   9  14.397   0.772  16.262
   59   HG11  VAL 819          HG11      VAL   9  13.423  -0.931  17.771
   60   HG12  VAL 819          HG12      VAL   9  13.969  -2.225  16.681
   61   HG13  VAL 819          HG13      VAL   9  12.718  -1.063  16.155
   62   HG21  VAL 819          HG21      VAL   9  16.328  -1.447  17.088
   63   HG22  VAL 819          HG22      VAL   9  15.634  -0.221  18.169
   64   HG23  VAL 819          HG23      VAL   9  16.729   0.277  16.887
   65    H    GLY 820           H        GLY  10  14.462  -2.376  13.055
   66    HA2  GLY 820           HA2      GLY  10  12.394  -2.561  11.789
   67    HA3  GLY 820           HA3      GLY  10  12.277  -0.809  11.729
   68    H    PHE 821           H        PHE  11  15.565  -1.718  11.082
   69    HA   PHE 821           HA       PHE  11  15.008  -2.125   8.166
   70    HB2  PHE 821           HB2      PHE  11  16.920  -0.071   9.285
   71    HB3  PHE 821           HB3      PHE  11  16.771  -0.510   7.597
   72    HD1  PHE 821           HD1      PHE  11  15.100   0.468   6.185
   73    HD2  PHE 821           HD2      PHE  11  15.044   1.161  10.443
   74    HE1  PHE 821           HE1      PHE  11  13.453   2.303   5.871
   75    HE2  PHE 821           HE2      PHE  11  13.390   2.992  10.122
   76    HZ   PHE 821           HZ       PHE  11  12.597   3.562   7.833
   77    H    LYS 822           H        LYS  12  15.863  -4.080   7.810
   78    HA   LYS 822           HA       LYS  12  18.116  -5.126   9.251
   79    HB2  LYS 822           HB2      LYS  12  16.193  -6.484   8.580
   80    HB3  LYS 822           HB3      LYS  12  16.479  -6.103   6.896
   81    HG2  LYS 822           HG2      LYS  12  18.775  -7.301   7.266
   82    HG3  LYS 822           HG3      LYS  12  18.052  -8.001   8.684
   83    HD2  LYS 822           HD2      LYS  12  16.872  -8.103   5.897
   84    HD3  LYS 822           HD3      LYS  12  18.002  -9.323   6.476
   85    HE2  LYS 822           HE2      LYS  12  16.553  -9.889   8.314
   86    HE3  LYS 822           HE3      LYS  12  15.336  -8.690   7.832
   87    HZ1  LYS 822           HZ1      LYS  12  14.731 -10.911   7.030
   88    HZ2  LYS 822           HZ2      LYS  12  16.132 -11.084   6.218
   89    HZ3  LYS 822           HZ3      LYS  12  15.036  -9.964   5.740
   90    H    CYS 823           H        CYS  13  20.233  -5.640   8.477
   91    HA   CYS 823           HA       CYS  13  21.327  -4.381   6.059
   92    HB2  CYS 823           HB2      CYS  13  22.799  -4.655   8.001
   93    HB3  CYS 823           HB3      CYS  13  22.407  -6.370   8.082
   94    H    ASP 824           H        ASP  14  20.807  -5.305   4.019
   95    HA   ASP 824           HA       ASP  14  19.776  -7.981   3.789
   96    HB2  ASP 824           HB2      ASP  14  20.983  -6.191   1.657
   97    HB3  ASP 824           HB3      ASP  14  20.061  -7.658   1.346
   98    H    ASN 825           H        ASN  15  23.046  -6.979   4.112
   99    HA   ASN 825           HA       ASN  15  24.170  -9.136   2.431
  100    HB2  ASN 825           HB2      ASN  15  25.193  -6.893   2.399
  101    HB3  ASN 825           HB3      ASN  15  25.503  -7.026   4.135
  102   HD21  ASN 825          HD21      ASN  15  27.556  -7.436   4.535
  103   HD22  ASN 825          HD22      ASN  15  28.558  -8.570   3.624
  104    H    CYS 826           H        CYS  16  24.260  -8.296   5.972
  105    HA   CYS 826           HA       CYS  16  24.956 -11.139   6.524
  106    HB2  CYS 826           HB2      CYS  16  25.983 -10.436   8.525
  107    HB3  CYS 826           HB3      CYS  16  26.608  -9.449   7.219
  108    H    GLY 827           H        GLY  17  22.262  -9.051   6.688
  109    HA2  GLY 827           HA2      GLY  17  20.149  -9.535   7.260
  110    HA3  GLY 827           HA3      GLY  17  20.604 -11.091   7.837
  111    H    ILE 828           H        ILE  18  22.294  -8.428   9.449
  112    HA   ILE 828           HA       ILE  18  20.802  -8.769  11.920
  113    HB   ILE 828           HB       ILE  18  23.015  -7.946  12.163
  114   HG12  ILE 828          HG12      ILE  18  21.364  -5.451  12.680
  115   HG13  ILE 828          HG13      ILE  18  20.988  -6.932  13.525
  116   HG21  ILE 828          HG21      ILE  18  23.324  -6.774   9.970
  117   HG22  ILE 828          HG22      ILE  18  23.906  -5.838  11.327
  118   HG23  ILE 828          HG23      ILE  18  22.353  -5.425  10.560
  119   HD11  ILE 828          HD11      ILE  18  23.671  -5.499  13.619
  120   HD12  ILE 828          HD12      ILE  18  23.291  -7.038  14.438
  121   HD13  ILE 828          HD13      ILE  18  22.438  -5.548  14.897
  122    H    GLU 829           H        GLU  19  18.878  -8.468  12.092
  123    HA   GLU 829           HA       GLU  19  17.310  -7.005  10.390
  124    HB2  GLU 829           HB2      GLU  19  15.454  -7.428  12.096
  125    HB3  GLU 829           HB3      GLU  19  16.138  -8.702  11.128
  126    HG2  GLU 829           HG2      GLU  19  17.066  -8.186  13.989
  127    HG3  GLU 829           HG3      GLU  19  15.652  -9.162  13.618
  128    HA   PRO 830           HA       PRO  20  17.562  -3.127  11.676
  129    HB2  PRO 830           HB2      PRO  20  17.460  -2.101  14.008
  130    HB3  PRO 830           HB3      PRO  20  16.157  -3.268  13.527
  131    HG2  PRO 830           HG2      PRO  20  18.591  -3.746  15.214
  132    HG3  PRO 830           HG3      PRO  20  16.924  -4.267  15.541
  133    HD2  PRO 830           HD2      PRO  20  18.947  -5.806  14.279
  134    HD3  PRO 830           HD3      PRO  20  17.192  -6.091  14.119
  135    H    ILE 831           H        ILE  21  19.168  -1.918  10.933
  136    HA   ILE 831           HA       ILE  21  21.852  -2.622  11.603
  137    HB   ILE 831           HB       ILE  21  20.696  -0.406   9.914
  138   HG12  ILE 831          HG12      ILE  21  22.275  -2.747   8.868
  139   HG13  ILE 831          HG13      ILE  21  20.649  -3.120   9.451
  140   HG21  ILE 831          HG21      ILE  21  23.075  -0.381   8.966
  141   HG22  ILE 831          HG22      ILE  21  23.587  -1.232  10.426
  142   HG23  ILE 831          HG23      ILE  21  22.868   0.382  10.550
  143   HD11  ILE 831          HD11      ILE  21  19.710  -1.387   7.929
  144   HD12  ILE 831          HD12      ILE  21  20.697  -2.551   7.018
  145   HD13  ILE 831          HD13      ILE  21  21.353  -0.967   7.406
  146    H    GLN 832           H        GLN  22  22.763  -2.210  13.479
  147    HA   GLN 832           HA       GLN  22  22.501   0.394  14.750
  148    HB2  GLN 832           HB2      GLN  22  24.044  -2.007  15.753
  149    HB3  GLN 832           HB3      GLN  22  23.561  -0.554  16.642
  150    HG2  GLN 832           HG2      GLN  22  21.078  -1.358  15.813
  151    HG3  GLN 832           HG3      GLN  22  21.884  -2.906  15.744
  152   HE21  GLN 832          HE21      GLN  22  19.669  -2.066  17.533
  153   HE22  GLN 832          HE22      GLN  22  20.308  -2.199  19.157
  154    H    GLY 833           H        GLY  23  24.305   1.477  15.676
  155    HA2  GLY 833           HA2      GLY  23  26.197   2.753  15.572
  156    HA3  GLY 833           HA3      GLY  23  26.877   1.806  14.300
  157    H    VAL 834           H        VAL  24  25.790   2.052  12.141
  158    HA   VAL 834           HA       VAL  24  24.328   4.541  11.612
  159    HB   VAL 834           HB       VAL  24  25.742   5.164   9.747
  160   HG11  VAL 834          HG11      VAL  24  27.378   5.095  12.300
  161   HG12  VAL 834          HG12      VAL  24  26.065   6.245  11.935
  162   HG13  VAL 834          HG13      VAL  24  27.554   6.220  10.957
  163   HG21  VAL 834          HG21      VAL  24  28.043   4.430   9.446
  164   HG22  VAL 834          HG22      VAL  24  26.887   3.158   9.088
  165   HG23  VAL 834          HG23      VAL  24  27.776   3.154  10.648
  166    H    ARG 835           H        ARG  25  22.890   4.288   9.863
  167    HA   ARG 835           HA       ARG  25  22.875   1.612   8.539
  168    HB2  ARG 835           HB2      ARG  25  20.796   2.216   9.431
  169    HB3  ARG 835           HB3      ARG  25  20.773   3.785   8.607
  170    HG2  ARG 835           HG2      ARG  25  20.391   2.759   6.469
  171    HG3  ARG 835           HG3      ARG  25  20.879   1.173   7.065
  172    HD2  ARG 835           HD2      ARG  25  18.503   1.098   6.869
  173    HD3  ARG 835           HD3      ARG  25  18.898   1.127   8.568
  174    HE   ARG 835           HE       ARG  25  18.011   3.299   8.786
  175   HH11  ARG 835          HH11      ARG  25  16.522   4.778   8.321
  176   HH12  ARG 835          HH12      ARG  25  15.942   4.996   6.697
  177   HH21  ARG 835          HH21      ARG  25  17.790   2.394   5.342
  178   HH22  ARG 835          HH22      ARG  25  16.642   3.671   5.060
  179    H    TRP 836           H        TRP  26  23.467   1.156   6.546
  180    HA   TRP 836           HA       TRP  26  24.355   3.379   4.765
  181    HB2  TRP 836           HB2      TRP  26  25.157   0.551   5.313
  182    HB3  TRP 836           HB3      TRP  26  25.420   1.109   3.757
  183    HD1  TRP 836           HD1      TRP  26  26.838   0.967   7.085
  184    HE1  TRP 836           HE1      TRP  26  29.165   2.078   7.114
  185    HE3  TRP 836           HE3      TRP  26  26.435   3.795   2.850
  186    HZ2  TRP 836           HZ2      TRP  26  30.556   4.123   5.626
  187    HZ3  TRP 836           HZ3      TRP  26  28.307   5.262   2.130
  188    HH2  TRP 836           HH2      TRP  26  30.355   5.449   3.519
  189    H    HIS 837           H        HIS  27  22.353   3.970   3.833
  190    HA   HIS 837           HA       HIS  27  20.418   1.991   2.842
  191    HB2  HIS 837           HB2      HIS  27  19.492   3.927   3.757
  192    HB3  HIS 837           HB3      HIS  27  20.632   4.991   2.953
  193    HD2  HIS 837           HD2      HIS  27  19.584   6.402   1.129
  194    HE1  HIS 837           HE1      HIS  27  16.422   3.827  -0.112
  195    HE2  HIS 837           HE2      HIS  27  17.488   6.116  -0.437
  196    H    CYS 838           H        CYS  28  19.962   1.326   0.758
  197    HA   CYS 838           HA       CYS  28  21.880   1.885  -1.377
  198    HB2  CYS 838           HB2      CYS  28  19.797  -0.106  -0.733
  199    HB3  CYS 838           HB3      CYS  28  19.696   0.419  -2.370
  200    H    GLN 839           H        GLN  29  21.715   3.915  -2.082
  201    HA   GLN 839           HA       GLN  29  19.395   5.544  -2.108
  202    HB2  GLN 839           HB2      GLN  29  22.167   5.694  -3.291
  203    HB3  GLN 839           HB3      GLN  29  21.094   6.926  -3.729
  204    HG2  GLN 839           HG2      GLN  29  21.558   6.218  -0.803
  205    HG3  GLN 839           HG3      GLN  29  22.602   7.294  -1.728
  206   HE21  GLN 839          HE21      GLN  29  20.433   9.913  -0.568
  207   HE22  GLN 839          HE22      GLN  29  22.050   9.235  -0.425
  208    H    ASP 840           H        ASP  30  19.680   3.030  -4.094
  209    HA   ASP 840           HA       ASP  30  18.513   4.405  -6.455
  210    HB2  ASP 840           HB2      ASP  30  21.039   3.528  -6.430
  211    HB3  ASP 840           HB3      ASP  30  20.304   2.049  -6.926
  212    H    CYS 841           H        CYS  31  18.480   1.448  -4.416
  213    HA   CYS 841           HA       CYS  31  16.553   0.055  -5.981
  214    HB2  CYS 841           HB2      CYS  31  16.655  -0.123  -3.020
  215    HB3  CYS 841           HB3      CYS  31  16.263  -1.349  -4.122
  216    HA   PRO 842           HA       PRO  32  12.824   2.375  -4.774
  217    HB2  PRO 842           HB2      PRO  32  10.904   0.641  -5.596
  218    HB3  PRO 842           HB3      PRO  32  12.141   1.217  -6.751
  219    HG2  PRO 842           HG2      PRO  32  12.183  -1.312  -5.072
  220    HG3  PRO 842           HG3      PRO  32  12.326  -1.231  -6.842
  221    HD2  PRO 842           HD2      PRO  32  14.559  -1.290  -5.329
  222    HD3  PRO 842           HD3      PRO  32  14.472  -0.243  -6.762
  223    HA   PRO 843           HA       PRO  33  11.435   1.247  -0.701
  224    HB2  PRO 843           HB2      PRO  33   8.548   0.939  -1.340
  225    HB3  PRO 843           HB3      PRO  33   9.350   2.120  -0.265
  226    HG2  PRO 843           HG2      PRO  33   8.284   2.763  -2.701
  227    HG3  PRO 843           HG3      PRO  33   9.735   3.605  -2.037
  228    HD2  PRO 843           HD2      PRO  33   9.570   1.399  -4.089
  229    HD3  PRO 843           HD3      PRO  33  10.629   2.848  -4.065
  230    H    GLU 844           H        GLU  34  10.245  -0.922  -3.231
  231    HA   GLU 844           HA       GLU  34   9.013  -2.830  -1.451
  232    HB2  GLU 844           HB2      GLU  34   8.754  -2.148  -4.091
  233    HB3  GLU 844           HB3      GLU  34   9.788  -3.557  -4.284
  234    HG2  GLU 844           HG2      GLU  34   8.199  -4.872  -2.876
  235    HG3  GLU 844           HG3      GLU  34   7.144  -3.459  -2.783
  236    H    MET 845           H        MET  35  12.064  -2.292  -2.705
  237    HA   MET 845           HA       MET  35  13.388  -4.876  -2.116
  238    HB2  MET 845           HB2      MET  35  12.670  -4.423  -4.477
  239    HB3  MET 845           HB3      MET  35  13.455  -2.885  -4.427
  240    HG2  MET 845           HG2      MET  35  15.385  -3.799  -5.110
  241    HG3  MET 845           HG3      MET  35  15.341  -4.807  -3.690
  242    HE1  MET 845           HE1      MET  35  14.643  -7.306  -3.572
  243    HE2  MET 845           HE2      MET  35  13.799  -8.173  -4.878
  244    HE3  MET 845           HE3      MET  35  12.985  -6.841  -4.029
  245    H    SER 846           H        SER  36  13.124  -2.547  -0.426
  246    HA   SER 846           HA       SER  36  15.137  -0.548  -0.913
  247    HB2  SER 846           HB2      SER  36  14.393   0.225   1.402
  248    HB3  SER 846           HB3      SER  36  13.153   0.116   0.142
  249    HG   SER 846           HG       SER  36  12.151  -1.382   1.261
  250    H    LEU 847           H        LEU  37  17.014  -2.000  -1.118
  251    HA   LEU 847           HA       LEU  37  18.046  -3.363   1.084
  252    HB2  LEU 847           HB2      LEU  37  19.341  -2.202  -1.345
  253    HB3  LEU 847           HB3      LEU  37  20.363  -2.630  -0.000
  254    HG   LEU 847           HG       LEU  37  18.888  -4.901  -0.181
  255   HD11  LEU 847          HD11      LEU  37  19.289  -3.886  -2.950
  256   HD12  LEU 847          HD12      LEU  37  17.716  -4.191  -2.161
  257   HD13  LEU 847          HD13      LEU  37  18.802  -5.551  -2.526
  258   HD21  LEU 847          HD21      LEU  37  20.867  -5.846  -1.371
  259   HD22  LEU 847          HD22      LEU  37  21.339  -4.753  -0.050
  260   HD23  LEU 847          HD23      LEU  37  21.391  -4.181  -1.716
  261    H    ASP 848           H        ASP  38  19.522  -3.035   2.521
  262    HA   ASP 848           HA       ASP  38  20.768  -0.454   3.026
  263    HB2  ASP 848           HB2      ASP  38  19.301  -1.886   5.259
  264    HB3  ASP 848           HB3      ASP  38  20.309  -0.441   5.390
  265    H    PHE 849           H        PHE  39  22.708  -0.728   4.170
  266    HA   PHE 849           HA       PHE  39  23.503  -3.477   4.936
  267    HB2  PHE 849           HB2      PHE  39  25.282  -1.369   3.717
  268    HB3  PHE 849           HB3      PHE  39  25.799  -2.933   4.323
  269    HD1  PHE 849           HD1      PHE  39  25.844  -1.464   1.418
  270    HD2  PHE 849           HD2      PHE  39  23.660  -4.753   3.170
  271    HE1  PHE 849           HE1      PHE  39  25.540  -2.477  -0.826
  272    HE2  PHE 849           HE2      PHE  39  23.345  -5.734   0.913
  273    HZ   PHE 849           HZ       PHE  39  24.286  -4.600  -1.081
  274    H    CYS 850           H        CYS  40  25.053  -3.599   6.653
  275    HA   CYS 850           HA       CYS  40  24.911  -1.292   8.489
  276    HB2  CYS 850           HB2      CYS  40  25.717  -2.871  10.220
  277    HB3  CYS 850           HB3      CYS  40  24.228  -3.443   9.470
  278    H    ASP 851           H        ASP  41  26.999  -0.757   9.687
  279    HA   ASP 851           HA       ASP  41  28.858   0.004   7.639
  280    HB2  ASP 851           HB2      ASP  41  28.330   1.349   9.550
  281    HB3  ASP 851           HB3      ASP  41  29.084   0.243  10.665
  282    H    SER 852           H        SER  42  28.687  -2.895   9.407
  283    HA   SER 852           HA       SER  42  31.438  -3.834   9.002
  284    HB2  SER 852           HB2      SER  42  28.772  -5.273   9.322
  285    HB3  SER 852           HB3      SER  42  30.301  -6.084   9.339
  286    HG   SER 852           HG       SER  42  30.852  -4.936  11.276
  287    H    CYS 853           H        CYS  43  28.503  -3.575   7.114
  288    HA   CYS 853           HA       CYS  43  29.389  -5.553   5.132
  289    HB2  CYS 853           HB2      CYS  43  26.686  -4.631   6.109
  290    HB3  CYS 853           HB3      CYS  43  26.884  -5.501   4.585
  291    H    SER 854           H        SER  44  29.001  -2.045   5.254
  292    HA   SER 854           HA       SER  44  27.759  -1.677   2.758
  293    HB2  SER 854           HB2      SER  44  28.566   0.653   2.952
  294    HB3  SER 854           HB3      SER  44  27.795  -0.029   4.383
  295    HG   SER 854           HG       SER  44  29.908   1.146   4.714
  296    H    ASP 855           H        ASP  45  30.985  -2.768   3.129
  297    HA   ASP 855           HA       ASP  45  32.049  -1.752   0.640
  298    HB2  ASP 855           HB2      ASP  45  33.347  -2.819   2.540
  299    HB3  ASP 855           HB3      ASP  45  32.652  -4.372   2.082
  300    H    CYS 856           H        CYS  46  29.388  -3.784   1.240
  301    HA   CYS 856           HA       CYS  46  29.644  -5.618  -0.989
  302    HB2  CYS 856           HB2      CYS  46  28.350  -6.156   0.996
  303    HB3  CYS 856           HB3      CYS  46  27.255  -4.789   0.702
  304    HG   CYS 856           HG       CYS  46  27.740  -7.634  -0.946
  305    H    LEU 857           H        LEU  47  28.689  -5.607  -2.912
  306    HA   LEU 857           HA       LEU  47  27.097  -3.369  -3.972
  307    HB2  LEU 857           HB2      LEU  47  29.567  -2.677  -4.042
  308    HB3  LEU 857           HB3      LEU  47  29.779  -3.955  -5.244
  309    HG   LEU 857           HG       LEU  47  27.912  -2.838  -6.569
  310   HD11  LEU 857          HD11      LEU  47  28.388  -0.557  -4.612
  311   HD12  LEU 857          HD12      LEU  47  26.859  -1.432  -4.860
  312   HD13  LEU 857          HD13      LEU  47  27.508  -0.421  -6.150
  313   HD21  LEU 857          HD21      LEU  47  30.420  -1.198  -6.008
  314   HD22  LEU 857          HD22      LEU  47  29.401  -1.055  -7.458
  315   HD23  LEU 857          HD23      LEU  47  30.297  -2.551  -7.147
  316    H    HIS 858           H        HIS  48  25.949  -5.515  -3.629
  317    HA   HIS 858           HA       HIS  48  26.221  -7.625  -5.633
  318    HB2  HIS 858           HB2      HIS  48  25.415  -7.909  -3.239
  319    HB3  HIS 858           HB3      HIS  48  23.990  -6.998  -3.648
  320    HD2  HIS 858           HD2      HIS  48  22.113  -8.769  -3.493
  321    HE1  HIS 858           HE1      HIS  48  23.850 -11.856  -5.878
  322    HE2  HIS 858           HE2      HIS  48  21.773 -11.145  -4.594
  323    H    GLU 859           H        GLU  49  24.309  -8.402  -6.803
  324    HA   GLU 859           HA       GLU  49  22.735  -6.266  -8.016
  325    HB2  GLU 859           HB2      GLU  49  24.138  -8.356  -9.702
  326    HB3  GLU 859           HB3      GLU  49  23.176  -6.977 -10.149
  327    HG2  GLU 859           HG2      GLU  49  25.067  -5.521  -9.033
  328    HG3  GLU 859           HG3      GLU  49  26.018  -6.994  -9.171
  329    H    THR 860           H        THR  50  20.691  -6.793  -8.228
  330    HA   THR 860           HA       THR  50  19.712  -9.620  -8.230
  331    HB   THR 860           HB       THR  50  17.855  -9.027  -6.901
  332    HG1  THR 860           HG1      THR  50  17.408  -6.976  -6.228
  333   HG21  THR 860          HG21      THR  50  18.750  -8.307  -4.752
  334   HG22  THR 860          HG22      THR  50  20.223  -7.702  -5.519
  335   HG23  THR 860          HG23      THR  50  19.864  -9.438  -5.530
  336    H    ASP 861           H        ASP  51  16.960  -8.761  -8.750
  337    HA   ASP 861           HA       ASP  51  17.036  -8.146 -11.576
  338    HB2  ASP 861           HB2      ASP  51  14.776  -7.998  -9.545
  339    HB3  ASP 861           HB3      ASP  51  14.578  -7.842 -11.290
  340    H    ILE 862           H        ILE  52  17.172  -6.127  -8.740
  341    HA   ILE 862           HA       ILE  52  16.732  -3.639 -10.344
  342    HB   ILE 862           HB       ILE  52  15.647  -4.211  -7.560
  343   HG12  ILE 862          HG12      ILE  52  14.344  -4.171 -10.284
  344   HG13  ILE 862          HG13      ILE  52  14.339  -5.455  -9.092
  345   HG21  ILE 862          HG21      ILE  52  16.235  -1.931  -7.597
  346   HG22  ILE 862          HG22      ILE  52  14.533  -1.924  -8.037
  347   HG23  ILE 862          HG23      ILE  52  15.767  -1.741  -9.299
  348   HD11  ILE 862          HD11      ILE  52  12.941  -4.010  -7.572
  349   HD12  ILE 862          HD12      ILE  52  12.169  -4.561  -9.075
  350   HD13  ILE 862          HD13      ILE  52  12.738  -2.890  -8.950
  351    H    HIS 863           H        HIS  53  18.193  -5.035  -7.371
  352    HA   HIS 863           HA       HIS  53  19.838  -2.666  -6.906
  353    HB2  HIS 863           HB2      HIS  53  19.070  -4.063  -5.094
  354    HB3  HIS 863           HB3      HIS  53  19.824  -5.477  -5.771
  355    HD2  HIS 863           HD2      HIS  53  21.965  -6.152  -4.618
  356    HE1  HIS 863           HE1      HIS  53  23.478  -2.348  -3.504
  357    H    LYS 864           H        LYS  54  22.063  -2.501  -7.556
  358    HA   LYS 864           HA       LYS  54  23.223  -4.379  -9.496
  359    HB2  LYS 864           HB2      LYS  54  22.528  -1.507 -10.237
  360    HB3  LYS 864           HB3      LYS  54  23.412  -2.635 -11.257
  361    HG2  LYS 864           HG2      LYS  54  20.526  -2.833 -10.441
  362    HG3  LYS 864           HG3      LYS  54  21.094  -2.239 -11.988
  363    HD2  LYS 864           HD2      LYS  54  21.841  -4.347 -12.736
  364    HD3  LYS 864           HD3      LYS  54  21.799  -5.075 -11.123
  365    HE2  LYS 864           HE2      LYS  54  19.358  -4.861 -11.034
  366    HE3  LYS 864           HE3      LYS  54  19.339  -4.048 -12.596
  367    HZ1  LYS 864           HZ1      LYS  54  20.379  -6.159 -13.523
  368    HZ2  LYS 864           HZ2      LYS  54  18.829  -6.307 -13.032
  369    HZ3  LYS 864           HZ3      LYS  54  20.020  -6.885 -12.076
  370    H    GLU 865           H        GLU  55  25.399  -3.557 -10.244
  371    HA   GLU 865           HA       GLU  55  26.754  -2.143  -8.117
  372    HB2  GLU 865           HB2      GLU  55  27.736  -2.665 -10.917
  373    HB3  GLU 865           HB3      GLU  55  28.680  -1.917  -9.615
  374    HG2  GLU 865           HG2      GLU  55  28.583  -4.003  -8.328
  375    HG3  GLU 865           HG3      GLU  55  27.480  -4.729  -9.491
  376    H    ASP 866           H        ASP  56  24.608  -0.932 -10.398
  377    HA   ASP 866           HA       ASP  56  25.851   1.633 -11.011
  378    HB2  ASP 866           HB2      ASP  56  22.919   0.827 -10.908
  379    HB3  ASP 866           HB3      ASP  56  23.554   2.310 -11.618
  380    H    HIS 867           H        HIS  57  24.898   0.305  -8.091
  381    HA   HIS 867           HA       HIS  57  23.354   2.258  -6.911
  382    HB2  HIS 867           HB2      HIS  57  24.693  -0.212  -6.111
  383    HB3  HIS 867           HB3      HIS  57  24.914   0.994  -4.868
  384    HD2  HIS 867           HD2      HIS  57  22.277  -1.006  -6.607
  385    HE1  HIS 867           HE1      HIS  57  20.109   1.541  -3.987
  386    H    GLN 868           H        GLN  58  23.668   3.358  -5.036
  387    HA   GLN 868           HA       GLN  58  26.262   4.587  -4.386
  388    HB2  GLN 868           HB2      GLN  58  23.690   6.073  -4.863
  389    HB3  GLN 868           HB3      GLN  58  25.119   6.778  -4.086
  390    HG2  GLN 868           HG2      GLN  58  25.015   5.672  -6.952
  391    HG3  GLN 868           HG3      GLN  58  24.887   7.355  -6.499
  392   HE21  GLN 868          HE21      GLN  58  27.234   4.655  -6.936
  393   HE22  GLN 868          HE22      GLN  58  28.606   5.731  -6.689
  394    H    LEU 869           H        LEU  59  26.650   4.474  -2.248
  395    HA   LEU 869           HA       LEU  59  24.458   3.487  -0.486
  396    HB2  LEU 869           HB2      LEU  59  27.477   3.197  -0.337
  397    HB3  LEU 869           HB3      LEU  59  26.360   2.668   0.906
  398    HG   LEU 869           HG       LEU  59  27.107   0.845  -0.376
  399   HD11  LEU 869          HD11      LEU  59  24.166   1.370  -0.977
  400   HD12  LEU 869          HD12      LEU  59  24.825   0.724   0.552
  401   HD13  LEU 869          HD13      LEU  59  24.931  -0.209  -0.953
  402   HD21  LEU 869          HD21      LEU  59  26.719   0.344  -2.631
  403   HD22  LEU 869          HD22      LEU  59  27.494   1.936  -2.577
  404   HD23  LEU 869          HD23      LEU  59  25.739   1.789  -2.881
  405    H    GLU 870           H        GLU  60  23.791   4.576   1.236
  406    HA   GLU 870           HA       GLU  60  25.010   7.270   1.693
  407    HB2  GLU 870           HB2      GLU  60  22.916   7.251   0.592
  408    HB3  GLU 870           HB3      GLU  60  22.159   6.313   1.876
  409    HG2  GLU 870           HG2      GLU  60  21.470   8.557   2.175
  410    HG3  GLU 870           HG3      GLU  60  22.649   8.246   3.438
  411    HA   PRO 871           HA       PRO  61  25.492   5.646   5.955
  412    HB2  PRO 871           HB2      PRO  61  27.254   7.481   6.853
  413    HB3  PRO 871           HB3      PRO  61  27.725   6.168   5.749
  414    HG2  PRO 871           HG2      PRO  61  27.144   9.066   5.101
  415    HG3  PRO 871           HG3      PRO  61  28.470   8.036   4.501
  416    HD2  PRO 871           HD2      PRO  61  26.098   8.506   3.110
  417    HD3  PRO 871           HD3      PRO  61  27.085   7.034   2.909
  418    H    ILE 872           H        ILE  62  23.809   5.947   7.201
  419    HA   ILE 872           HA       ILE  62  22.697   8.652   7.757
  420    HB   ILE 872           HB       ILE  62  21.485   5.896   8.098
  421   HG12  ILE 872          HG12      ILE  62  20.856   8.071   6.051
  422   HG13  ILE 872          HG13      ILE  62  21.809   6.627   5.713
  423   HG21  ILE 872          HG21      ILE  62  20.316   8.691   8.489
  424   HG22  ILE 872          HG22      ILE  62  20.629   7.485   9.758
  425   HG23  ILE 872          HG23      ILE  62  19.387   7.181   8.550
  426   HD11  ILE 872          HD11      ILE  62  18.867   6.652   6.463
  427   HD12  ILE 872          HD12      ILE  62  19.867   5.189   6.268
  428   HD13  ILE 872          HD13      ILE  62  19.584   6.279   4.897
  429    H    TYR 873           H        TYR  63  23.507   9.580   9.448
  430    HA   TYR 873           HA       TYR  63  24.769   8.082  11.642
  431    HB2  TYR 873           HB2      TYR  63  24.706  10.999  10.784
  432    HB3  TYR 873           HB3      TYR  63  25.552  10.407  12.200
  433    HD1  TYR 873           HD1      TYR  63  25.959   7.759  10.007
  434    HD2  TYR 873           HD2      TYR  63  27.192  11.858  10.464
  435    HE1  TYR 873           HE1      TYR  63  28.119   7.217   8.906
  436    HE2  TYR 873           HE2      TYR  63  29.285  11.368   9.195
  437    HH   TYR 873           HH       TYR  63  30.571   9.747   8.163
  438    H    ARG 874           H        ARG  64  21.787   8.892  11.411
  439    HA   ARG 874           HA       ARG  64  21.326   9.222  14.300
  440    HB2  ARG 874           HB2      ARG  64  20.122  11.069  12.177
  441    HB3  ARG 874           HB3      ARG  64  19.590  11.013  13.852
  442    HG2  ARG 874           HG2      ARG  64  22.338  11.892  12.868
  443    HG3  ARG 874           HG3      ARG  64  21.051  12.935  13.460
  444    HD2  ARG 874           HD2      ARG  64  22.393  10.760  15.110
  445    HD3  ARG 874           HD3      ARG  64  22.884  12.454  15.144
  446    HE   ARG 874           HE       ARG  64  20.495  11.242  16.354
  447   HH11  ARG 874          HH11      ARG  64  19.136  12.468  17.616
  448   HH12  ARG 874          HH12      ARG  64  19.374  14.184  17.736
  449   HH21  ARG 874          HH21      ARG  64  21.989  14.317  15.530
  450   HH22  ARG 874          HH22      ARG  64  20.919  15.212  16.572
  451    H1   ALA   1           H1       ALA  65  17.117  -2.305   3.858
  452    H2   ALA   1           H2       ALA  65  17.810  -3.722   3.347
  453    H3   ALA   1           H3       ALA  65  17.539  -3.473   4.946
  454    HA   ALA   1           HA       ALA  65  15.488  -3.726   2.887
  455    HB1  ALA   1           HB1      ALA  65  16.695  -5.743   4.721
  456    HB2  ALA   1           HB2      ALA  65  16.046  -5.872   3.067
  457    HB3  ALA   1           HB3      ALA  65  14.943  -5.807   4.440
  458    H    ARG   2           H        ARG  66  13.523  -2.722   3.454
  459    HA   ARG   2           HA       ARG  66  13.142  -1.649   6.141
  460    HB2  ARG   2           HB2      ARG  66  11.284  -2.124   3.777
  461    HB3  ARG   2           HB3      ARG  66  10.666  -1.580   5.344
  462    HG2  ARG   2           HG2      ARG  66  12.032   0.414   5.300
  463    HG3  ARG   2           HG3      ARG  66  12.853  -0.097   3.817
  464    HD2  ARG   2           HD2      ARG  66  10.649  -0.039   2.619
  465    HD3  ARG   2           HD3      ARG  66   9.881   0.509   4.123
  466    HE   ARG   2           HE       ARG  66  12.124   2.191   3.273
  467   HH11  ARG   2          HH11      ARG  66  11.720   4.299   2.647
  468   HH12  ARG   2          HH12      ARG  66  10.113   4.779   2.206
  469   HH21  ARG   2          HH21      ARG  66   8.683   1.716   2.798
  470   HH22  ARG   2          HH22      ARG  66   8.426   3.374   2.315
  471    H    THR   3           H        THR  67  12.412  -2.583   7.902
  472    HA   THR   3           HA       THR  67  11.369  -5.401   7.850
  473    HB   THR   3           HB       THR  67  13.597  -4.349   9.627
  474    HG1  THR   3           HG1      THR  67  13.725  -5.910   7.258
  475   HG21  THR   3          HG21      THR  67  14.218  -6.756   9.822
  476   HG22  THR   3          HG22      THR  67  12.682  -7.191   9.034
  477   HG23  THR   3          HG23      THR  67  12.695  -6.378  10.621
  478    H    LYS   4           H        LYS  68  10.600  -2.346   8.895
  479    HA   LYS   4           HA       LYS  68   9.826  -2.719  11.618
  480    HB2  LYS   4           HB2      LYS  68  10.169  -0.546  10.398
  481    HB3  LYS   4           HB3      LYS  68   8.647  -0.811   9.543
  482    HG2  LYS   4           HG2      LYS  68   7.447  -0.829  11.733
  483    HG3  LYS   4           HG3      LYS  68   8.974  -0.548  12.573
  484    HD2  LYS   4           HD2      LYS  68   7.711   1.347  10.536
  485    HD3  LYS   4           HD3      LYS  68   7.570   1.489  12.290
  486    HE2  LYS   4           HE2      LYS  68  10.059   1.685  12.467
  487    HE3  LYS   4           HE3      LYS  68  10.176   1.645  10.700
  488    HZ1  LYS   4           HZ1      LYS  68  10.162   3.938  11.533
  489    HZ2  LYS   4           HZ2      LYS  68   8.728   3.725  12.274
  490    HZ3  LYS   4           HZ3      LYS  68   8.818   3.692  10.640
  491    H    GLN   5           H        GLN  69   7.973  -3.397  12.599
  492    HA   GLN   5           HA       GLN  69   6.516  -5.450  11.331
  493    HB2  GLN   5           HB2      GLN  69   7.068  -5.387  13.710
  494    HB3  GLN   5           HB3      GLN  69   6.048  -3.965  13.950
  495    HG2  GLN   5           HG2      GLN  69   4.953  -5.991  14.779
  496    HG3  GLN   5           HG3      GLN  69   4.032  -5.260  13.481
  497   HE21  GLN   5          HE21      GLN  69   2.972  -7.074  12.634
  498   HE22  GLN   5          HE22      GLN  69   3.826  -8.510  12.050
  499    H    THR   6           H        THR  70   5.538  -2.126  11.952
  500    HA   THR   6           HA       THR  70   3.928  -0.769  11.359
  501    HB   THR   6           HB       THR  70   4.918  -1.385   9.153
  502    HG1  THR   6           HG1      THR  70   3.483  -0.034   8.149
  503   HG21  THR   6          HG21      THR  70   3.835  -3.498   8.574
  504   HG22  THR   6          HG22      THR  70   3.349  -2.249   7.436
  505   HG23  THR   6          HG23      THR  70   2.224  -2.749   8.708
  506    H    ALA   7           H        ALA  71   2.609  -4.048  11.362
  507    HA   ALA   7           HA       ALA  71   0.120  -2.996  12.581
  508    HB1  ALA   7           HB1      ALA  71  -1.285  -4.292  11.021
  509    HB2  ALA   7           HB2      ALA  71   0.162  -4.810  10.129
  510    HB3  ALA   7           HB3      ALA  71  -0.315  -3.097  10.143
  511    H    ARG   8           H        ARG  72  -1.103  -4.554  13.762
  512    HA   ARG   8           HA       ARG  72   0.547  -6.493  15.171
  513    HB2  ARG   8           HB2      ARG  72  -2.465  -5.996  15.294
  514    HB3  ARG   8           HB3      ARG  72  -1.537  -6.939  16.458
  515    HG2  ARG   8           HG2      ARG  72  -1.264  -3.945  15.968
  516    HG3  ARG   8           HG3      ARG  72  -2.055  -4.728  17.332
  517    HD2  ARG   8           HD2      ARG  72   0.163  -5.767  17.963
  518    HD3  ARG   8           HD3      ARG  72   0.917  -4.848  16.660
  519    HE   ARG   8           HE       ARG  72   0.701  -2.861  17.841
  520   HH11  ARG   8          HH11      ARG  72   0.518  -1.639  19.675
  521   HH12  ARG   8          HH12      ARG  72  -0.264  -2.287  21.087
  522   HH21  ARG   8          HH21      ARG  72  -0.950  -5.351  19.696
  523   HH22  ARG   8          HH22      ARG  72  -1.079  -4.333  21.104
  524    H    LYS   9           H        LYS  73  -1.563  -6.821  12.455
  525    HA   LYS   9           HA       LYS  73  -0.894  -9.675  12.192
  526    HB2  LYS   9           HB2      LYS  73  -3.061  -9.452  13.574
  527    HB3  LYS   9           HB3      LYS  73  -3.804  -8.740  12.159
  528    HG2  LYS   9           HG2      LYS  73  -4.441 -11.052  12.319
  529    HG3  LYS   9           HG3      LYS  73  -3.453 -10.843  10.892
  530    HD2  LYS   9           HD2      LYS  73  -2.897 -12.936  12.043
  531    HD3  LYS   9           HD3      LYS  73  -1.522 -11.860  12.001
  532    HE2  LYS   9           HE2      LYS  73  -1.575 -12.885  14.160
  533    HE3  LYS   9           HE3      LYS  73  -1.979 -11.185  14.380
  534    HZ1  LYS   9           HZ1      LYS  73  -4.346 -11.854  14.537
  535    HZ2  LYS   9           HZ2      LYS  73  -3.463 -12.659  15.644
  536    HZ3  LYS   9           HZ3      LYS  73  -3.954 -13.426  14.293
  537    H    SER  10           H        SER  74  -1.062 -10.443  10.042
  538    HA   SER  10           HA       SER  74  -0.755  -8.502   7.936
  539    HB2  SER  10           HB2      SER  74   0.347 -10.712   7.948
  540    HB3  SER  10           HB3      SER  74  -1.230 -11.500   7.753
  541    HG   SER  10           HG       SER  74  -0.100 -11.183   5.746
  542    H    THR  11           H        THR  75  -2.072  -8.044   6.148
  543    HA   THR  11           HA       THR  75  -4.799  -9.026   5.928
  544    HB   THR  11           HB       THR  75  -5.004  -7.323   7.746
  545    HG1  THR  11           HG1      THR  75  -6.816  -7.641   6.572
  546   HG21  THR  11          HG21      THR  75  -4.870  -4.950   7.246
  547   HG22  THR  11          HG22      THR  75  -4.328  -5.276   5.588
  548   HG23  THR  11          HG23      THR  75  -3.284  -5.691   6.972
  549    H    GLY  12           H        GLY  76  -5.913  -8.190   4.015
  550    HA2  GLY  12           HA2      GLY  76  -4.696  -6.578   1.992
  551    HA3  GLY  12           HA3      GLY  76  -4.334  -8.272   1.666
  Start of MODEL    6
    1    H1   GLY 811           H1       GLY   1  20.605   7.950  19.371
    2    H2   GLY 811           H2       GLY   1  20.014   9.440  19.038
    3    H3   GLY 811           H3       GLY   1  20.000   8.883  20.573
    4    HA2  GLY 811           HA2      GLY   1  21.762  10.501  20.341
    5    HA3  GLY 811           HA3      GLY   1  22.410   8.893  20.693
    6    HA   PRO 812           HA       PRO   2  24.606  10.631  16.960
    7    HB2  PRO 812           HB2      PRO   2  26.977   9.783  18.613
    8    HB3  PRO 812           HB3      PRO   2  26.747  11.282  17.667
    9    HG2  PRO 812           HG2      PRO   2  26.571  11.352  20.340
   10    HG3  PRO 812           HG3      PRO   2  25.332  12.215  19.362
   11    HD2  PRO 812           HD2      PRO   2  25.153   9.426  20.565
   12    HD3  PRO 812           HD3      PRO   2  24.008  10.790  20.731
   13    H    LEU 813           H        LEU   3  26.419   9.715  15.614
   14    HA   LEU 813           HA       LEU   3  25.982   7.073  14.836
   15    HB2  LEU 813           HB2      LEU   3  27.810   7.227  13.411
   16    HB3  LEU 813           HB3      LEU   3  27.083   8.810  13.445
   17    HG   LEU 813           HG       LEU   3  29.629   7.976  14.912
   18   HD11  LEU 813          HD11      LEU   3  29.283   9.683  12.425
   19   HD12  LEU 813          HD12      LEU   3  29.852   8.002  12.444
   20   HD13  LEU 813          HD13      LEU   3  30.818   9.267  13.222
   21   HD21  LEU 813          HD21      LEU   3  30.042  10.390  15.188
   22   HD22  LEU 813          HD22      LEU   3  28.661   9.826  16.110
   23   HD23  LEU 813          HD23      LEU   3  28.407  10.737  14.590
   24    H    GLY 814           H        GLY   4  27.192   5.163  14.980
   25    HA2  GLY 814           HA2      GLY   4  28.304   3.498  16.126
   26    HA3  GLY 814           HA3      GLY   4  29.093   4.691  17.175
   27    H    SER 815           H        SER   5  26.006   5.611  17.553
   28    HA   SER 815           HA       SER   5  25.063   3.417  19.346
   29    HB2  SER 815           HB2      SER   5  24.420   6.353  19.674
   30    HB3  SER 815           HB3      SER   5  24.129   5.046  20.829
   31    HG   SER 815           HG       SER   5  25.943   6.276  21.489
   32    H    VAL 816           H        VAL   6  24.568   4.983  16.469
   33    HA   VAL 816           HA       VAL   6  21.737   5.540  16.564
   34    HB   VAL 816           HB       VAL   6  24.008   5.835  14.813
   35   HG11  VAL 816          HG11      VAL   6  22.965   5.921  12.688
   36   HG12  VAL 816          HG12      VAL   6  21.439   5.269  13.357
   37   HG13  VAL 816          HG13      VAL   6  22.903   4.239  13.302
   38   HG21  VAL 816          HG21      VAL   6  22.785   7.707  14.106
   39   HG22  VAL 816          HG22      VAL   6  22.833   7.581  15.868
   40   HG23  VAL 816          HG23      VAL   6  21.328   7.165  14.972
   41    H    GLN 817           H        GLN   7  20.079   4.281  15.664
   42    HA   GLN 817           HA       GLN   7  20.634   1.454  14.999
   43    HB2  GLN 817           HB2      GLN   7  19.226   0.697  16.974
   44    HB3  GLN 817           HB3      GLN   7  20.898   1.184  17.258
   45    HG2  GLN 817           HG2      GLN   7  20.257   3.372  18.091
   46    HG3  GLN 817           HG3      GLN   7  18.576   3.072  17.784
   47   HE21  GLN 817          HE21      GLN   7  19.197   3.909  20.226
   48   HE22  GLN 817          HE22      GLN   7  19.373   2.624  21.406
   49    H    HIS 818           H        HIS   8  19.573   1.358  13.230
   50    HA   HIS 818           HA       HIS   8  16.937   2.614  12.896
   51    HB2  HIS 818           HB2      HIS   8  18.890   1.194  11.082
   52    HB3  HIS 818           HB3      HIS   8  17.253   1.622  10.575
   53    HD2  HIS 818           HD2      HIS   8  20.265   3.571  12.145
   54    HE1  HIS 818           HE1      HIS   8  17.749   6.364  10.135
   55    HE2  HIS 818           HE2      HIS   8  19.823   6.117  11.563
   56    H    VAL 819           H        VAL   9  16.373   1.184  14.779
   57    HA   VAL 819           HA       VAL   9  15.414  -1.455  14.649
   58    HB   VAL 819           HB       VAL   9  14.309   0.977  16.043
   59   HG11  VAL 819          HG11      VAL   9  13.336  -0.639  17.623
   60   HG12  VAL 819          HG12      VAL   9  13.875  -1.990  16.601
   61   HG13  VAL 819          HG13      VAL   9  12.623  -0.851  16.014
   62   HG21  VAL 819          HG21      VAL   9  16.224  -1.214  16.957
   63   HG22  VAL 819          HG22      VAL   9  15.535   0.059  17.986
   64   HG23  VAL 819          HG23      VAL   9  16.634   0.498  16.686
   65    H    GLY 820           H        GLY  10  14.500  -2.252  12.858
   66    HA2  GLY 820           HA2      GLY  10  12.434  -2.570  11.611
   67    HA3  GLY 820           HA3      GLY  10  12.211  -0.860  11.507
   68    H    PHE 821           H        PHE  11  15.556  -1.673  10.947
   69    HA   PHE 821           HA       PHE  11  15.121  -2.120   8.028
   70    HB2  PHE 821           HB2      PHE  11  16.902   0.034   9.167
   71    HB3  PHE 821           HB3      PHE  11  16.818  -0.425   7.483
   72    HD1  PHE 821           HD1      PHE  11  15.029   1.316  10.224
   73    HD2  PHE 821           HD2      PHE  11  14.941   0.209   6.057
   74    HE1  PHE 821           HE1      PHE  11  13.227   2.977   9.819
   75    HE2  PHE 821           HE2      PHE  11  13.138   1.873   5.658
   76    HZ   PHE 821           HZ       PHE  11  12.273   3.249   7.542
   77    H    LYS 822           H        LYS  12  15.960  -4.043   7.824
   78    HA   LYS 822           HA       LYS  12  18.178  -5.089   9.322
   79    HB2  LYS 822           HB2      LYS  12  16.222  -6.425   8.736
   80    HB3  LYS 822           HB3      LYS  12  16.505  -6.148   7.033
   81    HG2  LYS 822           HG2      LYS  12  18.767  -7.393   7.416
   82    HG3  LYS 822           HG3      LYS  12  18.100  -7.953   8.917
   83    HD2  LYS 822           HD2      LYS  12  16.724  -8.267   6.245
   84    HD3  LYS 822           HD3      LYS  12  17.908  -9.440   6.815
   85    HE2  LYS 822           HE2      LYS  12  16.578  -9.852   8.820
   86    HE3  LYS 822           HE3      LYS  12  15.326  -8.716   8.293
   87    HZ1  LYS 822           HZ1      LYS  12  14.928 -10.188   6.349
   88    HZ2  LYS 822           HZ2      LYS  12  14.726 -11.020   7.737
   89    HZ3  LYS 822           HZ3      LYS  12  16.081 -11.234   6.857
   90    H    CYS 823           H        CYS  13  20.270  -5.687   8.535
   91    HA   CYS 823           HA       CYS  13  21.356  -4.522   6.054
   92    HB2  CYS 823           HB2      CYS  13  22.847  -4.727   7.988
   93    HB3  CYS 823           HB3      CYS  13  22.477  -6.444   8.126
   94    H    ASP 824           H        ASP  14  20.824  -5.481   4.090
   95    HA   ASP 824           HA       ASP  14  19.725  -8.121   3.886
   96    HB2  ASP 824           HB2      ASP  14  20.913  -6.276   1.776
   97    HB3  ASP 824           HB3      ASP  14  20.101  -7.795   1.408
   98    H    ASN 825           H        ASN  15  23.014  -7.260   4.253
   99    HA   ASN 825           HA       ASN  15  24.069  -9.541   2.681
  100    HB2  ASN 825           HB2      ASN  15  25.223  -7.346   2.691
  101    HB3  ASN 825           HB3      ASN  15  25.490  -7.512   4.421
  102   HD21  ASN 825          HD21      ASN  15  27.575  -7.899   4.744
  103   HD22  ASN 825          HD22      ASN  15  28.515  -9.108   3.854
  104    H    CYS 826           H        CYS  16  24.277  -8.486   6.148
  105    HA   CYS 826           HA       CYS  16  24.876 -11.312   6.876
  106    HB2  CYS 826           HB2      CYS  16  25.844 -10.470   8.867
  107    HB3  CYS 826           HB3      CYS  16  26.508  -9.605   7.488
  108    H    GLY 827           H        GLY  17  22.224  -9.157   6.957
  109    HA2  GLY 827           HA2      GLY  17  20.084  -9.595   7.539
  110    HA3  GLY 827           HA3      GLY  17  20.539 -11.141   8.164
  111    H    ILE 828           H        ILE  18  22.241  -8.426   9.649
  112    HA   ILE 828           HA       ILE  18  20.794  -8.667  12.168
  113    HB   ILE 828           HB       ILE  18  23.020  -7.858  12.325
  114   HG12  ILE 828          HG12      ILE  18  21.471  -5.305  12.832
  115   HG13  ILE 828          HG13      ILE  18  20.983  -6.754  13.674
  116   HG21  ILE 828          HG21      ILE  18  23.268  -6.744  10.094
  117   HG22  ILE 828          HG22      ILE  18  23.908  -5.788  11.416
  118   HG23  ILE 828          HG23      ILE  18  22.340  -5.370  10.687
  119   HD11  ILE 828          HD11      ILE  18  23.769  -5.527  13.783
  120   HD12  ILE 828          HD12      ILE  18  23.253  -7.014  14.622
  121   HD13  ILE 828          HD13      ILE  18  22.525  -5.452  15.043
  122    H    GLU 829           H        GLU  19  18.829  -8.361  12.296
  123    HA   GLU 829           HA       GLU  19  17.276  -6.956  10.544
  124    HB2  GLU 829           HB2      GLU  19  15.480  -7.223  12.434
  125    HB3  GLU 829           HB3      GLU  19  15.997  -8.490  11.336
  126    HG2  GLU 829           HG2      GLU  19  17.404  -9.481  13.053
  127    HG3  GLU 829           HG3      GLU  19  17.148  -8.109  14.136
  128    HA   PRO 830           HA       PRO  20  17.598  -3.022  11.643
  129    HB2  PRO 830           HB2      PRO  20  17.474  -1.886  13.919
  130    HB3  PRO 830           HB3      PRO  20  16.171  -3.063  13.457
  131    HG2  PRO 830           HG2      PRO  20  18.553  -3.488  15.221
  132    HG3  PRO 830           HG3      PRO  20  16.872  -3.960  15.534
  133    HD2  PRO 830           HD2      PRO  20  18.926  -5.575  14.380
  134    HD3  PRO 830           HD3      PRO  20  17.175  -5.893  14.224
  135    H    ILE 831           H        ILE  21  19.231  -1.850  10.877
  136    HA   ILE 831           HA       ILE  21  21.907  -2.528  11.636
  137    HB   ILE 831           HB       ILE  21  20.816  -0.345   9.851
  138   HG12  ILE 831          HG12      ILE  21  22.402  -2.704   8.862
  139   HG13  ILE 831          HG13      ILE  21  20.790  -3.100   9.454
  140   HG21  ILE 831          HG21      ILE  21  23.000   0.385  10.583
  141   HG22  ILE 831          HG22      ILE  21  23.212  -0.333   8.986
  142   HG23  ILE 831          HG23      ILE  21  23.683  -1.242  10.427
  143   HD11  ILE 831          HD11      ILE  21  19.770  -1.542   7.871
  144   HD12  ILE 831          HD12      ILE  21  20.939  -2.543   6.983
  145   HD13  ILE 831          HD13      ILE  21  21.343  -0.876   7.433
  146    H    GLN 832           H        GLN  22  22.705  -2.057  13.555
  147    HA   GLN 832           HA       GLN  22  22.453   0.606  14.682
  148    HB2  GLN 832           HB2      GLN  22  23.986  -1.747  15.803
  149    HB3  GLN 832           HB3      GLN  22  23.547  -0.247  16.622
  150    HG2  GLN 832           HG2      GLN  22  21.035  -1.091  15.821
  151    HG3  GLN 832           HG3      GLN  22  21.844  -2.640  15.895
  152   HE21  GLN 832          HE21      GLN  22  19.600  -1.708  17.567
  153   HE22  GLN 832          HE22      GLN  22  20.213  -1.670  19.211
  154    H    GLY 833           H        GLY  23  24.243   1.748  15.528
  155    HA2  GLY 833           HA2      GLY  23  26.272   2.845  15.451
  156    HA3  GLY 833           HA3      GLY  23  26.852   1.854  14.166
  157    H    VAL 834           H        VAL  24  25.913   2.136  12.032
  158    HA   VAL 834           HA       VAL  24  24.523   4.666  11.455
  159    HB   VAL 834           HB       VAL  24  25.924   5.197   9.575
  160   HG11  VAL 834          HG11      VAL  24  26.392   6.246  11.725
  161   HG12  VAL 834          HG12      VAL  24  27.857   6.087  10.731
  162   HG13  VAL 834          HG13      VAL  24  27.607   4.988  12.081
  163   HG21  VAL 834          HG21      VAL  24  28.183   4.287   9.228
  164   HG22  VAL 834          HG22      VAL  24  26.911   3.128   8.862
  165   HG23  VAL 834          HG23      VAL  24  27.814   3.008  10.407
  166    H    ARG 835           H        ARG  25  23.016   4.405   9.802
  167    HA   ARG 835           HA       ARG  25  22.741   1.665   8.645
  168    HB2  ARG 835           HB2      ARG  25  20.746   2.483   9.554
  169    HB3  ARG 835           HB3      ARG  25  20.895   4.049   8.755
  170    HG2  ARG 835           HG2      ARG  25  20.546   2.950   6.544
  171    HG3  ARG 835           HG3      ARG  25  20.365   1.382   7.357
  172    HD2  ARG 835           HD2      ARG  25  18.372   2.154   8.503
  173    HD3  ARG 835           HD3      ARG  25  18.683   3.831   7.989
  174    HE   ARG 835           HE       ARG  25  18.284   1.870   5.817
  175   HH11  ARG 835          HH11      ARG  25  16.873   2.172   4.433
  176   HH12  ARG 835          HH12      ARG  25  15.525   3.298   4.622
  177   HH21  ARG 835          HH21      ARG  25  16.554   4.139   7.859
  178   HH22  ARG 835          HH22      ARG  25  15.334   4.387   6.641
  179    H    TRP 836           H        TRP  26  23.804   1.142   6.827
  180    HA   TRP 836           HA       TRP  26  24.381   3.195   4.784
  181    HB2  TRP 836           HB2      TRP  26  25.162   0.352   5.329
  182    HB3  TRP 836           HB3      TRP  26  25.236   0.888   3.724
  183    HD1  TRP 836           HD1      TRP  26  26.912   0.960   7.001
  184    HE1  TRP 836           HE1      TRP  26  29.299   1.842   6.695
  185    HE3  TRP 836           HE3      TRP  26  26.359   3.257   2.482
  186    HZ2  TRP 836           HZ2      TRP  26  30.697   3.633   4.896
  187    HZ3  TRP 836           HZ3      TRP  26  28.258   4.496   1.450
  188    HH2  TRP 836           HH2      TRP  26  30.423   4.693   2.648
  189    H    HIS 837           H        HIS  27  22.348   3.848   4.104
  190    HA   HIS 837           HA       HIS  27  20.232   1.954   3.338
  191    HB2  HIS 837           HB2      HIS  27  19.588   4.040   4.292
  192    HB3  HIS 837           HB3      HIS  27  20.607   4.955   3.173
  193    HD2  HIS 837           HD2      HIS  27  19.190   6.210   1.463
  194    HE1  HIS 837           HE1      HIS  27  15.960   3.472   0.965
  195    HE2  HIS 837           HE2      HIS  27  16.900   5.738   0.260
  196    H    CYS 838           H        CYS  28  19.668   1.218   1.274
  197    HA   CYS 838           HA       CYS  28  21.484   1.725  -0.960
  198    HB2  CYS 838           HB2      CYS  28  19.085   0.021  -0.371
  199    HB3  CYS 838           HB3      CYS  28  19.426   0.341  -2.000
  200    H    GLN 839           H        GLN  29  21.436   3.624  -1.864
  201    HA   GLN 839           HA       GLN  29  19.434   5.631  -1.563
  202    HB2  GLN 839           HB2      GLN  29  21.958   5.336  -3.218
  203    HB3  GLN 839           HB3      GLN  29  21.022   6.721  -3.448
  204    HG2  GLN 839           HG2      GLN  29  21.977   5.877  -0.663
  205    HG3  GLN 839           HG3      GLN  29  22.944   6.856  -1.773
  206   HE21  GLN 839          HE21      GLN  29  21.958   8.956  -2.563
  207   HE22  GLN 839          HE22      GLN  29  20.815   9.756  -1.499
  208    H    ASP 840           H        ASP  30  19.712   3.190  -4.133
  209    HA   ASP 840           HA       ASP  30  17.894   4.817  -5.817
  210    HB2  ASP 840           HB2      ASP  30  20.507   3.920  -6.395
  211    HB3  ASP 840           HB3      ASP  30  19.466   2.873  -7.329
  212    H    CYS 841           H        CYS  31  18.489   1.623  -4.357
  213    HA   CYS 841           HA       CYS  31  16.509   0.253  -5.750
  214    HB2  CYS 841           HB2      CYS  31  16.826  -0.206  -2.834
  215    HB3  CYS 841           HB3      CYS  31  16.486  -1.319  -4.017
  216    HA   PRO 842           HA       PRO  32  12.804   2.401  -4.498
  217    HB2  PRO 842           HB2      PRO  32  10.948   0.733  -5.580
  218    HB3  PRO 842           HB3      PRO  32  12.275   1.360  -6.591
  219    HG2  PRO 842           HG2      PRO  32  12.175  -1.260  -5.074
  220    HG3  PRO 842           HG3      PRO  32  12.485  -1.071  -6.813
  221    HD2  PRO 842           HD2      PRO  32  14.583  -1.218  -5.131
  222    HD3  PRO 842           HD3      PRO  32  14.583  -0.102  -6.505
  223    HA   PRO 843           HA       PRO  33  11.023   1.049  -0.627
  224    HB2  PRO 843           HB2      PRO  33   8.220   0.766  -1.599
  225    HB3  PRO 843           HB3      PRO  33   8.881   1.860  -0.354
  226    HG2  PRO 843           HG2      PRO  33   8.081   2.680  -2.840
  227    HG3  PRO 843           HG3      PRO  33   9.447   3.478  -1.969
  228    HD2  PRO 843           HD2      PRO  33   9.507   1.400  -4.155
  229    HD3  PRO 843           HD3      PRO  33  10.541   2.858  -3.959
  230    H    GLU 844           H        GLU  34  10.164  -0.925  -3.418
  231    HA   GLU 844           HA       GLU  34   8.767  -2.993  -1.980
  232    HB2  GLU 844           HB2      GLU  34   8.570  -2.117  -4.423
  233    HB3  GLU 844           HB3      GLU  34   9.976  -3.086  -4.781
  234    HG2  GLU 844           HG2      GLU  34   8.840  -5.121  -4.235
  235    HG3  GLU 844           HG3      GLU  34   7.463  -4.254  -3.532
  236    H    MET 845           H        MET  35  11.953  -2.270  -2.806
  237    HA   MET 845           HA       MET  35  13.254  -4.861  -2.276
  238    HB2  MET 845           HB2      MET  35  12.714  -4.394  -4.659
  239    HB3  MET 845           HB3      MET  35  13.434  -2.840  -4.554
  240    HG2  MET 845           HG2      MET  35  15.515  -3.672  -4.905
  241    HG3  MET 845           HG3      MET  35  15.198  -4.860  -3.655
  242    HE1  MET 845           HE1      MET  35  12.780  -6.653  -4.906
  243    HE2  MET 845           HE2      MET  35  14.220  -7.324  -4.091
  244    HE3  MET 845           HE3      MET  35  13.744  -7.918  -5.696
  245    H    SER 846           H        SER  36  12.943  -2.981  -0.364
  246    HA   SER 846           HA       SER  36  14.884  -0.788  -0.653
  247    HB2  SER 846           HB2      SER  36  13.889  -0.009   1.510
  248    HB3  SER 846           HB3      SER  36  12.816  -0.168   0.095
  249    HG   SER 846           HG       SER  36  11.690  -1.670   1.130
  250    H    LEU 847           H        LEU  37  16.564  -2.329  -0.848
  251    HA   LEU 847           HA       LEU  37  17.639  -3.768   1.313
  252    HB2  LEU 847           HB2      LEU  37  18.849  -2.434  -1.100
  253    HB3  LEU 847           HB3      LEU  37  19.853  -3.183   0.145
  254    HG   LEU 847           HG       LEU  37  18.297  -5.242  -0.311
  255   HD11  LEU 847          HD11      LEU  37  16.880  -4.346  -1.965
  256   HD12  LEU 847          HD12      LEU  37  17.954  -5.485  -2.779
  257   HD13  LEU 847          HD13      LEU  37  18.267  -3.736  -2.908
  258   HD21  LEU 847          HD21      LEU  37  20.059  -6.076  -1.868
  259   HD22  LEU 847          HD22      LEU  37  20.736  -5.236  -0.468
  260   HD23  LEU 847          HD23      LEU  37  20.639  -4.400  -2.022
  261    H    ASP 848           H        ASP  38  19.323  -3.374   2.634
  262    HA   ASP 848           HA       ASP  38  20.501  -0.752   3.015
  263    HB2  ASP 848           HB2      ASP  38  19.274  -2.093   5.432
  264    HB3  ASP 848           HB3      ASP  38  20.143  -0.564   5.366
  265    H    PHE 849           H        PHE  39  22.392  -0.941   4.470
  266    HA   PHE 849           HA       PHE  39  23.371  -3.673   4.998
  267    HB2  PHE 849           HB2      PHE  39  24.926  -1.493   3.599
  268    HB3  PHE 849           HB3      PHE  39  25.650  -2.920   4.321
  269    HD1  PHE 849           HD1      PHE  39  23.266  -1.807   1.648
  270    HD2  PHE 849           HD2      PHE  39  25.768  -4.996   3.139
  271    HE1  PHE 849           HE1      PHE  39  22.979  -3.062  -0.487
  272    HE2  PHE 849           HE2      PHE  39  25.609  -6.133   0.922
  273    HZ   PHE 849           HZ       PHE  39  24.176  -5.188  -0.857
  274    H    CYS 850           H        CYS  40  24.960  -3.777   6.691
  275    HA   CYS 850           HA       CYS  40  24.955  -1.422   8.471
  276    HB2  CYS 850           HB2      CYS  40  25.814  -2.935  10.203
  277    HB3  CYS 850           HB3      CYS  40  24.288  -3.519   9.540
  278    H    ASP 851           H        ASP  41  27.086  -0.785   9.488
  279    HA   ASP 851           HA       ASP  41  28.872  -0.204   7.316
  280    HB2  ASP 851           HB2      ASP  41  28.486   1.315   9.108
  281    HB3  ASP 851           HB3      ASP  41  29.170   0.255  10.317
  282    H    SER 852           H        SER  42  28.782  -2.935   9.393
  283    HA   SER 852           HA       SER  42  31.477  -3.950   8.940
  284    HB2  SER 852           HB2      SER  42  28.797  -5.322   9.384
  285    HB3  SER 852           HB3      SER  42  30.309  -6.160   9.454
  286    HG   SER 852           HG       SER  42  30.892  -4.878  11.297
  287    H    CYS 853           H        CYS  43  28.549  -3.739   7.028
  288    HA   CYS 853           HA       CYS  43  29.420  -5.899   5.214
  289    HB2  CYS 853           HB2      CYS  43  26.695  -4.946   6.114
  290    HB3  CYS 853           HB3      CYS  43  26.929  -5.931   4.665
  291    H    SER 854           H        SER  44  28.719  -2.378   5.089
  292    HA   SER 854           HA       SER  44  27.809  -2.332   2.390
  293    HB2  SER 854           HB2      SER  44  28.385   0.138   2.631
  294    HB3  SER 854           HB3      SER  44  27.290  -0.594   3.787
  295    HG   SER 854           HG       SER  44  30.032   0.171   4.124
  296    H    ASP 855           H        ASP  45  30.935  -3.140   3.386
  297    HA   ASP 855           HA       ASP  45  32.447  -2.075   1.145
  298    HB2  ASP 855           HB2      ASP  45  32.814  -4.630   2.770
  299    HB3  ASP 855           HB3      ASP  45  33.991  -3.963   1.645
  300    H    CYS 856           H        CYS  46  29.870  -4.318   1.337
  301    HA   CYS 856           HA       CYS  46  30.536  -5.837  -1.109
  302    HB2  CYS 856           HB2      CYS  46  29.406  -6.982   0.686
  303    HB3  CYS 856           HB3      CYS  46  28.103  -5.776   0.713
  304    HG   CYS 856           HG       CYS  46  28.916  -8.075  -1.539
  305    H    LEU 857           H        LEU  47  29.552  -5.621  -3.030
  306    HA   LEU 857           HA       LEU  47  27.633  -3.417  -3.527
  307    HB2  LEU 857           HB2      LEU  47  29.940  -2.541  -3.918
  308    HB3  LEU 857           HB3      LEU  47  30.175  -3.780  -5.143
  309    HG   LEU 857           HG       LEU  47  28.241  -2.794  -6.449
  310   HD11  LEU 857          HD11      LEU  47  26.979  -1.670  -4.683
  311   HD12  LEU 857          HD12      LEU  47  27.528  -0.469  -5.850
  312   HD13  LEU 857          HD13      LEU  47  28.381  -0.636  -4.306
  313   HD21  LEU 857          HD21      LEU  47  30.505  -0.882  -5.719
  314   HD22  LEU 857          HD22      LEU  47  29.483  -0.758  -7.166
  315   HD23  LEU 857          HD23      LEU  47  30.559  -2.155  -6.958
  316    H    HIS 858           H        HIS  48  26.399  -5.425  -3.365
  317    HA   HIS 858           HA       HIS  48  26.495  -7.445  -5.464
  318    HB2  HIS 858           HB2      HIS  48  25.657  -7.790  -3.082
  319    HB3  HIS 858           HB3      HIS  48  24.283  -6.783  -3.476
  320    HD2  HIS 858           HD2      HIS  48  22.326  -8.499  -3.454
  321    HE1  HIS 858           HE1      HIS  48  24.015 -11.536  -5.937
  322    HE2  HIS 858           HE2      HIS  48  21.936 -10.819  -4.659
  323    H    GLU 859           H        GLU  49  24.706  -8.019  -6.776
  324    HA   GLU 859           HA       GLU  49  23.124  -5.784  -7.787
  325    HB2  GLU 859           HB2      GLU  49  24.675  -7.593  -9.662
  326    HB3  GLU 859           HB3      GLU  49  23.686  -6.206  -9.978
  327    HG2  GLU 859           HG2      GLU  49  25.455  -4.807  -8.647
  328    HG3  GLU 859           HG3      GLU  49  26.476  -6.234  -8.818
  329    H    THR 860           H        THR  50  21.100  -6.346  -8.201
  330    HA   THR 860           HA       THR  50  20.242  -9.199  -8.477
  331    HB   THR 860           HB       THR  50  18.297  -8.758  -7.169
  332    HG1  THR 860           HG1      THR  50  17.817  -6.767  -6.334
  333   HG21  THR 860          HG21      THR  50  20.591  -7.507  -5.609
  334   HG22  THR 860          HG22      THR  50  20.306  -9.253  -5.809
  335   HG23  THR 860          HG23      THR  50  19.120  -8.260  -4.952
  336    H    ASP 861           H        ASP  51  17.465  -8.403  -8.984
  337    HA   ASP 861           HA       ASP  51  17.546  -7.577 -11.746
  338    HB2  ASP 861           HB2      ASP  51  15.276  -7.595  -9.723
  339    HB3  ASP 861           HB3      ASP  51  15.090  -7.318 -11.455
  340    H    ILE 862           H        ILE  52  17.644  -5.744  -8.768
  341    HA   ILE 862           HA       ILE  52  17.108  -3.169 -10.209
  342    HB   ILE 862           HB       ILE  52  16.061  -3.963  -7.486
  343   HG12  ILE 862          HG12      ILE  52  14.770  -5.139  -9.254
  344   HG13  ILE 862          HG13      ILE  52  13.845  -4.013  -8.294
  345   HG21  ILE 862          HG21      ILE  52  15.982  -1.407  -9.079
  346   HG22  ILE 862          HG22      ILE  52  16.458  -1.674  -7.394
  347   HG23  ILE 862          HG23      ILE  52  14.747  -1.773  -7.853
  348   HD11  ILE 862          HD11      ILE  52  14.866  -3.407 -11.100
  349   HD12  ILE 862          HD12      ILE  52  13.813  -2.369 -10.104
  350   HD13  ILE 862          HD13      ILE  52  13.229  -3.940 -10.675
  351    H    HIS 863           H        HIS  53  18.531  -4.683  -7.255
  352    HA   HIS 863           HA       HIS  53  20.076  -2.297  -6.570
  353    HB2  HIS 863           HB2      HIS  53  19.325  -3.926  -4.894
  354    HB3  HIS 863           HB3      HIS  53  20.188  -5.210  -5.693
  355    HD2  HIS 863           HD2      HIS  53  22.345  -5.859  -4.582
  356    HE1  HIS 863           HE1      HIS  53  23.369  -2.206  -2.673
  357    H    LYS 864           H        LYS  54  22.263  -1.920  -7.255
  358    HA   LYS 864           HA       LYS  54  23.564  -3.733  -9.187
  359    HB2  LYS 864           HB2      LYS  54  22.863  -0.881  -9.957
  360    HB3  LYS 864           HB3      LYS  54  23.705  -2.030 -10.948
  361    HG2  LYS 864           HG2      LYS  54  20.801  -2.269 -10.175
  362    HG3  LYS 864           HG3      LYS  54  21.385  -1.572 -11.674
  363    HD2  LYS 864           HD2      LYS  54  22.265  -3.619 -12.491
  364    HD3  LYS 864           HD3      LYS  54  22.135  -4.427 -10.917
  365    HE2  LYS 864           HE2      LYS  54  19.706  -4.252 -10.960
  366    HE3  LYS 864           HE3      LYS  54  19.751  -3.354 -12.472
  367    HZ1  LYS 864           HZ1      LYS  54  20.459  -6.212 -12.093
  368    HZ2  LYS 864           HZ2      LYS  54  20.862  -5.393 -13.471
  369    HZ3  LYS 864           HZ3      LYS  54  19.294  -5.591 -13.060
  370    H    GLU 865           H        GLU  55  25.649  -2.820  -9.968
  371    HA   GLU 865           HA       GLU  55  27.022  -1.308  -7.929
  372    HB2  GLU 865           HB2      GLU  55  28.859  -1.396  -9.359
  373    HB3  GLU 865           HB3      GLU  55  28.132  -2.989  -9.302
  374    HG2  GLU 865           HG2      GLU  55  27.087  -2.422 -11.583
  375    HG3  GLU 865           HG3      GLU  55  28.004  -0.923 -11.560
  376    H    ASP 866           H        ASP  56  24.850  -0.462 -10.311
  377    HA   ASP 866           HA       ASP  56  25.995   2.170 -11.130
  378    HB2  ASP 866           HB2      ASP  56  24.884   0.681 -12.812
  379    HB3  ASP 866           HB3      ASP  56  23.401   0.738 -11.866
  380    H    HIS 867           H        HIS  57  23.849   0.629  -8.955
  381    HA   HIS 867           HA       HIS  57  22.379   2.947  -7.992
  382    HB2  HIS 867           HB2      HIS  57  21.069   1.081  -7.874
  383    HB3  HIS 867           HB3      HIS  57  22.408  -0.036  -7.741
  384    HD2  HIS 867           HD2      HIS  57  23.393  -0.468  -5.300
  385    HE1  HIS 867           HE1      HIS  57  20.305   1.652  -3.249
  386    H    GLN 868           H        GLN  58  22.591   3.356  -5.595
  387    HA   GLN 868           HA       GLN  58  25.463   3.532  -4.797
  388    HB2  GLN 868           HB2      GLN  58  23.376   5.713  -4.901
  389    HB3  GLN 868           HB3      GLN  58  24.985   5.901  -4.184
  390    HG2  GLN 868           HG2      GLN  58  24.428   5.237  -7.122
  391    HG3  GLN 868           HG3      GLN  58  24.755   6.826  -6.465
  392   HE21  GLN 868          HE21      GLN  58  26.318   3.537  -7.016
  393   HE22  GLN 868          HE22      GLN  58  27.927   4.242  -6.972
  394    H    LEU 869           H        LEU  59  26.022   3.816  -2.607
  395    HA   LEU 869           HA       LEU  59  23.893   3.153  -0.631
  396    HB2  LEU 869           HB2      LEU  59  26.896   2.747  -0.419
  397    HB3  LEU 869           HB3      LEU  59  25.653   2.187   0.684
  398    HG   LEU 869           HG       LEU  59  26.496   0.372  -0.461
  399   HD11  LEU 869          HD11      LEU  59  24.511  -0.657  -1.452
  400   HD12  LEU 869          HD12      LEU  59  23.766   0.922  -1.675
  401   HD13  LEU 869          HD13      LEU  59  24.090   0.299  -0.021
  402   HD21  LEU 869          HD21      LEU  59  26.614  -0.125  -2.715
  403   HD22  LEU 869          HD22      LEU  59  27.349   1.477  -2.537
  404   HD23  LEU 869          HD23      LEU  59  25.703   1.293  -3.214
  405    H    GLU 870           H        GLU  60  23.775   4.344   1.312
  406    HA   GLU 870           HA       GLU  60  25.527   6.763   1.573
  407    HB2  GLU 870           HB2      GLU  60  23.535   7.468   0.484
  408    HB3  GLU 870           HB3      GLU  60  22.516   6.599   1.631
  409    HG2  GLU 870           HG2      GLU  60  22.380   8.938   2.069
  410    HG3  GLU 870           HG3      GLU  60  23.175   8.151   3.417
  411    HA   PRO 871           HA       PRO  61  25.511   5.169   5.849
  412    HB2  PRO 871           HB2      PRO  61  27.559   6.600   6.847
  413    HB3  PRO 871           HB3      PRO  61  27.808   5.272   5.697
  414    HG2  PRO 871           HG2      PRO  61  27.814   8.241   5.147
  415    HG3  PRO 871           HG3      PRO  61  28.913   6.982   4.509
  416    HD2  PRO 871           HD2      PRO  61  26.676   8.000   3.177
  417    HD3  PRO 871           HD3      PRO  61  27.395   6.405   2.843
  418    H    ILE 872           H        ILE  62  23.680   5.805   6.789
  419    HA   ILE 872           HA       ILE  62  23.061   8.599   7.411
  420    HB   ILE 872           HB       ILE  62  21.629   6.008   8.076
  421   HG12  ILE 872          HG12      ILE  62  21.117   8.096   5.906
  422   HG13  ILE 872          HG13      ILE  62  21.802   6.485   5.662
  423   HG21  ILE 872          HG21      ILE  62  20.674   8.893   8.371
  424   HG22  ILE 872          HG22      ILE  62  21.043   7.766   9.698
  425   HG23  ILE 872          HG23      ILE  62  19.690   7.440   8.641
  426   HD11  ILE 872          HD11      ILE  62  19.689   5.459   6.474
  427   HD12  ILE 872          HD12      ILE  62  19.497   6.435   5.008
  428   HD13  ILE 872          HD13      ILE  62  18.964   7.088   6.556
  429    H    TYR 873           H        TYR  63  24.124   9.559   9.021
  430    HA   TYR 873           HA       TYR  63  25.178   8.069  11.333
  431    HB2  TYR 873           HB2      TYR  63  25.336  10.986  10.483
  432    HB3  TYR 873           HB3      TYR  63  26.026  10.307  11.951
  433    HD1  TYR 873           HD1      TYR  63  26.415   7.739   9.624
  434    HD2  TYR 873           HD2      TYR  63  27.942  11.659  10.526
  435    HE1  TYR 873           HE1      TYR  63  28.632   7.069   8.713
  436    HE2  TYR 873           HE2      TYR  63  30.120  11.048   9.475
  437    HH   TYR 873           HH       TYR  63  31.382   9.379   8.483
  438    H    ARG 874           H        ARG  64  22.318   9.380  10.776
  439    HA   ARG 874           HA       ARG  64  21.550   9.394  13.610
  440    HB2  ARG 874           HB2      ARG  64  20.782  11.645  11.691
  441    HB3  ARG 874           HB3      ARG  64  20.099  11.420  13.300
  442    HG2  ARG 874           HG2      ARG  64  22.999  12.083  12.657
  443    HG3  ARG 874           HG3      ARG  64  21.785  13.191  13.285
  444    HD2  ARG 874           HD2      ARG  64  22.707  10.680  14.730
  445    HD3  ARG 874           HD3      ARG  64  23.400  12.270  15.020
  446    HE   ARG 874           HE       ARG  64  20.820  11.252  15.932
  447   HH11  ARG 874          HH11      ARG  64  19.475  12.510  17.188
  448   HH12  ARG 874          HH12      ARG  64  19.886  14.169  17.500
  449   HH21  ARG 874          HH21      ARG  64  22.664  14.204  15.503
  450   HH22  ARG 874          HH22      ARG  64  21.620  15.116  16.555
  451    H1   ALA   1           H1       ALA  65  17.310  -3.874   5.045
  452    H2   ALA   1           H2       ALA  65  16.790  -2.704   4.014
  453    H3   ALA   1           H3       ALA  65  17.496  -4.080   3.432
  454    HA   ALA   1           HA       ALA  65  15.132  -4.147   3.101
  455    HB1  ALA   1           HB1      ALA  65  16.499  -6.167   4.855
  456    HB2  ALA   1           HB2      ALA  65  15.909  -6.271   3.174
  457    HB3  ALA   1           HB3      ALA  65  14.757  -6.325   4.509
  458    H    ARG   2           H        ARG  66  13.249  -3.113   3.817
  459    HA   ARG   2           HA       ARG  66  12.932  -2.112   6.502
  460    HB2  ARG   2           HB2      ARG  66  10.958  -2.728   4.267
  461    HB3  ARG   2           HB3      ARG  66  10.444  -2.106   5.841
  462    HG2  ARG   2           HG2      ARG  66  11.759  -0.092   5.580
  463    HG3  ARG   2           HG3      ARG  66  12.471  -0.683   4.073
  464    HD2  ARG   2           HD2      ARG  66  10.750   0.903   3.518
  465    HD3  ARG   2           HD3      ARG  66  10.197  -0.685   3.024
  466    HE   ARG   2           HE       ARG  66   9.203   0.972   5.300
  467   HH11  ARG   2          HH11      ARG  66   7.250   0.427   6.279
  468   HH12  ARG   2          HH12      ARG  66   6.455  -1.060   5.792
  469   HH21  ARG   2          HH21      ARG  66   8.670  -1.981   3.429
  470   HH22  ARG   2          HH22      ARG  66   7.213  -2.342   4.340
  471    H    THR   3           H        THR  67  11.990  -2.860   8.300
  472    HA   THR   3           HA       THR  67  10.662  -5.517   8.438
  473    HB   THR   3           HB       THR  67  11.984  -6.189  10.375
  474    HG1  THR   3           HG1      THR  67  13.927  -5.005  10.837
  475   HG21  THR   3          HG21      THR  67  14.046  -6.783   9.374
  476   HG22  THR   3          HG22      THR  67  13.971  -5.415   8.233
  477   HG23  THR   3          HG23      THR  67  12.848  -6.794   8.067
  478    H    LYS   4           H        LYS  68   9.828  -5.841  10.788
  479    HA   LYS   4           HA       LYS  68   8.471  -5.252  12.490
  480    HB2  LYS   4           HB2      LYS  68  10.825  -4.246  12.979
  481    HB3  LYS   4           HB3      LYS  68  10.038  -2.680  12.774
  482    HG2  LYS   4           HG2      LYS  68   8.446  -3.284  14.605
  483    HG3  LYS   4           HG3      LYS  68   9.240  -4.865  14.755
  484    HD2  LYS   4           HD2      LYS  68  11.382  -3.694  15.303
  485    HD3  LYS   4           HD3      LYS  68  10.549  -2.137  15.242
  486    HE2  LYS   4           HE2      LYS  68   9.864  -4.447  17.134
  487    HE3  LYS   4           HE3      LYS  68  10.888  -3.076  17.560
  488    HZ1  LYS   4           HZ1      LYS  68   8.970  -1.597  17.164
  489    HZ2  LYS   4           HZ2      LYS  68   8.635  -2.696  18.319
  490    HZ3  LYS   4           HZ3      LYS  68   8.007  -2.880  16.826
  491    H    GLN   5           H        GLN  69   7.576  -4.276   9.818
  492    HA   GLN   5           HA       GLN  69   5.872  -1.955  10.408
  493    HB2  GLN   5           HB2      GLN  69   5.027  -2.183   8.208
  494    HB3  GLN   5           HB3      GLN  69   6.776  -2.401   8.144
  495    HG2  GLN   5           HG2      GLN  69   6.446  -4.873   7.961
  496    HG3  GLN   5           HG3      GLN  69   4.697  -4.646   8.042
  497   HE21  GLN   5          HE21      GLN  69   4.996  -5.933   5.900
  498   HE22  GLN   5          HE22      GLN  69   5.185  -4.937   4.463
  499    H    THR   6           H        THR  70   3.480  -2.066  10.247
  500    HA   THR   6           HA       THR  70   2.357  -4.056  12.014
  501    HB   THR   6           HB       THR  70   0.167  -2.970  11.388
  502    HG1  THR   6           HG1      THR  70   0.737  -2.187   9.324
  503   HG21  THR   6          HG21      THR  70   2.386  -1.080  12.283
  504   HG22  THR   6          HG22      THR  70   1.483  -2.202  13.329
  505   HG23  THR   6          HG23      THR  70   0.642  -0.858  12.539
  506    H    ALA   7           H        ALA  71   1.364  -5.940  11.609
  507    HA   ALA   7           HA       ALA  71   1.356  -7.053   8.921
  508    HB1  ALA   7           HB1      ALA  71   1.976  -8.386  10.897
  509    HB2  ALA   7           HB2      ALA  71   0.566  -9.087  10.081
  510    HB3  ALA   7           HB3      ALA  71   0.348  -8.161  11.578
  511    H    ARG   8           H        ARG  72  -0.437  -7.884   7.776
  512    HA   ARG   8           HA       ARG  72  -2.946  -6.395   7.895
  513    HB2  ARG   8           HB2      ARG  72  -1.847  -7.202   5.794
  514    HB3  ARG   8           HB3      ARG  72  -2.180  -8.869   6.278
  515    HG2  ARG   8           HG2      ARG  72  -4.615  -8.418   6.181
  516    HG3  ARG   8           HG3      ARG  72  -4.293  -6.717   5.788
  517    HD2  ARG   8           HD2      ARG  72  -3.128  -7.423   3.715
  518    HD3  ARG   8           HD3      ARG  72  -3.467  -9.125   4.109
  519    HE   ARG   8           HE       ARG  72  -5.933  -7.719   4.125
  520   HH11  ARG   8          HH11      ARG  72  -3.555  -8.693   1.738
  521   HH12  ARG   8          HH12      ARG  72  -4.727  -8.750   0.450
  522   HH21  ARG   8          HH21      ARG  72  -7.384  -7.803   2.432
  523   HH22  ARG   8          HH22      ARG  72  -6.843  -8.260   0.846
  524    H    LYS   9           H        LYS  73  -4.957  -7.106   8.566
  525    HA   LYS   9           HA       LYS  73  -5.110  -8.985  10.721
  526    HB2  LYS   9           HB2      LYS  73  -7.465  -8.541  10.767
  527    HB3  LYS   9           HB3      LYS  73  -6.584  -7.035  10.517
  528    HG2  LYS   9           HG2      LYS  73  -7.149  -7.112   8.084
  529    HG3  LYS   9           HG3      LYS  73  -8.040  -8.623   8.352
  530    HD2  LYS   9           HD2      LYS  73  -9.557  -7.443   9.931
  531    HD3  LYS   9           HD3      LYS  73  -8.673  -5.928   9.634
  532    HE2  LYS   9           HE2      LYS  73  -9.261  -6.051   7.221
  533    HE3  LYS   9           HE3      LYS  73 -10.123  -7.571   7.504
  534    HZ1  LYS   9           HZ1      LYS  73 -11.646  -5.669   7.484
  535    HZ2  LYS   9           HZ2      LYS  73 -10.857  -4.948   8.719
  536    HZ3  LYS   9           HZ3      LYS  73 -11.657  -6.355   8.965
  537    H    SER  10           H        SER  74  -6.375 -10.892  10.945
  538    HA   SER  10           HA       SER  74  -5.966 -12.856   8.835
  539    HB2  SER  10           HB2      SER  74  -6.865 -14.434  10.440
  540    HB3  SER  10           HB3      SER  74  -5.672 -13.389  11.221
  541    HG   SER  10           HG       SER  74  -7.539 -13.597  12.526
  542    H    THR  11           H        THR  75  -7.743 -14.378   8.206
  543    HA   THR  11           HA       THR  75  -9.952 -12.946   6.977
  544    HB   THR  11           HB       THR  75 -10.558 -15.207   6.099
  545    HG1  THR  11           HG1      THR  75  -9.807 -16.573   7.692
  546   HG21  THR  11          HG21      THR  75  -8.616 -15.474   4.662
  547   HG22  THR  11          HG22      THR  75  -7.611 -14.510   5.765
  548   HG23  THR  11          HG23      THR  75  -8.962 -13.751   4.894
  549    H    GLY  12           H        GLY  76  -9.673 -14.268  10.085
  550    HA2  GLY  12           HA2      GLY  76 -11.187 -14.577  11.803
  551    HA3  GLY  12           HA3      GLY  76 -12.441 -13.877  10.786
  Start of MODEL    7
    1    H1   GLY 811           H1       GLY   1  20.603   9.536  21.089
    2    H2   GLY 811           H2       GLY   1  20.577  10.088  19.557
    3    H3   GLY 811           H3       GLY   1  21.630  10.725  20.641
    4    HA2  GLY 811           HA2      GLY   1  22.801   8.576  20.819
    5    HA3  GLY 811           HA3      GLY   1  21.666   7.937  19.632
    6    HA   PRO 812           HA       PRO   2  25.038  10.456  17.260
    7    HB2  PRO 812           HB2      PRO   2  27.398   9.592  18.889
    8    HB3  PRO 812           HB3      PRO   2  27.035  11.207  18.221
    9    HG2  PRO 812           HG2      PRO   2  26.858  10.734  20.868
   10    HG3  PRO 812           HG3      PRO   2  25.601  11.723  20.044
   11    HD2  PRO 812           HD2      PRO   2  25.507   8.735  20.656
   12    HD3  PRO 812           HD3      PRO   2  24.330  10.006  21.106
   13    H    LEU 813           H        LEU   3  27.315   9.544  16.308
   14    HA   LEU 813           HA       LEU   3  26.720   7.100  15.000
   15    HB2  LEU 813           HB2      LEU   3  29.392   8.523  15.399
   16    HB3  LEU 813           HB3      LEU   3  29.191   7.080  14.427
   17    HG   LEU 813           HG       LEU   3  27.610   8.341  12.953
   18   HD11  LEU 813          HD11      LEU   3  26.908  10.224  14.259
   19   HD12  LEU 813          HD12      LEU   3  27.957  10.879  12.995
   20   HD13  LEU 813          HD13      LEU   3  28.598  10.683  14.631
   21   HD21  LEU 813          HD21      LEU   3  30.445   9.379  13.222
   22   HD22  LEU 813          HD22      LEU   3  29.416   9.492  11.779
   23   HD23  LEU 813          HD23      LEU   3  29.921   7.906  12.362
   24    H    GLY 814           H        GLY   4  27.597   5.005  15.254
   25    HA2  GLY 814           HA2      GLY   4  28.346   3.141  16.449
   26    HA3  GLY 814           HA3      GLY   4  29.125   4.206  17.621
   27    H    SER 815           H        SER   5  25.986   5.313  17.513
   28    HA   SER 815           HA       SER   5  24.807   3.294  19.367
   29    HB2  SER 815           HB2      SER   5  24.521   6.286  19.675
   30    HB3  SER 815           HB3      SER   5  24.050   5.044  20.838
   31    HG   SER 815           HG       SER   5  26.249   4.632  21.270
   32    H    VAL 816           H        VAL   6  24.478   4.995  16.498
   33    HA   VAL 816           HA       VAL   6  21.645   5.597  16.610
   34    HB   VAL 816           HB       VAL   6  23.897   5.977  14.871
   35   HG11  VAL 816          HG11      VAL   6  22.856   4.337  13.320
   36   HG12  VAL 816          HG12      VAL   6  22.906   6.019  12.731
   37   HG13  VAL 816          HG13      VAL   6  21.367   5.341  13.342
   38   HG21  VAL 816          HG21      VAL   6  22.685   7.706  15.829
   39   HG22  VAL 816          HG22      VAL   6  21.135   7.138  15.104
   40   HG23  VAL 816          HG23      VAL   6  22.435   7.748  14.078
   41    H    GLN 817           H        GLN   7  19.992   4.340  15.613
   42    HA   GLN 817           HA       GLN   7  20.565   1.533  14.939
   43    HB2  GLN 817           HB2      GLN   7  19.178   0.704  16.883
   44    HB3  GLN 817           HB3      GLN   7  20.831   1.236  17.203
   45    HG2  GLN 817           HG2      GLN   7  20.122   3.361  18.102
   46    HG3  GLN 817           HG3      GLN   7  18.456   3.037  17.742
   47   HE21  GLN 817          HE21      GLN   7  19.119   2.434  21.372
   48   HE22  GLN 817          HE22      GLN   7  19.019   3.785  20.257
   49    H    HIS 818           H        HIS   8  19.469   1.331  13.216
   50    HA   HIS 818           HA       HIS   8  16.815   2.570  12.871
   51    HB2  HIS 818           HB2      HIS   8  18.750   1.122  11.054
   52    HB3  HIS 818           HB3      HIS   8  17.120   1.612  10.575
   53    HD2  HIS 818           HD2      HIS   8  20.316   3.401  11.952
   54    HE1  HIS 818           HE1      HIS   8  17.873   6.315  10.008
   55    HE2  HIS 818           HE2      HIS   8  20.073   5.929  11.231
   56    H    VAL 819           H        VAL   9  16.230   1.147  14.747
   57    HA   VAL 819           HA       VAL   9  15.448  -1.517  14.697
   58    HB   VAL 819           HB       VAL   9  13.989   0.825  15.890
   59   HG11  VAL 819          HG11      VAL   9  13.200  -0.833  17.520
   60   HG12  VAL 819          HG12      VAL   9  14.011  -2.132  16.626
   61   HG13  VAL 819          HG13      VAL   9  12.625  -1.267  15.897
   62   HG21  VAL 819          HG21      VAL   9  15.255   0.204  17.939
   63   HG22  VAL 819          HG22      VAL   9  16.324   0.766  16.668
   64   HG23  VAL 819          HG23      VAL   9  16.191  -0.974  16.999
   65    H    GLY 820           H        GLY  10  14.544  -2.596  13.078
   66    HA2  GLY 820           HA2      GLY  10  12.752  -3.263  11.721
   67    HA3  GLY 820           HA3      GLY  10  12.119  -1.647  11.633
   68    H    PHE 821           H        PHE  11  15.546  -1.810  10.984
   69    HA   PHE 821           HA       PHE  11  15.067  -2.172   8.054
   70    HB2  PHE 821           HB2      PHE  11  16.775  -0.009   9.263
   71    HB3  PHE 821           HB3      PHE  11  16.616  -0.364   7.556
   72    HD1  PHE 821           HD1      PHE  11  14.668   0.334   6.275
   73    HD2  PHE 821           HD2      PHE  11  14.855   1.035  10.526
   74    HE1  PHE 821           HE1      PHE  11  12.769   1.940   6.108
   75    HE2  PHE 821           HE2      PHE  11  12.961   2.619  10.353
   76    HZ   PHE 821           HZ       PHE  11  11.920   3.079   8.140
   77    H    LYS 822           H        LYS  12  15.954  -4.045   7.784
   78    HA   LYS 822           HA       LYS  12  18.163  -5.053   9.343
   79    HB2  LYS 822           HB2      LYS  12  16.147  -6.291   8.831
   80    HB3  LYS 822           HB3      LYS  12  16.432  -6.177   7.103
   81    HG2  LYS 822           HG2      LYS  12  18.243  -7.771   7.217
   82    HG3  LYS 822           HG3      LYS  12  18.294  -7.746   8.941
   83    HD2  LYS 822           HD2      LYS  12  16.278  -8.893   9.211
   84    HD3  LYS 822           HD3      LYS  12  15.667  -8.444   7.604
   85    HE2  LYS 822           HE2      LYS  12  17.093  -9.900   6.499
   86    HE3  LYS 822           HE3      LYS  12  17.986 -10.362   7.974
   87    HZ1  LYS 822           HZ1      LYS  12  15.910 -11.387   8.807
   88    HZ2  LYS 822           HZ2      LYS  12  16.314 -12.048   7.374
   89    HZ3  LYS 822           HZ3      LYS  12  15.102 -10.967   7.442
   90    H    CYS 823           H        CYS  13  20.177  -5.826   8.496
   91    HA   CYS 823           HA       CYS  13  21.301  -4.635   6.047
   92    HB2  CYS 823           HB2      CYS  13  22.782  -4.783   7.927
   93    HB3  CYS 823           HB3      CYS  13  22.409  -6.477   8.184
   94    H    ASP 824           H        ASP  14  20.875  -5.523   4.048
   95    HA   ASP 824           HA       ASP  14  19.789  -8.178   3.741
   96    HB2  ASP 824           HB2      ASP  14  20.969  -6.253   1.698
   97    HB3  ASP 824           HB3      ASP  14  20.154  -7.752   1.295
   98    H    ASN 825           H        ASN  15  23.047  -7.269   4.237
   99    HA   ASN 825           HA       ASN  15  24.174  -9.502   2.633
  100    HB2  ASN 825           HB2      ASN  15  25.294  -7.282   2.652
  101    HB3  ASN 825           HB3      ASN  15  25.541  -7.456   4.386
  102   HD21  ASN 825          HD21      ASN  15  27.664  -7.804   4.702
  103   HD22  ASN 825          HD22      ASN  15  28.607  -9.002   3.804
  104    H    CYS 826           H        CYS  16  24.377  -8.459   6.120
  105    HA   CYS 826           HA       CYS  16  24.946 -11.302   6.805
  106    HB2  CYS 826           HB2      CYS  16  25.966 -10.549   8.772
  107    HB3  CYS 826           HB3      CYS  16  26.600  -9.594   7.445
  108    H    GLY 827           H        GLY  17  22.285  -9.149   6.915
  109    HA2  GLY 827           HA2      GLY  17  20.144  -9.728   7.473
  110    HA3  GLY 827           HA3      GLY  17  20.717 -11.200   8.194
  111    H    ILE 828           H        ILE  18  22.313  -8.477   9.667
  112    HA   ILE 828           HA       ILE  18  20.777  -8.677  12.109
  113    HB   ILE 828           HB       ILE  18  23.015  -7.901  12.318
  114   HG12  ILE 828          HG12      ILE  18  21.439  -5.350  12.820
  115   HG13  ILE 828          HG13      ILE  18  20.992  -6.819  13.659
  116   HG21  ILE 828          HG21      ILE  18  23.337  -6.767  10.107
  117   HG22  ILE 828          HG22      ILE  18  23.943  -5.825  11.455
  118   HG23  ILE 828          HG23      ILE  18  22.404  -5.391  10.678
  119   HD11  ILE 828          HD11      ILE  18  22.480  -5.491  15.038
  120   HD12  ILE 828          HD12      ILE  18  23.735  -5.517  13.782
  121   HD13  ILE 828          HD13      ILE  18  23.255  -7.025  14.604
  122    H    GLU 829           H        GLU  19  18.813  -8.342  12.213
  123    HA   GLU 829           HA       GLU  19  17.363  -6.826  10.519
  124    HB2  GLU 829           HB2      GLU  19  15.442  -7.523  11.536
  125    HB3  GLU 829           HB3      GLU  19  16.603  -8.799  11.488
  126    HG2  GLU 829           HG2      GLU  19  15.800  -7.193  13.951
  127    HG3  GLU 829           HG3      GLU  19  15.268  -8.816  13.563
  128    HA   PRO 830           HA       PRO  20  17.581  -2.940  11.675
  129    HB2  PRO 830           HB2      PRO  20  17.465  -1.908  13.992
  130    HB3  PRO 830           HB3      PRO  20  16.202  -3.122  13.532
  131    HG2  PRO 830           HG2      PRO  20  18.605  -3.446  15.259
  132    HG3  PRO 830           HG3      PRO  20  16.966  -4.108  15.514
  133    HD2  PRO 830           HD2      PRO  20  19.223  -5.392  14.256
  134    HD3  PRO 830           HD3      PRO  20  17.544  -5.966  14.232
  135    H    ILE 831           H        ILE  21  19.217  -1.810  10.837
  136    HA   ILE 831           HA       ILE  21  21.887  -2.463  11.644
  137    HB   ILE 831           HB       ILE  21  20.825  -0.340   9.778
  138   HG12  ILE 831          HG12      ILE  21  22.407  -2.734   8.875
  139   HG13  ILE 831          HG13      ILE  21  20.797  -3.113   9.485
  140   HG21  ILE 831          HG21      ILE  21  22.998   0.401  10.534
  141   HG22  ILE 831          HG22      ILE  21  23.223  -0.354   8.951
  142   HG23  ILE 831          HG23      ILE  21  23.676  -1.230  10.422
  143   HD11  ILE 831          HD11      ILE  21  20.905  -2.658   7.012
  144   HD12  ILE 831          HD12      ILE  21  21.375  -0.992   7.370
  145   HD13  ILE 831          HD13      ILE  21  19.786  -1.572   7.869
  146    H    GLN 832           H        GLN  22  22.782  -1.918  13.470
  147    HA   GLN 832           HA       GLN  22  22.408   0.744  14.594
  148    HB2  GLN 832           HB2      GLN  22  23.889  -1.587  15.836
  149    HB3  GLN 832           HB3      GLN  22  23.316  -0.110  16.617
  150    HG2  GLN 832           HG2      GLN  22  20.924  -0.985  15.660
  151    HG3  GLN 832           HG3      GLN  22  21.749  -2.534  15.693
  152   HE21  GLN 832          HE21      GLN  22  19.395  -1.748  17.281
  153   HE22  GLN 832          HE22      GLN  22  19.914  -1.770  18.955
  154    H    GLY 833           H        GLY  23  24.193   1.881  15.559
  155    HA2  GLY 833           HA2      GLY  23  26.201   3.045  15.472
  156    HA3  GLY 833           HA3      GLY  23  26.817   2.034  14.227
  157    H    VAL 834           H        VAL  24  25.964   2.258  12.072
  158    HA   VAL 834           HA       VAL  24  24.520   4.740  11.419
  159    HB   VAL 834           HB       VAL  24  25.938   5.245   9.551
  160   HG11  VAL 834          HG11      VAL  24  26.407   6.281  11.724
  161   HG12  VAL 834          HG12      VAL  24  27.844   6.174  10.680
  162   HG13  VAL 834          HG13      VAL  24  27.658   5.051  12.034
  163   HG21  VAL 834          HG21      VAL  24  27.807   3.045  10.389
  164   HG22  VAL 834          HG22      VAL  24  28.186   4.330   9.219
  165   HG23  VAL 834          HG23      VAL  24  26.909   3.179   8.839
  166    H    ARG 835           H        ARG  25  23.031   4.420   9.772
  167    HA   ARG 835           HA       ARG  25  22.836   1.666   8.625
  168    HB2  ARG 835           HB2      ARG  25  20.818   2.391   9.545
  169    HB3  ARG 835           HB3      ARG  25  20.909   3.973   8.764
  170    HG2  ARG 835           HG2      ARG  25  20.564   2.908   6.544
  171    HG3  ARG 835           HG3      ARG  25  20.451   1.313   7.329
  172    HD2  ARG 835           HD2      ARG  25  18.466   2.002   8.541
  173    HD3  ARG 835           HD3      ARG  25  18.708   3.694   8.047
  174    HE   ARG 835           HE       ARG  25  18.347   1.817   5.811
  175   HH11  ARG 835          HH11      ARG  25  16.828   2.021   4.522
  176   HH12  ARG 835          HH12      ARG  25  15.414   3.042   4.820
  177   HH21  ARG 835          HH21      ARG  25  16.541   3.849   8.041
  178   HH22  ARG 835          HH22      ARG  25  15.227   4.012   6.909
  179    H    TRP 836           H        TRP  26  23.885   1.172   6.809
  180    HA   TRP 836           HA       TRP  26  24.416   3.231   4.754
  181    HB2  TRP 836           HB2      TRP  26  25.196   0.394   5.313
  182    HB3  TRP 836           HB3      TRP  26  25.246   0.899   3.702
  183    HD1  TRP 836           HD1      TRP  26  27.038   0.926   6.885
  184    HE1  TRP 836           HE1      TRP  26  29.395   1.913   6.572
  185    HE3  TRP 836           HE3      TRP  26  26.273   3.392   2.480
  186    HZ2  TRP 836           HZ2      TRP  26  30.686   3.765   4.759
  187    HZ3  TRP 836           HZ3      TRP  26  28.096   4.740   1.453
  188    HH2  TRP 836           HH2      TRP  26  30.301   4.933   2.588
  189    H    HIS 837           H        HIS  27  22.362   3.870   4.111
  190    HA   HIS 837           HA       HIS  27  20.254   1.969   3.318
  191    HB2  HIS 837           HB2      HIS  27  19.592   4.026   4.342
  192    HB3  HIS 837           HB3      HIS  27  20.598   4.982   3.253
  193    HD2  HIS 837           HD2      HIS  27  19.264   6.220   1.478
  194    HE1  HIS 837           HE1      HIS  27  15.942   3.584   1.034
  195    HE2  HIS 837           HE2      HIS  27  16.955   5.796   0.278
  196    H    CYS 838           H        CYS  28  19.709   1.290   1.245
  197    HA   CYS 838           HA       CYS  28  21.512   1.882  -0.976
  198    HB2  CYS 838           HB2      CYS  28  19.190   0.083  -0.395
  199    HB3  CYS 838           HB3      CYS  28  19.502   0.418  -2.029
  200    H    GLN 839           H        GLN  29  21.414   3.754  -1.887
  201    HA   GLN 839           HA       GLN  29  19.376   5.711  -1.571
  202    HB2  GLN 839           HB2      GLN  29  21.890   5.484  -3.248
  203    HB3  GLN 839           HB3      GLN  29  20.925   6.861  -3.447
  204    HG2  GLN 839           HG2      GLN  29  21.909   5.996  -0.678
  205    HG3  GLN 839           HG3      GLN  29  22.865   6.990  -1.779
  206   HE21  GLN 839          HE21      GLN  29  21.932   9.106  -2.508
  207   HE22  GLN 839          HE22      GLN  29  20.753   9.881  -1.466
  208    H    ASP 840           H        ASP  30  19.732   3.311  -4.199
  209    HA   ASP 840           HA       ASP  30  17.818   4.902  -5.820
  210    HB2  ASP 840           HB2      ASP  30  20.436   4.056  -6.463
  211    HB3  ASP 840           HB3      ASP  30  19.389   3.007  -7.385
  212    H    CYS 841           H        CYS  31  18.522   1.712  -4.404
  213    HA   CYS 841           HA       CYS  31  16.553   0.293  -5.775
  214    HB2  CYS 841           HB2      CYS  31  16.910  -0.185  -2.877
  215    HB3  CYS 841           HB3      CYS  31  16.601  -1.289  -4.071
  216    HA   PRO 842           HA       PRO  32  12.835   2.389  -4.427
  217    HB2  PRO 842           HB2      PRO  32  10.972   0.690  -5.475
  218    HB3  PRO 842           HB3      PRO  32  12.224   1.406  -6.526
  219    HG2  PRO 842           HG2      PRO  32  12.288  -1.272  -5.101
  220    HG3  PRO 842           HG3      PRO  32  12.511  -1.002  -6.841
  221    HD2  PRO 842           HD2      PRO  32  14.677  -1.163  -5.283
  222    HD3  PRO 842           HD3      PRO  32  14.575   0.055  -6.586
  223    HA   PRO 843           HA       PRO  33  11.108   0.954  -0.545
  224    HB2  PRO 843           HB2      PRO  33   8.337   0.626  -1.611
  225    HB3  PRO 843           HB3      PRO  33   8.921   1.640  -0.262
  226    HG2  PRO 843           HG2      PRO  33   8.189   2.565  -2.745
  227    HG3  PRO 843           HG3      PRO  33   9.396   3.409  -1.709
  228    HD2  PRO 843           HD2      PRO  33   9.789   1.755  -4.151
  229    HD3  PRO 843           HD3      PRO  33  10.806   3.076  -3.499
  230    H    GLU 844           H        GLU  34  10.292  -0.970  -3.388
  231    HA   GLU 844           HA       GLU  34   8.976  -3.148  -2.032
  232    HB2  GLU 844           HB2      GLU  34  10.176  -2.583  -4.778
  233    HB3  GLU 844           HB3      GLU  34   9.672  -4.201  -4.437
  234    HG2  GLU 844           HG2      GLU  34   7.945  -1.675  -4.277
  235    HG3  GLU 844           HG3      GLU  34   7.975  -2.831  -5.604
  236    H    MET 845           H        MET  35  12.154  -2.329  -2.963
  237    HA   MET 845           HA       MET  35  13.490  -4.880  -2.317
  238    HB2  MET 845           HB2      MET  35  12.974  -4.502  -4.700
  239    HB3  MET 845           HB3      MET  35  13.566  -2.884  -4.610
  240    HG2  MET 845           HG2      MET  35  15.534  -3.569  -5.251
  241    HG3  MET 845           HG3      MET  35  15.684  -4.517  -3.792
  242    HE1  MET 845           HE1      MET  35  14.570  -8.107  -4.903
  243    HE2  MET 845           HE2      MET  35  13.540  -6.871  -4.153
  244    HE3  MET 845           HE3      MET  35  15.211  -7.105  -3.585
  245    H    SER 846           H        SER  36  13.015  -2.820  -0.543
  246    HA   SER 846           HA       SER  36  15.006  -0.710  -0.755
  247    HB2  SER 846           HB2      SER  36  14.011   0.059   1.408
  248    HB3  SER 846           HB3      SER  36  12.918  -0.140   0.021
  249    HG   SER 846           HG       SER  36  11.836  -1.625   1.103
  250    H    LEU 847           H        LEU  37  16.716  -2.271  -0.944
  251    HA   LEU 847           HA       LEU  37  17.753  -3.734   1.180
  252    HB2  LEU 847           HB2      LEU  37  19.027  -2.365  -1.169
  253    HB3  LEU 847           HB3      LEU  37  20.017  -3.066   0.098
  254    HG   LEU 847           HG       LEU  37  18.495  -5.178  -0.374
  255   HD11  LEU 847          HD11      LEU  37  18.584  -3.735  -3.003
  256   HD12  LEU 847          HD12      LEU  37  17.165  -4.339  -2.112
  257   HD13  LEU 847          HD13      LEU  37  18.293  -5.486  -2.837
  258   HD21  LEU 847          HD21      LEU  37  20.946  -5.127  -0.386
  259   HD22  LEU 847          HD22      LEU  37  20.915  -4.331  -1.960
  260   HD23  LEU 847          HD23      LEU  37  20.355  -6.015  -1.803
  261    H    ASP 848           H        ASP  38  19.383  -3.376   2.593
  262    HA   ASP 848           HA       ASP  38  20.558  -0.759   3.049
  263    HB2  ASP 848           HB2      ASP  38  19.259  -2.143   5.403
  264    HB3  ASP 848           HB3      ASP  38  20.156  -0.626   5.395
  265    H    PHE 849           H        PHE  39  22.431  -0.938   4.457
  266    HA   PHE 849           HA       PHE  39  23.447  -3.664   5.010
  267    HB2  PHE 849           HB2      PHE  39  24.963  -1.429   3.665
  268    HB3  PHE 849           HB3      PHE  39  25.708  -2.855   4.342
  269    HD1  PHE 849           HD1      PHE  39  23.390  -1.676   1.647
  270    HD2  PHE 849           HD2      PHE  39  25.814  -4.925   3.134
  271    HE1  PHE 849           HE1      PHE  39  23.238  -2.820  -0.550
  272    HE2  PHE 849           HE2      PHE  39  25.800  -5.953   0.864
  273    HZ   PHE 849           HZ       PHE  39  24.497  -4.911  -0.965
  274    H    CYS 850           H        CYS  40  25.013  -3.735   6.696
  275    HA   CYS 850           HA       CYS  40  24.991  -1.393   8.494
  276    HB2  CYS 850           HB2      CYS  40  25.827  -2.956  10.230
  277    HB3  CYS 850           HB3      CYS  40  24.297  -3.480   9.553
  278    H    ASP 851           H        ASP  41  27.123  -0.736   9.539
  279    HA   ASP 851           HA       ASP  41  28.896  -0.165   7.353
  280    HB2  ASP 851           HB2      ASP  41  28.505   1.353   9.148
  281    HB3  ASP 851           HB3      ASP  41  29.246   0.305  10.333
  282    H    SER 852           H        SER  42  28.820  -2.895   9.410
  283    HA   SER 852           HA       SER  42  31.505  -3.929   8.929
  284    HB2  SER 852           HB2      SER  42  28.817  -5.286   9.385
  285    HB3  SER 852           HB3      SER  42  30.334  -6.123   9.452
  286    HG   SER 852           HG       SER  42  30.918  -4.837  11.293
  287    H    CYS 853           H        CYS  43  28.553  -3.699   7.044
  288    HA   CYS 853           HA       CYS  43  29.407  -5.849   5.220
  289    HB2  CYS 853           HB2      CYS  43  26.698  -4.909   6.173
  290    HB3  CYS 853           HB3      CYS  43  26.895  -5.872   4.704
  291    H    SER 854           H        SER  44  28.734  -2.316   5.005
  292    HA   SER 854           HA       SER  44  27.631  -2.431   2.365
  293    HB2  SER 854           HB2      SER  44  28.189   0.037   2.365
  294    HB3  SER 854           HB3      SER  44  27.214  -0.577   3.688
  295    HG   SER 854           HG       SER  44  29.022   0.759   4.415
  296    H    ASP 855           H        ASP  45  30.881  -3.005   3.251
  297    HA   ASP 855           HA       ASP  45  32.162  -2.154   0.799
  298    HB2  ASP 855           HB2      ASP  45  33.302  -2.826   2.959
  299    HB3  ASP 855           HB3      ASP  45  32.840  -4.495   2.628
  300    H    CYS 856           H        CYS  46  29.713  -4.459   1.381
  301    HA   CYS 856           HA       CYS  46  30.417  -6.198  -0.932
  302    HB2  CYS 856           HB2      CYS  46  29.715  -7.323   1.075
  303    HB3  CYS 856           HB3      CYS  46  28.188  -6.419   1.130
  304    HG   CYS 856           HG       CYS  46  27.013  -7.532  -0.827
  305    H    LEU 857           H        LEU  47  29.156  -6.355  -2.715
  306    HA   LEU 857           HA       LEU  47  27.098  -4.290  -3.272
  307    HB2  LEU 857           HB2      LEU  47  29.482  -3.379  -3.645
  308    HB3  LEU 857           HB3      LEU  47  29.626  -4.562  -4.939
  309    HG   LEU 857           HG       LEU  47  27.482  -3.469  -5.938
  310   HD11  LEU 857          HD11      LEU  47  27.092  -1.125  -5.293
  311   HD12  LEU 857          HD12      LEU  47  28.304  -1.260  -4.000
  312   HD13  LEU 857          HD13      LEU  47  26.796  -2.193  -3.921
  313   HD21  LEU 857          HD21      LEU  47  29.703  -3.112  -6.914
  314   HD22  LEU 857          HD22      LEU  47  30.097  -1.907  -5.666
  315   HD23  LEU 857          HD23      LEU  47  28.848  -1.562  -6.871
  316    H    HIS 858           H        HIS  48  26.202  -6.608  -3.000
  317    HA   HIS 858           HA       HIS  48  26.336  -8.274  -5.423
  318    HB2  HIS 858           HB2      HIS  48  24.699  -9.671  -4.265
  319    HB3  HIS 858           HB3      HIS  48  26.147  -9.414  -3.312
  320    HD2  HIS 858           HD2      HIS  48  22.500  -9.502  -2.965
  321    HE1  HIS 858           HE1      HIS  48  23.784  -7.270   0.416
  322    HE2  HIS 858           HE2      HIS  48  21.838  -8.556  -0.613
  323    H    GLU 859           H        GLU  49  25.327  -7.994  -7.154
  324    HA   GLU 859           HA       GLU  49  23.191  -5.999  -7.233
  325    HB2  GLU 859           HB2      GLU  49  24.678  -7.304  -9.532
  326    HB3  GLU 859           HB3      GLU  49  23.596  -5.938  -9.582
  327    HG2  GLU 859           HG2      GLU  49  25.210  -4.546  -8.274
  328    HG3  GLU 859           HG3      GLU  49  26.298  -5.926  -8.184
  329    H    THR 860           H        THR  50  21.205  -6.321  -8.129
  330    HA   THR 860           HA       THR  50  20.256  -9.142  -8.365
  331    HB   THR 860           HB       THR  50  18.312  -8.620  -7.076
  332    HG1  THR 860           HG1      THR  50  17.906  -6.587  -6.266
  333   HG21  THR 860          HG21      THR  50  20.612  -7.370  -5.529
  334   HG22  THR 860          HG22      THR  50  20.333  -9.116  -5.698
  335   HG23  THR 860          HG23      THR  50  19.137  -8.105  -4.869
  336    H    ASP 861           H        ASP  51  17.509  -8.395  -8.939
  337    HA   ASP 861           HA       ASP  51  17.590  -7.594 -11.702
  338    HB2  ASP 861           HB2      ASP  51  15.315  -7.585  -9.684
  339    HB3  ASP 861           HB3      ASP  51  15.121  -7.347 -11.415
  340    H    ILE 862           H        ILE  52  17.684  -5.699  -8.776
  341    HA   ILE 862           HA       ILE  52  17.160  -3.162 -10.264
  342    HB   ILE 862           HB       ILE  52  16.090  -3.890  -7.520
  343   HG12  ILE 862          HG12      ILE  52  14.793  -3.796 -10.251
  344   HG13  ILE 862          HG13      ILE  52  14.831  -5.129  -9.104
  345   HG21  ILE 862          HG21      ILE  52  16.635  -1.580  -7.533
  346   HG22  ILE 862          HG22      ILE  52  14.906  -1.639  -7.868
  347   HG23  ILE 862          HG23      ILE  52  16.055  -1.357  -9.195
  348   HD11  ILE 862          HD11      ILE  52  12.619  -4.289  -9.069
  349   HD12  ILE 862          HD12      ILE  52  13.153  -2.618  -8.876
  350   HD13  ILE 862          HD13      ILE  52  13.378  -3.781  -7.543
  351    H    HIS 863           H        HIS  53  18.673  -4.580  -7.286
  352    HA   HIS 863           HA       HIS  53  20.195  -2.131  -6.752
  353    HB2  HIS 863           HB2      HIS  53  19.620  -3.672  -4.978
  354    HB3  HIS 863           HB3      HIS  53  20.474  -4.977  -5.753
  355    HD2  HIS 863           HD2      HIS  53  23.302  -4.171  -6.296
  356    HE1  HIS 863           HE1      HIS  53  23.514  -1.951  -2.709
  357    H    LYS 864           H        LYS  54  22.009  -1.545  -7.798
  358    HA   LYS 864           HA       LYS  54  23.558  -3.483  -9.432
  359    HB2  LYS 864           HB2      LYS  54  22.894  -0.698 -10.395
  360    HB3  LYS 864           HB3      LYS  54  23.749  -1.936 -11.288
  361    HG2  LYS 864           HG2      LYS  54  20.822  -2.027 -10.536
  362    HG3  LYS 864           HG3      LYS  54  21.439  -1.530 -12.105
  363    HD2  LYS 864           HD2      LYS  54  22.225  -3.694 -12.670
  364    HD3  LYS 864           HD3      LYS  54  22.102  -4.300 -11.008
  365    HE2  LYS 864           HE2      LYS  54  19.700  -4.136 -11.024
  366    HE3  LYS 864           HE3      LYS  54  19.692  -3.343 -12.590
  367    HZ1  LYS 864           HZ1      LYS  54  19.209  -5.615 -13.016
  368    HZ2  LYS 864           HZ2      LYS  54  20.408  -6.172 -12.050
  369    HZ3  LYS 864           HZ3      LYS  54  20.763  -5.450 -13.491
  370    H    GLU 865           H        GLU  55  25.679  -2.631 -10.049
  371    HA   GLU 865           HA       GLU  55  26.872  -1.030  -7.982
  372    HB2  GLU 865           HB2      GLU  55  28.820  -1.199  -9.234
  373    HB3  GLU 865           HB3      GLU  55  28.054  -2.761  -9.226
  374    HG2  GLU 865           HG2      GLU  55  27.199  -2.254 -11.570
  375    HG3  GLU 865           HG3      GLU  55  28.121  -0.755 -11.538
  376    H    ASP 866           H        ASP  56  24.864  -0.219 -10.515
  377    HA   ASP 866           HA       ASP  56  25.989   2.451 -11.178
  378    HB2  ASP 866           HB2      ASP  56  23.405   1.081 -12.041
  379    HB3  ASP 866           HB3      ASP  56  23.995   2.634 -12.631
  380    H    HIS 867           H        HIS  57  23.829   0.865  -9.029
  381    HA   HIS 867           HA       HIS  57  22.354   3.205  -8.101
  382    HB2  HIS 867           HB2      HIS  57  20.966   1.453  -7.932
  383    HB3  HIS 867           HB3      HIS  57  22.218   0.251  -7.945
  384    HD2  HIS 867           HD2      HIS  57  23.329  -0.397  -5.579
  385    HE1  HIS 867           HE1      HIS  57  20.481   1.734  -3.224
  386    H    GLN 868           H        GLN  58  22.521   3.606  -5.691
  387    HA   GLN 868           HA       GLN  58  25.393   3.781  -4.878
  388    HB2  GLN 868           HB2      GLN  58  23.279   5.942  -4.934
  389    HB3  GLN 868           HB3      GLN  58  24.893   6.137  -4.236
  390    HG2  GLN 868           HG2      GLN  58  24.315   5.497  -7.180
  391    HG3  GLN 868           HG3      GLN  58  24.627   7.084  -6.507
  392   HE21  GLN 868          HE21      GLN  58  26.237   3.812  -7.070
  393   HE22  GLN 868          HE22      GLN  58  27.831   4.545  -7.041
  394    H    LEU 869           H        LEU  59  25.937   4.154  -2.686
  395    HA   LEU 869           HA       LEU  59  23.866   3.340  -0.704
  396    HB2  LEU 869           HB2      LEU  59  26.883   3.087  -0.516
  397    HB3  LEU 869           HB3      LEU  59  25.672   2.437   0.573
  398    HG   LEU 869           HG       LEU  59  26.611   0.696  -0.615
  399   HD11  LEU 869          HD11      LEU  59  24.198   0.500  -0.192
  400   HD12  LEU 869          HD12      LEU  59  24.698  -0.421  -1.614
  401   HD13  LEU 869          HD13      LEU  59  23.861   1.116  -1.843
  402   HD21  LEU 869          HD21      LEU  59  26.788   0.274  -2.876
  403   HD22  LEU 869          HD22      LEU  59  27.413   1.911  -2.650
  404   HD23  LEU 869          HD23      LEU  59  25.790   1.642  -3.346
  405    H    GLU 870           H        GLU  60  23.783   4.442   1.319
  406    HA   GLU 870           HA       GLU  60  25.421   6.931   1.614
  407    HB2  GLU 870           HB2      GLU  60  23.424   7.609   0.525
  408    HB3  GLU 870           HB3      GLU  60  22.413   6.673   1.629
  409    HG2  GLU 870           HG2      GLU  60  22.191   8.995   2.142
  410    HG3  GLU 870           HG3      GLU  60  22.998   8.185   3.473
  411    HA   PRO 871           HA       PRO  61  25.394   5.211   5.846
  412    HB2  PRO 871           HB2      PRO  61  27.423   6.584   6.886
  413    HB3  PRO 871           HB3      PRO  61  27.680   5.317   5.668
  414    HG2  PRO 871           HG2      PRO  61  27.683   8.311   5.263
  415    HG3  PRO 871           HG3      PRO  61  28.785   7.083   4.568
  416    HD2  PRO 871           HD2      PRO  61  26.532   8.154   3.290
  417    HD3  PRO 871           HD3      PRO  61  27.278   6.592   2.871
  418    H    ILE 872           H        ILE  62  23.597   5.813   6.849
  419    HA   ILE 872           HA       ILE  62  22.937   8.599   7.513
  420    HB   ILE 872           HB       ILE  62  21.524   5.992   8.157
  421   HG12  ILE 872          HG12      ILE  62  20.991   8.076   5.990
  422   HG13  ILE 872          HG13      ILE  62  21.692   6.473   5.743
  423   HG21  ILE 872          HG21      ILE  62  19.595   7.439   8.736
  424   HG22  ILE 872          HG22      ILE  62  20.582   8.884   8.432
  425   HG23  ILE 872          HG23      ILE  62  20.965   7.785   9.776
  426   HD11  ILE 872          HD11      ILE  62  19.366   6.416   5.102
  427   HD12  ILE 872          HD12      ILE  62  18.850   7.043   6.667
  428   HD13  ILE 872          HD13      ILE  62  19.590   5.423   6.559
  429    H    TYR 873           H        TYR  63  23.992   9.515   9.115
  430    HA   TYR 873           HA       TYR  63  25.261   7.990  11.265
  431    HB2  TYR 873           HB2      TYR  63  25.199  10.932  10.472
  432    HB3  TYR 873           HB3      TYR  63  26.073  10.286  11.850
  433    HD1  TYR 873           HD1      TYR  63  27.687  11.774  10.178
  434    HD2  TYR 873           HD2      TYR  63  26.401   7.721   9.575
  435    HE1  TYR 873           HE1      TYR  63  29.828  11.271   8.975
  436    HE2  TYR 873           HE2      TYR  63  28.614   7.142   8.598
  437    HH   TYR 873           HH       TYR  63  31.143   9.634   8.004
  438    H    ARG 874           H        ARG  64  22.456   9.767  11.074
  439    HA   ARG 874           HA       ARG  64  21.914   9.742  14.023
  440    HB2  ARG 874           HB2      ARG  64  21.556  12.124  12.163
  441    HB3  ARG 874           HB3      ARG  64  21.035  12.059  13.841
  442    HG2  ARG 874           HG2      ARG  64  23.912  11.984  12.840
  443    HG3  ARG 874           HG3      ARG  64  23.114  13.338  13.621
  444    HD2  ARG 874           HD2      ARG  64  23.593  10.630  14.927
  445    HD3  ARG 874           HD3      ARG  64  24.645  12.028  15.137
  446    HE   ARG 874           HE       ARG  64  22.037  11.527  16.357
  447   HH11  ARG 874          HH11      ARG  64  21.079  13.041  17.692
  448   HH12  ARG 874          HH12      ARG  64  21.856  14.568  17.973
  449   HH21  ARG 874          HH21      ARG  64  24.394  14.061  15.735
  450   HH22  ARG 874          HH22      ARG  64  23.646  15.153  16.860
  451    H1   ALA   1           H1       ALA  65  16.873  -2.650   3.999
  452    H2   ALA   1           H2       ALA  65  17.539  -4.039   3.388
  453    H3   ALA   1           H3       ALA  65  17.308  -3.880   5.003
  454    HA   ALA   1           HA       ALA  65  15.165  -3.961   2.992
  455    HB1  ALA   1           HB1      ALA  65  16.341  -6.097   4.798
  456    HB2  ALA   1           HB2      ALA  65  16.034  -6.122   3.036
  457    HB3  ALA   1           HB3      ALA  65  14.676  -6.201   4.153
  458    H    ARG   2           H        ARG  66  13.223  -3.101   3.741
  459    HA   ARG   2           HA       ARG  66  12.855  -2.251   6.507
  460    HB2  ARG   2           HB2      ARG  66  10.917  -2.730   4.199
  461    HB3  ARG   2           HB3      ARG  66  10.421  -2.101   5.773
  462    HG2  ARG   2           HG2      ARG  66  11.798  -0.126   5.515
  463    HG3  ARG   2           HG3      ARG  66  12.508  -0.742   4.013
  464    HD2  ARG   2           HD2      ARG  66  10.230  -0.749   2.976
  465    HD3  ARG   2           HD3      ARG  66   9.576  -0.074   4.486
  466    HE   ARG   2           HE       ARG  66  11.748   1.537   3.411
  467   HH11  ARG   2          HH11      ARG  66  11.296   3.577   2.587
  468   HH12  ARG   2          HH12      ARG  66   9.683   3.970   2.082
  469   HH21  ARG   2          HH21      ARG  66   8.320   0.941   2.946
  470   HH22  ARG   2          HH22      ARG  66   8.027   2.537   2.318
  471    H    THR   3           H        THR  67  12.108  -3.329   8.234
  472    HA   THR   3           HA       THR  67  10.780  -5.999   7.926
  473    HB   THR   3           HB       THR  67  12.044  -6.797   9.892
  474    HG1  THR   3           HG1      THR  67  13.823  -5.570  10.589
  475   HG21  THR   3          HG21      THR  67  14.117  -7.253   8.822
  476   HG22  THR   3          HG22      THR  67  14.011  -5.776   7.820
  477   HG23  THR   3          HG23      THR  67  12.931  -7.166   7.518
  478    H    LYS   4           H        LYS  68  10.139  -2.956   8.995
  479    HA   LYS   4           HA       LYS  68   8.024  -3.976  10.780
  480    HB2  LYS   4           HB2      LYS  68  10.132  -3.272  12.137
  481    HB3  LYS   4           HB3      LYS  68   9.771  -1.631  11.645
  482    HG2  LYS   4           HG2      LYS  68   8.944  -1.985  13.864
  483    HG3  LYS   4           HG3      LYS  68   7.571  -1.767  12.792
  484    HD2  LYS   4           HD2      LYS  68   7.116  -3.499  14.439
  485    HD3  LYS   4           HD3      LYS  68   7.123  -4.212  12.828
  486    HE2  LYS   4           HE2      LYS  68   9.443  -5.053  13.201
  487    HE3  LYS   4           HE3      LYS  68   9.459  -4.292  14.801
  488    HZ1  LYS   4           HZ1      LYS  68   7.602  -6.472  13.971
  489    HZ2  LYS   4           HZ2      LYS  68   7.617  -5.773  15.450
  490    HZ3  LYS   4           HZ3      LYS  68   8.892  -6.657  14.954
  491    H    GLN   5           H        GLN  69   6.142  -2.747  10.801
  492    HA   GLN   5           HA       GLN  69   5.661  -1.244   8.414
  493    HB2  GLN   5           HB2      GLN  69   4.075  -2.791   9.579
  494    HB3  GLN   5           HB3      GLN  69   3.921  -1.629  10.885
  495    HG2  GLN   5           HG2      GLN  69   2.012  -1.515   9.389
  496    HG3  GLN   5           HG3      GLN  69   2.881   0.014   9.364
  497   HE21  GLN   5          HE21      GLN  69   3.241  -3.152   7.545
  498   HE22  GLN   5          HE22      GLN  69   3.244  -2.364   5.975
  499    H    THR   6           H        THR  70   6.342  -0.168  11.710
  500    HA   THR   6           HA       THR  70   6.458   1.839  12.743
  501    HB   THR   6           HB       THR  70   7.104   3.085  10.054
  502    HG1  THR   6           HG1      THR  70   8.371   1.246  10.322
  503   HG21  THR   6          HG21      THR  70   8.672   4.444  11.425
  504   HG22  THR   6          HG22      THR  70   8.077   3.652  12.900
  505   HG23  THR   6          HG23      THR  70   7.007   4.707  11.952
  506    H    ALA   7           H        ALA  71   3.950   1.080  12.460
  507    HA   ALA   7           HA       ALA  71   2.211   2.801  11.001
  508    HB1  ALA   7           HB1      ALA  71   1.632   0.917  13.333
  509    HB2  ALA   7           HB2      ALA  71   1.743   0.454  11.620
  510    HB3  ALA   7           HB3      ALA  71   0.450   1.535  12.161
  511    H    ARG   8           H        ARG  72   3.751   3.514  13.982
  512    HA   ARG   8           HA       ARG  72   1.621   5.039  15.251
  513    HB2  ARG   8           HB2      ARG  72   4.626   5.114  15.761
  514    HB3  ARG   8           HB3      ARG  72   3.380   5.765  16.810
  515    HG2  ARG   8           HG2      ARG  72   3.922   2.840  16.198
  516    HG3  ARG   8           HG3      ARG  72   4.161   3.680  17.720
  517    HD2  ARG   8           HD2      ARG  72   1.462   3.123  16.408
  518    HD3  ARG   8           HD3      ARG  72   2.194   2.205  17.731
  519    HE   ARG   8           HE       ARG  72   2.083   4.923  18.566
  520   HH11  ARG   8          HH11      ARG  72  -0.161   2.274  18.001
  521   HH12  ARG   8          HH12      ARG  72  -1.294   2.881  19.177
  522   HH21  ARG   8          HH21      ARG  72   0.596   5.654  19.993
  523   HH22  ARG   8          HH22      ARG  72  -0.858   4.733  20.302
  524    H    LYS   9           H        LYS  73   3.451   5.904  12.540
  525    HA   LYS   9           HA       LYS  73   3.966   8.671  12.931
  526    HB2  LYS   9           HB2      LYS  73   3.161   7.135  10.426
  527    HB3  LYS   9           HB3      LYS  73   3.611   8.846  10.422
  528    HG2  LYS   9           HG2      LYS  73   5.818   8.286  11.398
  529    HG3  LYS   9           HG3      LYS  73   5.402   6.561  11.352
  530    HD2  LYS   9           HD2      LYS  73   5.153   6.685   8.882
  531    HD3  LYS   9           HD3      LYS  73   5.528   8.424   8.930
  532    HE2  LYS   9           HE2      LYS  73   7.755   7.900   9.929
  533    HE3  LYS   9           HE3      LYS  73   7.393   6.169   9.816
  534    HZ1  LYS   9           HZ1      LYS  73   7.584   8.039   7.496
  535    HZ2  LYS   9           HZ2      LYS  73   7.234   6.449   7.374
  536    HZ3  LYS   9           HZ3      LYS  73   8.706   6.928   7.898
  537    H    SER  10           H        SER  74   2.814  10.464  12.976
  538    HA   SER  10           HA       SER  74   1.108  11.844  13.429
  539    HB2  SER  10           HB2      SER  74  -0.462  10.331  11.331
  540    HB3  SER  10           HB3      SER  74  -0.786  11.961  11.935
  541    HG   SER  10           HG       SER  74   0.416  11.996   9.966
  542    H    THR  11           H        THR  75   1.123   9.091  14.857
  543    HA   THR  11           HA       THR  75  -1.536   9.426  16.214
  544    HB   THR  11           HB       THR  75  -0.094   6.841  15.548
  545    HG1  THR  11           HG1      THR  75  -1.883   6.488  14.274
  546   HG21  THR  11          HG21      THR  75  -2.099   5.717  16.512
  547   HG22  THR  11          HG22      THR  75  -2.670   7.289  17.116
  548   HG23  THR  11          HG23      THR  75  -1.164   6.575  17.739
  549    H    GLY  12           H        GLY  76   1.856   8.313  16.651
  550    HA2  GLY  12           HA2      GLY  76   3.295   8.726  18.450
  551    HA3  GLY  12           HA3      GLY  76   1.983   9.477  19.356
  Start of MODEL    8
    1    H1   GLY 811           H1       GLY   1  23.484   8.720  22.816
    2    H2   GLY 811           H2       GLY   1  22.719   8.202  21.469
    3    H3   GLY 811           H3       GLY   1  23.440   9.675  21.490
    4    HA2  GLY 811           HA2      GLY   1  25.636   8.664  21.734
    5    HA3  GLY 811           HA3      GLY   1  24.857   7.083  21.710
    6    HA   PRO 812           HA       PRO   2  25.040   8.609  17.206
    7    HB2  PRO 812           HB2      PRO   2  26.840  10.422  16.505
    8    HB3  PRO 812           HB3      PRO   2  25.539  10.846  17.653
    9    HG2  PRO 812           HG2      PRO   2  28.316  10.134  18.348
   10    HG3  PRO 812           HG3      PRO   2  27.400  11.573  18.869
   11    HD2  PRO 812           HD2      PRO   2  27.554   9.190  20.333
   12    HD3  PRO 812           HD3      PRO   2  26.210  10.368  20.442
   13    H    LEU 813           H        LEU   3  26.485   8.367  15.294
   14    HA   LEU 813           HA       LEU   3  27.357   6.773  14.008
   15    HB2  LEU 813           HB2      LEU   3  29.825   6.824  15.766
   16    HB3  LEU 813           HB3      LEU   3  29.694   6.297  14.099
   17    HG   LEU 813           HG       LEU   3  30.773   8.284  13.946
   18   HD11  LEU 813          HD11      LEU   3  29.369   9.892  12.828
   19   HD12  LEU 813          HD12      LEU   3  27.908   9.201  13.551
   20   HD13  LEU 813          HD13      LEU   3  28.852   8.261  12.371
   21   HD21  LEU 813          HD21      LEU   3  28.882   9.618  15.868
   22   HD22  LEU 813          HD22      LEU   3  30.345  10.303  15.129
   23   HD23  LEU 813          HD23      LEU   3  30.473   8.949  16.270
   24    H    GLY 814           H        GLY   4  29.428   4.933  15.866
   25    HA2  GLY 814           HA2      GLY   4  28.332   2.520  15.784
   26    HA3  GLY 814           HA3      GLY   4  29.474   3.021  17.007
   27    H    SER 815           H        SER   5  26.363   4.526  17.305
   28    HA   SER 815           HA       SER   5  25.267   2.437  19.090
   29    HB2  SER 815           HB2      SER   5  25.046   5.347  19.819
   30    HB3  SER 815           HB3      SER   5  24.746   3.958  20.867
   31    HG   SER 815           HG       SER   5  26.989   3.578  20.989
   32    H    VAL 816           H        VAL   6  24.747   4.285  16.403
   33    HA   VAL 816           HA       VAL   6  21.946   4.909  16.936
   34    HB   VAL 816           HB       VAL   6  23.976   5.286  14.773
   35   HG11  VAL 816          HG11      VAL   6  22.084   4.335  13.508
   36   HG12  VAL 816          HG12      VAL   6  22.347   6.074  13.194
   37   HG13  VAL 816          HG13      VAL   6  20.997   5.538  14.248
   38   HG21  VAL 816          HG21      VAL   6  23.124   7.495  14.941
   39   HG22  VAL 816          HG22      VAL   6  23.412   6.894  16.578
   40   HG23  VAL 816          HG23      VAL   6  21.735   6.961  15.925
   41    H    GLN 817           H        GLN   7  20.263   3.789  15.774
   42    HA   GLN 817           HA       GLN   7  20.763   0.978  15.089
   43    HB2  GLN 817           HB2      GLN   7  19.324   0.225  17.069
   44    HB3  GLN 817           HB3      GLN   7  21.016   0.612  17.325
   45    HG2  GLN 817           HG2      GLN   7  20.485   2.822  18.239
   46    HG3  GLN 817           HG3      GLN   7  18.785   2.575  17.976
   47   HE21  GLN 817          HE21      GLN   7  19.523   3.325  20.410
   48   HE22  GLN 817          HE22      GLN   7  19.692   2.002  21.547
   49    H    HIS 818           H        HIS   8  19.730   1.099  13.300
   50    HA   HIS 818           HA       HIS   8  17.230   2.560  13.076
   51    HB2  HIS 818           HB2      HIS   8  19.070   1.092  11.192
   52    HB3  HIS 818           HB3      HIS   8  17.422   1.475  10.693
   53    HD2  HIS 818           HD2      HIS   8  20.345   3.508  12.272
   54    HE1  HIS 818           HE1      HIS   8  17.669   6.210  10.342
   55    HE2  HIS 818           HE2      HIS   8  19.765   6.062  11.713
   56    H    VAL 819           H        VAL   9  16.402   1.114  14.851
   57    HA   VAL 819           HA       VAL   9  15.372  -1.499  14.589
   58    HB   VAL 819           HB       VAL   9  14.434   0.838  16.229
   59   HG11  VAL 819          HG11      VAL   9  13.856  -2.144  16.551
   60   HG12  VAL 819          HG12      VAL   9  12.648  -0.894  16.164
   61   HG13  VAL 819          HG13      VAL   9  13.469  -0.874  17.731
   62   HG21  VAL 819          HG21      VAL   9  16.253  -1.529  16.855
   63   HG22  VAL 819          HG22      VAL   9  15.707  -0.308  18.023
   64   HG23  VAL 819          HG23      VAL   9  16.762   0.167  16.698
   65    H    GLY 820           H        GLY  10  14.824  -1.683  12.457
   66    HA2  GLY 820           HA2      GLY  10  12.478  -2.090  11.425
   67    HA3  GLY 820           HA3      GLY  10  12.391  -0.350  11.381
   68    H    PHE 821           H        PHE  11  15.646  -1.441  10.809
   69    HA   PHE 821           HA       PHE  11  15.199  -1.784   7.893
   70    HB2  PHE 821           HB2      PHE  11  17.101   0.303   8.967
   71    HB3  PHE 821           HB3      PHE  11  16.931  -0.178   7.305
   72    HD1  PHE 821           HD1      PHE  11  15.299   1.669  10.085
   73    HD2  PHE 821           HD2      PHE  11  15.089   0.592   5.913
   74    HE1  PHE 821           HE1      PHE  11  13.582   3.418   9.721
   75    HE2  PHE 821           HE2      PHE  11  13.378   2.361   5.555
   76    HZ   PHE 821           HZ       PHE  11  12.609   3.760   7.460
   77    H    LYS 822           H        LYS  12  16.010  -3.709   7.647
   78    HA   LYS 822           HA       LYS  12  18.197  -4.811   9.177
   79    HB2  LYS 822           HB2      LYS  12  16.197  -6.107   8.508
   80    HB3  LYS 822           HB3      LYS  12  16.566  -5.814   6.833
   81    HG2  LYS 822           HG2      LYS  12  18.724  -7.152   7.173
   82    HG3  LYS 822           HG3      LYS  12  18.155  -7.647   8.713
   83    HD2  LYS 822           HD2      LYS  12  16.512  -7.984   6.235
   84    HD3  LYS 822           HD3      LYS  12  17.756  -9.163   6.652
   85    HE2  LYS 822           HE2      LYS  12  16.624  -9.495   8.821
   86    HE3  LYS 822           HE3      LYS  12  15.302  -8.422   8.331
   87    HZ1  LYS 822           HZ1      LYS  12  16.039 -10.987   6.960
   88    HZ2  LYS 822           HZ2      LYS  12  14.825  -9.996   6.489
   89    HZ3  LYS 822           HZ3      LYS  12  14.737 -10.771   7.919
   90    H    CYS 823           H        CYS  13  20.235  -5.486   8.425
   91    HA   CYS 823           HA       CYS  13  21.367  -4.287   5.985
   92    HB2  CYS 823           HB2      CYS  13  22.849  -4.545   7.923
   93    HB3  CYS 823           HB3      CYS  13  22.476  -6.274   7.999
   94    H    ASP 824           H        ASP  14  20.687  -5.246   4.036
   95    HA   ASP 824           HA       ASP  14  19.594  -7.891   3.891
   96    HB2  ASP 824           HB2      ASP  14  20.755  -6.123   1.717
   97    HB3  ASP 824           HB3      ASP  14  19.855  -7.605   1.413
   98    H    ASN 825           H        ASN  15  22.910  -6.996   4.036
   99    HA   ASN 825           HA       ASN  15  23.895  -9.250   2.422
  100    HB2  ASN 825           HB2      ASN  15  25.025  -7.020   2.393
  101    HB3  ASN 825           HB3      ASN  15  25.410  -7.228   4.098
  102   HD21  ASN 825          HD21      ASN  15  27.450  -7.966   4.445
  103   HD22  ASN 825          HD22      ASN  15  28.278  -9.113   3.389
  104    H    CYS 826           H        CYS  16  24.172  -8.340   5.927
  105    HA   CYS 826           HA       CYS  16  24.800 -11.168   6.555
  106    HB2  CYS 826           HB2      CYS  16  25.826 -10.360   8.549
  107    HB3  CYS 826           HB3      CYS  16  26.480  -9.517   7.165
  108    H    GLY 827           H        GLY  17  22.167  -9.012   6.709
  109    HA2  GLY 827           HA2      GLY  17  20.027  -9.437   7.239
  110    HA3  GLY 827           HA3      GLY  17  20.419 -11.016   7.808
  111    H    ILE 828           H        ILE  18  22.113  -8.360   9.435
  112    HA   ILE 828           HA       ILE  18  20.662  -8.725  11.916
  113    HB   ILE 828           HB       ILE  18  22.837  -7.930  12.159
  114   HG12  ILE 828          HG12      ILE  18  21.380  -5.327  12.616
  115   HG13  ILE 828          HG13      ILE  18  20.784  -6.758  13.429
  116   HG21  ILE 828          HG21      ILE  18  23.813  -5.876  11.292
  117   HG22  ILE 828          HG22      ILE  18  22.291  -5.453  10.461
  118   HG23  ILE 828          HG23      ILE  18  23.241  -6.851   9.956
  119   HD11  ILE 828          HD11      ILE  18  22.319  -5.548  14.875
  120   HD12  ILE 828          HD12      ILE  18  23.622  -5.682  13.676
  121   HD13  ILE 828          HD13      ILE  18  22.981  -7.141  14.472
  122    H    GLU 829           H        GLU  19  18.582  -8.360  12.026
  123    HA   GLU 829           HA       GLU  19  17.154  -6.839  10.238
  124    HB2  GLU 829           HB2      GLU  19  15.692  -7.293  12.716
  125    HB3  GLU 829           HB3      GLU  19  15.225  -7.522  11.055
  126    HG2  GLU 829           HG2      GLU  19  16.618  -9.604  10.976
  127    HG3  GLU 829           HG3      GLU  19  16.977  -9.390  12.697
  128    HA   PRO 830           HA       PRO  20  17.516  -2.955  11.543
  129    HB2  PRO 830           HB2      PRO  20  17.424  -1.985  13.926
  130    HB3  PRO 830           HB3      PRO  20  16.081  -3.059  13.352
  131    HG2  PRO 830           HG2      PRO  20  18.400  -3.683  15.131
  132    HG3  PRO 830           HG3      PRO  20  16.690  -4.156  15.316
  133    HD2  PRO 830           HD2      PRO  20  18.834  -5.656  14.103
  134    HD3  PRO 830           HD3      PRO  20  17.100  -6.033  13.958
  135    H    ILE 831           H        ILE  21  19.212  -1.809  10.849
  136    HA   ILE 831           HA       ILE  21  21.846  -2.671  11.499
  137    HB   ILE 831           HB       ILE  21  20.801  -0.305   9.939
  138   HG12  ILE 831          HG12      ILE  21  22.355  -2.606   8.783
  139   HG13  ILE 831          HG13      ILE  21  20.717  -2.990   9.324
  140   HG21  ILE 831          HG21      ILE  21  22.992   0.389  10.648
  141   HG22  ILE 831          HG22      ILE  21  23.180  -0.276   9.026
  142   HG23  ILE 831          HG23      ILE  21  23.667  -1.237  10.427
  143   HD11  ILE 831          HD11      ILE  21  19.769  -1.318   7.833
  144   HD12  ILE 831          HD12      ILE  21  20.933  -2.283   6.899
  145   HD13  ILE 831          HD13      ILE  21  21.362  -0.662   7.464
  146    H    GLN 832           H        GLN  22  22.602  -2.488  13.482
  147    HA   GLN 832           HA       GLN  22  22.571   0.026  14.900
  148    HB2  GLN 832           HB2      GLN  22  23.960  -2.529  15.700
  149    HB3  GLN 832           HB3      GLN  22  23.658  -1.094  16.687
  150    HG2  GLN 832           HG2      GLN  22  21.072  -1.642  15.833
  151    HG3  GLN 832           HG3      GLN  22  21.746  -3.248  15.804
  152   HE21  GLN 832          HE21      GLN  22  19.594  -2.207  17.551
  153   HE22  GLN 832          HE22      GLN  22  20.209  -2.344  19.187
  154    H    GLY 833           H        GLY  23  24.241   1.230  15.536
  155    HA2  GLY 833           HA2      GLY  23  26.114   2.505  15.392
  156    HA3  GLY 833           HA3      GLY  23  26.898   1.503  14.211
  157    H    VAL 834           H        VAL  24  27.057   2.714  12.275
  158    HA   VAL 834           HA       VAL  24  24.868   4.597  11.604
  159    HB   VAL 834           HB       VAL  24  26.076   5.229   9.672
  160   HG11  VAL 834          HG11      VAL  24  26.612   6.315  11.801
  161   HG12  VAL 834          HG12      VAL  24  28.004   6.292  10.697
  162   HG13  VAL 834          HG13      VAL  24  27.947   5.159  12.063
  163   HG21  VAL 834          HG21      VAL  24  28.301   3.319  10.336
  164   HG22  VAL 834          HG22      VAL  24  28.300   4.544   9.063
  165   HG23  VAL 834          HG23      VAL  24  27.192   3.190   8.930
  166    H    ARG 835           H        ARG  25  23.378   4.381  10.022
  167    HA   ARG 835           HA       ARG  25  23.090   1.729   8.708
  168    HB2  ARG 835           HB2      ARG  25  21.076   2.495   9.644
  169    HB3  ARG 835           HB3      ARG  25  21.260   4.111   8.980
  170    HG2  ARG 835           HG2      ARG  25  20.898   3.230   6.683
  171    HG3  ARG 835           HG3      ARG  25  20.699   1.590   7.339
  172    HD2  ARG 835           HD2      ARG  25  18.717   2.266   8.555
  173    HD3  ARG 835           HD3      ARG  25  19.031   3.980   8.187
  174    HE   ARG 835           HE       ARG  25  18.599   2.187   5.858
  175   HH11  ARG 835          HH11      ARG  25  17.127   2.607   4.509
  176   HH12  ARG 835          HH12      ARG  25  15.848   3.785   4.812
  177   HH21  ARG 835          HH21      ARG  25  16.903   4.252   8.106
  178   HH22  ARG 835          HH22      ARG  25  15.707   4.672   6.914
  179    H    TRP 836           H        TRP  26  23.204   1.307   6.551
  180    HA   TRP 836           HA       TRP  26  24.272   3.468   4.771
  181    HB2  TRP 836           HB2      TRP  26  25.008   0.606   5.260
  182    HB3  TRP 836           HB3      TRP  26  25.247   1.219   3.723
  183    HD1  TRP 836           HD1      TRP  26  26.785   0.884   6.979
  184    HE1  TRP 836           HE1      TRP  26  29.129   1.953   6.997
  185    HE3  TRP 836           HE3      TRP  26  26.335   3.871   2.866
  186    HZ2  TRP 836           HZ2      TRP  26  30.562   3.946   5.495
  187    HZ3  TRP 836           HZ3      TRP  26  28.238   5.297   2.125
  188    HH2  TRP 836           HH2      TRP  26  30.340   5.356   3.441
  189    H    HIS 837           H        HIS  27  22.246   4.094   3.866
  190    HA   HIS 837           HA       HIS  27  20.277   2.074   2.982
  191    HB2  HIS 837           HB2      HIS  27  19.392   4.049   3.914
  192    HB3  HIS 837           HB3      HIS  27  20.439   5.089   2.953
  193    HD2  HIS 837           HD2      HIS  27  19.244   6.304   1.068
  194    HE1  HIS 837           HE1      HIS  27  16.090   3.548   0.265
  195    HE2  HIS 837           HE2      HIS  27  17.071   5.820  -0.341
  196    H    CYS 838           H        CYS  28  19.753   1.409   0.889
  197    HA   CYS 838           HA       CYS  28  21.680   1.946  -1.249
  198    HB2  CYS 838           HB2      CYS  28  19.574  -0.035  -0.601
  199    HB3  CYS 838           HB3      CYS  28  19.543   0.450  -2.252
  200    H    GLN 839           H        GLN  29  21.508   3.934  -2.016
  201    HA   GLN 839           HA       GLN  29  19.176   5.569  -2.096
  202    HB2  GLN 839           HB2      GLN  29  21.952   5.697  -3.267
  203    HB3  GLN 839           HB3      GLN  29  20.876   6.942  -3.684
  204    HG2  GLN 839           HG2      GLN  29  21.347   6.246  -0.754
  205    HG3  GLN 839           HG3      GLN  29  22.432   7.267  -1.683
  206   HE21  GLN 839          HE21      GLN  29  20.346   9.976  -0.584
  207   HE22  GLN 839          HE22      GLN  29  21.943   9.247  -0.440
  208    H    ASP 840           H        ASP  30  19.493   2.994  -3.996
  209    HA   ASP 840           HA       ASP  30  18.362   4.294  -6.423
  210    HB2  ASP 840           HB2      ASP  30  20.882   3.450  -6.365
  211    HB3  ASP 840           HB3      ASP  30  20.170   1.924  -6.748
  212    H    CYS 841           H        CYS  31  18.327   1.377  -4.322
  213    HA   CYS 841           HA       CYS  31  16.428  -0.055  -5.875
  214    HB2  CYS 841           HB2      CYS  31  16.468  -0.118  -2.904
  215    HB3  CYS 841           HB3      CYS  31  16.085  -1.384  -3.954
  216    HA   PRO 842           HA       PRO  32  12.642   2.247  -4.816
  217    HB2  PRO 842           HB2      PRO  32  10.770   0.453  -5.624
  218    HB3  PRO 842           HB3      PRO  32  12.004   1.034  -6.775
  219    HG2  PRO 842           HG2      PRO  32  12.086  -1.472  -5.063
  220    HG3  PRO 842           HG3      PRO  32  12.260  -1.401  -6.827
  221    HD2  PRO 842           HD2      PRO  32  14.447  -1.394  -5.251
  222    HD3  PRO 842           HD3      PRO  32  14.387  -0.399  -6.721
  223    HA   PRO 843           HA       PRO  33  11.216   1.153  -0.744
  224    HB2  PRO 843           HB2      PRO  33   8.339   0.811  -1.415
  225    HB3  PRO 843           HB3      PRO  33   9.120   2.012  -0.346
  226    HG2  PRO 843           HG2      PRO  33   8.085   2.609  -2.810
  227    HG3  PRO 843           HG3      PRO  33   9.519   3.475  -2.133
  228    HD2  PRO 843           HD2      PRO  33   9.407   1.240  -4.162
  229    HD3  PRO 843           HD3      PRO  33  10.448   2.702  -4.142
  230    H    GLU 844           H        GLU  34  10.097  -1.065  -3.273
  231    HA   GLU 844           HA       GLU  34   8.847  -2.957  -1.483
  232    HB2  GLU 844           HB2      GLU  34   8.643  -2.313  -4.150
  233    HB3  GLU 844           HB3      GLU  34   9.670  -3.730  -4.278
  234    HG2  GLU 844           HG2      GLU  34   8.030  -5.035  -2.973
  235    HG3  GLU 844           HG3      GLU  34   7.036  -3.596  -2.752
  236    H    MET 845           H        MET  35  11.924  -2.398  -2.669
  237    HA   MET 845           HA       MET  35  13.244  -4.966  -2.023
  238    HB2  MET 845           HB2      MET  35  12.580  -4.500  -4.423
  239    HB3  MET 845           HB3      MET  35  13.396  -2.979  -4.332
  240    HG2  MET 845           HG2      MET  35  15.286  -3.952  -5.034
  241    HG3  MET 845           HG3      MET  35  15.261  -4.864  -3.544
  242    HE1  MET 845           HE1      MET  35  12.904  -6.935  -3.753
  243    HE2  MET 845           HE2      MET  35  14.564  -7.343  -3.246
  244    HE3  MET 845           HE3      MET  35  13.751  -8.315  -4.494
  245    H    SER 846           H        SER  36  12.901  -2.587  -0.388
  246    HA   SER 846           HA       SER  36  14.896  -0.585  -0.832
  247    HB2  SER 846           HB2      SER  36  14.142   0.188   1.479
  248    HB3  SER 846           HB3      SER  36  12.890   0.047   0.234
  249    HG   SER 846           HG       SER  36  11.936  -1.497   1.352
  250    H    LEU 847           H        LEU  37  16.814  -1.968  -1.033
  251    HA   LEU 847           HA       LEU  37  17.863  -3.324   1.169
  252    HB2  LEU 847           HB2      LEU  37  19.179  -2.153  -1.251
  253    HB3  LEU 847           HB3      LEU  37  20.175  -2.528   0.113
  254    HG   LEU 847           HG       LEU  37  18.780  -4.849  -0.042
  255   HD11  LEU 847          HD11      LEU  37  19.234  -3.888  -2.824
  256   HD12  LEU 847          HD12      LEU  37  17.647  -4.236  -2.078
  257   HD13  LEU 847          HD13      LEU  37  18.796  -5.558  -2.369
  258   HD21  LEU 847          HD21      LEU  37  20.817  -5.767  -1.106
  259   HD22  LEU 847          HD22      LEU  37  21.225  -4.578   0.155
  260   HD23  LEU 847          HD23      LEU  37  21.303  -4.109  -1.544
  261    H    ASP 848           H        ASP  38  19.335  -2.979   2.600
  262    HA   ASP 848           HA       ASP  38  20.560  -0.389   3.072
  263    HB2  ASP 848           HB2      ASP  38  19.199  -1.773   5.390
  264    HB3  ASP 848           HB3      ASP  38  20.127  -0.271   5.413
  265    H    PHE 849           H        PHE  39  22.502  -0.644   4.258
  266    HA   PHE 849           HA       PHE  39  23.395  -3.391   4.858
  267    HB2  PHE 849           HB2      PHE  39  25.000  -1.193   3.572
  268    HB3  PHE 849           HB3      PHE  39  25.684  -2.652   4.239
  269    HD1  PHE 849           HD1      PHE  39  25.744  -1.440   1.316
  270    HD2  PHE 849           HD2      PHE  39  23.543  -4.665   3.152
  271    HE1  PHE 849           HE1      PHE  39  25.587  -2.597  -0.873
  272    HE2  PHE 849           HE2      PHE  39  23.349  -5.781   0.952
  273    HZ   PHE 849           HZ       PHE  39  24.385  -4.759  -1.062
  274    H    CYS 850           H        CYS  40  24.969  -3.555   6.511
  275    HA   CYS 850           HA       CYS  40  24.885  -1.292   8.403
  276    HB2  CYS 850           HB2      CYS  40  25.668  -2.876  10.097
  277    HB3  CYS 850           HB3      CYS  40  24.228  -3.511   9.303
  278    H    ASP 851           H        ASP  41  26.930  -0.814   9.634
  279    HA   ASP 851           HA       ASP  41  28.823   0.014   7.661
  280    HB2  ASP 851           HB2      ASP  41  28.196   1.232   9.701
  281    HB3  ASP 851           HB3      ASP  41  29.109   0.142  10.695
  282    H    SER 852           H        SER  42  28.576  -2.953   9.208
  283    HA   SER 852           HA       SER  42  31.366  -3.866   8.863
  284    HB2  SER 852           HB2      SER  42  28.722  -5.326   9.203
  285    HB3  SER 852           HB3      SER  42  30.245  -6.123   9.210
  286    HG   SER 852           HG       SER  42  30.801  -4.970  11.145
  287    H    CYS 853           H        CYS  43  28.410  -3.580   6.975
  288    HA   CYS 853           HA       CYS  43  29.315  -5.593   5.015
  289    HB2  CYS 853           HB2      CYS  43  26.638  -4.641   5.993
  290    HB3  CYS 853           HB3      CYS  43  26.795  -5.444   4.430
  291    H    SER 854           H        SER  44  28.542  -2.077   5.081
  292    HA   SER 854           HA       SER  44  27.629  -2.045   2.399
  293    HB2  SER 854           HB2      SER  44  27.191  -0.363   4.238
  294    HB3  SER 854           HB3      SER  44  28.741   0.372   3.769
  295    HG   SER 854           HG       SER  44  27.945   0.763   1.737
  296    H    ASP 855           H        ASP  45  30.838  -2.555   3.177
  297    HA   ASP 855           HA       ASP  45  32.102  -1.215   0.928
  298    HB2  ASP 855           HB2      ASP  45  32.860  -3.778   2.398
  299    HB3  ASP 855           HB3      ASP  45  33.897  -2.894   1.285
  300    H    CYS 856           H        CYS  46  29.851  -3.786   1.097
  301    HA   CYS 856           HA       CYS  46  30.756  -5.187  -1.327
  302    HB2  CYS 856           HB2      CYS  46  29.944  -6.346   0.756
  303    HB3  CYS 856           HB3      CYS  46  28.321  -5.708   0.423
  304    HG   CYS 856           HG       CYS  46  30.277  -7.793  -1.269
  305    H    LEU 857           H        LEU  47  29.313  -5.640  -3.067
  306    HA   LEU 857           HA       LEU  47  27.247  -3.651  -3.821
  307    HB2  LEU 857           HB2      LEU  47  29.579  -2.603  -4.052
  308    HB3  LEU 857           HB3      LEU  47  29.847  -3.753  -5.357
  309    HG   LEU 857           HG       LEU  47  27.757  -2.828  -6.454
  310   HD11  LEU 857          HD11      LEU  47  28.012  -0.699  -4.297
  311   HD12  LEU 857          HD12      LEU  47  26.606  -1.748  -4.590
  312   HD13  LEU 857          HD13      LEU  47  27.052  -0.526  -5.781
  313   HD21  LEU 857          HD21      LEU  47  30.010  -0.840  -5.882
  314   HD22  LEU 857          HD22      LEU  47  28.890  -0.760  -7.253
  315   HD23  LEU 857          HD23      LEU  47  30.039  -2.106  -7.127
  316    H    HIS 858           H        HIS  48  26.201  -5.806  -3.679
  317    HA   HIS 858           HA       HIS  48  26.558  -7.783  -5.816
  318    HB2  HIS 858           HB2      HIS  48  24.138  -7.246  -4.038
  319    HB3  HIS 858           HB3      HIS  48  24.454  -8.713  -4.944
  320    HD2  HIS 858           HD2      HIS  48  24.408  -7.643  -1.584
  321    HE1  HIS 858           HE1      HIS  48  27.506 -10.587  -1.583
  322    HE2  HIS 858           HE2      HIS  48  25.988  -9.200  -0.097
  323    H    GLU 859           H        GLU  49  24.822  -8.480  -7.170
  324    HA   GLU 859           HA       GLU  49  23.091  -6.322  -8.147
  325    HB2  GLU 859           HB2      GLU  49  24.502  -8.262  -9.978
  326    HB3  GLU 859           HB3      GLU  49  23.464  -6.913 -10.328
  327    HG2  GLU 859           HG2      GLU  49  25.275  -5.418  -9.183
  328    HG3  GLU 859           HG3      GLU  49  26.317  -6.823  -9.412
  329    H    THR 860           H        THR  50  21.155  -6.920  -7.721
  330    HA   THR 860           HA       THR  50  20.128  -9.712  -8.007
  331    HB   THR 860           HB       THR  50  18.289  -9.155  -6.698
  332    HG1  THR 860           HG1      THR  50  17.702  -7.121  -6.125
  333   HG21  THR 860          HG21      THR  50  19.112  -8.330  -4.577
  334   HG22  THR 860          HG22      THR  50  20.527  -7.599  -5.352
  335   HG23  THR 860          HG23      THR  50  20.348  -9.367  -5.315
  336    H    ASP 861           H        ASP  51  17.417  -9.004  -8.599
  337    HA   ASP 861           HA       ASP  51  17.468  -8.384 -11.422
  338    HB2  ASP 861           HB2      ASP  51  15.195  -8.400  -9.405
  339    HB3  ASP 861           HB3      ASP  51  15.002  -8.278 -11.153
  340    H    ILE 862           H        ILE  52  17.453  -6.330  -8.612
  341    HA   ILE 862           HA       ILE  52  16.761  -3.901 -10.238
  342    HB   ILE 862           HB       ILE  52  15.786  -4.618  -7.443
  343   HG12  ILE 862          HG12      ILE  52  14.495  -4.550 -10.165
  344   HG13  ILE 862          HG13      ILE  52  14.501  -5.839  -8.981
  345   HG21  ILE 862          HG21      ILE  52  16.291  -2.279  -7.410
  346   HG22  ILE 862          HG22      ILE  52  14.564  -2.390  -7.677
  347   HG23  ILE 862          HG23      ILE  52  15.652  -2.046  -9.050
  348   HD11  ILE 862          HD11      ILE  52  12.842  -3.305  -8.854
  349   HD12  ILE 862          HD12      ILE  52  13.010  -4.458  -7.500
  350   HD13  ILE 862          HD13      ILE  52  12.292  -4.973  -9.038
  351    H    HIS 863           H        HIS  53  18.337  -5.124  -7.267
  352    HA   HIS 863           HA       HIS  53  19.855  -2.646  -6.864
  353    HB2  HIS 863           HB2      HIS  53  19.095  -3.865  -4.986
  354    HB3  HIS 863           HB3      HIS  53  19.716  -5.375  -5.578
  355    HD2  HIS 863           HD2      HIS  53  22.248  -5.984  -5.139
  356    HE1  HIS 863           HE1      HIS  53  23.336  -2.479  -3.008
  357    H    LYS 864           H        LYS  54  21.963  -2.338  -7.622
  358    HA   LYS 864           HA       LYS  54  23.279  -4.357  -9.360
  359    HB2  LYS 864           HB2      LYS  54  22.534  -1.537 -10.249
  360    HB3  LYS 864           HB3      LYS  54  23.414  -2.713 -11.217
  361    HG2  LYS 864           HG2      LYS  54  20.537  -2.896 -10.328
  362    HG3  LYS 864           HG3      LYS  54  21.066  -2.353 -11.909
  363    HD2  LYS 864           HD2      LYS  54  21.916  -4.493 -12.540
  364    HD3  LYS 864           HD3      LYS  54  21.753  -5.153 -10.900
  365    HE2  LYS 864           HE2      LYS  54  19.336  -4.921 -10.966
  366    HE3  LYS 864           HE3      LYS  54  19.400  -4.148 -12.546
  367    HZ1  LYS 864           HZ1      LYS  54  20.099  -6.975 -11.940
  368    HZ2  LYS 864           HZ2      LYS  54  20.441  -6.274 -13.397
  369    HZ3  LYS 864           HZ3      LYS  54  18.893  -6.445 -12.916
  370    H    GLU 865           H        GLU  55  25.437  -3.438 -10.176
  371    HA   GLU 865           HA       GLU  55  26.737  -1.987  -8.029
  372    HB2  GLU 865           HB2      GLU  55  27.761  -2.537 -10.797
  373    HB3  GLU 865           HB3      GLU  55  28.681  -1.743  -9.507
  374    HG2  GLU 865           HG2      GLU  55  28.666  -3.802  -8.199
  375    HG3  GLU 865           HG3      GLU  55  27.559  -4.577  -9.330
  376    H    ASP 866           H        ASP  56  24.568  -0.877 -10.335
  377    HA   ASP 866           HA       ASP  56  25.698   1.756 -10.904
  378    HB2  ASP 866           HB2      ASP  56  22.809   0.798 -10.861
  379    HB3  ASP 866           HB3      ASP  56  23.382   2.323 -11.531
  380    H    HIS 867           H        HIS  57  24.778   0.334  -8.006
  381    HA   HIS 867           HA       HIS  57  23.152   2.216  -6.811
  382    HB2  HIS 867           HB2      HIS  57  24.570  -0.196  -6.014
  383    HB3  HIS 867           HB3      HIS  57  24.821   1.009  -4.792
  384    HD2  HIS 867           HD2      HIS  57  22.213  -1.165  -6.301
  385    HE1  HIS 867           HE1      HIS  57  19.983   1.518  -3.880
  386    H    GLN 868           H        GLN  58  23.467   3.301  -4.893
  387    HA   GLN 868           HA       GLN  58  26.029   4.586  -4.286
  388    HB2  GLN 868           HB2      GLN  58  23.466   6.083  -4.795
  389    HB3  GLN 868           HB3      GLN  58  24.879   6.793  -4.000
  390    HG2  GLN 868           HG2      GLN  58  24.839   5.674  -6.860
  391    HG3  GLN 868           HG3      GLN  58  24.644   7.354  -6.427
  392   HE21  GLN 868          HE21      GLN  58  27.074   4.740  -6.783
  393   HE22  GLN 868          HE22      GLN  58  28.425   5.849  -6.523
  394    H    LEU 869           H        LEU  59  26.459   4.489  -2.207
  395    HA   LEU 869           HA       LEU  59  24.334   3.490  -0.384
  396    HB2  LEU 869           HB2      LEU  59  27.357   3.218  -0.379
  397    HB3  LEU 869           HB3      LEU  59  26.326   2.718   0.947
  398    HG   LEU 869           HG       LEU  59  26.990   0.863  -0.387
  399   HD11  LEU 869          HD11      LEU  59  24.773  -0.194  -0.719
  400   HD12  LEU 869          HD12      LEU  59  24.008   1.387  -0.705
  401   HD13  LEU 869          HD13      LEU  59  24.813   0.774   0.769
  402   HD21  LEU 869          HD21      LEU  59  25.360   1.784  -2.734
  403   HD22  LEU 869          HD22      LEU  59  26.351   0.333  -2.584
  404   HD23  LEU 869          HD23      LEU  59  27.139   1.921  -2.633
  405    H    GLU 870           H        GLU  60  23.625   4.658   1.232
  406    HA   GLU 870           HA       GLU  60  24.856   7.348   1.629
  407    HB2  GLU 870           HB2      GLU  60  22.695   7.243   0.647
  408    HB3  GLU 870           HB3      GLU  60  22.030   6.359   2.015
  409    HG2  GLU 870           HG2      GLU  60  21.350   8.626   2.213
  410    HG3  GLU 870           HG3      GLU  60  22.554   8.345   3.451
  411    HA   PRO 871           HA       PRO  61  25.674   5.796   5.859
  412    HB2  PRO 871           HB2      PRO  61  27.353   7.781   6.666
  413    HB3  PRO 871           HB3      PRO  61  27.865   6.444   5.601
  414    HG2  PRO 871           HG2      PRO  61  27.087   9.273   4.853
  415    HG3  PRO 871           HG3      PRO  61  28.461   8.295   4.249
  416    HD2  PRO 871           HD2      PRO  61  26.048   8.573   2.897
  417    HD3  PRO 871           HD3      PRO  61  27.079   7.127   2.759
  418    H    ILE 872           H        ILE  62  24.330   6.094   7.455
  419    HA   ILE 872           HA       ILE  62  22.995   8.738   7.940
  420    HB   ILE 872           HB       ILE  62  21.939   5.905   7.891
  421   HG12  ILE 872          HG12      ILE  62  20.976   8.399   6.426
  422   HG13  ILE 872          HG13      ILE  62  22.125   7.255   5.750
  423   HG21  ILE 872          HG21      ILE  62  20.545   8.411   8.938
  424   HG22  ILE 872          HG22      ILE  62  20.995   6.974   9.889
  425   HG23  ILE 872          HG23      ILE  62  19.759   6.834   8.655
  426   HD11  ILE 872          HD11      ILE  62  19.951   6.767   4.867
  427   HD12  ILE 872          HD12      ILE  62  19.247   6.609   6.483
  428   HD13  ILE 872          HD13      ILE  62  20.464   5.429   5.915
  429    H    TYR 873           H        TYR  63  23.771   9.614   9.675
  430    HA   TYR 873           HA       TYR  63  25.006   8.019  11.828
  431    HB2  TYR 873           HB2      TYR  63  24.926  11.010  11.299
  432    HB3  TYR 873           HB3      TYR  63  25.819  10.183  12.572
  433    HD1  TYR 873           HD1      TYR  63  26.229   7.960   9.969
  434    HD2  TYR 873           HD2      TYR  63  27.366  11.951  11.115
  435    HE1  TYR 873           HE1      TYR  63  28.348   7.734   8.663
  436    HE2  TYR 873           HE2      TYR  63  29.443  11.762   9.741
  437    HH   TYR 873           HH       TYR  63  30.300   8.756   7.973
  438    H    ARG 874           H        ARG  64  21.999   8.682  11.525
  439    HA   ARG 874           HA       ARG  64  21.533   8.931  14.413
  440    HB2  ARG 874           HB2      ARG  64  20.058  10.789  14.386
  441    HB3  ARG 874           HB3      ARG  64  21.561  11.256  13.618
  442    HG2  ARG 874           HG2      ARG  64  20.020  12.229  12.193
  443    HG3  ARG 874           HG3      ARG  64  20.308  10.697  11.361
  444    HD2  ARG 874           HD2      ARG  64  18.247   9.807  12.651
  445    HD3  ARG 874           HD3      ARG  64  17.977  11.466  13.167
  446    HE   ARG 874           HE       ARG  64  17.288  12.050  11.023
  447   HH11  ARG 874          HH11      ARG  64  18.582   8.763  10.890
  448   HH12  ARG 874          HH12      ARG  64  17.856   8.494   9.315
  449   HH21  ARG 874          HH21      ARG  64  16.446  11.604   9.035
  450   HH22  ARG 874          HH22      ARG  64  16.688  10.053   8.290
  451    H1   ALA   1           H1       ALA  65  17.486  -3.716   3.366
  452    H2   ALA   1           H2       ALA  65  17.304  -3.528   4.979
  453    H3   ALA   1           H3       ALA  65  16.799  -2.337   3.953
  454    HA   ALA   1           HA       ALA  65  15.116  -3.744   3.021
  455    HB1  ALA   1           HB1      ALA  65  15.728  -5.904   3.075
  456    HB2  ALA   1           HB2      ALA  65  14.772  -5.934   4.567
  457    HB3  ALA   1           HB3      ALA  65  16.539  -5.809   4.661
  458    H    ARG   2           H        ARG  66  13.273  -2.618   3.734
  459    HA   ARG   2           HA       ARG  66  13.002  -1.629   6.427
  460    HB2  ARG   2           HB2      ARG  66  11.003  -2.128   4.185
  461    HB3  ARG   2           HB3      ARG  66  10.528  -1.467   5.758
  462    HG2  ARG   2           HG2      ARG  66  11.966   0.448   5.500
  463    HG3  ARG   2           HG3      ARG  66  12.676  -0.189   4.018
  464    HD2  ARG   2           HD2      ARG  66  11.099   1.485   3.383
  465    HD3  ARG   2           HD3      ARG  66  10.399  -0.058   2.922
  466    HE   ARG   2           HE       ARG  66   9.548   1.761   5.129
  467   HH11  ARG   2          HH11      ARG  66   7.563   1.446   6.113
  468   HH12  ARG   2          HH12      ARG  66   6.634   0.016   5.702
  469   HH21  ARG   2          HH21      ARG  66   8.760  -1.212   3.383
  470   HH22  ARG   2          HH22      ARG  66   7.281  -1.406   4.308
  471    H    THR   3           H        THR  67  12.065  -2.335   8.224
  472    HA   THR   3           HA       THR  67  10.649  -4.943   8.413
  473    HB   THR   3           HB       THR  67  12.064  -5.675  10.273
  474    HG1  THR   3           HG1      THR  67  14.108  -4.545  10.557
  475   HG21  THR   3          HG21      THR  67  13.957  -4.955   8.038
  476   HG22  THR   3          HG22      THR  67  12.760  -6.279   7.898
  477   HG23  THR   3          HG23      THR  67  14.019  -6.349   9.148
  478    H    LYS   4           H        LYS  68   9.937  -5.294  10.783
  479    HA   LYS   4           HA       LYS  68   8.654  -4.688  12.575
  480    HB2  LYS   4           HB2      LYS  68  10.590  -2.377  12.900
  481    HB3  LYS   4           HB3      LYS  68   9.694  -3.220  14.156
  482    HG2  LYS   4           HG2      LYS  68  12.018  -4.302  12.531
  483    HG3  LYS   4           HG3      LYS  68  12.041  -3.816  14.217
  484    HD2  LYS   4           HD2      LYS  68  10.559  -5.686  14.830
  485    HD3  LYS   4           HD3      LYS  68  10.409  -6.152  13.123
  486    HE2  LYS   4           HE2      LYS  68  12.905  -6.441  13.024
  487    HE3  LYS   4           HE3      LYS  68  12.988  -6.135  14.760
  488    HZ1  LYS   4           HZ1      LYS  68  12.910  -8.555  14.072
  489    HZ2  LYS   4           HZ2      LYS  68  11.369  -8.350  13.589
  490    HZ3  LYS   4           HZ3      LYS  68  11.752  -8.146  15.171
  491    H    GLN   5           H        GLN  69   7.392  -3.853  10.319
  492    HA   GLN   5           HA       GLN  69   6.688  -1.108  10.194
  493    HB2  GLN   5           HB2      GLN  69   5.081  -3.537   9.296
  494    HB3  GLN   5           HB3      GLN  69   4.756  -1.857   8.845
  495    HG2  GLN   5           HG2      GLN  69   7.175  -1.789   7.929
  496    HG3  GLN   5           HG3      GLN  69   7.151  -3.555   8.057
  497   HE21  GLN   5          HE21      GLN  69   4.815  -4.450   7.046
  498   HE22  GLN   5          HE22      GLN  69   4.507  -3.764   5.458
  499    H    THR   6           H        THR  70   5.246  -3.669  12.145
  500    HA   THR   6           HA       THR  70   3.825  -3.724  13.880
  501    HB   THR   6           HB       THR  70   4.217  -0.724  14.097
  502    HG1  THR   6           HG1      THR  70   6.148  -1.873  14.233
  503   HG21  THR   6          HG21      THR  70   3.241  -2.753  16.149
  504   HG22  THR   6          HG22      THR  70   2.350  -1.339  15.529
  505   HG23  THR   6          HG23      THR  70   3.783  -1.103  16.522
  506    H    ALA   7           H        ALA  71   1.633  -3.585  14.532
  507    HA   ALA   7           HA       ALA  71  -0.260  -3.255  12.405
  508    HB1  ALA   7           HB1      ALA  71  -1.905  -3.832  14.156
  509    HB2  ALA   7           HB2      ALA  71  -0.673  -3.586  15.410
  510    HB3  ALA   7           HB3      ALA  71  -0.497  -4.907  14.230
  511    H    ARG   8           H        ARG  72  -2.194  -1.899  12.450
  512    HA   ARG   8           HA       ARG  72  -1.594   0.915  12.690
  513    HB2  ARG   8           HB2      ARG  72  -4.246  -0.532  12.247
  514    HB3  ARG   8           HB3      ARG  72  -4.022   1.216  12.144
  515    HG2  ARG   8           HG2      ARG  72  -2.369   0.910  10.299
  516    HG3  ARG   8           HG3      ARG  72  -2.606  -0.841  10.392
  517    HD2  ARG   8           HD2      ARG  72  -3.913  -0.033   8.569
  518    HD3  ARG   8           HD3      ARG  72  -5.020  -0.527   9.865
  519    HE   ARG   8           HE       ARG  72  -4.368   2.301  10.009
  520   HH11  ARG   8          HH11      ARG  72  -5.892   3.844   9.506
  521   HH12  ARG   8          HH12      ARG  72  -7.264   3.423   8.527
  522   HH21  ARG   8          HH21      ARG  72  -6.411   0.114   8.184
  523   HH22  ARG   8          HH22      ARG  72  -7.569   1.360   7.810
  524    H    LYS   9           H        LYS  73  -2.373   2.486  14.041
  525    HA   LYS   9           HA       LYS  73  -2.639   1.821  16.834
  526    HB2  LYS   9           HB2      LYS  73  -1.555   3.875  15.865
  527    HB3  LYS   9           HB3      LYS  73  -3.161   4.482  15.434
  528    HG2  LYS   9           HG2      LYS  73  -3.785   4.534  17.836
  529    HG3  LYS   9           HG3      LYS  73  -2.254   3.769  18.267
  530    HD2  LYS   9           HD2      LYS  73  -2.111   6.110  18.764
  531    HD3  LYS   9           HD3      LYS  73  -1.027   5.764  17.411
  532    HE2  LYS   9           HE2      LYS  73  -2.730   6.643  15.817
  533    HE3  LYS   9           HE3      LYS  73  -3.848   6.926  17.155
  534    HZ1  LYS   9           HZ1      LYS  73  -2.258   8.543  18.064
  535    HZ2  LYS   9           HZ2      LYS  73  -2.667   8.961  16.541
  536    HZ3  LYS   9           HZ3      LYS  73  -1.214   8.279  16.834
  537    H    SER  10           H        SER  74  -4.372   1.964  18.235
  538    HA   SER  10           HA       SER  74  -6.973   1.261  17.340
  539    HB2  SER  10           HB2      SER  74  -6.145   2.436  20.024
  540    HB3  SER  10           HB3      SER  74  -7.633   1.537  19.682
  541    HG   SER  10           HG       SER  74  -6.008   0.188  20.599
  542    H    THR  11           H        THR  75  -8.983   2.369  17.433
  543    HA   THR  11           HA       THR  75  -8.907   5.110  16.494
  544    HB   THR  11           HB       THR  75 -11.393   4.871  16.432
  545    HG1  THR  11           HG1      THR  75 -11.820   3.444  18.075
  546   HG21  THR  11          HG21      THR  75 -10.004   4.163  14.514
  547   HG22  THR  11          HG22      THR  75 -11.462   3.170  14.687
  548   HG23  THR  11          HG23      THR  75  -9.888   2.525  15.195
  549    H    GLY  12           H        GLY  76  -9.280   3.774  19.673
  550    HA2  GLY  12           HA2      GLY  76  -9.503   4.772  21.757
  551    HA3  GLY  12           HA3      GLY  76  -9.311   6.347  20.988
  Start of MODEL    9
    1    H1   GLY 811           H1       GLY   1  19.980  10.218  18.868
    2    H2   GLY 811           H2       GLY   1  21.003  10.777  20.017
    3    H3   GLY 811           H3       GLY   1  19.869   9.667  20.405
    4    HA2  GLY 811           HA2      GLY   1  22.001   8.559  20.268
    5    HA3  GLY 811           HA3      GLY   1  20.901   7.993  19.013
    6    HA   PRO 812           HA       PRO   2  24.394  10.565  16.880
    7    HB2  PRO 812           HB2      PRO   2  26.782  10.764  18.127
    8    HB3  PRO 812           HB3      PRO   2  25.395  11.722  18.695
    9    HG2  PRO 812           HG2      PRO   2  26.361   9.167  19.802
   10    HG3  PRO 812           HG3      PRO   2  26.014  10.679  20.693
   11    HD2  PRO 812           HD2      PRO   2  24.198   8.628  20.489
   12    HD3  PRO 812           HD3      PRO   2  23.708  10.348  20.555
   13    H    LEU 813           H        LEU   3  26.657  10.037  16.002
   14    HA   LEU 813           HA       LEU   3  26.779   7.675  14.624
   15    HB2  LEU 813           HB2      LEU   3  28.121   9.594  14.077
   16    HB3  LEU 813           HB3      LEU   3  28.890   9.595  15.659
   17    HG   LEU 813           HG       LEU   3  30.178   7.605  15.077
   18   HD11  LEU 813          HD11      LEU   3  30.265   6.837  12.711
   19   HD12  LEU 813          HD12      LEU   3  28.863   7.874  12.351
   20   HD13  LEU 813          HD13      LEU   3  28.710   6.503  13.475
   21   HD21  LEU 813          HD21      LEU   3  31.659   8.646  13.455
   22   HD22  LEU 813          HD22      LEU   3  31.094   9.814  14.658
   23   HD23  LEU 813          HD23      LEU   3  30.388   9.815  13.019
   24    H    GLY 814           H        GLY   4  27.203   5.548  15.090
   25    HA2  GLY 814           HA2      GLY   4  28.093   3.673  16.141
   26    HA3  GLY 814           HA3      GLY   4  28.952   4.696  17.292
   27    H    SER 815           H        SER   5  25.731   5.711  17.325
   28    HA   SER 815           HA       SER   5  24.724   3.557  19.127
   29    HB2  SER 815           HB2      SER   5  24.063   6.464  19.528
   30    HB3  SER 815           HB3      SER   5  23.845   5.137  20.671
   31    HG   SER 815           HG       SER   5  26.331   6.339  19.942
   32    H    VAL 816           H        VAL   6  24.278   4.997  16.231
   33    HA   VAL 816           HA       VAL   6  21.411   5.464  16.318
   34    HB   VAL 816           HB       VAL   6  23.598   5.281  14.254
   35   HG11  VAL 816          HG11      VAL   6  20.699   5.506  13.623
   36   HG12  VAL 816          HG12      VAL   6  21.870   4.225  13.107
   37   HG13  VAL 816          HG13      VAL   6  22.063   5.916  12.534
   38   HG21  VAL 816          HG21      VAL   6  21.481   7.351  14.853
   39   HG22  VAL 816          HG22      VAL   6  22.967   7.519  13.860
   40   HG23  VAL 816          HG23      VAL   6  23.115   7.346  15.605
   41    H    GLN 817           H        GLN   7  19.879   4.042  15.542
   42    HA   GLN 817           HA       GLN   7  20.534   1.214  15.053
   43    HB2  GLN 817           HB2      GLN   7  19.195   0.523  17.087
   44    HB3  GLN 817           HB3      GLN   7  20.845   1.094  17.333
   45    HG2  GLN 817           HG2      GLN   7  20.095   3.292  18.073
   46    HG3  GLN 817           HG3      GLN   7  18.433   2.879  17.806
   47   HE21  GLN 817          HE21      GLN   7  18.979   3.837  20.212
   48   HE22  GLN 817          HE22      GLN   7  19.212   2.601  21.437
   49    H    HIS 818           H        HIS   8  19.448   1.201  13.231
   50    HA   HIS 818           HA       HIS   8  16.861   2.492  13.031
   51    HB2  HIS 818           HB2      HIS   8  18.627   0.976  11.111
   52    HB3  HIS 818           HB3      HIS   8  16.949   1.375  10.700
   53    HD2  HIS 818           HD2      HIS   8  19.983   3.453  12.037
   54    HE1  HIS 818           HE1      HIS   8  17.413   5.998   9.763
   55    HE2  HIS 818           HE2      HIS   8  19.526   5.918  11.115
   56    H    VAL 819           H        VAL   9  16.230   0.991  14.942
   57    HA   VAL 819           HA       VAL   9  15.486  -1.661  14.869
   58    HB   VAL 819           HB       VAL   9  14.062   0.627  16.200
   59   HG11  VAL 819          HG11      VAL   9  14.029  -2.361  16.807
   60   HG12  VAL 819          HG12      VAL   9  12.638  -1.414  16.189
   61   HG13  VAL 819          HG13      VAL   9  13.303  -1.085  17.799
   62   HG21  VAL 819          HG21      VAL   9  16.252  -1.268  17.152
   63   HG22  VAL 819          HG22      VAL   9  15.380  -0.100  18.172
   64   HG23  VAL 819          HG23      VAL   9  16.419   0.477  16.879
   65    H    GLY 820           H        GLY  10  14.556  -2.756  13.309
   66    HA2  GLY 820           HA2      GLY  10  12.695  -3.505  12.097
   67    HA3  GLY 820           HA3      GLY  10  12.040  -1.903  11.943
   68    H    PHE 821           H        PHE  11  15.435  -1.827  11.165
   69    HA   PHE 821           HA       PHE  11  14.876  -2.463   8.287
   70    HB2  PHE 821           HB2      PHE  11  16.505  -0.146   9.302
   71    HB3  PHE 821           HB3      PHE  11  16.370  -0.641   7.630
   72    HD1  PHE 821           HD1      PHE  11  14.278  -0.358   6.357
   73    HD2  PHE 821           HD2      PHE  11  14.629   1.019  10.429
   74    HE1  PHE 821           HE1      PHE  11  12.283   1.103   6.040
   75    HE2  PHE 821           HE2      PHE  11  12.633   2.466  10.114
   76    HZ   PHE 821           HZ       PHE  11  11.463   2.509   7.917
   77    H    LYS 822           H        LYS  12  15.855  -4.233   7.885
   78    HA   LYS 822           HA       LYS  12  18.091  -5.251   9.370
   79    HB2  LYS 822           HB2      LYS  12  16.149  -6.620   8.690
   80    HB3  LYS 822           HB3      LYS  12  16.478  -6.280   7.003
   81    HG2  LYS 822           HG2      LYS  12  18.775  -7.462   7.488
   82    HG3  LYS 822           HG3      LYS  12  17.973  -8.151   8.878
   83    HD2  LYS 822           HD2      LYS  12  16.928  -8.301   6.034
   84    HD3  LYS 822           HD3      LYS  12  18.062  -9.481   6.664
   85    HE2  LYS 822           HE2      LYS  12  16.551 -10.087   8.461
   86    HE3  LYS 822           HE3      LYS  12  15.325  -8.933   7.902
   87    HZ1  LYS 822           HZ1      LYS  12  14.852 -11.196   7.094
   88    HZ2  LYS 822           HZ2      LYS  12  16.293 -11.309   6.350
   89    HZ3  LYS 822           HZ3      LYS  12  15.173 -10.239   5.814
   90    H    CYS 823           H        CYS  13  20.215  -5.778   8.580
   91    HA   CYS 823           HA       CYS  13  21.320  -4.510   6.163
   92    HB2  CYS 823           HB2      CYS  13  22.784  -4.724   8.097
   93    HB3  CYS 823           HB3      CYS  13  22.400  -6.433   8.257
   94    H    ASP 824           H        ASP  14  20.929  -5.389   4.138
   95    HA   ASP 824           HA       ASP  14  19.865  -8.018   3.750
   96    HB2  ASP 824           HB2      ASP  14  21.111  -6.027   1.817
   97    HB3  ASP 824           HB3      ASP  14  20.363  -7.539   1.317
   98    H    ASN 825           H        ASN  15  23.144  -7.187   4.331
   99    HA   ASN 825           HA       ASN  15  24.220  -9.474   2.779
  100    HB2  ASN 825           HB2      ASN  15  25.450  -7.299   2.844
  101    HB3  ASN 825           HB3      ASN  15  25.669  -7.525   4.571
  102   HD21  ASN 825          HD21      ASN  15  27.745  -8.129   4.936
  103   HD22  ASN 825          HD22      ASN  15  28.612  -9.341   3.976
  104    H    CYS 826           H        CYS  16  24.410  -8.441   6.274
  105    HA   CYS 826           HA       CYS  16  24.936 -11.279   6.964
  106    HB2  CYS 826           HB2      CYS  16  25.933 -10.488   8.969
  107    HB3  CYS 826           HB3      CYS  16  26.643  -9.658   7.592
  108    H    GLY 827           H        GLY  17  22.279  -9.175   6.948
  109    HA2  GLY 827           HA2      GLY  17  20.150  -9.607   7.542
  110    HA3  GLY 827           HA3      GLY  17  20.625 -11.160   8.152
  111    H    ILE 828           H        ILE  18  22.258  -8.438   9.688
  112    HA   ILE 828           HA       ILE  18  20.796  -8.733  12.190
  113    HB   ILE 828           HB       ILE  18  23.004  -7.890  12.404
  114   HG12  ILE 828          HG12      ILE  18  21.407  -5.343  12.792
  115   HG13  ILE 828          HG13      ILE  18  20.977  -6.779  13.692
  116   HG21  ILE 828          HG21      ILE  18  23.904  -5.835  11.459
  117   HG22  ILE 828          HG22      ILE  18  22.365  -5.458  10.663
  118   HG23  ILE 828          HG23      ILE  18  23.327  -6.847  10.152
  119   HD11  ILE 828          HD11      ILE  18  23.700  -5.428  13.766
  120   HD12  ILE 828          HD12      ILE  18  23.251  -6.917  14.643
  121   HD13  ILE 828          HD13      ILE  18  22.447  -5.380  15.021
  122    H    GLU 829           H        GLU  19  18.827  -8.424  12.357
  123    HA   GLU 829           HA       GLU  19  17.356  -6.976  10.539
  124    HB2  GLU 829           HB2      GLU  19  15.403  -7.667  11.585
  125    HB3  GLU 829           HB3      GLU  19  16.583  -8.945  11.538
  126    HG2  GLU 829           HG2      GLU  19  17.118  -8.369  13.985
  127    HG3  GLU 829           HG3      GLU  19  15.690  -7.321  13.958
  128    HA   PRO 830           HA       PRO  20  17.547  -3.084  11.751
  129    HB2  PRO 830           HB2      PRO  20  17.486  -2.046  14.057
  130    HB3  PRO 830           HB3      PRO  20  16.202  -3.249  13.619
  131    HG2  PRO 830           HG2      PRO  20  18.629  -3.626  15.311
  132    HG3  PRO 830           HG3      PRO  20  16.990  -4.252  15.597
  133    HD2  PRO 830           HD2      PRO  20  19.195  -5.569  14.292
  134    HD3  PRO 830           HD3      PRO  20  17.503  -6.111  14.288
  135    H    ILE 831           H        ILE  21  19.156  -1.935  10.903
  136    HA   ILE 831           HA       ILE  21  21.865  -2.525  11.596
  137    HB   ILE 831           HB       ILE  21  20.616  -0.374   9.886
  138   HG12  ILE 831          HG12      ILE  21  22.370  -2.600   8.860
  139   HG13  ILE 831          HG13      ILE  21  20.794  -3.107   9.464
  140   HG21  ILE 831          HG21      ILE  21  22.718   0.558  10.558
  141   HG22  ILE 831          HG22      ILE  21  22.993  -0.157   8.969
  142   HG23  ILE 831          HG23      ILE  21  23.550  -1.005  10.422
  143   HD11  ILE 831          HD11      ILE  21  19.661  -1.594   7.913
  144   HD12  ILE 831          HD12      ILE  21  20.863  -2.543   7.007
  145   HD13  ILE 831          HD13      ILE  21  21.198  -0.860   7.437
  146    H    GLN 832           H        GLN  22  22.646  -2.108  13.548
  147    HA   GLN 832           HA       GLN  22  22.416   0.555  14.688
  148    HB2  GLN 832           HB2      GLN  22  23.920  -1.812  15.820
  149    HB3  GLN 832           HB3      GLN  22  23.484  -0.305  16.635
  150    HG2  GLN 832           HG2      GLN  22  20.973  -1.139  15.845
  151    HG3  GLN 832           HG3      GLN  22  21.768  -2.694  15.879
  152   HE21  GLN 832          HE21      GLN  22  19.532  -1.793  17.599
  153   HE22  GLN 832          HE22      GLN  22  20.170  -1.807  19.230
  154    H    GLY 833           H        GLY  23  24.141   1.794  15.408
  155    HA2  GLY 833           HA2      GLY  23  26.409   2.580  15.452
  156    HA3  GLY 833           HA3      GLY  23  26.772   1.654  14.012
  157    H    VAL 834           H        VAL  24  25.739   2.198  12.082
  158    HA   VAL 834           HA       VAL  24  24.405   4.775  11.651
  159    HB   VAL 834           HB       VAL  24  25.804   5.257   9.692
  160   HG11  VAL 834          HG11      VAL  24  26.207   6.438  11.760
  161   HG12  VAL 834          HG12      VAL  24  27.729   6.169  10.868
  162   HG13  VAL 834          HG13      VAL  24  27.374   5.172  12.264
  163   HG21  VAL 834          HG21      VAL  24  27.760   3.190  10.668
  164   HG22  VAL 834          HG22      VAL  24  28.052   4.379   9.390
  165   HG23  VAL 834          HG23      VAL  24  26.841   3.136   9.130
  166    H    ARG 835           H        ARG  25  23.037   4.654   9.801
  167    HA   ARG 835           HA       ARG  25  22.671   1.930   8.643
  168    HB2  ARG 835           HB2      ARG  25  20.717   3.049   9.394
  169    HB3  ARG 835           HB3      ARG  25  21.046   4.479   8.414
  170    HG2  ARG 835           HG2      ARG  25  20.618   3.249   6.351
  171    HG3  ARG 835           HG3      ARG  25  20.533   1.704   7.242
  172    HD2  ARG 835           HD2      ARG  25  18.612   2.463   8.500
  173    HD3  ARG 835           HD3      ARG  25  18.679   4.073   7.740
  174    HE   ARG 835           HE       ARG  25  18.380   2.069   5.707
  175   HH11  ARG 835          HH11      ARG  25  16.579   1.537   4.848
  176   HH12  ARG 835          HH12      ARG  25  15.016   2.113   5.455
  177   HH21  ARG 835          HH21      ARG  25  16.465   3.457   8.319
  178   HH22  ARG 835          HH22      ARG  25  14.971   3.090   7.500
  179    H    TRP 836           H        TRP  26  23.485   1.281   6.750
  180    HA   TRP 836           HA       TRP  26  24.473   3.320   4.803
  181    HB2  TRP 836           HB2      TRP  26  25.164   0.489   5.489
  182    HB3  TRP 836           HB3      TRP  26  25.388   0.979   3.881
  183    HD1  TRP 836           HD1      TRP  26  26.868   1.043   7.229
  184    HE1  TRP 836           HE1      TRP  26  29.244   2.022   7.108
  185    HE3  TRP 836           HE3      TRP  26  26.545   3.370   2.704
  186    HZ2  TRP 836           HZ2      TRP  26  30.704   3.839   5.405
  187    HZ3  TRP 836           HZ3      TRP  26  28.491   4.631   1.792
  188    HH2  TRP 836           HH2      TRP  26  30.554   4.895   3.143
  189    H    HIS 837           H        HIS  27  22.552   3.987   3.875
  190    HA   HIS 837           HA       HIS  27  20.407   2.106   3.145
  191    HB2  HIS 837           HB2      HIS  27  19.843   4.297   3.991
  192    HB3  HIS 837           HB3      HIS  27  20.876   5.088   2.802
  193    HD2  HIS 837           HD2      HIS  27  17.736   2.739   2.646
  194    HE1  HIS 837           HE1      HIS  27  17.327   5.720  -0.377
  195    HE2  HIS 837           HE2      HIS  27  16.217   3.717   0.725
  196    H    CYS 838           H        CYS  28  19.796   1.390   1.049
  197    HA   CYS 838           HA       CYS  28  21.701   1.800  -1.107
  198    HB2  CYS 838           HB2      CYS  28  19.359   0.085  -0.508
  199    HB3  CYS 838           HB3      CYS  28  19.507   0.471  -2.172
  200    H    GLN 839           H        GLN  29  21.764   3.720  -1.963
  201    HA   GLN 839           HA       GLN  29  19.886   5.788  -1.910
  202    HB2  GLN 839           HB2      GLN  29  22.203   5.174  -3.803
  203    HB3  GLN 839           HB3      GLN  29  21.398   6.647  -3.911
  204    HG2  GLN 839           HG2      GLN  29  21.909   6.861  -1.294
  205    HG3  GLN 839           HG3      GLN  29  23.147   5.665  -1.662
  206   HE21  GLN 839          HE21      GLN  29  25.123   6.856  -1.753
  207   HE22  GLN 839          HE22      GLN  29  25.233   8.432  -2.498
  208    H    ASP 840           H        ASP  30  20.011   3.137  -4.239
  209    HA   ASP 840           HA       ASP  30  18.527   4.721  -6.272
  210    HB2  ASP 840           HB2      ASP  30  20.724   3.449  -6.708
  211    HB3  ASP 840           HB3      ASP  30  19.779   1.986  -6.543
  212    H    CYS 841           H        CYS  31  18.459   1.678  -4.403
  213    HA   CYS 841           HA       CYS  31  16.377   0.497  -5.742
  214    HB2  CYS 841           HB2      CYS  31  16.900  -0.208  -2.907
  215    HB3  CYS 841           HB3      CYS  31  16.532  -1.213  -4.152
  216    HA   PRO 842           HA       PRO  32  12.768   2.589  -4.272
  217    HB2  PRO 842           HB2      PRO  32  10.839   0.969  -5.306
  218    HB3  PRO 842           HB3      PRO  32  12.120   1.615  -6.369
  219    HG2  PRO 842           HG2      PRO  32  12.088  -1.044  -4.902
  220    HG3  PRO 842           HG3      PRO  32  12.292  -0.822  -6.655
  221    HD2  PRO 842           HD2      PRO  32  14.475  -1.031  -5.131
  222    HD3  PRO 842           HD3      PRO  32  14.394   0.166  -6.458
  223    HA   PRO 843           HA       PRO  33  11.119   1.146  -0.369
  224    HB2  PRO 843           HB2      PRO  33   8.274   0.949  -1.242
  225    HB3  PRO 843           HB3      PRO  33   9.003   1.977   0.019
  226    HG2  PRO 843           HG2      PRO  33   8.124   2.899  -2.407
  227    HG3  PRO 843           HG3      PRO  33   9.528   3.653  -1.557
  228    HD2  PRO 843           HD2      PRO  33   9.482   1.661  -3.824
  229    HD3  PRO 843           HD3      PRO  33  10.548   3.096  -3.604
  230    H    GLU 844           H        GLU  34  10.194  -0.722  -3.208
  231    HA   GLU 844           HA       GLU  34   8.822  -2.825  -1.817
  232    HB2  GLU 844           HB2      GLU  34   8.723  -1.857  -4.324
  233    HB3  GLU 844           HB3      GLU  34  10.070  -2.913  -4.595
  234    HG2  GLU 844           HG2      GLU  34   8.344  -4.222  -5.272
  235    HG3  GLU 844           HG3      GLU  34   8.583  -4.788  -3.618
  236    H    MET 845           H        MET  35  12.001  -2.083  -2.781
  237    HA   MET 845           HA       MET  35  13.338  -4.647  -2.217
  238    HB2  MET 845           HB2      MET  35  12.819  -4.471  -4.507
  239    HB3  MET 845           HB3      MET  35  13.218  -2.790  -4.632
  240    HG2  MET 845           HG2      MET  35  15.463  -3.210  -4.887
  241    HG3  MET 845           HG3      MET  35  15.342  -4.545  -3.752
  242    HE1  MET 845           HE1      MET  35  14.517  -7.631  -5.954
  243    HE2  MET 845           HE2      MET  35  13.432  -6.706  -4.898
  244    HE3  MET 845           HE3      MET  35  15.100  -7.056  -4.377
  245    H    SER 846           H        SER  36  13.083  -2.729  -0.321
  246    HA   SER 846           HA       SER  36  15.098  -0.609  -0.694
  247    HB2  SER 846           HB2      SER  36  14.170   0.324   1.368
  248    HB3  SER 846           HB3      SER  36  12.972  -0.041   0.105
  249    HG   SER 846           HG       SER  36  13.550  -1.539   2.465
  250    H    LEU 847           H        LEU  37  16.784  -2.127  -0.892
  251    HA   LEU 847           HA       LEU  37  17.816  -3.631   1.267
  252    HB2  LEU 847           HB2      LEU  37  19.066  -2.268  -1.086
  253    HB3  LEU 847           HB3      LEU  37  20.052  -3.069   0.137
  254    HG   LEU 847           HG       LEU  37  18.363  -5.070  -0.445
  255   HD11  LEU 847          HD11      LEU  37  18.633  -3.479  -2.979
  256   HD12  LEU 847          HD12      LEU  37  17.138  -3.972  -2.133
  257   HD13  LEU 847          HD13      LEU  37  18.143  -5.197  -2.907
  258   HD21  LEU 847          HD21      LEU  37  20.189  -5.908  -1.955
  259   HD22  LEU 847          HD22      LEU  37  20.811  -5.206  -0.450
  260   HD23  LEU 847          HD23      LEU  37  20.857  -4.257  -1.939
  261    H    ASP 848           H        ASP  38  19.428  -3.255   2.666
  262    HA   ASP 848           HA       ASP  38  20.614  -0.630   3.055
  263    HB2  ASP 848           HB2      ASP  38  19.258  -1.972   5.412
  264    HB3  ASP 848           HB3      ASP  38  20.151  -0.442   5.400
  265    H    PHE 849           H        PHE  39  22.479  -0.800   4.496
  266    HA   PHE 849           HA       PHE  39  23.437  -3.534   5.090
  267    HB2  PHE 849           HB2      PHE  39  25.034  -1.340   3.768
  268    HB3  PHE 849           HB3      PHE  39  25.713  -2.800   4.447
  269    HD1  PHE 849           HD1      PHE  39  25.545  -4.947   3.263
  270    HD2  PHE 849           HD2      PHE  39  23.551  -1.443   1.735
  271    HE1  PHE 849           HE1      PHE  39  25.170  -6.094   1.068
  272    HE2  PHE 849           HE2      PHE  39  23.186  -2.609  -0.423
  273    HZ   PHE 849           HZ       PHE  39  23.988  -4.925  -0.758
  274    H    CYS 850           H        CYS  40  25.028  -3.615   6.767
  275    HA   CYS 850           HA       CYS  40  24.887  -1.321   8.623
  276    HB2  CYS 850           HB2      CYS  40  25.693  -2.884  10.341
  277    HB3  CYS 850           HB3      CYS  40  24.232  -3.497   9.572
  278    H    ASP 851           H        ASP  41  26.979  -0.737   9.761
  279    HA   ASP 851           HA       ASP  41  28.837  -0.035   7.696
  280    HB2  ASP 851           HB2      ASP  41  28.314   1.383   9.529
  281    HB3  ASP 851           HB3      ASP  41  29.016   0.314  10.714
  282    H    SER 852           H        SER  42  28.664  -2.885   9.543
  283    HA   SER 852           HA       SER  42  31.423  -3.810   9.172
  284    HB2  SER 852           HB2      SER  42  28.785  -5.283   9.512
  285    HB3  SER 852           HB3      SER  42  30.332  -6.058   9.574
  286    HG   SER 852           HG       SER  42  30.828  -4.856  11.486
  287    H    CYS 853           H        CYS  43  28.503  -3.616   7.244
  288    HA   CYS 853           HA       CYS  43  29.457  -5.650   5.344
  289    HB2  CYS 853           HB2      CYS  43  26.713  -4.788   6.277
  290    HB3  CYS 853           HB3      CYS  43  26.942  -5.678   4.766
  291    H    SER 854           H        SER  44  28.887  -2.148   5.320
  292    HA   SER 854           HA       SER  44  27.737  -1.954   2.742
  293    HB2  SER 854           HB2      SER  44  28.394   0.433   2.933
  294    HB3  SER 854           HB3      SER  44  27.596  -0.267   4.341
  295    HG   SER 854           HG       SER  44  29.633   1.015   4.733
  296    H    ASP 855           H        ASP  45  30.947  -2.922   3.322
  297    HA   ASP 855           HA       ASP  45  32.215  -1.856   0.949
  298    HB2  ASP 855           HB2      ASP  45  32.647  -4.480   2.448
  299    HB3  ASP 855           HB3      ASP  45  33.718  -3.831   1.211
  300    H    CYS 856           H        CYS  46  29.560  -3.972   1.317
  301    HA   CYS 856           HA       CYS  46  30.019  -5.634  -1.049
  302    HB2  CYS 856           HB2      CYS  46  28.819  -6.509   0.864
  303    HB3  CYS 856           HB3      CYS  46  27.607  -5.215   0.758
  304    HG   CYS 856           HG       CYS  46  28.261  -7.791  -1.226
  305    H    LEU 857           H        LEU  47  29.032  -5.522  -2.964
  306    HA   LEU 857           HA       LEU  47  27.167  -3.359  -3.689
  307    HB2  LEU 857           HB2      LEU  47  29.483  -2.438  -4.044
  308    HB3  LEU 857           HB3      LEU  47  29.781  -3.749  -5.183
  309    HG   LEU 857           HG       LEU  47  27.788  -2.860  -6.559
  310   HD11  LEU 857          HD11      LEU  47  27.152  -0.519  -6.196
  311   HD12  LEU 857          HD12      LEU  47  28.138  -0.457  -4.715
  312   HD13  LEU 857          HD13      LEU  47  26.706  -1.502  -4.800
  313   HD21  LEU 857          HD21      LEU  47  30.109  -2.437  -7.209
  314   HD22  LEU 857          HD22      LEU  47  30.187  -1.042  -6.112
  315   HD23  LEU 857          HD23      LEU  47  29.109  -1.005  -7.524
  316    H    HIS 858           H        HIS  48  26.005  -5.459  -3.465
  317    HA   HIS 858           HA       HIS  48  26.277  -7.531  -5.485
  318    HB2  HIS 858           HB2      HIS  48  25.379  -7.893  -3.175
  319    HB3  HIS 858           HB3      HIS  48  24.018  -6.871  -3.549
  320    HD2  HIS 858           HD2      HIS  48  22.081  -8.566  -3.398
  321    HE1  HIS 858           HE1      HIS  48  23.575 -11.596  -6.012
  322    HE2  HIS 858           HE2      HIS  48  21.585 -10.870  -4.599
  323    H    GLU 859           H        GLU  49  24.557  -8.212  -6.867
  324    HA   GLU 859           HA       GLU  49  23.104  -6.019  -8.170
  325    HB2  GLU 859           HB2      GLU  49  24.798  -8.019  -9.662
  326    HB3  GLU 859           HB3      GLU  49  23.836  -6.715 -10.273
  327    HG2  GLU 859           HG2      GLU  49  25.428  -5.129  -8.904
  328    HG3  GLU 859           HG3      GLU  49  26.495  -6.514  -8.843
  329    H    THR 860           H        THR  50  21.091  -6.564  -8.159
  330    HA   THR 860           HA       THR  50  20.011  -8.957  -9.295
  331    HB   THR 860           HB       THR  50  20.524  -9.935  -7.110
  332    HG1  THR 860           HG1      THR  50  18.703 -10.746  -8.017
  333   HG21  THR 860          HG21      THR  50  19.487  -9.276  -5.051
  334   HG22  THR 860          HG22      THR  50  18.601  -7.957  -5.821
  335   HG23  THR 860          HG23      THR  50  20.373  -7.876  -5.672
  336    H    ASP 861           H        ASP  51  18.333  -8.448 -10.349
  337    HA   ASP 861           HA       ASP  51  16.669  -7.386 -11.367
  338    HB2  ASP 861           HB2      ASP  51  15.718  -7.032  -8.517
  339    HB3  ASP 861           HB3      ASP  51  14.718  -6.834  -9.957
  340    H    ILE 862           H        ILE  52  17.580  -5.243  -8.754
  341    HA   ILE 862           HA       ILE  52  17.288  -2.776 -10.413
  342    HB   ILE 862           HB       ILE  52  16.115  -3.200  -7.624
  343   HG12  ILE 862          HG12      ILE  52  14.865  -3.118 -10.365
  344   HG13  ILE 862          HG13      ILE  52  14.699  -4.343  -9.125
  345   HG21  ILE 862          HG21      ILE  52  15.258  -0.825  -8.071
  346   HG22  ILE 862          HG22      ILE  52  16.423  -0.775  -9.411
  347   HG23  ILE 862          HG23      ILE  52  16.973  -1.012  -7.733
  348   HD11  ILE 862          HD11      ILE  52  13.402  -1.603  -9.087
  349   HD12  ILE 862          HD12      ILE  52  13.425  -2.729  -7.697
  350   HD13  ILE 862          HD13      ILE  52  12.631  -3.189  -9.218
  351    H    HIS 863           H        HIS  53  18.449  -4.303  -7.413
  352    HA   HIS 863           HA       HIS  53  20.419  -2.232  -6.786
  353    HB2  HIS 863           HB2      HIS  53  19.292  -3.767  -5.150
  354    HB3  HIS 863           HB3      HIS  53  20.075  -5.132  -5.912
  355    HD2  HIS 863           HD2      HIS  53  22.134  -5.913  -4.683
  356    HE1  HIS 863           HE1      HIS  53  23.312  -2.330  -2.748
  357    H    LYS 864           H        LYS  54  22.455  -2.181  -7.703
  358    HA   LYS 864           HA       LYS  54  23.561  -4.212  -9.500
  359    HB2  LYS 864           HB2      LYS  54  22.804  -1.450 -10.512
  360    HB3  LYS 864           HB3      LYS  54  23.672  -2.655 -11.426
  361    HG2  LYS 864           HG2      LYS  54  20.791  -2.890 -10.577
  362    HG3  LYS 864           HG3      LYS  54  21.344  -2.344 -12.150
  363    HD2  LYS 864           HD2      LYS  54  22.361  -4.458 -12.681
  364    HD3  LYS 864           HD3      LYS  54  22.075  -5.098 -11.049
  365    HE2  LYS 864           HE2      LYS  54  19.684  -4.945 -11.325
  366    HE3  LYS 864           HE3      LYS  54  19.850  -4.150 -12.889
  367    HZ1  LYS 864           HZ1      LYS  54  20.727  -6.959 -12.366
  368    HZ2  LYS 864           HZ2      LYS  54  20.869  -6.168 -13.793
  369    HZ3  LYS 864           HZ3      LYS  54  19.391  -6.520 -13.218
  370    H    GLU 865           H        GLU  55  25.659  -3.237 -10.516
  371    HA   GLU 865           HA       GLU  55  27.095  -1.687  -8.575
  372    HB2  GLU 865           HB2      GLU  55  28.831  -1.706 -10.122
  373    HB3  GLU 865           HB3      GLU  55  28.096  -3.284 -10.153
  374    HG2  GLU 865           HG2      GLU  55  26.870  -2.559 -12.277
  375    HG3  GLU 865           HG3      GLU  55  27.801  -1.066 -12.230
  376    H    ASP 866           H        ASP  56  24.721  -0.827 -10.877
  377    HA   ASP 866           HA       ASP  56  25.570   1.967 -11.304
  378    HB2  ASP 866           HB2      ASP  56  22.942   0.562 -11.938
  379    HB3  ASP 866           HB3      ASP  56  23.429   2.164 -12.488
  380    H    HIS 867           H        HIS  57  23.947   0.148  -8.873
  381    HA   HIS 867           HA       HIS  57  22.393   2.362  -7.751
  382    HB2  HIS 867           HB2      HIS  57  21.225   0.534  -7.082
  383    HB3  HIS 867           HB3      HIS  57  22.507  -0.542  -7.497
  384    HD2  HIS 867           HD2      HIS  57  24.602  -0.774  -5.802
  385    HE1  HIS 867           HE1      HIS  57  22.713   0.983  -2.494
  386    H    GLN 868           H        GLN  58  22.926   3.030  -5.495
  387    HA   GLN 868           HA       GLN  58  25.833   3.153  -4.880
  388    HB2  GLN 868           HB2      GLN  58  23.950   5.501  -5.052
  389    HB3  GLN 868           HB3      GLN  58  25.603   5.574  -4.429
  390    HG2  GLN 868           HG2      GLN  58  24.872   4.742  -7.287
  391    HG3  GLN 868           HG3      GLN  58  25.239   6.377  -6.778
  392   HE21  GLN 868          HE21      GLN  58  26.706   3.081  -7.241
  393   HE22  GLN 868          HE22      GLN  58  28.345   3.725  -7.226
  394    H    LEU 869           H        LEU  59  26.482   3.293  -2.705
  395    HA   LEU 869           HA       LEU  59  24.341   2.941  -0.690
  396    HB2  LEU 869           HB2      LEU  59  27.359   2.715  -0.400
  397    HB3  LEU 869           HB3      LEU  59  26.147   2.334   0.807
  398    HG   LEU 869           HG       LEU  59  26.952   0.331   0.002
  399   HD11  LEU 869          HD11      LEU  59  24.916  -0.787  -0.938
  400   HD12  LEU 869          HD12      LEU  59  24.203   0.789  -1.185
  401   HD13  LEU 869          HD13      LEU  59  24.582   0.261   0.458
  402   HD21  LEU 869          HD21      LEU  59  27.067  -0.508  -2.180
  403   HD22  LEU 869          HD22      LEU  59  27.935   1.031  -2.117
  404   HD23  LEU 869          HD23      LEU  59  26.325   0.936  -2.869
  405    H    GLU 870           H        GLU  60  24.216   4.240   1.227
  406    HA   GLU 870           HA       GLU  60  25.833   6.739   1.297
  407    HB2  GLU 870           HB2      GLU  60  23.802   7.305   0.125
  408    HB3  GLU 870           HB3      GLU  60  22.815   6.556   1.346
  409    HG2  GLU 870           HG2      GLU  60  22.617   8.878   1.624
  410    HG3  GLU 870           HG3      GLU  60  23.587   8.308   2.972
  411    HA   PRO 871           HA       PRO  61  25.761   5.512   5.738
  412    HB2  PRO 871           HB2      PRO  61  27.527   7.313   6.669
  413    HB3  PRO 871           HB3      PRO  61  28.029   5.890   5.726
  414    HG2  PRO 871           HG2      PRO  61  27.739   8.753   4.811
  415    HG3  PRO 871           HG3      PRO  61  29.017   7.570   4.393
  416    HD2  PRO 871           HD2      PRO  61  26.788   8.166   2.819
  417    HD3  PRO 871           HD3      PRO  61  27.709   6.650   2.707
  418    H    ILE 872           H        ILE  62  24.303   6.127   7.170
  419    HA   ILE 872           HA       ILE  62  23.470   8.993   7.392
  420    HB   ILE 872           HB       ILE  62  21.725   6.534   7.701
  421   HG12  ILE 872          HG12      ILE  62  21.798   8.572   5.426
  422   HG13  ILE 872          HG13      ILE  62  22.315   6.888   5.322
  423   HG21  ILE 872          HG21      ILE  62  19.905   8.152   7.973
  424   HG22  ILE 872          HG22      ILE  62  21.026   9.506   7.690
  425   HG23  ILE 872          HG23      ILE  62  21.161   8.504   9.146
  426   HD11  ILE 872          HD11      ILE  62  19.997   6.146   5.862
  427   HD12  ILE 872          HD12      ILE  62  20.150   7.047   4.337
  428   HD13  ILE 872          HD13      ILE  62  19.471   7.847   5.759
  429    H    TYR 873           H        TYR  63  24.099   9.824   9.262
  430    HA   TYR 873           HA       TYR  63  24.704   8.040  11.542
  431    HB2  TYR 873           HB2      TYR  63  25.335  10.980  11.208
  432    HB3  TYR 873           HB3      TYR  63  25.822   9.868  12.500
  433    HD1  TYR 873           HD1      TYR  63  27.921  11.375  11.423
  434    HD2  TYR 873           HD2      TYR  63  26.186   7.797   9.779
  435    HE1  TYR 873           HE1      TYR  63  30.081  10.842  10.302
  436    HE2  TYR 873           HE2      TYR  63  28.354   7.199   8.758
  437    HH   TYR 873           HH       TYR  63  31.236   9.343   8.979
  438    H    ARG 874           H        ARG  64  21.989   8.737  10.893
  439    HA   ARG 874           HA       ARG  64  21.076   9.262  13.596
  440    HB2  ARG 874           HB2      ARG  64  20.011  10.815  11.176
  441    HB3  ARG 874           HB3      ARG  64  19.206  10.780  12.733
  442    HG2  ARG 874           HG2      ARG  64  21.964  11.950  12.177
  443    HG3  ARG 874           HG3      ARG  64  20.485  12.850  12.445
  444    HD2  ARG 874           HD2      ARG  64  21.680  10.921  14.466
  445    HD3  ARG 874           HD3      ARG  64  22.027  12.654  14.471
  446    HE   ARG 874           HE       ARG  64  19.524  11.313  15.275
  447   HH11  ARG 874          HH11      ARG  64  20.961  14.435  14.573
  448   HH12  ARG 874          HH12      ARG  64  19.663  15.303  15.348
  449   HH21  ARG 874          HH21      ARG  64  17.895  12.482  16.209
  450   HH22  ARG 874          HH22      ARG  64  17.982  14.219  16.258
  451    H1   ALA   1           H1       ALA  65  16.770  -2.633   4.064
  452    H2   ALA   1           H2       ALA  65  17.583  -3.966   3.521
  453    H3   ALA   1           H3       ALA  65  17.318  -3.773   5.118
  454    HA   ALA   1           HA       ALA  65  15.235  -4.125   3.094
  455    HB1  ALA   1           HB1      ALA  65  16.158  -6.157   3.011
  456    HB2  ALA   1           HB2      ALA  65  14.928  -6.421   4.239
  457    HB3  ALA   1           HB3      ALA  65  16.630  -6.199   4.739
  458    H    ARG   2           H        ARG  66  13.090  -3.844   3.765
  459    HA   ARG   2           HA       ARG  66  12.558  -2.686   6.418
  460    HB2  ARG   2           HB2      ARG  66  10.881  -3.490   4.008
  461    HB3  ARG   2           HB3      ARG  66  10.110  -3.018   5.521
  462    HG2  ARG   2           HG2      ARG  66  10.935  -0.808   5.431
  463    HG3  ARG   2           HG3      ARG  66  12.178  -1.214   4.256
  464    HD2  ARG   2           HD2      ARG  66  10.446   0.018   3.112
  465    HD3  ARG   2           HD3      ARG  66  10.420  -1.658   2.549
  466    HE   ARG   2           HE       ARG  66   8.563  -0.895   4.754
  467   HH11  ARG   2          HH11      ARG  66   8.816  -1.412   1.279
  468   HH12  ARG   2          HH12      ARG  66   7.095  -1.618   1.114
  469   HH21  ARG   2          HH21      ARG  66   6.408  -1.274   4.473
  470   HH22  ARG   2          HH22      ARG  66   5.760  -1.496   2.866
  471    H    THR   3           H        THR  67  11.556  -3.588   8.153
  472    HA   THR   3           HA       THR  67  10.487  -6.361   8.058
  473    HB   THR   3           HB       THR  67  11.568  -7.033  10.127
  474    HG1  THR   3           HG1      THR  67  12.853  -4.544   9.913
  475   HG21  THR   3          HG21      THR  67  12.800  -7.591   8.034
  476   HG22  THR   3          HG22      THR  67  13.859  -7.352   9.437
  477   HG23  THR   3          HG23      THR  67  13.733  -6.080   8.204
  478    H    LYS   4           H        LYS  68   9.419  -6.826  10.350
  479    HA   LYS   4           HA       LYS  68   7.553  -6.451  11.567
  480    HB2  LYS   4           HB2      LYS  68   8.705  -3.682  12.068
  481    HB3  LYS   4           HB3      LYS  68   7.508  -4.541  13.044
  482    HG2  LYS   4           HG2      LYS  68   9.267  -6.392  13.346
  483    HG3  LYS   4           HG3      LYS  68  10.443  -5.256  12.666
  484    HD2  LYS   4           HD2      LYS  68   9.948  -3.640  14.474
  485    HD3  LYS   4           HD3      LYS  68   8.697  -4.733  15.116
  486    HE2  LYS   4           HE2      LYS  68  10.476  -6.505  15.404
  487    HE3  LYS   4           HE3      LYS  68  11.692  -5.312  14.929
  488    HZ1  LYS   4           HZ1      LYS  68   9.885  -5.085  17.297
  489    HZ2  LYS   4           HZ2      LYS  68  10.993  -3.963  16.871
  490    HZ3  LYS   4           HZ3      LYS  68  11.470  -5.449  17.358
  491    H    GLN   5           H        GLN  69   7.303  -5.877   8.740
  492    HA   GLN   5           HA       GLN  69   5.224  -3.783   8.512
  493    HB2  GLN   5           HB2      GLN  69   6.241  -5.758   6.434
  494    HB3  GLN   5           HB3      GLN  69   5.250  -4.336   6.138
  495    HG2  GLN   5           HG2      GLN  69   8.153  -4.353   7.088
  496    HG3  GLN   5           HG3      GLN  69   7.572  -3.942   5.488
  497   HE21  GLN   5          HE21      GLN  69   8.374  -2.609   8.585
  498   HE22  GLN   5          HE22      GLN  69   7.695  -1.017   8.260
  499    H    THR   6           H        THR  70   3.077  -4.313   7.595
  500    HA   THR   6           HA       THR  70   2.143  -7.082   7.714
  501    HB   THR   6           HB       THR  70   1.972  -6.528  10.077
  502    HG1  THR   6           HG1      THR  70   0.329  -7.791   9.558
  503   HG21  THR   6          HG21      THR  70   1.738  -4.070  10.002
  504   HG22  THR   6          HG22      THR  70   0.423  -4.826  10.914
  505   HG23  THR   6          HG23      THR  70   0.126  -4.237   9.268
  506    H    ALA   7           H        ALA  71   0.211  -7.477   6.681
  507    HA   ALA   7           HA       ALA  71  -0.927  -5.344   4.977
  508    HB1  ALA   7           HB1      ALA  71  -1.505  -8.333   5.136
  509    HB2  ALA   7           HB2      ALA  71  -0.336  -7.560   4.040
  510    HB3  ALA   7           HB3      ALA  71  -2.065  -7.208   3.879
  511    H    ARG   8           H        ARG  72  -1.465  -6.274   8.130
  512    HA   ARG   8           HA       ARG  72  -3.109  -6.130   9.662
  513    HB2  ARG   8           HB2      ARG  72  -4.384  -4.138   7.755
  514    HB3  ARG   8           HB3      ARG  72  -4.739  -4.317   9.477
  515    HG2  ARG   8           HG2      ARG  72  -2.379  -3.743  10.026
  516    HG3  ARG   8           HG3      ARG  72  -2.063  -3.457   8.300
  517    HD2  ARG   8           HD2      ARG  72  -3.814  -1.721   8.257
  518    HD3  ARG   8           HD3      ARG  72  -4.141  -2.005   9.981
  519    HE   ARG   8           HE       ARG  72  -1.374  -1.432   9.706
  520   HH11  ARG   8          HH11      ARG  72  -0.501   0.560  10.174
  521   HH12  ARG   8          HH12      ARG  72  -1.506   1.978  10.170
  522   HH21  ARG   8          HH21      ARG  72  -4.397   0.308   9.349
  523   HH22  ARG   8          HH22      ARG  72  -3.663   1.846   9.713
  524    H    LYS   9           H        LYS  73  -3.448  -8.189   7.578
  525    HA   LYS   9           HA       LYS  73  -6.378  -8.712   7.559
  526    HB2  LYS   9           HB2      LYS  73  -4.076 -10.343   6.392
  527    HB3  LYS   9           HB3      LYS  73  -5.789 -10.641   6.124
  528    HG2  LYS   9           HG2      LYS  73  -4.241  -8.190   5.195
  529    HG3  LYS   9           HG3      LYS  73  -4.723  -9.552   4.204
  530    HD2  LYS   9           HD2      LYS  73  -7.078  -9.041   4.478
  531    HD3  LYS   9           HD3      LYS  73  -6.740  -7.729   5.616
  532    HE2  LYS   9           HE2      LYS  73  -5.588  -7.727   2.798
  533    HE3  LYS   9           HE3      LYS  73  -7.228  -7.170   3.112
  534    HZ1  LYS   9           HZ1      LYS  73  -5.591  -5.341   3.181
  535    HZ2  LYS   9           HZ2      LYS  73  -4.837  -6.002   4.477
  536    HZ3  LYS   9           HZ3      LYS  73  -6.379  -5.482   4.602
  537    H    SER  10           H        SER  74  -7.193 -10.811   8.184
  538    HA   SER  10           HA       SER  74  -5.741 -12.359  10.210
  539    HB2  SER  10           HB2      SER  74  -6.679 -10.404  11.470
  540    HB3  SER  10           HB3      SER  74  -8.303 -10.908  10.976
  541    HG   SER  10           HG       SER  74  -7.690 -11.706  13.064
  542    H    THR  11           H        THR  75  -7.025 -14.223  10.982
  543    HA   THR  11           HA       THR  75  -8.227 -15.620   8.739
  544    HB   THR  11           HB       THR  75  -6.731 -16.671  10.446
  545    HG1  THR  11           HG1      THR  75  -7.873 -18.054   9.205
  546   HG21  THR  11          HG21      THR  75  -9.212 -16.694  12.223
  547   HG22  THR  11          HG22      THR  75  -7.751 -15.724  12.520
  548   HG23  THR  11          HG23      THR  75  -7.657 -17.492  12.534
  549    H    GLY  12           H        GLY  76 -10.287 -16.749   8.789
  550    HA2  GLY  12           HA2      GLY  76 -12.588 -16.880   8.961
  551    HA3  GLY  12           HA3      GLY  76 -12.505 -15.959  10.460
  Start of MODEL   10
    1    H1   GLY 811           H1       GLY   1  20.785  10.311  20.743
    2    H2   GLY 811           H2       GLY   1  20.904  10.899  19.225
    3    H3   GLY 811           H3       GLY   1  22.063  11.245  20.335
    4    HA2  GLY 811           HA2      GLY   1  22.725   8.902  20.450
    5    HA3  GLY 811           HA3      GLY   1  21.469   8.545  19.268
    6    HA   PRO 812           HA       PRO   2  25.188  10.485  16.917
    7    HB2  PRO 812           HB2      PRO   2  27.506   9.578  18.549
    8    HB3  PRO 812           HB3      PRO   2  27.145  11.215  17.932
    9    HG2  PRO 812           HG2      PRO   2  26.989  10.644  20.569
   10    HG3  PRO 812           HG3      PRO   2  25.786  11.721  19.790
   11    HD2  PRO 812           HD2      PRO   2  25.534   8.731  20.298
   12    HD3  PRO 812           HD3      PRO   2  24.427  10.045  20.791
   13    H    LEU 813           H        LEU   3  27.201   9.590  15.811
   14    HA   LEU 813           HA       LEU   3  26.780   7.077  14.668
   15    HB2  LEU 813           HB2      LEU   3  28.122   8.749  13.631
   16    HB3  LEU 813           HB3      LEU   3  29.256   8.831  14.970
   17    HG   LEU 813           HG       LEU   3  29.014   6.214  13.486
   18   HD11  LEU 813          HD11      LEU   3  30.649   6.961  11.820
   19   HD12  LEU 813          HD12      LEU   3  30.611   8.607  12.490
   20   HD13  LEU 813          HD13      LEU   3  29.176   7.928  11.713
   21   HD21  LEU 813          HD21      LEU   3  31.395   7.677  14.678
   22   HD22  LEU 813          HD22      LEU   3  31.406   6.074  13.898
   23   HD23  LEU 813          HD23      LEU   3  30.541   6.302  15.410
   24    H    GLY 814           H        GLY   4  27.421   5.002  15.099
   25    HA2  GLY 814           HA2      GLY   4  28.314   3.175  16.267
   26    HA3  GLY 814           HA3      GLY   4  29.248   4.274  17.288
   27    H    SER 815           H        SER   5  26.178   5.478  17.571
   28    HA   SER 815           HA       SER   5  25.113   3.399  19.437
   29    HB2  SER 815           HB2      SER   5  24.609   6.356  19.728
   30    HB3  SER 815           HB3      SER   5  24.315   5.091  20.920
   31    HG   SER 815           HG       SER   5  26.541   4.905  21.285
   32    H    VAL 816           H        VAL   6  24.698   5.005  16.555
   33    HA   VAL 816           HA       VAL   6  21.880   5.605  16.660
   34    HB   VAL 816           HB       VAL   6  24.152   5.842  14.876
   35   HG11  VAL 816          HG11      VAL   6  21.504   5.385  13.493
   36   HG12  VAL 816          HG12      VAL   6  22.957   4.345  13.340
   37   HG13  VAL 816          HG13      VAL   6  23.003   6.049  12.787
   38   HG21  VAL 816          HG21      VAL   6  23.086   7.794  14.306
   39   HG22  VAL 816          HG22      VAL   6  22.933   7.570  16.046
   40   HG23  VAL 816          HG23      VAL   6  21.518   7.246  14.976
   41    H    GLN 817           H        GLN   7  20.183   4.405  15.793
   42    HA   GLN 817           HA       GLN   7  20.711   1.602  15.083
   43    HB2  GLN 817           HB2      GLN   7  19.298   0.876  17.083
   44    HB3  GLN 817           HB3      GLN   7  21.008   1.237  17.290
   45    HG2  GLN 817           HG2      GLN   7  20.406   3.473  18.227
   46    HG3  GLN 817           HG3      GLN   7  18.721   3.088  18.050
   47   HE21  GLN 817          HE21      GLN   7  19.393   3.780  20.495
   48   HE22  GLN 817          HE22      GLN   7  19.751   2.437  21.568
   49    H    HIS 818           H        HIS   8  19.622   1.305  13.432
   50    HA   HIS 818           HA       HIS   8  17.005   2.584  13.071
   51    HB2  HIS 818           HB2      HIS   8  18.927   1.122  11.266
   52    HB3  HIS 818           HB3      HIS   8  17.281   1.505  10.764
   53    HD2  HIS 818           HD2      HIS   8  20.312   3.564  12.142
   54    HE1  HIS 818           HE1      HIS   8  17.691   6.217  10.075
   55    HE2  HIS 818           HE2      HIS   8  19.859   6.063  11.358
   56    H    VAL 819           H        VAL   9  16.572   1.058  15.048
   57    HA   VAL 819           HA       VAL   9  15.630  -1.575  14.850
   58    HB   VAL 819           HB       VAL   9  14.610   0.758  16.445
   59   HG11  VAL 819          HG11      VAL   9  12.894  -1.045  16.383
   60   HG12  VAL 819          HG12      VAL   9  13.691  -0.951  17.964
   61   HG13  VAL 819          HG13      VAL   9  14.152  -2.238  16.824
   62   HG21  VAL 819          HG21      VAL   9  15.937  -0.286  18.245
   63   HG22  VAL 819          HG22      VAL   9  16.958   0.204  16.903
   64   HG23  VAL 819          HG23      VAL   9  16.523  -1.512  17.108
   65    H    GLY 820           H        GLY  10  14.500  -2.417  13.255
   66    HA2  GLY 820           HA2      GLY  10  12.419  -2.709  12.073
   67    HA3  GLY 820           HA3      GLY  10  12.178  -0.999  12.003
   68    H    PHE 821           H        PHE  11  15.494  -1.764  11.244
   69    HA   PHE 821           HA       PHE  11  14.883  -2.171   8.355
   70    HB2  PHE 821           HB2      PHE  11  16.743  -0.020   9.358
   71    HB3  PHE 821           HB3      PHE  11  16.467  -0.453   7.684
   72    HD1  PHE 821           HD1      PHE  11  14.356   0.133   6.539
   73    HD2  PHE 821           HD2      PHE  11  15.048   1.275  10.641
   74    HE1  PHE 821           HE1      PHE  11  12.510   1.800   6.400
   75    HE2  PHE 821           HE2      PHE  11  13.204   2.927  10.494
   76    HZ   PHE 821           HZ       PHE  11  11.934   3.190   8.372
   77    H    LYS 822           H        LYS  12  15.725  -4.063   8.014
   78    HA   LYS 822           HA       LYS  12  17.996  -5.176   9.389
   79    HB2  LYS 822           HB2      LYS  12  16.014  -6.488   8.775
   80    HB3  LYS 822           HB3      LYS  12  16.272  -6.129   7.081
   81    HG2  LYS 822           HG2      LYS  12  18.565  -7.359   7.414
   82    HG3  LYS 822           HG3      LYS  12  17.866  -8.028   8.862
   83    HD2  LYS 822           HD2      LYS  12  16.615  -8.185   6.105
   84    HD3  LYS 822           HD3      LYS  12  17.768  -9.382   6.683
   85    HE2  LYS 822           HE2      LYS  12  16.362  -9.948   8.575
   86    HE3  LYS 822           HE3      LYS  12  15.130  -8.761   8.094
   87    HZ1  LYS 822           HZ1      LYS  12  15.925 -11.168   6.502
   88    HZ2  LYS 822           HZ2      LYS  12  14.804 -10.069   6.026
   89    HZ3  LYS 822           HZ3      LYS  12  14.537 -11.004   7.336
   90    H    CYS 823           H        CYS  13  20.054  -5.687   8.563
   91    HA   CYS 823           HA       CYS  13  21.102  -4.464   6.110
   92    HB2  CYS 823           HB2      CYS  13  22.608  -4.720   8.027
   93    HB3  CYS 823           HB3      CYS  13  22.241  -6.444   8.114
   94    H    ASP 824           H        ASP  14  20.414  -5.393   4.147
   95    HA   ASP 824           HA       ASP  14  19.359  -8.044   3.943
   96    HB2  ASP 824           HB2      ASP  14  20.483  -6.234   1.777
   97    HB3  ASP 824           HB3      ASP  14  19.590  -7.710   1.478
   98    H    ASN 825           H        ASN  15  22.669  -7.129   4.113
   99    HA   ASN 825           HA       ASN  15  23.648  -9.345   2.435
  100    HB2  ASN 825           HB2      ASN  15  24.762  -7.118   2.380
  101    HB3  ASN 825           HB3      ASN  15  25.187  -7.319   4.077
  102   HD21  ASN 825          HD21      ASN  15  27.220  -8.067   4.401
  103   HD22  ASN 825          HD22      ASN  15  28.053  -9.176   3.304
  104    H    CYS 826           H        CYS  16  24.000  -8.468   5.958
  105    HA   CYS 826           HA       CYS  16  24.641 -11.313   6.515
  106    HB2  CYS 826           HB2      CYS  16  25.754 -10.567   8.466
  107    HB3  CYS 826           HB3      CYS  16  26.356  -9.669   7.082
  108    H    GLY 827           H        GLY  17  22.009  -9.175   6.765
  109    HA2  GLY 827           HA2      GLY  17  19.904  -9.619   7.408
  110    HA3  GLY 827           HA3      GLY  17  20.359 -11.187   7.974
  111    H    ILE 828           H        ILE  18  22.102  -8.501   9.482
  112    HA   ILE 828           HA       ILE  18  20.708  -8.814  12.022
  113    HB   ILE 828           HB       ILE  18  22.951  -8.076  12.182
  114   HG12  ILE 828          HG12      ILE  18  21.518  -5.465  12.711
  115   HG13  ILE 828          HG13      ILE  18  20.989  -6.896  13.556
  116   HG21  ILE 828          HG21      ILE  18  22.350  -5.558  10.555
  117   HG22  ILE 828          HG22      ILE  18  23.247  -6.958   9.962
  118   HG23  ILE 828          HG23      ILE  18  23.903  -6.023  11.288
  119   HD11  ILE 828          HD11      ILE  18  23.813  -5.765  13.631
  120   HD12  ILE 828          HD12      ILE  18  23.261  -7.241  14.471
  121   HD13  ILE 828          HD13      ILE  18  22.592  -5.656  14.914
  122    H    GLU 829           H        GLU  19  18.754  -8.452  12.248
  123    HA   GLU 829           HA       GLU  19  17.277  -6.919  10.534
  124    HB2  GLU 829           HB2      GLU  19  15.343  -7.584  11.603
  125    HB3  GLU 829           HB3      GLU  19  16.494  -8.891  11.538
  126    HG2  GLU 829           HG2      GLU  19  17.085  -8.350  13.965
  127    HG3  GLU 829           HG3      GLU  19  15.689  -7.256  13.975
  128    HA   PRO 830           HA       PRO  20  17.587  -3.053  11.771
  129    HB2  PRO 830           HB2      PRO  20  17.619  -2.032  14.088
  130    HB3  PRO 830           HB3      PRO  20  16.294  -3.198  13.677
  131    HG2  PRO 830           HG2      PRO  20  18.781  -3.651  15.274
  132    HG3  PRO 830           HG3      PRO  20  17.127  -4.221  15.621
  133    HD2  PRO 830           HD2      PRO  20  19.226  -5.615  14.255
  134    HD3  PRO 830           HD3      PRO  20  17.515  -6.086  14.279
  135    H    ILE 831           H        ILE  21  19.146  -1.777  11.002
  136    HA   ILE 831           HA       ILE  21  21.882  -2.474  11.616
  137    HB   ILE 831           HB       ILE  21  20.735  -0.307   9.859
  138   HG12  ILE 831          HG12      ILE  21  22.260  -2.685   8.814
  139   HG13  ILE 831          HG13      ILE  21  20.672  -3.075   9.477
  140   HG21  ILE 831          HG21      ILE  21  23.107  -0.327   8.930
  141   HG22  ILE 831          HG22      ILE  21  23.597  -1.274  10.348
  142   HG23  ILE 831          HG23      ILE  21  22.956   0.364  10.546
  143   HD11  ILE 831          HD11      ILE  21  20.665  -2.523   7.013
  144   HD12  ILE 831          HD12      ILE  21  21.170  -0.875   7.416
  145   HD13  ILE 831          HD13      ILE  21  19.602  -1.468   7.965
  146    H    GLN 832           H        GLN  22  22.536  -2.067  13.599
  147    HA   GLN 832           HA       GLN  22  22.391   0.598  14.712
  148    HB2  GLN 832           HB2      GLN  22  24.012  -1.654  15.851
  149    HB3  GLN 832           HB3      GLN  22  23.324  -0.265  16.670
  150    HG2  GLN 832           HG2      GLN  22  21.966  -2.825  15.714
  151    HG3  GLN 832           HG3      GLN  22  22.094  -2.209  17.339
  152   HE21  GLN 832          HE21      GLN  22  19.905  -1.981  18.023
  153   HE22  GLN 832          HE22      GLN  22  18.693  -1.289  16.980
  154    H    GLY 833           H        GLY  23  24.234   1.697  15.572
  155    HA2  GLY 833           HA2      GLY  23  26.299   2.721  15.503
  156    HA3  GLY 833           HA3      GLY  23  26.838   1.748  14.192
  157    H    VAL 834           H        VAL  24  25.843   2.072  12.095
  158    HA   VAL 834           HA       VAL  24  24.580   4.666  11.526
  159    HB   VAL 834           HB       VAL  24  25.982   5.093   9.616
  160   HG11  VAL 834          HG11      VAL  24  26.508   6.185  11.739
  161   HG12  VAL 834          HG12      VAL  24  27.948   5.938  10.727
  162   HG13  VAL 834          HG13      VAL  24  27.666   4.878  12.113
  163   HG21  VAL 834          HG21      VAL  24  26.879   2.998   8.928
  164   HG22  VAL 834          HG22      VAL  24  27.798   2.872  10.469
  165   HG23  VAL 834          HG23      VAL  24  28.191   4.115   9.261
  166    H    ARG 835           H        ARG  25  23.060   4.446   9.881
  167    HA   ARG 835           HA       ARG  25  22.700   1.730   8.704
  168    HB2  ARG 835           HB2      ARG  25  20.737   2.662   9.572
  169    HB3  ARG 835           HB3      ARG  25  20.975   4.204   8.740
  170    HG2  ARG 835           HG2      ARG  25  20.540   3.142   6.562
  171    HG3  ARG 835           HG3      ARG  25  20.386   1.542   7.343
  172    HD2  ARG 835           HD2      ARG  25  18.485   2.318   8.638
  173    HD3  ARG 835           HD3      ARG  25  18.701   3.981   8.023
  174    HE   ARG 835           HE       ARG  25  18.253   2.065   5.874
  175   HH11  ARG 835          HH11      ARG  25  16.450   1.872   4.902
  176   HH12  ARG 835          HH12      ARG  25  14.993   2.741   5.396
  177   HH21  ARG 835          HH21      ARG  25  16.497   3.838   8.352
  178   HH22  ARG 835          HH22      ARG  25  15.008   3.739   7.459
  179    H    TRP 836           H        TRP  26  23.621   1.142   6.837
  180    HA   TRP 836           HA       TRP  26  24.389   3.230   4.849
  181    HB2  TRP 836           HB2      TRP  26  25.073   0.354   5.329
  182    HB3  TRP 836           HB3      TRP  26  25.095   0.904   3.733
  183    HD1  TRP 836           HD1      TRP  26  26.968   0.842   6.890
  184    HE1  TRP 836           HE1      TRP  26  29.351   1.757   6.537
  185    HE3  TRP 836           HE3      TRP  26  26.218   3.267   2.471
  186    HZ2  TRP 836           HZ2      TRP  26  30.716   3.416   4.598
  187    HZ3  TRP 836           HZ3      TRP  26  28.084   4.478   1.354
  188    HH2  TRP 836           HH2      TRP  26  30.329   4.564   2.411
  189    H    HIS 837           H        HIS  27  22.378   3.973   4.148
  190    HA   HIS 837           HA       HIS  27  20.196   2.144   3.376
  191    HB2  HIS 837           HB2      HIS  27  19.613   4.289   4.282
  192    HB3  HIS 837           HB3      HIS  27  20.666   5.132   3.144
  193    HD2  HIS 837           HD2      HIS  27  17.375   3.048   3.092
  194    HE1  HIS 837           HE1      HIS  27  17.284   5.723  -0.232
  195    HE2  HIS 837           HE2      HIS  27  15.955   3.990   1.079
  196    H    CYS 838           H        CYS  28  19.685   1.371   1.304
  197    HA   CYS 838           HA       CYS  28  21.571   1.865  -0.876
  198    HB2  CYS 838           HB2      CYS  28  19.222   0.107  -0.276
  199    HB3  CYS 838           HB3      CYS  28  19.580   0.415  -1.900
  200    H    GLN 839           H        GLN  29  21.454   3.716  -1.913
  201    HA   GLN 839           HA       GLN  29  19.381   5.649  -1.693
  202    HB2  GLN 839           HB2      GLN  29  21.735   5.398  -3.585
  203    HB3  GLN 839           HB3      GLN  29  20.781   6.813  -3.488
  204    HG2  GLN 839           HG2      GLN  29  21.394   6.717  -0.877
  205    HG3  GLN 839           HG3      GLN  29  22.722   5.718  -1.458
  206   HE21  GLN 839          HE21      GLN  29  24.564   7.145  -1.384
  207   HE22  GLN 839          HE22      GLN  29  24.476   8.797  -1.945
  208    H    ASP 840           H        ASP  30  19.840   3.143  -4.244
  209    HA   ASP 840           HA       ASP  30  17.922   4.636  -5.956
  210    HB2  ASP 840           HB2      ASP  30  20.335   3.079  -6.864
  211    HB3  ASP 840           HB3      ASP  30  19.114   3.581  -7.938
  212    H    CYS 841           H        CYS  31  18.490   1.607  -4.271
  213    HA   CYS 841           HA       CYS  31  16.617   0.086  -5.703
  214    HB2  CYS 841           HB2      CYS  31  16.762  -0.307  -2.758
  215    HB3  CYS 841           HB3      CYS  31  16.586  -1.407  -3.948
  216    HA   PRO 842           HA       PRO  32  12.837   2.230  -4.668
  217    HB2  PRO 842           HB2      PRO  32  11.018   0.456  -5.677
  218    HB3  PRO 842           HB3      PRO  32  12.290   1.153  -6.715
  219    HG2  PRO 842           HG2      PRO  32  12.324  -1.499  -5.220
  220    HG3  PRO 842           HG3      PRO  32  12.618  -1.222  -6.958
  221    HD2  PRO 842           HD2      PRO  32  14.686  -1.370  -5.215
  222    HD3  PRO 842           HD3      PRO  32  14.700  -0.237  -6.597
  223    HA   PRO 843           HA       PRO  33  10.950   1.047  -0.807
  224    HB2  PRO 843           HB2      PRO  33   8.208   0.695  -1.921
  225    HB3  PRO 843           HB3      PRO  33   8.779   1.796  -0.637
  226    HG2  PRO 843           HG2      PRO  33   8.124   2.541  -3.210
  227    HG3  PRO 843           HG3      PRO  33   9.320   3.449  -2.202
  228    HD2  PRO 843           HD2      PRO  33   9.745   1.593  -4.496
  229    HD3  PRO 843           HD3      PRO  33  10.759   2.953  -3.936
  230    H    GLU 844           H        GLU  34  10.305  -1.114  -3.538
  231    HA   GLU 844           HA       GLU  34   8.824  -3.111  -2.048
  232    HB2  GLU 844           HB2      GLU  34  10.191  -2.940  -4.778
  233    HB3  GLU 844           HB3      GLU  34   9.426  -4.416  -4.265
  234    HG2  GLU 844           HG2      GLU  34   8.097  -1.680  -4.571
  235    HG3  GLU 844           HG3      GLU  34   8.012  -3.020  -5.702
  236    H    MET 845           H        MET  35  12.061  -2.483  -3.051
  237    HA   MET 845           HA       MET  35  13.326  -4.917  -1.971
  238    HB2  MET 845           HB2      MET  35  12.987  -4.792  -4.404
  239    HB3  MET 845           HB3      MET  35  13.629  -3.185  -4.451
  240    HG2  MET 845           HG2      MET  35  15.227  -4.820  -5.235
  241    HG3  MET 845           HG3      MET  35  15.852  -4.069  -3.828
  242    HE1  MET 845           HE1      MET  35  13.228  -7.131  -4.193
  243    HE2  MET 845           HE2      MET  35  14.388  -8.471  -4.128
  244    HE3  MET 845           HE3      MET  35  14.457  -7.314  -5.471
  245    H    SER 846           H        SER  36  12.804  -2.801  -0.387
  246    HA   SER 846           HA       SER  36  14.744  -0.657  -0.739
  247    HB2  SER 846           HB2      SER  36  13.753   0.235   1.383
  248    HB3  SER 846           HB3      SER  36  12.709  -0.021  -0.028
  249    HG   SER 846           HG       SER  36  11.580  -1.488   1.064
  250    H    LEU 847           H        LEU  37  16.508  -2.038  -0.860
  251    HA   LEU 847           HA       LEU  37  17.487  -3.543   1.228
  252    HB2  LEU 847           HB2      LEU  37  18.832  -2.260  -1.107
  253    HB3  LEU 847           HB3      LEU  37  19.794  -2.860   0.240
  254    HG   LEU 847           HG       LEU  37  18.333  -5.034  -0.102
  255   HD11  LEU 847          HD11      LEU  37  17.059  -4.343  -1.931
  256   HD12  LEU 847          HD12      LEU  37  18.244  -5.529  -2.514
  257   HD13  LEU 847          HD13      LEU  37  18.512  -3.787  -2.810
  258   HD21  LEU 847          HD21      LEU  37  20.230  -5.984  -1.307
  259   HD22  LEU 847          HD22      LEU  37  20.792  -4.886  -0.041
  260   HD23  LEU 847          HD23      LEU  37  20.793  -4.349  -1.719
  261    H    ASP 848           H        ASP  38  19.092  -3.187   2.716
  262    HA   ASP 848           HA       ASP  38  20.307  -0.583   3.172
  263    HB2  ASP 848           HB2      ASP  38  18.928  -1.943   5.497
  264    HB3  ASP 848           HB3      ASP  38  19.858  -0.441   5.511
  265    H    PHE 849           H        PHE  39  22.266  -0.844   4.373
  266    HA   PHE 849           HA       PHE  39  23.121  -3.603   4.995
  267    HB2  PHE 849           HB2      PHE  39  24.712  -1.507   3.528
  268    HB3  PHE 849           HB3      PHE  39  25.386  -2.979   4.193
  269    HD1  PHE 849           HD1      PHE  39  23.066  -4.907   3.274
  270    HD2  PHE 849           HD2      PHE  39  25.329  -1.846   1.259
  271    HE1  PHE 849           HE1      PHE  39  22.668  -6.033   1.092
  272    HE2  PHE 849           HE2      PHE  39  25.019  -3.033  -0.887
  273    HZ   PHE 849           HZ       PHE  39  23.684  -5.130  -0.972
  274    H    CYS 850           H        CYS  40  24.792  -3.766   6.597
  275    HA   CYS 850           HA       CYS  40  24.865  -1.463   8.434
  276    HB2  CYS 850           HB2      CYS  40  25.689  -3.027  10.108
  277    HB3  CYS 850           HB3      CYS  40  24.204  -3.625   9.379
  278    H    ASP 851           H        ASP  41  27.032  -0.930   9.513
  279    HA   ASP 851           HA       ASP  41  28.833  -0.250   7.374
  280    HB2  ASP 851           HB2      ASP  41  28.390   1.165   9.253
  281    HB3  ASP 851           HB3      ASP  41  29.186   0.095  10.374
  282    H    SER 852           H        SER  42  28.622  -3.122   9.124
  283    HA   SER 852           HA       SER  42  31.368  -4.091   8.633
  284    HB2  SER 852           HB2      SER  42  28.724  -5.507   9.159
  285    HB3  SER 852           HB3      SER  42  30.245  -6.320   9.114
  286    HG   SER 852           HG       SER  42  30.914  -5.097  10.980
  287    H    CYS 853           H        CYS  43  28.456  -3.641   6.785
  288    HA   CYS 853           HA       CYS  43  29.127  -5.827   4.928
  289    HB2  CYS 853           HB2      CYS  43  26.530  -4.763   6.013
  290    HB3  CYS 853           HB3      CYS  43  26.568  -5.551   4.432
  291    H    SER 854           H        SER  44  28.306  -2.273   4.848
  292    HA   SER 854           HA       SER  44  27.462  -2.458   2.103
  293    HB2  SER 854           HB2      SER  44  26.844  -0.688   3.842
  294    HB3  SER 854           HB3      SER  44  28.337   0.117   3.318
  295    HG   SER 854           HG       SER  44  27.559   0.262   1.257
  296    H    ASP 855           H        ASP  45  30.558  -2.786   3.158
  297    HA   ASP 855           HA       ASP  45  32.133  -1.513   1.131
  298    HB2  ASP 855           HB2      ASP  45  32.702  -4.250   2.292
  299    HB3  ASP 855           HB3      ASP  45  33.839  -3.003   1.816
  300    H    CYS 856           H        CYS  46  29.911  -4.163   1.095
  301    HA   CYS 856           HA       CYS  46  30.871  -5.468  -1.349
  302    HB2  CYS 856           HB2      CYS  46  29.813  -6.762   0.400
  303    HB3  CYS 856           HB3      CYS  46  28.329  -5.785   0.316
  304    HG   CYS 856           HG       CYS  46  27.998  -8.218  -0.738
  305    H    LEU 857           H        LEU  47  29.939  -5.420  -3.304
  306    HA   LEU 857           HA       LEU  47  28.026  -3.229  -4.013
  307    HB2  LEU 857           HB2      LEU  47  30.454  -2.550  -4.238
  308    HB3  LEU 857           HB3      LEU  47  30.614  -3.803  -5.460
  309    HG   LEU 857           HG       LEU  47  28.704  -2.644  -6.705
  310   HD11  LEU 857          HD11      LEU  47  28.347  -0.234  -6.199
  311   HD12  LEU 857          HD12      LEU  47  29.281  -0.429  -4.700
  312   HD13  LEU 857          HD13      LEU  47  27.739  -1.288  -4.921
  313   HD21  LEU 857          HD21      LEU  47  31.251  -1.035  -6.235
  314   HD22  LEU 857          HD22      LEU  47  30.168  -0.891  -7.644
  315   HD23  LEU 857          HD23      LEU  47  31.072  -2.391  -7.370
  316    H    HIS 858           H        HIS  48  26.832  -5.295  -3.679
  317    HA   HIS 858           HA       HIS  48  26.838  -7.408  -5.663
  318    HB2  HIS 858           HB2      HIS  48  26.091  -7.559  -3.225
  319    HB3  HIS 858           HB3      HIS  48  24.727  -6.551  -3.637
  320    HD2  HIS 858           HD2      HIS  48  22.773  -8.228  -3.266
  321    HE1  HIS 858           HE1      HIS  48  24.186 -11.497  -5.621
  322    HE2  HIS 858           HE2      HIS  48  22.249 -10.634  -4.216
  323    H    GLU 859           H        GLU  49  25.043  -8.092  -6.866
  324    HA   GLU 859           HA       GLU  49  23.345  -5.968  -7.937
  325    HB2  GLU 859           HB2      GLU  49  24.822  -7.931  -9.717
  326    HB3  GLU 859           HB3      GLU  49  23.674  -6.690 -10.116
  327    HG2  GLU 859           HG2      GLU  49  25.481  -5.048  -9.009
  328    HG3  GLU 859           HG3      GLU  49  26.556  -6.386  -9.400
  329    H    THR 860           H        THR  50  21.320  -6.556  -8.010
  330    HA   THR 860           HA       THR  50  20.470  -9.420  -8.240
  331    HB   THR 860           HB       THR  50  18.528  -8.968  -6.954
  332    HG1  THR 860           HG1      THR  50  18.033  -6.967  -6.125
  333   HG21  THR 860          HG21      THR  50  19.332  -8.402  -4.742
  334   HG22  THR 860          HG22      THR  50  20.793  -7.649  -5.412
  335   HG23  THR 860          HG23      THR  50  20.539  -9.403  -5.576
  336    H    ASP 861           H        ASP  51  17.707  -8.693  -8.803
  337    HA   ASP 861           HA       ASP  51  17.824  -7.872 -11.575
  338    HB2  ASP 861           HB2      ASP  51  15.500  -7.974  -9.612
  339    HB3  ASP 861           HB3      ASP  51  15.347  -7.726 -11.348
  340    H    ILE 862           H        ILE  52  17.810  -6.045  -8.609
  341    HA   ILE 862           HA       ILE  52  17.209  -3.494 -10.041
  342    HB   ILE 862           HB       ILE  52  16.098  -4.335  -7.338
  343   HG12  ILE 862          HG12      ILE  52  14.859  -4.261 -10.097
  344   HG13  ILE 862          HG13      ILE  52  14.949  -5.608  -8.977
  345   HG21  ILE 862          HG21      ILE  52  16.526  -1.978  -7.329
  346   HG22  ILE 862          HG22      ILE  52  14.810  -2.154  -7.675
  347   HG23  ILE 862          HG23      ILE  52  15.945  -1.789  -8.997
  348   HD11  ILE 862          HD11      ILE  52  12.698  -4.894  -8.972
  349   HD12  ILE 862          HD12      ILE  52  13.129  -3.200  -8.719
  350   HD13  ILE 862          HD13      ILE  52  13.395  -4.391  -7.416
  351    H    HIS 863           H        HIS  53  18.699  -4.924  -7.083
  352    HA   HIS 863           HA       HIS  53  20.157  -2.449  -6.472
  353    HB2  HIS 863           HB2      HIS  53  19.459  -3.995  -4.728
  354    HB3  HIS 863           HB3      HIS  53  20.336  -5.309  -5.454
  355    HD2  HIS 863           HD2      HIS  53  22.873  -5.571  -4.981
  356    HE1  HIS 863           HE1      HIS  53  23.395  -2.202  -2.444
  357    H    LYS 864           H        LYS  54  22.328  -2.046  -7.160
  358    HA   LYS 864           HA       LYS  54  23.592  -3.877  -9.116
  359    HB2  LYS 864           HB2      LYS  54  22.759  -1.021  -9.793
  360    HB3  LYS 864           HB3      LYS  54  23.721  -2.061 -10.830
  361    HG2  LYS 864           HG2      LYS  54  20.856  -2.467 -10.063
  362    HG3  LYS 864           HG3      LYS  54  21.414  -1.803 -11.583
  363    HD2  LYS 864           HD2      LYS  54  22.378  -3.849 -12.326
  364    HD3  LYS 864           HD3      LYS  54  22.240  -4.619 -10.736
  365    HE2  LYS 864           HE2      LYS  54  19.804  -4.535 -10.836
  366    HE3  LYS 864           HE3      LYS  54  19.851  -3.651 -12.351
  367    HZ1  LYS 864           HZ1      LYS  54  19.479  -5.911 -12.925
  368    HZ2  LYS 864           HZ2      LYS  54  20.645  -6.480 -11.931
  369    HZ3  LYS 864           HZ3      LYS  54  21.047  -5.658 -13.313
  370    H    GLU 865           H        GLU  55  25.639  -3.018  -9.954
  371    HA   GLU 865           HA       GLU  55  27.266  -1.743  -7.946
  372    HB2  GLU 865           HB2      GLU  55  27.640  -2.180 -10.909
  373    HB3  GLU 865           HB3      GLU  55  28.897  -1.475  -9.893
  374    HG2  GLU 865           HG2      GLU  55  29.203  -3.518  -8.675
  375    HG3  GLU 865           HG3      GLU  55  27.753  -4.233  -9.364
  376    H    ASP 866           H        ASP  56  24.977  -0.496 -10.231
  377    HA   ASP 866           HA       ASP  56  26.364   2.098 -10.713
  378    HB2  ASP 866           HB2      ASP  56  25.115   0.961 -12.534
  379    HB3  ASP 866           HB3      ASP  56  23.637   1.032 -11.575
  380    H    HIS 867           H        HIS  57  23.488   0.792  -9.100
  381    HA   HIS 867           HA       HIS  57  22.343   2.934  -7.871
  382    HB2  HIS 867           HB2      HIS  57  21.176   0.963  -7.814
  383    HB3  HIS 867           HB3      HIS  57  22.610  -0.039  -7.639
  384    HD2  HIS 867           HD2      HIS  57  23.508  -0.527  -5.284
  385    HE1  HIS 867           HE1      HIS  57  20.520   1.628  -3.120
  386    H    GLN 868           H        GLN  58  22.807   4.150  -6.173
  387    HA   GLN 868           HA       GLN  58  25.461   4.052  -4.949
  388    HB2  GLN 868           HB2      GLN  58  23.243   6.100  -4.863
  389    HB3  GLN 868           HB3      GLN  58  24.834   6.311  -4.125
  390    HG2  GLN 868           HG2      GLN  58  24.233   5.918  -7.103
  391    HG3  GLN 868           HG3      GLN  58  24.623   7.430  -6.295
  392   HE21  GLN 868          HE21      GLN  58  25.990   4.628  -7.895
  393   HE22  GLN 868          HE22      GLN  58  27.653   4.991  -7.463
  394    H    LEU 869           H        LEU  59  26.008   4.149  -2.727
  395    HA   LEU 869           HA       LEU  59  23.915   3.255  -0.796
  396    HB2  LEU 869           HB2      LEU  59  26.937   3.020  -0.586
  397    HB3  LEU 869           HB3      LEU  59  25.738   2.386   0.508
  398    HG   LEU 869           HG       LEU  59  26.739   0.666  -0.757
  399   HD11  LEU 869          HD11      LEU  59  24.703  -0.503  -1.559
  400   HD12  LEU 869          HD12      LEU  59  23.814   1.015  -1.495
  401   HD13  LEU 869          HD13      LEU  59  24.496   0.300   0.009
  402   HD21  LEU 869          HD21      LEU  59  27.220   1.856  -2.895
  403   HD22  LEU 869          HD22      LEU  59  25.531   1.518  -3.368
  404   HD23  LEU 869          HD23      LEU  59  26.634   0.189  -3.014
  405    H    GLU 870           H        GLU  60  23.837   4.304   1.301
  406    HA   GLU 870           HA       GLU  60  25.313   6.902   1.517
  407    HB2  GLU 870           HB2      GLU  60  23.189   7.378   0.570
  408    HB3  GLU 870           HB3      GLU  60  22.344   6.404   1.754
  409    HG2  GLU 870           HG2      GLU  60  22.037   8.758   2.186
  410    HG3  GLU 870           HG3      GLU  60  22.916   8.011   3.506
  411    HA   PRO 871           HA       PRO  61  25.719   5.213   5.774
  412    HB2  PRO 871           HB2      PRO  61  27.811   6.714   6.571
  413    HB3  PRO 871           HB3      PRO  61  27.996   5.354   5.443
  414    HG2  PRO 871           HG2      PRO  61  27.905   8.311   4.825
  415    HG3  PRO 871           HG3      PRO  61  28.978   7.056   4.141
  416    HD2  PRO 871           HD2      PRO  61  26.626   8.001   2.947
  417    HD3  PRO 871           HD3      PRO  61  27.352   6.413   2.602
  418    H    ILE 872           H        ILE  62  23.873   5.885   6.728
  419    HA   ILE 872           HA       ILE  62  23.376   8.706   7.382
  420    HB   ILE 872           HB       ILE  62  21.746   6.251   8.086
  421   HG12  ILE 872          HG12      ILE  62  21.497   8.153   5.715
  422   HG13  ILE 872          HG13      ILE  62  21.964   6.449   5.649
  423   HG21  ILE 872          HG21      ILE  62  19.962   7.855   8.558
  424   HG22  ILE 872          HG22      ILE  62  20.985   9.206   8.011
  425   HG23  ILE 872          HG23      ILE  62  21.380   8.306   9.483
  426   HD11  ILE 872          HD11      ILE  62  19.714   5.802   6.507
  427   HD12  ILE 872          HD12      ILE  62  19.659   6.668   4.960
  428   HD13  ILE 872          HD13      ILE  62  19.225   7.514   6.444
  429    H    TYR 873           H        TYR  63  24.419   9.565   9.044
  430    HA   TYR 873           HA       TYR  63  25.393   7.941  11.291
  431    HB2  TYR 873           HB2      TYR  63  25.743  10.864  10.557
  432    HB3  TYR 873           HB3      TYR  63  26.424  10.085  11.976
  433    HD1  TYR 873           HD1      TYR  63  28.392  11.345  10.550
  434    HD2  TYR 873           HD2      TYR  63  26.578   7.563   9.550
  435    HE1  TYR 873           HE1      TYR  63  30.493  10.627   9.402
  436    HE2  TYR 873           HE2      TYR  63  28.705   6.783   8.570
  437    HH   TYR 873           HH       TYR  63  30.873   7.357   7.964
  438    H    ARG 874           H        ARG  64  22.516   8.797  10.959
  439    HA   ARG 874           HA       ARG  64  21.927   9.466  13.761
  440    HB2  ARG 874           HB2      ARG  64  20.851  11.045  11.375
  441    HB3  ARG 874           HB3      ARG  64  20.239  11.202  13.014
  442    HG2  ARG 874           HG2      ARG  64  23.045  11.917  12.080
  443    HG3  ARG 874           HG3      ARG  64  21.762  13.041  12.500
  444    HD2  ARG 874           HD2      ARG  64  22.981  11.018  14.426
  445    HD3  ARG 874           HD3      ARG  64  23.501  12.700  14.317
  446    HE   ARG 874           HE       ARG  64  21.030  11.643  15.519
  447   HH11  ARG 874          HH11      ARG  64  19.625  13.012  16.572
  448   HH12  ARG 874          HH12      ARG  64  19.895  14.728  16.537
  449   HH21  ARG 874          HH21      ARG  64  22.632  14.591  14.486
  450   HH22  ARG 874          HH22      ARG  64  21.538  15.605  15.380
  451    H1   ALA   1           H1       ALA  65  17.225  -3.854   3.568
  452    H2   ALA   1           H2       ALA  65  17.064  -3.655   5.181
  453    H3   ALA   1           H3       ALA  65  16.521  -2.481   4.157
  454    HA   ALA   1           HA       ALA  65  14.866  -3.913   3.272
  455    HB1  ALA   1           HB1      ALA  65  15.551  -6.027   3.232
  456    HB2  ALA   1           HB2      ALA  65  14.556  -6.148   4.681
  457    HB3  ALA   1           HB3      ALA  65  16.320  -5.988   4.844
  458    H    ARG   2           H        ARG  66  12.905  -3.116   4.008
  459    HA   ARG   2           HA       ARG  66  12.591  -2.012   6.673
  460    HB2  ARG   2           HB2      ARG  66  10.649  -2.719   4.429
  461    HB3  ARG   2           HB3      ARG  66  10.126  -2.008   5.959
  462    HG2  ARG   2           HG2      ARG  66  11.361   0.008   5.572
  463    HG3  ARG   2           HG3      ARG  66  12.191  -0.670   4.167
  464    HD2  ARG   2           HD2      ARG  66  10.364   0.849   3.503
  465    HD3  ARG   2           HD3      ARG  66  10.093  -0.802   2.930
  466    HE   ARG   2           HE       ARG  66   8.830   0.016   5.514
  467   HH11  ARG   2          HH11      ARG  66   6.907  -0.417   5.882
  468   HH12  ARG   2          HH12      ARG  66   5.744  -0.867   4.632
  469   HH21  ARG   2          HH21      ARG  66   8.157  -0.724   2.128
  470   HH22  ARG   2          HH22      ARG  66   6.486  -1.053   2.497
  471    H    THR   3           H        THR  67  12.000  -2.911   8.545
  472    HA   THR   3           HA       THR  67  10.495  -5.492   8.611
  473    HB   THR   3           HB       THR  67  11.738  -6.240  10.540
  474    HG1  THR   3           HG1      THR  67  13.658  -5.136  11.135
  475   HG21  THR   3          HG21      THR  67  12.643  -6.766   8.219
  476   HG22  THR   3          HG22      THR  67  13.831  -6.821   9.538
  477   HG23  THR   3          HG23      THR  67  13.773  -5.409   8.447
  478    H    LYS   4           H        LYS  68   9.476  -5.831  10.850
  479    HA   LYS   4           HA       LYS  68   7.712  -5.183  12.146
  480    HB2  LYS   4           HB2      LYS  68   9.749  -4.412  13.378
  481    HB3  LYS   4           HB3      LYS  68   9.454  -2.771  12.801
  482    HG2  LYS   4           HG2      LYS  68   7.382  -2.628  14.001
  483    HG3  LYS   4           HG3      LYS  68   7.385  -4.356  14.390
  484    HD2  LYS   4           HD2      LYS  68   9.436  -2.336  15.400
  485    HD3  LYS   4           HD3      LYS  68   7.981  -2.818  16.277
  486    HE2  LYS   4           HE2      LYS  68   8.770  -5.213  16.192
  487    HE3  LYS   4           HE3      LYS  68  10.287  -4.656  15.476
  488    HZ1  LYS   4           HZ1      LYS  68   9.259  -3.868  18.160
  489    HZ2  LYS   4           HZ2      LYS  68  10.657  -3.320  17.512
  490    HZ3  LYS   4           HZ3      LYS  68  10.485  -4.902  17.887
  491    H    GLN   5           H        GLN  69   7.252  -4.730   9.544
  492    HA   GLN   5           HA       GLN  69   6.400  -2.058   8.876
  493    HB2  GLN   5           HB2      GLN  69   5.593  -4.679   7.547
  494    HB3  GLN   5           HB3      GLN  69   5.465  -3.042   6.883
  495    HG2  GLN   5           HG2      GLN  69   8.002  -2.874   7.031
  496    HG3  GLN   5           HG3      GLN  69   8.035  -4.580   7.478
  497   HE21  GLN   5          HE21      GLN  69   9.382  -4.929   5.495
  498   HE22  GLN   5          HE22      GLN  69   8.532  -5.022   3.957
  499    H    THR   6           H        THR  70   4.272  -1.262   8.562
  500    HA   THR   6           HA       THR  70   2.162  -0.746   9.144
  501    HB   THR   6           HB       THR  70   1.678  -3.735   9.226
  502    HG1  THR   6           HG1      THR  70   2.594  -3.118   7.275
  503   HG21  THR   6          HG21      THR  70  -0.221  -1.398   8.793
  504   HG22  THR   6          HG22      THR  70  -0.360  -2.721   9.982
  505   HG23  THR   6          HG23      THR  70  -0.575  -3.061   8.273
  506    H    ALA   7           H        ALA  71   4.121  -1.888  11.549
  507    HA   ALA   7           HA       ALA  71   2.289  -2.362  13.680
  508    HB1  ALA   7           HB1      ALA  71   4.624  -3.169  13.640
  509    HB2  ALA   7           HB2      ALA  71   4.292  -2.212  15.097
  510    HB3  ALA   7           HB3      ALA  71   5.209  -1.492  13.756
  511    H    ARG   8           H        ARG  72   1.512  -1.121  15.319
  512    HA   ARG   8           HA       ARG  72   0.532   0.720  16.286
  513    HB2  ARG   8           HB2      ARG  72   3.360   1.823  16.081
  514    HB3  ARG   8           HB3      ARG  72   2.085   2.368  17.183
  515    HG2  ARG   8           HG2      ARG  72   1.998   0.035  18.145
  516    HG3  ARG   8           HG3      ARG  72   3.432  -0.369  17.194
  517    HD2  ARG   8           HD2      ARG  72   3.230   1.844  19.279
  518    HD3  ARG   8           HD3      ARG  72   3.959   0.250  19.536
  519    HE   ARG   8           HE       ARG  72   5.305   1.320  17.326
  520   HH11  ARG   8          HH11      ARG  72   4.985   2.181  20.709
  521   HH12  ARG   8          HH12      ARG  72   6.523   2.999  20.748
  522   HH21  ARG   8          HH21      ARG  72   7.257   2.406  17.435
  523   HH22  ARG   8          HH22      ARG  72   7.769   3.120  18.935
  524    H    LYS   9           H        LYS  73  -0.227   0.674  13.807
  525    HA   LYS   9           HA       LYS  73  -1.274   1.738  12.138
  526    HB2  LYS   9           HB2      LYS  73  -2.159   3.015  14.103
  527    HB3  LYS   9           HB3      LYS  73  -0.994   4.298  13.744
  528    HG2  LYS   9           HG2      LYS  73  -2.027   4.655  11.540
  529    HG3  LYS   9           HG3      LYS  73  -3.125   3.287  11.819
  530    HD2  LYS   9           HD2      LYS  73  -4.120   4.479  13.751
  531    HD3  LYS   9           HD3      LYS  73  -3.009   5.842  13.484
  532    HE2  LYS   9           HE2      LYS  73  -3.972   6.169  11.211
  533    HE3  LYS   9           HE3      LYS  73  -5.067   4.812  11.477
  534    HZ1  LYS   9           HZ1      LYS  73  -6.078   6.068  13.317
  535    HZ2  LYS   9           HZ2      LYS  73  -6.163   6.940  11.941
  536    HZ3  LYS   9           HZ3      LYS  73  -5.058   7.323  13.081
  537    H    SER  10           H        SER  74   1.830   3.164  12.913
  538    HA   SER  10           HA       SER  74   2.308   4.575  10.462
  539    HB2  SER  10           HB2      SER  74   3.739   4.818  12.441
  540    HB3  SER  10           HB3      SER  74   4.240   3.120  12.310
  541    HG   SER  10           HG       SER  74   5.711   4.711  11.340
  542    H    THR  11           H        THR  75   3.357   3.932   8.526
  543    HA   THR  11           HA       THR  75   2.746   1.266   7.567
  544    HB   THR  11           HB       THR  75   3.964   2.016   5.515
  545    HG1  THR  11           HG1      THR  75   5.443   3.484   6.259
  546   HG21  THR  11          HG21      THR  75   2.352   3.719   4.857
  547   HG22  THR  11          HG22      THR  75   1.917   4.022   6.553
  548   HG23  THR  11          HG23      THR  75   1.542   2.454   5.802
  549    H    GLY  12           H        GLY  76   5.591   2.655   9.064
  550    HA2  GLY  12           HA2      GLY  76   7.690   1.826   9.562
  551    HA3  GLY  12           HA3      GLY  76   7.010   0.204   9.405
  Start of MODEL   11
    1    H1   GLY 811           H1       GLY   1  20.187  10.272  19.638
    2    H2   GLY 811           H2       GLY   1  21.284  10.654  20.796
    3    H3   GLY 811           H3       GLY   1  20.092   9.584  21.117
    4    HA2  GLY 811           HA2      GLY   1  22.149   8.363  20.798
    5    HA3  GLY 811           HA3      GLY   1  20.969   7.987  19.544
    6    HA   PRO 812           HA       PRO   2  24.609  10.337  17.461
    7    HB2  PRO 812           HB2      PRO   2  26.927   9.419  19.082
    8    HB3  PRO 812           HB3      PRO   2  26.507  11.079  18.576
    9    HG2  PRO 812           HG2      PRO   2  26.311  10.307  21.157
   10    HG3  PRO 812           HG3      PRO   2  25.080  11.391  20.423
   11    HD2  PRO 812           HD2      PRO   2  24.949   8.364  20.717
   12    HD3  PRO 812           HD3      PRO   2  23.765   9.593  21.267
   13    H    LEU 813           H        LEU   3  26.631   9.616  16.292
   14    HA   LEU 813           HA       LEU   3  26.347   7.157  15.001
   15    HB2  LEU 813           HB2      LEU   3  27.588   8.959  14.054
   16    HB3  LEU 813           HB3      LEU   3  28.722   9.026  15.392
   17    HG   LEU 813           HG       LEU   3  28.623   6.478  13.784
   18   HD11  LEU 813          HD11      LEU   3  30.189   7.399  12.134
   19   HD12  LEU 813          HD12      LEU   3  30.038   9.013  12.872
   20   HD13  LEU 813          HD13      LEU   3  28.644   8.251  12.085
   21   HD21  LEU 813          HD21      LEU   3  31.020   6.461  14.173
   22   HD22  LEU 813          HD22      LEU   3  30.167   6.599  15.701
   23   HD23  LEU 813          HD23      LEU   3  30.933   8.037  14.993
   24    H    GLY 814           H        GLY   4  27.135   5.092  15.295
   25    HA2  GLY 814           HA2      GLY   4  28.164   3.272  16.350
   26    HA3  GLY 814           HA3      GLY   4  28.993   4.369  17.460
   27    H    SER 815           H        SER   5  25.880   5.359  17.822
   28    HA   SER 815           HA       SER   5  24.927   3.087  19.516
   29    HB2  SER 815           HB2      SER   5  24.218   5.981  19.993
   30    HB3  SER 815           HB3      SER   5  23.997   4.619  21.084
   31    HG   SER 815           HG       SER   5  26.228   4.555  21.467
   32    H    VAL 816           H        VAL   6  24.441   4.868  16.742
   33    HA   VAL 816           HA       VAL   6  21.601   5.295  16.839
   34    HB   VAL 816           HB       VAL   6  23.885   5.717  15.099
   35   HG11  VAL 816          HG11      VAL   6  22.754   6.036  13.026
   36   HG12  VAL 816          HG12      VAL   6  21.254   5.318  13.672
   37   HG13  VAL 816          HG13      VAL   6  22.720   4.303  13.470
   38   HG21  VAL 816          HG21      VAL   6  21.243   7.100  15.310
   39   HG22  VAL 816          HG22      VAL   6  22.824   7.690  14.707
   40   HG23  VAL 816          HG23      VAL   6  22.647   7.316  16.411
   41    H    GLN 817           H        GLN   7  19.989   4.109  15.799
   42    HA   GLN 817           HA       GLN   7  20.566   1.315  15.028
   43    HB2  GLN 817           HB2      GLN   7  19.103   0.485  16.937
   44    HB3  GLN 817           HB3      GLN   7  20.763   0.952  17.284
   45    HG2  GLN 817           HG2      GLN   7  20.112   3.107  18.195
   46    HG3  GLN 817           HG3      GLN   7  18.442   2.827  17.836
   47   HE21  GLN 817          HE21      GLN   7  19.002   3.559  20.325
   48   HE22  GLN 817          HE22      GLN   7  19.131   2.226  21.457
   49    H    HIS 818           H        HIS   8  19.548   1.280  13.238
   50    HA   HIS 818           HA       HIS   8  16.945   2.574  12.877
   51    HB2  HIS 818           HB2      HIS   8  18.915   1.157  11.077
   52    HB3  HIS 818           HB3      HIS   8  17.297   1.606  10.535
   53    HD2  HIS 818           HD2      HIS   8  20.310   3.526  12.140
   54    HE1  HIS 818           HE1      HIS   8  17.798   6.343  10.162
   55    HE2  HIS 818           HE2      HIS   8  19.877   6.082  11.551
   56    H    VAL 819           H        VAL   9  16.297   1.094  14.717
   57    HA   VAL 819           HA       VAL   9  15.402  -1.535  14.533
   58    HB   VAL 819           HB       VAL   9  14.139   0.837  15.883
   59   HG11  VAL 819          HG11      VAL   9  13.148  -0.829  17.401
   60   HG12  VAL 819          HG12      VAL   9  13.796  -2.149  16.405
   61   HG13  VAL 819          HG13      VAL   9  12.528  -1.066  15.761
   62   HG21  VAL 819          HG21      VAL   9  16.100  -1.283  16.849
   63   HG22  VAL 819          HG22      VAL   9  15.319  -0.066  17.874
   64   HG23  VAL 819          HG23      VAL   9  16.443   0.448  16.626
   65    H    GLY 820           H        GLY  10  14.599  -2.395  12.771
   66    HA2  GLY 820           HA2      GLY  10  12.719  -2.984  11.496
   67    HA3  GLY 820           HA3      GLY  10  12.151  -1.349  11.408
   68    H    PHE 821           H        PHE  11  15.590  -1.671  10.788
   69    HA   PHE 821           HA       PHE  11  15.157  -1.991   7.835
   70    HB2  PHE 821           HB2      PHE  11  16.986   0.016   9.151
   71    HB3  PHE 821           HB3      PHE  11  16.899  -0.316   7.441
   72    HD1  PHE 821           HD1      PHE  11  15.063   1.192  10.309
   73    HD2  PHE 821           HD2      PHE  11  15.188   0.624   6.036
   74    HE1  PHE 821           HE1      PHE  11  13.431   3.039  10.021
   75    HE2  PHE 821           HE2      PHE  11  13.529   2.461   5.757
   76    HZ   PHE 821           HZ       PHE  11  12.648   3.661   7.741
   77    H    LYS 822           H        LYS  12  15.975  -3.953   7.558
   78    HA   LYS 822           HA       LYS  12  18.142  -5.045   9.100
   79    HB2  LYS 822           HB2      LYS  12  16.169  -6.355   8.390
   80    HB3  LYS 822           HB3      LYS  12  16.558  -6.035   6.715
   81    HG2  LYS 822           HG2      LYS  12  18.792  -7.287   7.187
   82    HG3  LYS 822           HG3      LYS  12  18.042  -7.896   8.627
   83    HD2  LYS 822           HD2      LYS  12  16.827  -8.132   5.880
   84    HD3  LYS 822           HD3      LYS  12  17.980  -9.317   6.489
   85    HE2  LYS 822           HE2      LYS  12  16.567  -9.764   8.423
   86    HE3  LYS 822           HE3      LYS  12  15.321  -8.639   7.844
   87    HZ1  LYS 822           HZ1      LYS  12  14.784 -10.941   7.237
   88    HZ2  LYS 822           HZ2      LYS  12  16.183 -11.135   6.427
   89    HZ3  LYS 822           HZ3      LYS  12  15.047 -10.093   5.870
   90    H    CYS 823           H        CYS  13  20.263  -5.581   8.402
   91    HA   CYS 823           HA       CYS  13  21.402  -4.386   5.984
   92    HB2  CYS 823           HB2      CYS  13  22.839  -4.646   7.946
   93    HB3  CYS 823           HB3      CYS  13  22.436  -6.363   8.044
   94    H    ASP 824           H        ASP  14  20.831  -5.323   3.971
   95    HA   ASP 824           HA       ASP  14  19.790  -7.991   3.750
   96    HB2  ASP 824           HB2      ASP  14  20.983  -6.172   1.632
   97    HB3  ASP 824           HB3      ASP  14  20.092  -7.650   1.301
   98    H    ASN 825           H        ASN  15  23.056  -7.025   4.088
   99    HA   ASN 825           HA       ASN  15  24.170  -9.188   2.412
  100    HB2  ASN 825           HB2      ASN  15  25.215  -6.939   2.409
  101    HB3  ASN 825           HB3      ASN  15  25.530  -7.109   4.132
  102   HD21  ASN 825          HD21      ASN  15  27.580  -7.609   4.536
  103   HD22  ASN 825          HD22      ASN  15  28.542  -8.747   3.590
  104    H    CYS 826           H        CYS  16  24.255  -8.340   5.946
  105    HA   CYS 826           HA       CYS  16  24.905 -11.186   6.518
  106    HB2  CYS 826           HB2      CYS  16  25.937 -10.482   8.520
  107    HB3  CYS 826           HB3      CYS  16  26.589  -9.533   7.204
  108    H    GLY 827           H        GLY  17  22.245  -9.062   6.686
  109    HA2  GLY 827           HA2      GLY  17  20.121  -9.535   7.238
  110    HA3  GLY 827           HA3      GLY  17  20.559 -11.095   7.824
  111    H    ILE 828           H        ILE  18  22.226  -8.390   9.409
  112    HA   ILE 828           HA       ILE  18  20.716  -8.720  11.885
  113    HB   ILE 828           HB       ILE  18  22.932  -7.936  12.151
  114   HG12  ILE 828          HG12      ILE  18  21.358  -5.382  12.614
  115   HG13  ILE 828          HG13      ILE  18  20.895  -6.842  13.454
  116   HG21  ILE 828          HG21      ILE  18  22.363  -5.429  10.491
  117   HG22  ILE 828          HG22      ILE  18  23.317  -6.813   9.951
  118   HG23  ILE 828          HG23      ILE  18  23.885  -5.860  11.303
  119   HD11  ILE 828          HD11      ILE  18  22.365  -5.516  14.859
  120   HD12  ILE 828          HD12      ILE  18  23.634  -5.532  13.625
  121   HD13  ILE 828          HD13      ILE  18  23.154  -7.046  14.439
  122    H    GLU 829           H        GLU  19  18.766  -8.391  12.018
  123    HA   GLU 829           HA       GLU  19  17.251  -6.930  10.257
  124    HB2  GLU 829           HB2      GLU  19  15.409  -7.258  12.066
  125    HB3  GLU 829           HB3      GLU  19  15.973  -8.508  10.981
  126    HG2  GLU 829           HG2      GLU  19  17.318  -9.519  12.736
  127    HG3  GLU 829           HG3      GLU  19  17.023  -8.156  13.818
  128    HA   PRO 830           HA       PRO  20  17.574  -3.035  11.486
  129    HB2  PRO 830           HB2      PRO  20  17.419  -1.980  13.801
  130    HB3  PRO 830           HB3      PRO  20  16.120  -3.139  13.289
  131    HG2  PRO 830           HG2      PRO  20  18.469  -3.623  15.073
  132    HG3  PRO 830           HG3      PRO  20  16.781  -4.112  15.333
  133    HD2  PRO 830           HD2      PRO  20  18.860  -5.686  14.157
  134    HD3  PRO 830           HD3      PRO  20  17.112  -5.990  13.968
  135    H    ILE 831           H        ILE  21  19.215  -1.855  10.773
  136    HA   ILE 831           HA       ILE  21  21.873  -2.565  11.559
  137    HB   ILE 831           HB       ILE  21  20.812  -0.329   9.827
  138   HG12  ILE 831          HG12      ILE  21  22.412  -2.651   8.799
  139   HG13  ILE 831          HG13      ILE  21  20.787  -3.067   9.351
  140   HG21  ILE 831          HG21      ILE  21  22.975   0.383  10.609
  141   HG22  ILE 831          HG22      ILE  21  23.226  -0.304   9.002
  142   HG23  ILE 831          HG23      ILE  21  23.665  -1.239  10.438
  143   HD11  ILE 831          HD11      ILE  21  19.805  -1.437   7.808
  144   HD12  ILE 831          HD12      ILE  21  20.960  -2.445   6.910
  145   HD13  ILE 831          HD13      ILE  21  21.399  -0.802   7.402
  146    H    GLN 832           H        GLN  22  22.652  -2.153  13.498
  147    HA   GLN 832           HA       GLN  22  22.380   0.473  14.704
  148    HB2  GLN 832           HB2      GLN  22  23.868  -1.924  15.792
  149    HB3  GLN 832           HB3      GLN  22  23.400  -0.456  16.644
  150    HG2  GLN 832           HG2      GLN  22  20.920  -1.245  15.735
  151    HG3  GLN 832           HG3      GLN  22  21.708  -2.809  15.761
  152   HE21  GLN 832          HE21      GLN  22  19.417  -1.920  17.400
  153   HE22  GLN 832          HE22      GLN  22  19.977  -1.954  19.057
  154    H    GLY 833           H        GLY  23  24.131   1.567  15.641
  155    HA2  GLY 833           HA2      GLY  23  26.089   2.748  15.641
  156    HA3  GLY 833           HA3      GLY  23  26.778   1.809  14.373
  157    H    VAL 834           H        VAL  24  25.783   2.079  12.199
  158    HA   VAL 834           HA       VAL  24  24.369   4.595  11.634
  159    HB   VAL 834           HB       VAL  24  25.814   5.199   9.809
  160   HG11  VAL 834          HG11      VAL  24  26.221   6.191  12.034
  161   HG12  VAL 834          HG12      VAL  24  27.682   6.128  11.019
  162   HG13  VAL 834          HG13      VAL  24  27.478   4.962  12.325
  163   HG21  VAL 834          HG21      VAL  24  27.737   3.042  10.636
  164   HG22  VAL 834          HG22      VAL  24  28.095   4.357   9.496
  165   HG23  VAL 834          HG23      VAL  24  26.870   3.178   9.069
  166    H    ARG 835           H        ARG  25  22.941   4.357   9.918
  167    HA   ARG 835           HA       ARG  25  22.752   1.666   8.650
  168    HB2  ARG 835           HB2      ARG  25  20.713   2.415   9.536
  169    HB3  ARG 835           HB3      ARG  25  20.872   4.011   8.801
  170    HG2  ARG 835           HG2      ARG  25  20.597   3.004   6.547
  171    HG3  ARG 835           HG3      ARG  25  20.382   1.404   7.291
  172    HD2  ARG 835           HD2      ARG  25  18.341   2.127   8.379
  173    HD3  ARG 835           HD3      ARG  25  18.687   3.829   7.992
  174    HE   ARG 835           HE       ARG  25  18.340   1.946   5.719
  175   HH11  ARG 835          HH11      ARG  25  17.153   2.410   4.200
  176   HH12  ARG 835          HH12      ARG  25  15.961   3.717   4.236
  177   HH21  ARG 835          HH21      ARG  25  16.695   4.414   7.592
  178   HH22  ARG 835          HH22      ARG  25  15.700   4.858   6.234
  179    H    TRP 836           H        TRP  26  23.548   1.177   6.696
  180    HA   TRP 836           HA       TRP  26  24.333   3.387   4.860
  181    HB2  TRP 836           HB2      TRP  26  25.149   0.556   5.347
  182    HB3  TRP 836           HB3      TRP  26  25.367   1.136   3.798
  183    HD1  TRP 836           HD1      TRP  26  26.849   0.988   7.121
  184    HE1  TRP 836           HE1      TRP  26  29.215   1.987   7.054
  185    HE3  TRP 836           HE3      TRP  26  26.431   3.790   2.869
  186    HZ2  TRP 836           HZ2      TRP  26  30.668   3.912   5.490
  187    HZ3  TRP 836           HZ3      TRP  26  28.365   5.132   2.055
  188    HH2  TRP 836           HH2      TRP  26  30.477   5.204   3.359
  189    H    HIS 837           H        HIS  27  22.328   3.984   3.957
  190    HA   HIS 837           HA       HIS  27  20.380   1.993   2.984
  191    HB2  HIS 837           HB2      HIS  27  19.538   4.006   3.916
  192    HB3  HIS 837           HB3      HIS  27  20.597   5.007   2.922
  193    HD2  HIS 837           HD2      HIS  27  19.378   6.202   1.040
  194    HE1  HIS 837           HE1      HIS  27  16.238   3.417   0.280
  195    HE2  HIS 837           HE2      HIS  27  17.201   5.690  -0.356
  196    H    CYS 838           H        CYS  28  19.928   1.304   0.883
  197    HA   CYS 838           HA       CYS  28  21.864   1.868  -1.238
  198    HB2  CYS 838           HB2      CYS  28  19.757  -0.105  -0.630
  199    HB3  CYS 838           HB3      CYS  28  19.654   0.442  -2.264
  200    H    GLN 839           H        GLN  29  21.741   3.877  -1.935
  201    HA   GLN 839           HA       GLN  29  19.496   5.602  -1.998
  202    HB2  GLN 839           HB2      GLN  29  22.176   5.676  -3.418
  203    HB3  GLN 839           HB3      GLN  29  21.156   7.033  -3.408
  204    HG2  GLN 839           HG2      GLN  29  21.189   6.943  -0.819
  205    HG3  GLN 839           HG3      GLN  29  22.481   5.756  -0.986
  206   HE21  GLN 839          HE21      GLN  29  21.604   9.181  -1.405
  207   HE22  GLN 839          HE22      GLN  29  23.265   9.711  -1.568
  208    H    ASP 840           H        ASP  30  19.597   3.011  -3.958
  209    HA   ASP 840           HA       ASP  30  18.479   4.430  -6.302
  210    HB2  ASP 840           HB2      ASP  30  20.979   3.528  -6.334
  211    HB3  ASP 840           HB3      ASP  30  20.225   2.041  -6.778
  212    H    CYS 841           H        CYS  31  18.460   1.416  -4.317
  213    HA   CYS 841           HA       CYS  31  16.517   0.062  -5.872
  214    HB2  CYS 841           HB2      CYS  31  16.643  -0.151  -2.908
  215    HB3  CYS 841           HB3      CYS  31  16.228  -1.372  -4.003
  216    HA   PRO 842           HA       PRO  32  12.752   2.296  -4.665
  217    HB2  PRO 842           HB2      PRO  32  10.861   0.479  -5.430
  218    HB3  PRO 842           HB3      PRO  32  12.027   1.123  -6.615
  219    HG2  PRO 842           HG2      PRO  32  12.238  -1.455  -5.003
  220    HG3  PRO 842           HG3      PRO  32  12.317  -1.276  -6.774
  221    HD2  PRO 842           HD2      PRO  32  14.566  -1.325  -5.273
  222    HD3  PRO 842           HD3      PRO  32  14.437  -0.245  -6.690
  223    HA   PRO 843           HA       PRO  33  11.304   1.083  -0.586
  224    HB2  PRO 843           HB2      PRO  33   8.467   0.687  -1.431
  225    HB3  PRO 843           HB3      PRO  33   9.137   1.779  -0.185
  226    HG2  PRO 843           HG2      PRO  33   8.228   2.600  -2.634
  227    HG3  PRO 843           HG3      PRO  33   9.567   3.452  -1.771
  228    HD2  PRO 843           HD2      PRO  33   9.671   1.565  -4.095
  229    HD3  PRO 843           HD3      PRO  33  10.721   2.965  -3.717
  230    H    GLU 844           H        GLU  34  10.403  -1.067  -3.265
  231    HA   GLU 844           HA       GLU  34   9.046  -3.061  -1.688
  232    HB2  GLU 844           HB2      GLU  34  10.240  -2.936  -4.498
  233    HB3  GLU 844           HB3      GLU  34   9.436  -4.368  -3.932
  234    HG2  GLU 844           HG2      GLU  34   8.200  -1.582  -4.146
  235    HG3  GLU 844           HG3      GLU  34   8.026  -2.876  -5.321
  236    H    MET 845           H        MET  35  12.240  -2.444  -2.784
  237    HA   MET 845           HA       MET  35  13.508  -4.931  -1.822
  238    HB2  MET 845           HB2      MET  35  13.050  -4.822  -4.209
  239    HB3  MET 845           HB3      MET  35  13.641  -3.188  -4.312
  240    HG2  MET 845           HG2      MET  35  15.160  -4.849  -5.237
  241    HG3  MET 845           HG3      MET  35  15.925  -3.947  -4.007
  242    HE1  MET 845           HE1      MET  35  14.700  -8.435  -3.719
  243    HE2  MET 845           HE2      MET  35  14.546  -7.416  -5.166
  244    HE3  MET 845           HE3      MET  35  13.469  -7.151  -3.772
  245    H    SER 846           H        SER  36  13.067  -2.531  -0.358
  246    HA   SER 846           HA       SER  36  15.041  -0.537  -0.827
  247    HB2  SER 846           HB2      SER  36  14.260   0.320   1.443
  248    HB3  SER 846           HB3      SER  36  12.999   0.029   0.226
  249    HG   SER 846           HG       SER  36  12.171  -1.527   1.427
  250    H    LEU 847           H        LEU  37  16.944  -1.868  -1.028
  251    HA   LEU 847           HA       LEU  37  17.930  -3.371   1.016
  252    HB2  LEU 847           HB2      LEU  37  19.274  -2.156  -1.326
  253    HB3  LEU 847           HB3      LEU  37  20.299  -2.555   0.009
  254    HG   LEU 847           HG       LEU  37  18.848  -4.872  -0.165
  255   HD11  LEU 847          HD11      LEU  37  19.351  -3.851  -2.913
  256   HD12  LEU 847          HD12      LEU  37  17.752  -4.195  -2.202
  257   HD13  LEU 847          HD13      LEU  37  18.879  -5.526  -2.514
  258   HD21  LEU 847          HD21      LEU  37  21.308  -4.647   0.040
  259   HD22  LEU 847          HD22      LEU  37  21.394  -4.140  -1.639
  260   HD23  LEU 847          HD23      LEU  37  20.879  -5.798  -1.242
  261    H    ASP 848           H        ASP  38  19.469  -3.092   2.555
  262    HA   ASP 848           HA       ASP  38  20.717  -0.506   3.077
  263    HB2  ASP 848           HB2      ASP  38  19.340  -1.932   5.358
  264    HB3  ASP 848           HB3      ASP  38  20.229  -0.404   5.398
  265    H    PHE 849           H        PHE  39  22.624  -0.746   4.327
  266    HA   PHE 849           HA       PHE  39  23.520  -3.488   4.957
  267    HB2  PHE 849           HB2      PHE  39  25.215  -1.313   3.737
  268    HB3  PHE 849           HB3      PHE  39  25.803  -2.853   4.330
  269    HD1  PHE 849           HD1      PHE  39  23.732  -4.757   3.175
  270    HD2  PHE 849           HD2      PHE  39  25.802  -1.388   1.440
  271    HE1  PHE 849           HE1      PHE  39  23.432  -5.730   0.911
  272    HE2  PHE 849           HE2      PHE  39  25.531  -2.395  -0.808
  273    HZ   PHE 849           HZ       PHE  39  24.337  -4.549  -1.077
  274    H    CYS 850           H        CYS  40  25.081  -3.615   6.640
  275    HA   CYS 850           HA       CYS  40  24.979  -1.325   8.496
  276    HB2  CYS 850           HB2      CYS  40  25.771  -2.909  10.216
  277    HB3  CYS 850           HB3      CYS  40  24.283  -3.476   9.464
  278    H    ASP 851           H        ASP  41  27.070  -0.773   9.651
  279    HA   ASP 851           HA       ASP  41  28.917  -0.061   7.571
  280    HB2  ASP 851           HB2      ASP  41  28.424   1.350   9.420
  281    HB3  ASP 851           HB3      ASP  41  29.131   0.266  10.592
  282    H    SER 852           H        SER  42  28.740  -2.928   9.381
  283    HA   SER 852           HA       SER  42  31.476  -3.903   8.987
  284    HB2  SER 852           HB2      SER  42  28.792  -5.300   9.294
  285    HB3  SER 852           HB3      SER  42  30.305  -6.139   9.331
  286    HG   SER 852           HG       SER  42  30.860  -4.995  11.263
  287    H    CYS 853           H        CYS  43  28.547  -3.642   7.090
  288    HA   CYS 853           HA       CYS  43  29.430  -5.639   5.115
  289    HB2  CYS 853           HB2      CYS  43  26.738  -4.690   6.098
  290    HB3  CYS 853           HB3      CYS  43  26.920  -5.560   4.565
  291    H    SER 854           H        SER  44  29.020  -2.146   5.275
  292    HA   SER 854           HA       SER  44  27.788  -1.711   2.808
  293    HB2  SER 854           HB2      SER  44  28.653   0.634   3.108
  294    HB3  SER 854           HB3      SER  44  27.778  -0.117   4.435
  295    HG   SER 854           HG       SER  44  30.578   0.421   4.221
  296    H    ASP 855           H        ASP  45  31.012  -2.820   3.107
  297    HA   ASP 855           HA       ASP  45  32.049  -1.708   0.641
  298    HB2  ASP 855           HB2      ASP  45  33.376  -2.814   2.492
  299    HB3  ASP 855           HB3      ASP  45  32.694  -4.360   1.996
  300    H    CYS 856           H        CYS  46  29.412  -3.779   1.213
  301    HA   CYS 856           HA       CYS  46  29.666  -5.579  -1.039
  302    HB2  CYS 856           HB2      CYS  46  28.395  -6.159   0.942
  303    HB3  CYS 856           HB3      CYS  46  27.281  -4.798   0.680
  304    HG   CYS 856           HG       CYS  46  27.784  -7.610  -1.023
  305    H    LEU 857           H        LEU  47  28.725  -5.542  -2.961
  306    HA   LEU 857           HA       LEU  47  27.073  -3.324  -3.979
  307    HB2  LEU 857           HB2      LEU  47  29.526  -2.587  -4.075
  308    HB3  LEU 857           HB3      LEU  47  29.749  -3.855  -5.280
  309    HG   LEU 857           HG       LEU  47  27.840  -2.757  -6.581
  310   HD11  LEU 857          HD11      LEU  47  27.421  -0.352  -6.152
  311   HD12  LEU 857          HD12      LEU  47  28.344  -0.470  -4.638
  312   HD13  LEU 857          HD13      LEU  47  26.817  -1.361  -4.836
  313   HD21  LEU 857          HD21      LEU  47  30.361  -1.117  -6.058
  314   HD22  LEU 857          HD22      LEU  47  29.314  -0.958  -7.480
  315   HD23  LEU 857          HD23      LEU  47  30.210  -2.462  -7.210
  316    H    HIS 858           H        HIS  48  25.956  -5.490  -3.641
  317    HA   HIS 858           HA       HIS  48  26.241  -7.591  -5.655
  318    HB2  HIS 858           HB2      HIS  48  25.450  -7.911  -3.263
  319    HB3  HIS 858           HB3      HIS  48  24.022  -6.994  -3.643
  320    HD2  HIS 858           HD2      HIS  48  22.146  -8.767  -3.500
  321    HE1  HIS 858           HE1      HIS  48  23.865 -11.824  -5.932
  322    HE2  HIS 858           HE2      HIS  48  21.802 -11.137  -4.613
  323    H    GLU 859           H        GLU  49  24.347  -8.370  -6.830
  324    HA   GLU 859           HA       GLU  49  22.737  -6.237  -8.004
  325    HB2  GLU 859           HB2      GLU  49  24.142  -8.308  -9.713
  326    HB3  GLU 859           HB3      GLU  49  23.142  -6.953 -10.149
  327    HG2  GLU 859           HG2      GLU  49  25.011  -5.453  -9.054
  328    HG3  GLU 859           HG3      GLU  49  25.994  -6.906  -9.219
  329    H    THR 860           H        THR  50  20.696  -6.778  -8.037
  330    HA   THR 860           HA       THR  50  19.761  -9.619  -8.081
  331    HB   THR 860           HB       THR  50  17.877  -9.055  -6.769
  332    HG1  THR 860           HG1      THR  50  17.396  -6.999  -6.109
  333   HG21  THR 860          HG21      THR  50  20.222  -7.684  -5.382
  334   HG22  THR 860          HG22      THR  50  19.867  -9.425  -5.366
  335   HG23  THR 860          HG23      THR  50  18.741  -8.282  -4.617
  336    H    ASP 861           H        ASP  51  17.004  -8.839  -8.627
  337    HA   ASP 861           HA       ASP  51  17.079  -8.234 -11.456
  338    HB2  ASP 861           HB2      ASP  51  14.803  -8.121  -9.447
  339    HB3  ASP 861           HB3      ASP  51  14.621  -7.994 -11.195
  340    H    ILE 862           H        ILE  52  17.151  -6.204  -8.630
  341    HA   ILE 862           HA       ILE  52  16.647  -3.726 -10.233
  342    HB   ILE 862           HB       ILE  52  15.596  -4.371  -7.444
  343   HG12  ILE 862          HG12      ILE  52  14.293  -4.271 -10.172
  344   HG13  ILE 862          HG13      ILE  52  14.298  -5.586  -9.014
  345   HG21  ILE 862          HG21      ILE  52  16.164  -2.071  -7.438
  346   HG22  ILE 862          HG22      ILE  52  14.451  -2.091  -7.831
  347   HG23  ILE 862          HG23      ILE  52  15.648  -1.847  -9.126
  348   HD11  ILE 862          HD11      ILE  52  12.684  -3.033  -8.808
  349   HD12  ILE 862          HD12      ILE  52  12.880  -4.188  -7.465
  350   HD13  ILE 862          HD13      ILE  52  12.110  -4.697  -8.982
  351    H    HIS 863           H        HIS  53  18.181  -5.075  -7.272
  352    HA   HIS 863           HA       HIS  53  19.785  -2.670  -6.843
  353    HB2  HIS 863           HB2      HIS  53  19.067  -4.077  -5.027
  354    HB3  HIS 863           HB3      HIS  53  19.820  -5.483  -5.713
  355    HD2  HIS 863           HD2      HIS  53  22.011  -6.150  -4.644
  356    HE1  HIS 863           HE1      HIS  53  23.420  -2.351  -3.366
  357    H    LYS 864           H        LYS  54  21.982  -2.450  -7.534
  358    HA   LYS 864           HA       LYS  54  23.159  -4.327  -9.479
  359    HB2  LYS 864           HB2      LYS  54  22.415  -1.464 -10.209
  360    HB3  LYS 864           HB3      LYS  54  23.297  -2.586 -11.241
  361    HG2  LYS 864           HG2      LYS  54  20.425  -2.816 -10.374
  362    HG3  LYS 864           HG3      LYS  54  20.959  -2.221 -11.930
  363    HD2  LYS 864           HD2      LYS  54  21.724  -4.315 -12.689
  364    HD3  LYS 864           HD3      LYS  54  21.727  -5.040 -11.078
  365    HE2  LYS 864           HE2      LYS  54  19.282  -4.867 -10.939
  366    HE3  LYS 864           HE3      LYS  54  19.221  -4.081 -12.513
  367    HZ1  LYS 864           HZ1      LYS  54  18.762  -6.351 -12.920
  368    HZ2  LYS 864           HZ2      LYS  54  19.958  -6.895 -11.944
  369    HZ3  LYS 864           HZ3      LYS  54  20.314  -6.199 -13.403
  370    H    GLU 865           H        GLU  55  25.315  -3.487 -10.244
  371    HA   GLU 865           HA       GLU  55  26.681  -2.060  -8.127
  372    HB2  GLU 865           HB2      GLU  55  27.634  -2.593 -10.934
  373    HB3  GLU 865           HB3      GLU  55  28.594  -1.838  -9.648
  374    HG2  GLU 865           HG2      GLU  55  28.543  -3.916  -8.361
  375    HG3  GLU 865           HG3      GLU  55  27.408  -4.649  -9.492
  376    H    ASP 866           H        ASP  56  24.493  -0.874 -10.373
  377    HA   ASP 866           HA       ASP  56  25.698   1.708 -10.991
  378    HB2  ASP 866           HB2      ASP  56  22.776   0.866 -10.836
  379    HB3  ASP 866           HB3      ASP  56  23.380   2.359 -11.544
  380    H    HIS 867           H        HIS  57  24.777   0.338  -8.059
  381    HA   HIS 867           HA       HIS  57  23.277   2.283  -6.815
  382    HB2  HIS 867           HB2      HIS  57  24.669  -0.175  -6.068
  383    HB3  HIS 867           HB3      HIS  57  24.898   1.026  -4.828
  384    HD2  HIS 867           HD2      HIS  57  22.251  -1.020  -6.499
  385    HE1  HIS 867           HE1      HIS  57  20.092   1.539  -3.884
  386    H    GLN 868           H        GLN  58  23.645   3.381  -4.959
  387    HA   GLN 868           HA       GLN  58  26.237   4.616  -4.356
  388    HB2  GLN 868           HB2      GLN  58  23.684   6.152  -4.828
  389    HB3  GLN 868           HB3      GLN  58  25.165   6.829  -4.115
  390    HG2  GLN 868           HG2      GLN  58  24.926   5.685  -6.945
  391    HG3  GLN 868           HG3      GLN  58  24.784   7.372  -6.499
  392   HE21  GLN 868          HE21      GLN  58  27.158   4.696  -6.949
  393   HE22  GLN 868          HE22      GLN  58  28.534   5.789  -6.800
  394    H    LEU 869           H        LEU  59  26.594   4.641  -2.167
  395    HA   LEU 869           HA       LEU  59  24.398   3.627  -0.428
  396    HB2  LEU 869           HB2      LEU  59  27.410   3.307  -0.273
  397    HB3  LEU 869           HB3      LEU  59  26.282   2.773   0.958
  398    HG   LEU 869           HG       LEU  59  27.056   0.971  -0.353
  399   HD11  LEU 869          HD11      LEU  59  24.802   0.800   0.631
  400   HD12  LEU 869          HD12      LEU  59  24.880  -0.113  -0.891
  401   HD13  LEU 869          HD13      LEU  59  24.095   1.461  -0.868
  402   HD21  LEU 869          HD21      LEU  59  27.363   2.082  -2.561
  403   HD22  LEU 869          HD22      LEU  59  25.610   1.875  -2.820
  404   HD23  LEU 869          HD23      LEU  59  26.644   0.463  -2.585
  405    H    GLU 870           H        GLU  60  23.771   4.688   1.346
  406    HA   GLU 870           HA       GLU  60  25.035   7.357   1.860
  407    HB2  GLU 870           HB2      GLU  60  22.957   7.615   0.862
  408    HB3  GLU 870           HB3      GLU  60  22.173   6.429   1.880
  409    HG2  GLU 870           HG2      GLU  60  21.493   8.702   2.409
  410    HG3  GLU 870           HG3      GLU  60  22.282   7.937   3.772
  411    HA   PRO 871           HA       PRO  61  25.579   5.504   6.026
  412    HB2  PRO 871           HB2      PRO  61  27.556   7.112   6.902
  413    HB3  PRO 871           HB3      PRO  61  27.841   5.829   5.707
  414    HG2  PRO 871           HG2      PRO  61  27.509   8.796   5.235
  415    HG3  PRO 871           HG3      PRO  61  28.693   7.672   4.505
  416    HD2  PRO 871           HD2      PRO  61  26.304   8.456   3.299
  417    HD3  PRO 871           HD3      PRO  61  27.132   6.925   2.943
  418    H    ILE 872           H        ILE  62  23.706   5.970   6.990
  419    HA   ILE 872           HA       ILE  62  22.929   8.696   7.740
  420    HB   ILE 872           HB       ILE  62  21.570   6.034   8.247
  421   HG12  ILE 872          HG12      ILE  62  21.057   8.111   6.070
  422   HG13  ILE 872          HG13      ILE  62  21.830   6.542   5.834
  423   HG21  ILE 872          HG21      ILE  62  19.587   7.418   8.754
  424   HG22  ILE 872          HG22      ILE  62  20.528   8.896   8.455
  425   HG23  ILE 872          HG23      ILE  62  20.911   7.823   9.823
  426   HD11  ILE 872          HD11      ILE  62  19.759   5.392   6.540
  427   HD12  ILE 872          HD12      ILE  62  19.558   6.394   5.090
  428   HD13  ILE 872          HD13      ILE  62  18.934   6.968   6.639
  429    H    TYR 873           H        TYR  63  23.923   9.579   9.418
  430    HA   TYR 873           HA       TYR  63  25.112   7.963  11.565
  431    HB2  TYR 873           HB2      TYR  63  25.209  10.902  10.810
  432    HB3  TYR 873           HB3      TYR  63  25.987  10.226  12.236
  433    HD1  TYR 873           HD1      TYR  63  26.249   7.699   9.807
  434    HD2  TYR 873           HD2      TYR  63  27.845  11.564  10.843
  435    HE1  TYR 873           HE1      TYR  63  28.454   7.024   8.883
  436    HE2  TYR 873           HE2      TYR  63  30.004  10.962   9.739
  437    HH   TYR 873           HH       TYR  63  30.608   7.716   8.343
  438    H    ARG 874           H        ARG  64  22.164   8.905  11.353
  439    HA   ARG 874           HA       ARG  64  21.681   9.385  14.238
  440    HB2  ARG 874           HB2      ARG  64  20.576  11.134  11.993
  441    HB3  ARG 874           HB3      ARG  64  20.064  11.223  13.673
  442    HG2  ARG 874           HG2      ARG  64  22.843  11.882  12.614
  443    HG3  ARG 874           HG3      ARG  64  21.625  13.026  13.174
  444    HD2  ARG 874           HD2      ARG  64  22.888  10.869  14.909
  445    HD3  ARG 874           HD3      ARG  64  23.452  12.539  14.853
  446    HE   ARG 874           HE       ARG  64  21.048  11.482  16.165
  447   HH11  ARG 874          HH11      ARG  64  19.702  12.835  17.316
  448   HH12  ARG 874          HH12      ARG  64  20.004  14.546  17.344
  449   HH21  ARG 874          HH21      ARG  64  22.646  14.449  15.162
  450   HH22  ARG 874          HH22      ARG  64  21.600  15.441  16.135
  451    H1   ALA   1           H1       ALA  65  16.978  -2.415   3.846
  452    H2   ALA   1           H2       ALA  65  17.684  -3.794   3.266
  453    H3   ALA   1           H3       ALA  65  17.470  -3.608   4.877
  454    HA   ALA   1           HA       ALA  65  15.347  -3.838   2.873
  455    HB1  ALA   1           HB1      ALA  65  16.752  -5.887   4.496
  456    HB2  ALA   1           HB2      ALA  65  15.901  -5.985   2.934
  457    HB3  ALA   1           HB3      ALA  65  14.980  -6.022   4.441
  458    H    ARG   2           H        ARG  66  13.660  -2.447   3.517
  459    HA   ARG   2           HA       ARG  66  13.084  -1.808   6.282
  460    HB2  ARG   2           HB2      ARG  66  11.359  -1.886   3.767
  461    HB3  ARG   2           HB3      ARG  66  10.709  -1.428   5.335
  462    HG2  ARG   2           HG2      ARG  66  12.155   0.462   5.531
  463    HG3  ARG   2           HG3      ARG  66  13.070   0.018   4.076
  464    HD2  ARG   2           HD2      ARG  66  11.061   0.338   2.693
  465    HD3  ARG   2           HD3      ARG  66  10.087   0.692   4.110
  466    HE   ARG   2           HE       ARG  66  12.132   2.425   2.824
  467   HH11  ARG   2          HH11      ARG  66   9.864   2.172   5.490
  468   HH12  ARG   2          HH12      ARG  66   9.839   3.894   5.747
  469   HH21  ARG   2          HH21      ARG  66  12.022   4.620   3.193
  470   HH22  ARG   2          HH22      ARG  66  11.050   5.230   4.496
  471    H    THR   3           H        THR  67  12.086  -2.921   7.860
  472    HA   THR   3           HA       THR  67  10.523  -5.401   7.181
  473    HB   THR   3           HB       THR  67  11.219  -6.337   9.308
  474    HG1  THR   3           HG1      THR  67  11.627  -4.794  10.673
  475   HG21  THR   3          HG21      THR  67  12.727  -6.675   7.307
  476   HG22  THR   3          HG22      THR  67  13.563  -6.753   8.871
  477   HG23  THR   3          HG23      THR  67  13.698  -5.292   7.875
  478    H    LYS   4           H        LYS  68   9.925  -2.311   8.035
  479    HA   LYS   4           HA       LYS  68   8.164  -2.589  10.317
  480    HB2  LYS   4           HB2      LYS  68   8.523  -0.385   8.234
  481    HB3  LYS   4           HB3      LYS  68   7.481  -0.240   9.652
  482    HG2  LYS   4           HG2      LYS  68   9.384  -0.606  11.155
  483    HG3  LYS   4           HG3      LYS  68  10.482  -0.756   9.775
  484    HD2  LYS   4           HD2      LYS  68   9.968   1.533   9.061
  485    HD3  LYS   4           HD3      LYS  68   8.795   1.732  10.367
  486    HE2  LYS   4           HE2      LYS  68  11.767   1.153  10.801
  487    HE3  LYS   4           HE3      LYS  68  11.094   2.783  10.714
  488    HZ1  LYS   4           HZ1      LYS  68  11.280   2.032  13.019
  489    HZ2  LYS   4           HZ2      LYS  68  10.289   0.772  12.764
  490    HZ3  LYS   4           HZ3      LYS  68   9.708   2.300  12.650
  491    H    GLN   5           H        GLN  69   7.568  -3.336   7.018
  492    HA   GLN   5           HA       GLN  69   4.989  -2.419   6.567
  493    HB2  GLN   5           HB2      GLN  69   6.482  -3.369   4.878
  494    HB3  GLN   5           HB3      GLN  69   6.311  -4.982   5.584
  495    HG2  GLN   5           HG2      GLN  69   3.879  -4.968   5.017
  496    HG3  GLN   5           HG3      GLN  69   4.062  -3.367   4.294
  497   HE21  GLN   5          HE21      GLN  69   3.895  -6.622   3.550
  498   HE22  GLN   5          HE22      GLN  69   4.789  -6.585   2.029
  499    H    THR   6           H        THR  70   5.853  -5.446   8.207
  500    HA   THR   6           HA       THR  70   4.772  -6.989   9.424
  501    HB   THR   6           HB       THR  70   2.673  -4.851   9.892
  502    HG1  THR   6           HG1      THR  70   4.722  -4.224  10.566
  503   HG21  THR   6          HG21      THR  70   3.305  -7.402  11.438
  504   HG22  THR   6          HG22      THR  70   1.787  -7.024  10.592
  505   HG23  THR   6          HG23      THR  70   2.258  -6.084  12.009
  506    H    ALA   7           H        ALA  71   2.216  -5.480   7.377
  507    HA   ALA   7           HA       ALA  71   0.659  -7.904   7.194
  508    HB1  ALA   7           HB1      ALA  71  -0.303  -5.637   7.048
  509    HB2  ALA   7           HB2      ALA  71  -0.672  -6.582   5.595
  510    HB3  ALA   7           HB3      ALA  71   0.599  -5.335   5.546
  511    H    ARG   8           H        ARG  72   0.251  -9.200   5.378
  512    HA   ARG   8           HA       ARG  72   2.556  -9.872   3.696
  513    HB2  ARG   8           HB2      ARG  72  -0.303 -10.954   3.777
  514    HB3  ARG   8           HB3      ARG  72   0.996 -11.607   2.772
  515    HG2  ARG   8           HG2      ARG  72   2.330 -12.125   4.793
  516    HG3  ARG   8           HG3      ARG  72   1.030 -11.495   5.824
  517    HD2  ARG   8           HD2      ARG  72  -0.525 -13.182   4.897
  518    HD3  ARG   8           HD3      ARG  72   0.784 -13.828   3.884
  519    HE   ARG   8           HE       ARG  72   1.703 -13.833   6.561
  520   HH11  ARG   8          HH11      ARG  72   1.716 -15.649   7.854
  521   HH12  ARG   8          HH12      ARG  72   0.671 -16.986   7.483
  522   HH21  ARG   8          HH21      ARG  72  -0.751 -15.531   4.718
  523   HH22  ARG   8          HH22      ARG  72  -0.702 -16.922   5.764
  524    H    LYS   9           H        LYS  73   2.564  -9.988   1.410
  525    HA   LYS   9           HA       LYS  73   1.523  -7.711  -0.033
  526    HB2  LYS   9           HB2      LYS  73   3.662  -8.893  -0.575
  527    HB3  LYS   9           HB3      LYS  73   2.750 -10.334  -1.001
  528    HG2  LYS   9           HG2      LYS  73   3.410  -9.262  -3.028
  529    HG3  LYS   9           HG3      LYS  73   1.674  -9.114  -2.881
  530    HD2  LYS   9           HD2      LYS  73   2.486  -7.046  -3.722
  531    HD3  LYS   9           HD3      LYS  73   2.041  -6.718  -2.048
  532    HE2  LYS   9           HE2      LYS  73   4.448  -6.943  -1.380
  533    HE3  LYS   9           HE3      LYS  73   4.868  -7.317  -3.054
  534    HZ1  LYS   9           HZ1      LYS  73   4.014  -5.073  -3.658
  535    HZ2  LYS   9           HZ2      LYS  73   5.283  -4.990  -2.644
  536    HZ3  LYS   9           HZ3      LYS  73   3.765  -4.724  -2.077
  537    H    SER  10           H        SER  74  -0.132  -7.564  -1.526
  538    HA   SER  10           HA       SER  74  -1.819  -9.879  -2.198
  539    HB2  SER  10           HB2      SER  74  -2.783  -9.040  -0.082
  540    HB3  SER  10           HB3      SER  74  -2.968  -7.431  -0.814
  541    HG   SER  10           HG       SER  74  -4.899  -8.718  -0.916
  542    H    THR  11           H        THR  75  -3.218  -9.492  -3.994
  543    HA   THR  11           HA       THR  75  -3.124  -7.008  -5.498
  544    HB   THR  11           HB       THR  75  -0.902  -8.017  -6.040
  545    HG1  THR  11           HG1      THR  75  -1.701  -6.691  -7.567
  546   HG21  THR  11          HG21      THR  75  -1.526 -10.428  -6.017
  547   HG22  THR  11          HG22      THR  75  -0.741  -9.932  -7.526
  548   HG23  THR  11          HG23      THR  75  -2.498 -10.178  -7.489
  549    H    GLY  12           H        GLY  76  -4.422  -7.113  -7.488
  550    HA2  GLY  12           HA2      GLY  76  -6.149  -9.305  -8.169
  551    HA3  GLY  12           HA3      GLY  76  -6.998  -8.191  -7.094
  Start of MODEL   12
    1    H1   GLY 811           H1       GLY   1  21.068  10.464  20.718
    2    H2   GLY 811           H2       GLY   1  19.819   9.424  20.853
    3    H3   GLY 811           H3       GLY   1  20.015  10.282  19.474
    4    HA2  GLY 811           HA2      GLY   1  21.840   8.156  20.459
    5    HA3  GLY 811           HA3      GLY   1  20.694   7.985  19.134
    6    HA   PRO 812           HA       PRO   2  24.454  10.397  17.452
    7    HB2  PRO 812           HB2      PRO   2  26.720   9.498  19.145
    8    HB3  PRO 812           HB3      PRO   2  26.216  11.165  18.754
    9    HG2  PRO 812           HG2      PRO   2  25.938  10.147  21.246
   10    HG3  PRO 812           HG3      PRO   2  24.690  11.234  20.543
   11    HD2  PRO 812           HD2      PRO   2  24.708   8.192  20.542
   12    HD3  PRO 812           HD3      PRO   2  23.440   9.297  21.151
   13    H    LEU 813           H        LEU   3  26.532   9.893  16.398
   14    HA   LEU 813           HA       LEU   3  26.628   7.657  14.801
   15    HB2  LEU 813           HB2      LEU   3  27.796   9.720  14.428
   16    HB3  LEU 813           HB3      LEU   3  28.774   9.531  15.871
   17    HG   LEU 813           HG       LEU   3  29.893   9.244  13.676
   18   HD11  LEU 813          HD11      LEU   3  31.410   7.531  14.327
   19   HD12  LEU 813          HD12      LEU   3  30.230   6.769  15.398
   20   HD13  LEU 813          HD13      LEU   3  30.894   8.375  15.791
   21   HD21  LEU 813          HD21      LEU   3  28.633   6.510  13.541
   22   HD22  LEU 813          HD22      LEU   3  29.773   7.260  12.408
   23   HD23  LEU 813          HD23      LEU   3  28.141   7.923  12.566
   24    H    GLY 814           H        GLY   4  27.168   5.486  15.090
   25    HA2  GLY 814           HA2      GLY   4  28.163   3.590  15.998
   26    HA3  GLY 814           HA3      GLY   4  29.091   4.603  17.114
   27    H    SER 815           H        SER   5  25.920   5.524  17.637
   28    HA   SER 815           HA       SER   5  25.178   3.172  19.334
   29    HB2  SER 815           HB2      SER   5  24.281   5.985  19.905
   30    HB3  SER 815           HB3      SER   5  24.244   4.599  20.991
   31    HG   SER 815           HG       SER   5  26.496   4.717  21.234
   32    H    VAL 816           H        VAL   6  24.454   5.027  16.669
   33    HA   VAL 816           HA       VAL   6  21.632   5.302  16.820
   34    HB   VAL 816           HB       VAL   6  23.855   5.774  15.021
   35   HG11  VAL 816          HG11      VAL   6  21.207   5.305  13.654
   36   HG12  VAL 816          HG12      VAL   6  22.692   4.326  13.419
   37   HG13  VAL 816          HG13      VAL   6  22.678   6.057  12.973
   38   HG21  VAL 816          HG21      VAL   6  22.617   7.344  16.367
   39   HG22  VAL 816          HG22      VAL   6  21.184   7.091  15.308
   40   HG23  VAL 816          HG23      VAL   6  22.731   7.714  14.660
   41    H    GLN 817           H        GLN   7  20.018   4.083  15.789
   42    HA   GLN 817           HA       GLN   7  20.631   1.291  15.046
   43    HB2  GLN 817           HB2      GLN   7  19.213   0.458  16.987
   44    HB3  GLN 817           HB3      GLN   7  20.873   0.957  17.305
   45    HG2  GLN 817           HG2      GLN   7  20.192   3.102  18.215
   46    HG3  GLN 817           HG3      GLN   7  18.520   2.796  17.860
   47   HE21  GLN 817          HE21      GLN   7  19.055   3.547  20.347
   48   HE22  GLN 817          HE22      GLN   7  19.226   2.224  21.485
   49    H    HIS 818           H        HIS   8  19.588   1.260  13.260
   50    HA   HIS 818           HA       HIS   8  16.947   2.502  12.953
   51    HB2  HIS 818           HB2      HIS   8  18.878   1.084  11.109
   52    HB3  HIS 818           HB3      HIS   8  17.242   1.553  10.630
   53    HD2  HIS 818           HD2      HIS   8  20.309   3.459  12.159
   54    HE1  HIS 818           HE1      HIS   8  17.806   6.269  10.159
   55    HE2  HIS 818           HE2      HIS   8  19.891   6.017  11.543
   56    H    VAL 819           H        VAL   9  16.311   1.036  14.789
   57    HA   VAL 819           HA       VAL   9  15.502  -1.631  14.621
   58    HB   VAL 819           HB       VAL   9  14.183   0.681  15.997
   59   HG11  VAL 819          HG11      VAL   9  12.666  -1.305  15.881
   60   HG12  VAL 819          HG12      VAL   9  13.299  -1.053  17.518
   61   HG13  VAL 819          HG13      VAL   9  13.996  -2.327  16.492
   62   HG21  VAL 819          HG21      VAL   9  16.514   0.390  16.715
   63   HG22  VAL 819          HG22      VAL   9  16.250  -1.356  16.931
   64   HG23  VAL 819          HG23      VAL   9  15.423  -0.178  17.968
   65    H    GLY 820           H        GLY  10  14.567  -2.616  12.984
   66    HA2  GLY 820           HA2      GLY  10  12.799  -3.174  11.558
   67    HA3  GLY 820           HA3      GLY  10  12.173  -1.556  11.562
   68    H    PHE 821           H        PHE  11  15.637  -1.832  10.963
   69    HA   PHE 821           HA       PHE  11  15.206  -2.084   8.015
   70    HB2  PHE 821           HB2      PHE  11  17.012  -0.023   9.270
   71    HB3  PHE 821           HB3      PHE  11  16.897  -0.389   7.568
   72    HD1  PHE 821           HD1      PHE  11  14.954   1.025  10.445
   73    HD2  PHE 821           HD2      PHE  11  15.292   0.647   6.163
   74    HE1  PHE 821           HE1      PHE  11  13.251   2.803  10.156
   75    HE2  PHE 821           HE2      PHE  11  13.579   2.426   5.874
   76    HZ   PHE 821           HZ       PHE  11  12.564   3.514   7.871
   77    H    LYS 822           H        LYS  12  16.007  -4.019   7.800
   78    HA   LYS 822           HA       LYS  12  18.218  -5.086   9.321
   79    HB2  LYS 822           HB2      LYS  12  16.197  -6.310   8.785
   80    HB3  LYS 822           HB3      LYS  12  16.467  -6.138   7.054
   81    HG2  LYS 822           HG2      LYS  12  18.286  -7.727   7.105
   82    HG3  LYS 822           HG3      LYS  12  18.377  -7.732   8.826
   83    HD2  LYS 822           HD2      LYS  12  16.351  -8.876   9.119
   84    HD3  LYS 822           HD3      LYS  12  15.726  -8.423   7.520
   85    HE2  LYS 822           HE2      LYS  12  17.161  -9.859   6.404
   86    HE3  LYS 822           HE3      LYS  12  18.052 -10.332   7.884
   87    HZ1  LYS 822           HZ1      LYS  12  16.392 -12.025   7.266
   88    HZ2  LYS 822           HZ2      LYS  12  15.175 -10.951   7.319
   89    HZ3  LYS 822           HZ3      LYS  12  15.967 -11.363   8.693
   90    H    CYS 823           H        CYS  13  20.211  -5.756   8.481
   91    HA   CYS 823           HA       CYS  13  21.325  -4.534   6.053
   92    HB2  CYS 823           HB2      CYS  13  22.791  -4.730   7.978
   93    HB3  CYS 823           HB3      CYS  13  22.438  -6.445   8.134
   94    H    ASP 824           H        ASP  14  20.820  -5.429   4.051
   95    HA   ASP 824           HA       ASP  14  19.766  -8.092   3.760
   96    HB2  ASP 824           HB2      ASP  14  21.001  -6.202   1.734
   97    HB3  ASP 824           HB3      ASP  14  20.162  -7.690   1.317
   98    H    ASN 825           H        ASN  15  23.039  -7.122   4.158
   99    HA   ASN 825           HA       ASN  15  24.166  -9.304   2.508
  100    HB2  ASN 825           HB2      ASN  15  25.200  -7.039   2.460
  101    HB3  ASN 825           HB3      ASN  15  25.515  -7.186   4.185
  102   HD21  ASN 825          HD21      ASN  15  27.621  -7.471   4.463
  103   HD22  ASN 825          HD22      ASN  15  28.594  -8.650   3.578
  104    H    CYS 826           H        CYS  16  24.352  -8.339   6.018
  105    HA   CYS 826           HA       CYS  16  25.039 -11.168   6.644
  106    HB2  CYS 826           HB2      CYS  16  26.140 -10.416   8.580
  107    HB3  CYS 826           HB3      CYS  16  26.721  -9.466   7.226
  108    H    GLY 827           H        GLY  17  22.347  -9.110   6.778
  109    HA2  GLY 827           HA2      GLY  17  20.236  -9.680   7.391
  110    HA3  GLY 827           HA3      GLY  17  20.813 -11.165   8.067
  111    H    ILE 828           H        ILE  18  22.410  -8.442   9.547
  112    HA   ILE 828           HA       ILE  18  20.922  -8.685  12.021
  113    HB   ILE 828           HB       ILE  18  23.138  -7.892  12.225
  114   HG12  ILE 828          HG12      ILE  18  21.601  -5.325  12.733
  115   HG13  ILE 828          HG13      ILE  18  21.094  -6.789  13.546
  116   HG21  ILE 828          HG21      ILE  18  23.472  -6.770  10.018
  117   HG22  ILE 828          HG22      ILE  18  24.052  -5.809  11.360
  118   HG23  ILE 828          HG23      ILE  18  22.509  -5.399  10.576
  119   HD11  ILE 828          HD11      ILE  18  23.874  -5.591  13.736
  120   HD12  ILE 828          HD12      ILE  18  23.319  -7.088  14.530
  121   HD13  ILE 828          HD13      ILE  18  22.591  -5.528  14.963
  122    H    GLU 829           H        GLU  19  18.951  -8.441  12.069
  123    HA   GLU 829           HA       GLU  19  17.441  -6.911  10.462
  124    HB2  GLU 829           HB2      GLU  19  15.535  -7.676  11.551
  125    HB3  GLU 829           HB3      GLU  19  16.763  -8.899  11.436
  126    HG2  GLU 829           HG2      GLU  19  17.360  -8.357  13.889
  127    HG3  GLU 829           HG3      GLU  19  15.895  -7.370  13.920
  128    HA   PRO 830           HA       PRO  20  17.629  -3.037  11.669
  129    HB2  PRO 830           HB2      PRO  20  17.530  -2.017  13.999
  130    HB3  PRO 830           HB3      PRO  20  16.271  -3.236  13.523
  131    HG2  PRO 830           HG2      PRO  20  18.676  -3.570  15.243
  132    HG3  PRO 830           HG3      PRO  20  17.037  -4.230  15.485
  133    HD2  PRO 830           HD2      PRO  20  19.305  -5.491  14.216
  134    HD3  PRO 830           HD3      PRO  20  17.639  -6.086  14.204
  135    H    ILE 831           H        ILE  21  19.238  -1.866  10.852
  136    HA   ILE 831           HA       ILE  21  21.925  -2.523  11.546
  137    HB   ILE 831           HB       ILE  21  20.768  -0.342   9.812
  138   HG12  ILE 831          HG12      ILE  21  22.392  -2.670   8.798
  139   HG13  ILE 831          HG13      ILE  21  20.780  -3.085   9.387
  140   HG21  ILE 831          HG21      ILE  21  23.654  -1.174  10.363
  141   HG22  ILE 831          HG22      ILE  21  22.925   0.433  10.519
  142   HG23  ILE 831          HG23      ILE  21  23.158  -0.276   8.919
  143   HD11  ILE 831          HD11      ILE  21  20.907  -2.521   6.927
  144   HD12  ILE 831          HD12      ILE  21  21.327  -0.858   7.373
  145   HD13  ILE 831          HD13      ILE  21  19.754  -1.512   7.824
  146    H    GLN 832           H        GLN  22  22.737  -2.108  13.465
  147    HA   GLN 832           HA       GLN  22  22.473   0.506  14.677
  148    HB2  GLN 832           HB2      GLN  22  24.027  -1.873  15.706
  149    HB3  GLN 832           HB3      GLN  22  23.585  -0.397  16.579
  150    HG2  GLN 832           HG2      GLN  22  21.081  -1.224  15.720
  151    HG3  GLN 832           HG3      GLN  22  21.888  -2.778  15.771
  152   HE21  GLN 832          HE21      GLN  22  19.600  -1.901  17.411
  153   HE22  GLN 832          HE22      GLN  22  20.178  -1.883  19.066
  154    H    GLY 833           H        GLY  23  24.218   1.616  15.599
  155    HA2  GLY 833           HA2      GLY  23  26.116   2.864  15.567
  156    HA3  GLY 833           HA3      GLY  23  26.828   1.940  14.297
  157    H    VAL 834           H        VAL  24  25.723   2.131  12.144
  158    HA   VAL 834           HA       VAL  24  24.306   4.638  11.558
  159    HB   VAL 834           HB       VAL  24  25.733   5.236   9.724
  160   HG11  VAL 834          HG11      VAL  24  27.426   4.947  12.220
  161   HG12  VAL 834          HG12      VAL  24  26.187   6.201  11.952
  162   HG13  VAL 834          HG13      VAL  24  27.639   6.111  10.929
  163   HG21  VAL 834          HG21      VAL  24  26.768   3.198   8.979
  164   HG22  VAL 834          HG22      VAL  24  27.655   3.080  10.538
  165   HG23  VAL 834          HG23      VAL  24  28.004   4.384   9.387
  166    H    ARG 835           H        ARG  25  22.860   4.390   9.868
  167    HA   ARG 835           HA       ARG  25  22.656   1.701   8.589
  168    HB2  ARG 835           HB2      ARG  25  20.624   2.473   9.475
  169    HB3  ARG 835           HB3      ARG  25  20.793   4.073   8.738
  170    HG2  ARG 835           HG2      ARG  25  20.511   3.041   6.482
  171    HG3  ARG 835           HG3      ARG  25  20.286   1.456   7.247
  172    HD2  ARG 835           HD2      ARG  25  18.258   2.198   8.340
  173    HD3  ARG 835           HD3      ARG  25  18.595   3.890   7.913
  174    HE   ARG 835           HE       ARG  25  18.241   1.934   5.687
  175   HH11  ARG 835          HH11      ARG  25  17.069   2.366   4.135
  176   HH12  ARG 835          HH12      ARG  25  15.866   3.658   4.143
  177   HH21  ARG 835          HH21      ARG  25  16.625   4.490   7.457
  178   HH22  ARG 835          HH22      ARG  25  15.623   4.877   6.083
  179    H    TRP 836           H        TRP  26  23.511   1.213   6.672
  180    HA   TRP 836           HA       TRP  26  24.276   3.396   4.795
  181    HB2  TRP 836           HB2      TRP  26  25.083   0.559   5.300
  182    HB3  TRP 836           HB3      TRP  26  25.279   1.128   3.734
  183    HD1  TRP 836           HD1      TRP  26  26.845   0.946   7.000
  184    HE1  TRP 836           HE1      TRP  26  29.196   2.013   6.937
  185    HE3  TRP 836           HE3      TRP  26  26.286   3.853   2.843
  186    HZ2  TRP 836           HZ2      TRP  26  30.613   3.909   5.315
  187    HZ3  TRP 836           HZ3      TRP  26  28.197   5.217   1.995
  188    HH2  TRP 836           HH2      TRP  26  30.353   5.248   3.215
  189    H    HIS 837           H        HIS  27  22.246   3.992   3.897
  190    HA   HIS 837           HA       HIS  27  20.317   1.972   2.951
  191    HB2  HIS 837           HB2      HIS  27  19.483   4.018   3.856
  192    HB3  HIS 837           HB3      HIS  27  20.486   4.988   2.777
  193    HD2  HIS 837           HD2      HIS  27  19.069   6.115   0.995
  194    HE1  HIS 837           HE1      HIS  27  16.122   3.108   0.311
  195    HE2  HIS 837           HE2      HIS  27  16.898   5.450  -0.343
  196    H    CYS 838           H        CYS  28  19.859   1.287   0.840
  197    HA   CYS 838           HA       CYS  28  21.824   1.818  -1.271
  198    HB2  CYS 838           HB2      CYS  28  19.762  -0.180  -0.636
  199    HB3  CYS 838           HB3      CYS  28  19.612   0.366  -2.266
  200    H    GLN 839           H        GLN  29  21.685   3.865  -1.928
  201    HA   GLN 839           HA       GLN  29  19.424   5.565  -1.947
  202    HB2  GLN 839           HB2      GLN  29  22.104   5.639  -3.352
  203    HB3  GLN 839           HB3      GLN  29  21.075   6.960  -3.493
  204    HG2  GLN 839           HG2      GLN  29  21.761   5.970  -0.696
  205    HG3  GLN 839           HG3      GLN  29  22.902   6.928  -1.634
  206   HE21  GLN 839          HE21      GLN  29  22.279   9.152  -2.294
  207   HE22  GLN 839          HE22      GLN  29  20.978   9.945  -1.428
  208    H    ASP 840           H        ASP  30  19.648   3.007  -3.993
  209    HA   ASP 840           HA       ASP  30  18.477   4.439  -6.309
  210    HB2  ASP 840           HB2      ASP  30  21.021   3.522  -6.285
  211    HB3  ASP 840           HB3      ASP  30  20.248   2.097  -6.865
  212    H    CYS 841           H        CYS  31  18.459   1.437  -4.339
  213    HA   CYS 841           HA       CYS  31  16.544   0.083  -5.946
  214    HB2  CYS 841           HB2      CYS  31  16.620  -0.182  -2.989
  215    HB3  CYS 841           HB3      CYS  31  16.250  -1.375  -4.133
  216    HA   PRO 842           HA       PRO  32  12.811   2.376  -4.790
  217    HB2  PRO 842           HB2      PRO  32  10.897   0.659  -5.666
  218    HB3  PRO 842           HB3      PRO  32  12.159   1.232  -6.787
  219    HG2  PRO 842           HG2      PRO  32  12.140  -1.307  -5.140
  220    HG3  PRO 842           HG3      PRO  32  12.350  -1.212  -6.899
  221    HD2  PRO 842           HD2      PRO  32  14.518  -1.304  -5.290
  222    HD3  PRO 842           HD3      PRO  32  14.501  -0.270  -6.734
  223    HA   PRO 843           HA       PRO  33  11.330   1.276  -0.747
  224    HB2  PRO 843           HB2      PRO  33   8.455   0.929  -1.453
  225    HB3  PRO 843           HB3      PRO  33   9.218   2.116  -0.359
  226    HG2  PRO 843           HG2      PRO  33   8.211   2.752  -2.828
  227    HG3  PRO 843           HG3      PRO  33   9.651   3.592  -2.144
  228    HD2  PRO 843           HD2      PRO  33   9.515   1.334  -4.152
  229    HD3  PRO 843           HD3      PRO  33  10.558   2.801  -4.167
  230    H    GLU 844           H        GLU  34  10.166  -0.911  -3.282
  231    HA   GLU 844           HA       GLU  34   8.906  -2.836  -1.573
  232    HB2  GLU 844           HB2      GLU  34   8.456  -2.303  -4.023
  233    HB3  GLU 844           HB3      GLU  34   9.989  -2.994  -4.432
  234    HG2  GLU 844           HG2      GLU  34   8.157  -4.514  -4.935
  235    HG3  GLU 844           HG3      GLU  34   9.321  -5.176  -3.801
  236    H    MET 845           H        MET  35  11.997  -2.309  -2.863
  237    HA   MET 845           HA       MET  35  13.297  -4.870  -2.174
  238    HB2  MET 845           HB2      MET  35  12.641  -4.495  -4.509
  239    HB3  MET 845           HB3      MET  35  13.331  -2.912  -4.514
  240    HG2  MET 845           HG2      MET  35  15.407  -3.692  -4.980
  241    HG3  MET 845           HG3      MET  35  15.198  -4.907  -3.730
  242    HE1  MET 845           HE1      MET  35  14.653  -7.379  -4.079
  243    HE2  MET 845           HE2      MET  35  13.887  -8.030  -5.551
  244    HE3  MET 845           HE3      MET  35  12.997  -6.876  -4.535
  245    H    SER 846           H        SER  36  13.042  -2.563  -0.461
  246    HA   SER 846           HA       SER  36  15.113  -0.612  -0.888
  247    HB2  SER 846           HB2      SER  36  14.316   0.199   1.377
  248    HB3  SER 846           HB3      SER  36  13.086   0.060   0.102
  249    HG   SER 846           HG       SER  36  12.045  -1.306   1.318
  250    H    LEU 847           H        LEU  37  16.935  -2.114  -1.077
  251    HA   LEU 847           HA       LEU  37  17.969  -3.504   1.122
  252    HB2  LEU 847           HB2      LEU  37  19.298  -2.256  -1.261
  253    HB3  LEU 847           HB3      LEU  37  20.275  -2.776   0.078
  254    HG   LEU 847           HG       LEU  37  18.741  -5.009  -0.255
  255   HD11  LEU 847          HD11      LEU  37  19.303  -3.886  -2.962
  256   HD12  LEU 847          HD12      LEU  37  17.678  -4.153  -2.261
  257   HD13  LEU 847          HD13      LEU  37  18.719  -5.541  -2.623
  258   HD21  LEU 847          HD21      LEU  37  20.738  -5.928  -1.423
  259   HD22  LEU 847          HD22      LEU  37  21.202  -4.899  -0.052
  260   HD23  LEU 847          HD23      LEU  37  21.297  -4.254  -1.690
  261    H    ASP 848           H        ASP  38  19.425  -3.162   2.583
  262    HA   ASP 848           HA       ASP  38  20.610  -0.547   3.081
  263    HB2  ASP 848           HB2      ASP  38  19.208  -1.989   5.344
  264    HB3  ASP 848           HB3      ASP  38  20.099  -0.459   5.413
  265    H    PHE 849           H        PHE  39  22.545  -0.761   4.247
  266    HA   PHE 849           HA       PHE  39  23.460  -3.488   4.947
  267    HB2  PHE 849           HB2      PHE  39  25.101  -1.324   3.637
  268    HB3  PHE 849           HB3      PHE  39  25.720  -2.843   4.255
  269    HD1  PHE 849           HD1      PHE  39  25.473  -1.396   1.303
  270    HD2  PHE 849           HD2      PHE  39  23.729  -4.841   3.237
  271    HE1  PHE 849           HE1      PHE  39  25.096  -2.467  -0.905
  272    HE2  PHE 849           HE2      PHE  39  23.343  -5.885   1.018
  273    HZ   PHE 849           HZ       PHE  39  24.033  -4.706  -1.048
  274    H    CYS 850           H        CYS  40  25.090  -3.561   6.580
  275    HA   CYS 850           HA       CYS  40  24.946  -1.279   8.453
  276    HB2  CYS 850           HB2      CYS  40  25.755  -2.854  10.160
  277    HB3  CYS 850           HB3      CYS  40  24.290  -3.457   9.398
  278    H    ASP 851           H        ASP  41  27.044  -0.736   9.619
  279    HA   ASP 851           HA       ASP  41  28.871   0.019   7.545
  280    HB2  ASP 851           HB2      ASP  41  28.363   1.406   9.382
  281    HB3  ASP 851           HB3      ASP  41  29.093   0.365  10.568
  282    H    SER 852           H        SER  42  28.720  -2.887   9.227
  283    HA   SER 852           HA       SER  42  31.492  -3.781   8.775
  284    HB2  SER 852           HB2      SER  42  28.863  -5.263   9.177
  285    HB3  SER 852           HB3      SER  42  30.412  -6.043   9.157
  286    HG   SER 852           HG       SER  42  30.979  -4.889  11.084
  287    H    CYS 853           H        CYS  43  28.517  -3.525   6.954
  288    HA   CYS 853           HA       CYS  43  29.374  -5.522   4.969
  289    HB2  CYS 853           HB2      CYS  43  26.682  -4.661   6.035
  290    HB3  CYS 853           HB3      CYS  43  26.849  -5.553   4.516
  291    H    SER 854           H        SER  44  28.907  -2.029   5.015
  292    HA   SER 854           HA       SER  44  27.430  -1.712   2.666
  293    HB2  SER 854           HB2      SER  44  28.287   0.600   2.681
  294    HB3  SER 854           HB3      SER  44  27.747  -0.037   4.238
  295    HG   SER 854           HG       SER  44  29.872   1.127   4.234
  296    H    ASP 855           H        ASP  45  30.796  -2.587   2.750
  297    HA   ASP 855           HA       ASP  45  31.492  -1.831   0.050
  298    HB2  ASP 855           HB2      ASP  45  32.473  -4.080   1.854
  299    HB3  ASP 855           HB3      ASP  45  33.227  -3.623   0.335
  300    H    CYS 856           H        CYS  46  29.077  -3.922   1.024
  301    HA   CYS 856           HA       CYS  46  29.527  -6.277  -0.411
  302    HB2  CYS 856           HB2      CYS  46  27.821  -6.088   1.322
  303    HB3  CYS 856           HB3      CYS  46  26.909  -4.914   0.370
  304    HG   CYS 856           HG       CYS  46  27.467  -8.150  -0.169
  305    H    LEU 857           H        LEU  47  27.502  -3.624  -1.669
  306    HA   LEU 857           HA       LEU  47  26.837  -3.130  -3.823
  307    HB2  LEU 857           HB2      LEU  47  29.373  -2.641  -3.429
  308    HB3  LEU 857           HB3      LEU  47  29.637  -3.956  -4.563
  309    HG   LEU 857           HG       LEU  47  28.038  -2.758  -6.169
  310   HD11  LEU 857          HD11      LEU  47  27.856  -0.300  -5.937
  311   HD12  LEU 857          HD12      LEU  47  28.550  -0.416  -4.305
  312   HD13  LEU 857          HD13      LEU  47  26.967  -1.149  -4.673
  313   HD21  LEU 857          HD21      LEU  47  30.492  -2.771  -6.488
  314   HD22  LEU 857          HD22      LEU  47  30.642  -1.350  -5.436
  315   HD23  LEU 857          HD23      LEU  47  29.791  -1.226  -6.998
  316    H    HIS 858           H        HIS  48  25.683  -5.383  -3.405
  317    HA   HIS 858           HA       HIS  48  26.201  -7.505  -5.374
  318    HB2  HIS 858           HB2      HIS  48  25.309  -7.883  -3.040
  319    HB3  HIS 858           HB3      HIS  48  23.869  -6.999  -3.470
  320    HD2  HIS 858           HD2      HIS  48  22.043  -8.822  -3.412
  321    HE1  HIS 858           HE1      HIS  48  23.940 -11.815  -5.793
  322    HE2  HIS 858           HE2      HIS  48  21.807 -11.194  -4.554
  323    H    GLU 859           H        GLU  49  24.327  -8.342  -6.634
  324    HA   GLU 859           HA       GLU  49  22.806  -6.207  -7.918
  325    HB2  GLU 859           HB2      GLU  49  24.290  -8.264  -9.562
  326    HB3  GLU 859           HB3      GLU  49  23.374  -6.861 -10.022
  327    HG2  GLU 859           HG2      GLU  49  25.196  -5.433  -8.826
  328    HG3  GLU 859           HG3      GLU  49  26.154  -6.904  -8.867
  329    H    THR 860           H        THR  50  20.803  -6.745  -8.404
  330    HA   THR 860           HA       THR  50  19.815  -9.563  -8.372
  331    HB   THR 860           HB       THR  50  17.950  -8.995  -7.030
  332    HG1  THR 860           HG1      THR  50  17.522  -6.945  -6.310
  333   HG21  THR 860          HG21      THR  50  19.974  -9.436  -5.679
  334   HG22  THR 860          HG22      THR  50  18.845  -8.332  -4.871
  335   HG23  THR 860          HG23      THR  50  20.316  -7.692  -5.629
  336    H    ASP 861           H        ASP  51  17.056  -8.717  -8.850
  337    HA   ASP 861           HA       ASP  51  17.089  -8.050 -11.660
  338    HB2  ASP 861           HB2      ASP  51  14.865  -7.905  -9.592
  339    HB3  ASP 861           HB3      ASP  51  14.637  -7.723 -11.330
  340    H    ILE 862           H        ILE  52  17.290  -6.054  -8.799
  341    HA   ILE 862           HA       ILE  52  16.824  -3.558 -10.405
  342    HB   ILE 862           HB       ILE  52  15.912  -4.049  -7.562
  343   HG12  ILE 862          HG12      ILE  52  14.451  -5.329  -9.078
  344   HG13  ILE 862          HG13      ILE  52  13.640  -4.047  -8.214
  345   HG21  ILE 862          HG21      ILE  52  15.968  -1.640  -9.338
  346   HG22  ILE 862          HG22      ILE  52  16.349  -1.800  -7.610
  347   HG23  ILE 862          HG23      ILE  52  14.656  -1.816  -8.146
  348   HD11  ILE 862          HD11      ILE  52  12.877  -4.240 -10.534
  349   HD12  ILE 862          HD12      ILE  52  14.506  -3.854 -11.125
  350   HD13  ILE 862          HD13      ILE  52  13.573  -2.641 -10.214
  351    H    HIS 863           H        HIS  53  18.287  -4.965  -7.439
  352    HA   HIS 863           HA       HIS  53  19.932  -2.618  -6.942
  353    HB2  HIS 863           HB2      HIS  53  19.109  -4.021  -5.152
  354    HB3  HIS 863           HB3      HIS  53  19.875  -5.433  -5.810
  355    HD2  HIS 863           HD2      HIS  53  21.930  -6.116  -4.512
  356    HE1  HIS 863           HE1      HIS  53  23.461  -2.304  -3.441
  357    H    LYS 864           H        LYS  54  22.185  -2.470  -7.482
  358    HA   LYS 864           HA       LYS  54  23.408  -4.308  -9.422
  359    HB2  LYS 864           HB2      LYS  54  22.742  -1.427 -10.149
  360    HB3  LYS 864           HB3      LYS  54  23.642  -2.554 -11.156
  361    HG2  LYS 864           HG2      LYS  54  20.735  -2.730 -10.417
  362    HG3  LYS 864           HG3      LYS  54  21.345  -2.117 -11.936
  363    HD2  LYS 864           HD2      LYS  54  22.065  -4.207 -12.725
  364    HD3  LYS 864           HD3      LYS  54  22.026  -4.970 -11.126
  365    HE2  LYS 864           HE2      LYS  54  19.590  -4.781 -11.026
  366    HE3  LYS 864           HE3      LYS  54  19.558  -3.912 -12.553
  367    HZ1  LYS 864           HZ1      LYS  54  20.604  -6.001 -13.555
  368    HZ2  LYS 864           HZ2      LYS  54  19.050  -6.146 -13.080
  369    HZ3  LYS 864           HZ3      LYS  54  20.222  -6.769 -12.134
  370    H    GLU 865           H        GLU  55  25.611  -3.478 -10.060
  371    HA   GLU 865           HA       GLU  55  26.894  -2.070  -7.875
  372    HB2  GLU 865           HB2      GLU  55  27.953  -2.579 -10.664
  373    HB3  GLU 865           HB3      GLU  55  28.854  -1.812  -9.329
  374    HG2  GLU 865           HG2      GLU  55  28.700  -3.877  -8.009
  375    HG3  GLU 865           HG3      GLU  55  27.689  -4.638  -9.235
  376    H    ASP 866           H        ASP  56  24.842  -0.888 -10.289
  377    HA   ASP 866           HA       ASP  56  26.073   1.699 -10.832
  378    HB2  ASP 866           HB2      ASP  56  23.160   0.837 -10.930
  379    HB3  ASP 866           HB3      ASP  56  23.823   2.321 -11.609
  380    H    HIS 867           H        HIS  57  24.908   0.356  -7.985
  381    HA   HIS 867           HA       HIS  57  23.339   2.318  -6.839
  382    HB2  HIS 867           HB2      HIS  57  24.710  -0.133  -5.998
  383    HB3  HIS 867           HB3      HIS  57  24.860   1.082  -4.765
  384    HD2  HIS 867           HD2      HIS  57  22.252  -0.893  -6.639
  385    HE1  HIS 867           HE1      HIS  57  20.082   1.505  -3.881
  386    H    GLN 868           H        GLN  58  23.636   3.434  -4.972
  387    HA   GLN 868           HA       GLN  58  26.225   4.668  -4.307
  388    HB2  GLN 868           HB2      GLN  58  23.648   6.154  -4.769
  389    HB3  GLN 868           HB3      GLN  58  25.084   6.851  -4.002
  390    HG2  GLN 868           HG2      GLN  58  24.952   5.756  -6.869
  391    HG3  GLN 868           HG3      GLN  58  24.789   7.432  -6.404
  392   HE21  GLN 868          HE21      GLN  58  27.190   4.753  -6.809
  393   HE22  GLN 868          HE22      GLN  58  28.549   5.851  -6.613
  394    H    LEU 869           H        LEU  59  26.595   4.566  -2.154
  395    HA   LEU 869           HA       LEU  59  24.380   3.587  -0.411
  396    HB2  LEU 869           HB2      LEU  59  27.387   3.276  -0.194
  397    HB3  LEU 869           HB3      LEU  59  26.219   2.724   0.989
  398    HG   LEU 869           HG       LEU  59  27.006   0.922  -0.267
  399   HD11  LEU 869          HD11      LEU  59  24.880  -0.131  -0.956
  400   HD12  LEU 869          HD12      LEU  59  24.109   1.446  -1.050
  401   HD13  LEU 869          HD13      LEU  59  24.655   0.819   0.522
  402   HD21  LEU 869          HD21      LEU  59  26.748   0.437  -2.542
  403   HD22  LEU 869          HD22      LEU  59  27.520   2.028  -2.439
  404   HD23  LEU 869          HD23      LEU  59  25.787   1.886  -2.835
  405    H    GLU 870           H        GLU  60  23.754   4.699   1.340
  406    HA   GLU 870           HA       GLU  60  25.050   7.365   1.807
  407    HB2  GLU 870           HB2      GLU  60  23.018   7.658   0.757
  408    HB3  GLU 870           HB3      GLU  60  22.179   6.476   1.765
  409    HG2  GLU 870           HG2      GLU  60  21.507   8.751   2.302
  410    HG3  GLU 870           HG3      GLU  60  22.264   7.959   3.669
  411    HA   PRO 871           HA       PRO  61  25.557   5.528   5.961
  412    HB2  PRO 871           HB2      PRO  61  27.551   7.111   6.856
  413    HB3  PRO 871           HB3      PRO  61  27.818   5.848   5.636
  414    HG2  PRO 871           HG2      PRO  61  27.509   8.827   5.216
  415    HG3  PRO 871           HG3      PRO  61  28.667   7.701   4.447
  416    HD2  PRO 871           HD2      PRO  61  26.260   8.537   3.307
  417    HD3  PRO 871           HD3      PRO  61  27.090   7.018   2.891
  418    H    ILE 872           H        ILE  62  23.631   6.029   6.893
  419    HA   ILE 872           HA       ILE  62  22.925   8.756   7.691
  420    HB   ILE 872           HB       ILE  62  21.518   6.119   8.212
  421   HG12  ILE 872          HG12      ILE  62  21.018   8.197   6.027
  422   HG13  ILE 872          HG13      ILE  62  21.770   6.623   5.786
  423   HG21  ILE 872          HG21      ILE  62  20.909   7.950   9.777
  424   HG22  ILE 872          HG22      ILE  62  19.563   7.518   8.738
  425   HG23  ILE 872          HG23      ILE  62  20.498   8.991   8.396
  426   HD11  ILE 872          HD11      ILE  62  18.888   7.080   6.614
  427   HD12  ILE 872          HD12      ILE  62  19.694   5.491   6.534
  428   HD13  ILE 872          HD13      ILE  62  19.494   6.469   5.070
  429    H    TYR 873           H        TYR  63  23.962   9.614   9.385
  430    HA   TYR 873           HA       TYR  63  25.108   7.958  11.512
  431    HB2  TYR 873           HB2      TYR  63  25.281  10.893  10.760
  432    HB3  TYR 873           HB3      TYR  63  25.935  10.261  12.260
  433    HD1  TYR 873           HD1      TYR  63  26.241   7.807   9.652
  434    HD2  TYR 873           HD2      TYR  63  28.037  11.348  11.323
  435    HE1  TYR 873           HE1      TYR  63  28.477   7.055   8.846
  436    HE2  TYR 873           HE2      TYR  63  30.254  10.663  10.406
  437    HH   TYR 873           HH       TYR  63  31.431   9.050   9.259
  438    H    ARG 874           H        ARG  64  22.177   8.921  11.289
  439    HA   ARG 874           HA       ARG  64  21.631   9.385  14.179
  440    HB2  ARG 874           HB2      ARG  64  20.562  11.126  11.918
  441    HB3  ARG 874           HB3      ARG  64  20.045  11.224  13.595
  442    HG2  ARG 874           HG2      ARG  64  22.820  11.878  12.534
  443    HG3  ARG 874           HG3      ARG  64  21.609  13.021  13.094
  444    HD2  ARG 874           HD2      ARG  64  22.887  10.873  14.837
  445    HD3  ARG 874           HD3      ARG  64  23.448  12.542  14.764
  446    HE   ARG 874           HE       ARG  64  21.102  11.489  16.147
  447   HH11  ARG 874          HH11      ARG  64  19.726  12.850  17.272
  448   HH12  ARG 874          HH12      ARG  64  19.986  14.568  17.234
  449   HH21  ARG 874          HH21      ARG  64  22.572  14.464  14.994
  450   HH22  ARG 874          HH22      ARG  64  21.517  15.461  15.954
  451    H1   ALA   1           H1       ALA  65  17.580  -3.901   3.289
  452    H2   ALA   1           H2       ALA  65  17.405  -3.740   4.912
  453    H3   ALA   1           H3       ALA  65  16.920  -2.518   3.911
  454    HA   ALA   1           HA       ALA  65  15.185  -3.826   2.986
  455    HB1  ALA   1           HB1      ALA  65  14.767  -6.090   4.118
  456    HB2  ALA   1           HB2      ALA  65  16.452  -5.990   4.704
  457    HB3  ALA   1           HB3      ALA  65  16.078  -5.970   2.946
  458    H    ARG   2           H        ARG  66  13.265  -2.944   3.846
  459    HA   ARG   2           HA       ARG  66  13.178  -2.251   6.687
  460    HB2  ARG   2           HB2      ARG  66  10.914  -2.297   4.651
  461    HB3  ARG   2           HB3      ARG  66  10.842  -1.653   6.297
  462    HG2  ARG   2           HG2      ARG  66  12.921  -0.195   5.528
  463    HG3  ARG   2           HG3      ARG  66  12.365  -0.584   3.907
  464    HD2  ARG   2           HD2      ARG  66  11.360   1.490   4.453
  465    HD3  ARG   2           HD3      ARG  66  10.072   0.277   4.590
  466    HE   ARG   2           HE       ARG  66  11.583   0.892   7.070
  467   HH11  ARG   2          HH11      ARG  66   7.850   2.254   6.747
  468   HH12  ARG   2          HH12      ARG  66   8.664   1.706   5.307
  469   HH21  ARG   2          HH21      ARG  66  10.480   1.546   8.852
  470   HH22  ARG   2          HH22      ARG  66   8.812   2.031   8.726
  471    H    THR   3           H        THR  67  12.115  -3.139   8.346
  472    HA   THR   3           HA       THR  67  10.778  -5.789   8.150
  473    HB   THR   3           HB       THR  67  12.212  -6.679   9.956
  474    HG1  THR   3           HG1      THR  67  14.135  -5.505  10.466
  475   HG21  THR   3          HG21      THR  67  14.156  -7.236   8.709
  476   HG22  THR   3          HG22      THR  67  14.058  -5.725   7.756
  477   HG23  THR   3          HG23      THR  67  12.884  -7.042   7.509
  478    H    LYS   4           H        LYS  68   9.981  -6.446  10.390
  479    HA   LYS   4           HA       LYS  68   8.597  -6.156  12.163
  480    HB2  LYS   4           HB2      LYS  68   9.934  -3.467  12.652
  481    HB3  LYS   4           HB3      LYS  68   9.056  -4.439  13.816
  482    HG2  LYS   4           HG2      LYS  68  11.722  -5.183  12.548
  483    HG3  LYS   4           HG3      LYS  68  11.472  -4.534  14.162
  484    HD2  LYS   4           HD2      LYS  68  10.135  -6.549  14.777
  485    HD3  LYS   4           HD3      LYS  68  10.423  -7.223  13.156
  486    HE2  LYS   4           HE2      LYS  68  12.885  -7.093  13.561
  487    HE3  LYS   4           HE3      LYS  68  12.581  -6.485  15.192
  488    HZ1  LYS   4           HZ1      LYS  68  11.559  -8.581  15.773
  489    HZ2  LYS   4           HZ2      LYS  68  12.998  -8.929  15.049
  490    HZ3  LYS   4           HZ3      LYS  68  11.603  -9.136  14.231
  491    H    GLN   5           H        GLN  69   6.963  -4.649  13.265
  492    HA   GLN   5           HA       GLN  69   5.045  -3.651  11.315
  493    HB2  GLN   5           HB2      GLN  69   5.192  -3.478  14.352
  494    HB3  GLN   5           HB3      GLN  69   3.839  -2.869  13.406
  495    HG2  GLN   5           HG2      GLN  69   4.769  -5.779  13.457
  496    HG3  GLN   5           HG3      GLN  69   3.422  -5.128  14.377
  497   HE21  GLN   5          HE21      GLN  69   3.365  -7.279  12.310
  498   HE22  GLN   5          HE22      GLN  69   2.243  -6.691  11.092
  499    H    THR   6           H        THR  70   4.514  -1.536  10.804
  500    HA   THR   6           HA       THR  70   5.924   0.756  11.952
  501    HB   THR   6           HB       THR  70   7.625  -0.285  10.440
  502    HG1  THR   6           HG1      THR  70   7.723   1.917  10.810
  503   HG21  THR   6          HG21      THR  70   5.821   0.586   8.145
  504   HG22  THR   6          HG22      THR  70   6.048  -1.104   8.653
  505   HG23  THR   6          HG23      THR  70   7.425  -0.178   8.053
  506    H    ALA   7           H        ALA  71   5.364   2.803  10.842
  507    HA   ALA   7           HA       ALA  71   3.806   4.342  10.322
  508    HB1  ALA   7           HB1      ALA  71   4.668   3.534   8.165
  509    HB2  ALA   7           HB2      ALA  71   3.021   4.174   8.030
  510    HB3  ALA   7           HB3      ALA  71   3.293   2.420   8.029
  511    H    ARG   8           H        ARG  72   2.735   2.400  12.234
  512    HA   ARG   8           HA       ARG  72  -0.187   2.892  11.820
  513    HB2  ARG   8           HB2      ARG  72  -0.762   0.663  12.379
  514    HB3  ARG   8           HB3      ARG  72   0.417   0.615  11.077
  515    HG2  ARG   8           HG2      ARG  72   2.218   0.097  12.761
  516    HG3  ARG   8           HG3      ARG  72   0.988   0.043  14.028
  517    HD2  ARG   8           HD2      ARG  72   1.092  -1.746  11.568
  518    HD3  ARG   8           HD3      ARG  72   1.601  -2.197  13.205
  519    HE   ARG   8           HE       ARG  72  -1.036  -1.347  13.496
  520   HH11  ARG   8          HH11      ARG  72   0.569  -3.974  11.811
  521   HH12  ARG   8          HH12      ARG  72  -0.892  -4.935  11.745
  522   HH21  ARG   8          HH21      ARG  72  -2.841  -2.646  13.423
  523   HH22  ARG   8          HH22      ARG  72  -2.763  -4.212  12.673
  524    H    LYS   9           H        LYS  73   2.020   3.976  13.744
  525    HA   LYS   9           HA       LYS  73   0.972   3.313  16.411
  526    HB2  LYS   9           HB2      LYS  73   2.942   5.460  15.501
  527    HB3  LYS   9           HB3      LYS  73   2.529   5.101  17.182
  528    HG2  LYS   9           HG2      LYS  73   3.293   2.716  16.798
  529    HG3  LYS   9           HG3      LYS  73   3.909   3.216  15.220
  530    HD2  LYS   9           HD2      LYS  73   4.781   4.325  17.929
  531    HD3  LYS   9           HD3      LYS  73   5.671   3.148  16.955
  532    HE2  LYS   9           HE2      LYS  73   5.897   4.820  15.124
  533    HE3  LYS   9           HE3      LYS  73   5.036   6.013  16.109
  534    HZ1  LYS   9           HZ1      LYS  73   6.831   5.858  17.758
  535    HZ2  LYS   9           HZ2      LYS  73   7.444   6.282  16.305
  536    HZ3  LYS   9           HZ3      LYS  73   7.633   4.760  16.851
  537    H    SER  10           H        SER  74  -0.052   4.722  17.846
  538    HA   SER  10           HA       SER  74  -2.097   6.460  16.704
  539    HB2  SER  10           HB2      SER  74  -2.470   5.021  18.685
  540    HB3  SER  10           HB3      SER  74  -1.327   6.018  19.609
  541    HG   SER  10           HG       SER  74  -3.536   6.656  19.905
  542    H    THR  11           H        THR  75  -2.412   8.716  17.236
  543    HA   THR  11           HA       THR  75   0.038  10.326  17.031
  544    HB   THR  11           HB       THR  75  -2.891  11.128  17.246
  545    HG1  THR  11           HG1      THR  75  -2.318  10.088  15.302
  546   HG21  THR  11          HG21      THR  75  -1.530  13.018  18.012
  547   HG22  THR  11          HG22      THR  75  -2.116  13.335  16.377
  548   HG23  THR  11          HG23      THR  75  -0.430  12.824  16.623
  549    H    GLY  12           H        GLY  76   1.099  11.368  18.628
  550    HA2  GLY  12           HA2      GLY  76   0.062  12.461  21.019
  551    HA3  GLY  12           HA3      GLY  76   0.641  10.842  21.407
  Start of MODEL   13
    1    H1   GLY 811           H1       GLY   1  19.405   9.667  19.416
    2    H2   GLY 811           H2       GLY   1  19.931  10.084  17.929
    3    H3   GLY 811           H3       GLY   1  20.610  10.765  19.257
    4    HA2  GLY 811           HA2      GLY   1  21.515   8.611  19.959
    5    HA3  GLY 811           HA3      GLY   1  20.764   7.892  18.535
    6    HA   PRO 812           HA       PRO   2  24.671  10.518  17.273
    7    HB2  PRO 812           HB2      PRO   2  26.496   9.409  19.401
    8    HB3  PRO 812           HB3      PRO   2  26.437  11.064  18.723
    9    HG2  PRO 812           HG2      PRO   2  25.455  10.588  21.171
   10    HG3  PRO 812           HG3      PRO   2  24.515  11.617  20.032
   11    HD2  PRO 812           HD2      PRO   2  24.159   8.650  20.593
   12    HD3  PRO 812           HD3      PRO   2  22.933   9.953  20.623
   13    H    LEU 813           H        LEU   3  26.832   9.904  16.438
   14    HA   LEU 813           HA       LEU   3  26.856   7.634  14.848
   15    HB2  LEU 813           HB2      LEU   3  28.227   9.568  14.418
   16    HB3  LEU 813           HB3      LEU   3  29.033   9.422  15.974
   17    HG   LEU 813           HG       LEU   3  30.250   7.460  15.211
   18   HD11  LEU 813          HD11      LEU   3  30.225   6.842  12.790
   19   HD12  LEU 813          HD12      LEU   3  28.833   7.923  12.557
   20   HD13  LEU 813          HD13      LEU   3  28.701   6.489  13.598
   21   HD21  LEU 813          HD21      LEU   3  30.446   9.771  13.265
   22   HD22  LEU 813          HD22      LEU   3  31.707   8.564  13.618
   23   HD23  LEU 813          HD23      LEU   3  31.187   9.688  14.880
   24    H    GLY 814           H        GLY   4  27.234   5.465  15.187
   25    HA2  GLY 814           HA2      GLY   4  28.047   3.514  16.149
   26    HA3  GLY 814           HA3      GLY   4  28.948   4.443  17.348
   27    H    SER 815           H        SER   5  25.769   5.574  17.422
   28    HA   SER 815           HA       SER   5  24.696   3.408  19.169
   29    HB2  SER 815           HB2      SER   5  24.026   6.324  19.525
   30    HB3  SER 815           HB3      SER   5  23.749   5.007  20.663
   31    HG   SER 815           HG       SER   5  26.278   6.180  20.041
   32    H    VAL 816           H        VAL   6  24.358   4.735  16.229
   33    HA   VAL 816           HA       VAL   6  21.491   5.252  16.207
   34    HB   VAL 816           HB       VAL   6  23.702   4.903  14.170
   35   HG11  VAL 816          HG11      VAL   6  20.800   5.281  13.629
   36   HG12  VAL 816          HG12      VAL   6  21.916   3.976  13.056
   37   HG13  VAL 816          HG13      VAL   6  22.115   5.673  12.483
   38   HG21  VAL 816          HG21      VAL   6  23.257   7.181  13.751
   39   HG22  VAL 816          HG22      VAL   6  23.354   7.046  15.506
   40   HG23  VAL 816          HG23      VAL   6  21.746   7.132  14.730
   41    H    GLN 817           H        GLN   7  19.964   3.814  15.619
   42    HA   GLN 817           HA       GLN   7  20.617   0.987  15.048
   43    HB2  GLN 817           HB2      GLN   7  19.221   0.314  17.067
   44    HB3  GLN 817           HB3      GLN   7  20.883   0.832  17.334
   45    HG2  GLN 817           HG2      GLN   7  20.205   3.038  18.078
   46    HG3  GLN 817           HG3      GLN   7  18.531   2.715  17.758
   47   HE21  GLN 817          HE21      GLN   7  19.074   3.639  20.183
   48   HE22  GLN 817          HE22      GLN   7  19.223   2.399  21.415
   49    H    HIS 818           H        HIS   8  19.554   1.016  13.192
   50    HA   HIS 818           HA       HIS   8  16.992   2.354  12.968
   51    HB2  HIS 818           HB2      HIS   8  18.750   0.829  11.050
   52    HB3  HIS 818           HB3      HIS   8  17.079   1.242  10.635
   53    HD2  HIS 818           HD2      HIS   8  20.079   3.264  12.074
   54    HE1  HIS 818           HE1      HIS   8  17.537   5.923   9.921
   55    HE2  HIS 818           HE2      HIS   8  19.586   5.778  11.376
   56    H    VAL 819           H        VAL   9  16.295   0.886  14.850
   57    HA   VAL 819           HA       VAL   9  15.409  -1.771  14.679
   58    HB   VAL 819           HB       VAL   9  14.223   0.557  16.179
   59   HG11  VAL 819          HG11      VAL   9  13.361  -1.185  17.702
   60   HG12  VAL 819          HG12      VAL   9  13.958  -2.453  16.615
   61   HG13  VAL 819          HG13      VAL   9  12.639  -1.368  16.095
   62   HG21  VAL 819          HG21      VAL   9  15.532  -0.390  18.064
   63   HG22  VAL 819          HG22      VAL   9  16.572   0.179  16.769
   64   HG23  VAL 819          HG23      VAL   9  16.269  -1.566  16.955
   65    H    GLY 820           H        GLY  10  14.502  -2.564  12.914
   66    HA2  GLY 820           HA2      GLY  10  12.411  -2.956  11.702
   67    HA3  GLY 820           HA3      GLY  10  12.127  -1.251  11.652
   68    H    PHE 821           H        PHE  11  15.471  -1.900  10.964
   69    HA   PHE 821           HA       PHE  11  14.939  -2.389   8.081
   70    HB2  PHE 821           HB2      PHE  11  16.649  -0.085   9.032
   71    HB3  PHE 821           HB3      PHE  11  16.515  -0.640   7.383
   72    HD1  PHE 821           HD1      PHE  11  14.723   1.105  10.128
   73    HD2  PHE 821           HD2      PHE  11  14.563  -0.173   6.010
   74    HE1  PHE 821           HE1      PHE  11  12.746   2.557   9.753
   75    HE2  PHE 821           HE2      PHE  11  12.563   1.264   5.645
   76    HZ   PHE 821           HZ       PHE  11  11.662   2.635   7.519
   77    H    LYS 822           H        LYS  12  15.923  -4.162   7.707
   78    HA   LYS 822           HA       LYS  12  18.137  -5.205   9.221
   79    HB2  LYS 822           HB2      LYS  12  16.204  -6.563   8.478
   80    HB3  LYS 822           HB3      LYS  12  16.574  -6.187   6.804
   81    HG2  LYS 822           HG2      LYS  12  18.866  -7.378   7.305
   82    HG3  LYS 822           HG3      LYS  12  18.056  -8.080   8.673
   83    HD2  LYS 822           HD2      LYS  12  16.999  -8.200   5.837
   84    HD3  LYS 822           HD3      LYS  12  18.137  -9.388   6.452
   85    HE2  LYS 822           HE2      LYS  12  16.653  -9.990   8.271
   86    HE3  LYS 822           HE3      LYS  12  15.413  -8.842   7.726
   87    HZ1  LYS 822           HZ1      LYS  12  16.367 -11.218   6.167
   88    HZ2  LYS 822           HZ2      LYS  12  15.237 -10.159   5.640
   89    HZ3  LYS 822           HZ3      LYS  12  14.937 -11.105   6.934
   90    H    CYS 823           H        CYS  13  20.277  -5.673   8.468
   91    HA   CYS 823           HA       CYS  13  21.378  -4.379   6.077
   92    HB2  CYS 823           HB2      CYS  13  22.827  -4.683   8.023
   93    HB3  CYS 823           HB3      CYS  13  22.449  -6.400   8.074
   94    H    ASP 824           H        ASP  14  20.849  -5.270   4.020
   95    HA   ASP 824           HA       ASP  14  19.817  -7.934   3.718
   96    HB2  ASP 824           HB2      ASP  14  21.076  -6.064   1.685
   97    HB3  ASP 824           HB3      ASP  14  20.225  -7.542   1.277
   98    H    ASN 825           H        ASN  15  23.106  -6.963   4.093
   99    HA   ASN 825           HA       ASN  15  24.213  -9.131   2.417
  100    HB2  ASN 825           HB2      ASN  15  25.252  -6.869   2.413
  101    HB3  ASN 825           HB3      ASN  15  25.595  -7.053   4.128
  102   HD21  ASN 825          HD21      ASN  15  27.662  -7.581   4.501
  103   HD22  ASN 825          HD22      ASN  15  28.594  -8.717   3.522
  104    H    CYS 826           H        CYS  16  24.357  -8.270   5.955
  105    HA   CYS 826           HA       CYS  16  25.036 -11.111   6.510
  106    HB2  CYS 826           HB2      CYS  16  26.093 -10.421   8.501
  107    HB3  CYS 826           HB3      CYS  16  26.726  -9.458   7.181
  108    H    GLY 827           H        GLY  17  22.340  -9.053   6.665
  109    HA2  GLY 827           HA2      GLY  17  20.239  -9.574   7.238
  110    HA3  GLY 827           HA3      GLY  17  20.730 -11.124   7.809
  111    H    ILE 828           H        ILE  18  22.325  -8.431   9.440
  112    HA   ILE 828           HA       ILE  18  20.832  -8.813  11.913
  113    HB   ILE 828           HB       ILE  18  23.027  -7.974  12.194
  114   HG12  ILE 828          HG12      ILE  18  21.401  -5.437  12.600
  115   HG13  ILE 828          HG13      ILE  18  20.987  -6.890  13.483
  116   HG21  ILE 828          HG21      ILE  18  22.423  -5.508  10.492
  117   HG22  ILE 828          HG22      ILE  18  23.402  -6.885   9.975
  118   HG23  ILE 828          HG23      ILE  18  23.953  -5.902  11.307
  119   HD11  ILE 828          HD11      ILE  18  22.424  -5.472  14.837
  120   HD12  ILE 828          HD12      ILE  18  23.677  -5.474  13.584
  121   HD13  ILE 828          HD13      ILE  18  23.275  -6.982  14.444
  122    H    GLU 829           H        GLU  19  18.860  -8.482  12.123
  123    HA   GLU 829           HA       GLU  19  17.401  -6.997  10.330
  124    HB2  GLU 829           HB2      GLU  19  15.461  -7.741  11.333
  125    HB3  GLU 829           HB3      GLU  19  16.628  -9.008  11.213
  126    HG2  GLU 829           HG2      GLU  19  15.758  -7.526  13.730
  127    HG3  GLU 829           HG3      GLU  19  15.312  -9.154  13.270
  128    HA   PRO 830           HA       PRO  20  17.543  -3.143  11.641
  129    HB2  PRO 830           HB2      PRO  20  17.440  -2.177  13.985
  130    HB3  PRO 830           HB3      PRO  20  16.165  -3.363  13.486
  131    HG2  PRO 830           HG2      PRO  20  18.572  -3.786  15.206
  132    HG3  PRO 830           HG3      PRO  20  16.923  -4.412  15.439
  133    HD2  PRO 830           HD2      PRO  20  19.144  -5.711  14.148
  134    HD3  PRO 830           HD3      PRO  20  17.448  -6.236  14.080
  135    H    ILE 831           H        ILE  21  19.167  -1.974  10.851
  136    HA   ILE 831           HA       ILE  21  21.852  -2.645  11.516
  137    HB   ILE 831           HB       ILE  21  20.664  -0.395   9.890
  138   HG12  ILE 831          HG12      ILE  21  22.336  -2.637   8.779
  139   HG13  ILE 831          HG13      ILE  21  20.739  -3.107   9.369
  140   HG21  ILE 831          HG21      ILE  21  23.042  -0.260   8.954
  141   HG22  ILE 831          HG22      ILE  21  23.581  -1.123  10.403
  142   HG23  ILE 831          HG23      ILE  21  22.796   0.458  10.554
  143   HD11  ILE 831          HD11      ILE  21  20.812  -2.463   6.939
  144   HD12  ILE 831          HD12      ILE  21  21.245  -0.817   7.416
  145   HD13  ILE 831          HD13      ILE  21  19.671  -1.483   7.882
  146    H    GLN 832           H        GLN  22  22.614  -2.337  13.511
  147    HA   GLN 832           HA       GLN  22  22.500   0.298  14.724
  148    HB2  GLN 832           HB2      GLN  22  23.961  -2.115  15.787
  149    HB3  GLN 832           HB3      GLN  22  23.560  -0.610  16.623
  150    HG2  GLN 832           HG2      GLN  22  21.017  -1.416  15.841
  151    HG3  GLN 832           HG3      GLN  22  21.802  -2.973  15.895
  152   HE21  GLN 832          HE21      GLN  22  19.591  -2.022  17.619
  153   HE22  GLN 832          HE22      GLN  22  20.242  -2.028  19.244
  154    H    GLY 833           H        GLY  23  24.253   1.524  15.377
  155    HA2  GLY 833           HA2      GLY  23  26.613   2.151  15.404
  156    HA3  GLY 833           HA3      GLY  23  26.843   1.285  13.890
  157    H    VAL 834           H        VAL  24  25.827   1.975  12.053
  158    HA   VAL 834           HA       VAL  24  24.460   4.532  11.764
  159    HB   VAL 834           HB       VAL  24  25.830   5.206   9.861
  160   HG11  VAL 834          HG11      VAL  24  26.189   6.265  12.010
  161   HG12  VAL 834          HG12      VAL  24  27.714   6.143  11.092
  162   HG13  VAL 834          HG13      VAL  24  27.424   5.031  12.417
  163   HG21  VAL 834          HG21      VAL  24  28.095   4.482   9.454
  164   HG22  VAL 834          HG22      VAL  24  26.969   3.164   9.176
  165   HG23  VAL 834          HG23      VAL  24  27.932   3.235  10.698
  166    H    ARG 835           H        ARG  25  23.098   4.453   9.905
  167    HA   ARG 835           HA       ARG  25  22.868   1.777   8.604
  168    HB2  ARG 835           HB2      ARG  25  20.831   2.582   9.441
  169    HB3  ARG 835           HB3      ARG  25  21.036   4.175   8.715
  170    HG2  ARG 835           HG2      ARG  25  20.726   3.229   6.454
  171    HG3  ARG 835           HG3      ARG  25  20.592   1.589   7.145
  172    HD2  ARG 835           HD2      ARG  25  18.638   2.248   8.429
  173    HD3  ARG 835           HD3      ARG  25  18.810   3.942   7.891
  174    HE   ARG 835           HE       ARG  25  18.494   2.157   5.632
  175   HH11  ARG 835          HH11      ARG  25  16.551   3.519   8.240
  176   HH12  ARG 835          HH12      ARG  25  15.088   3.336   7.312
  177   HH21  ARG 835          HH21      ARG  25  16.744   1.890   4.621
  178   HH22  ARG 835          HH22      ARG  25  15.187   2.526   5.179
  179    H    TRP 836           H        TRP  26  23.370   1.297   6.569
  180    HA   TRP 836           HA       TRP  26  24.407   3.466   4.798
  181    HB2  TRP 836           HB2      TRP  26  25.162   0.642   5.429
  182    HB3  TRP 836           HB3      TRP  26  25.458   1.169   3.854
  183    HD1  TRP 836           HD1      TRP  26  26.822   1.082   7.207
  184    HE1  TRP 836           HE1      TRP  26  29.153   2.182   7.245
  185    HE3  TRP 836           HE3      TRP  26  26.491   3.811   2.908
  186    HZ2  TRP 836           HZ2      TRP  26  30.581   4.172   5.729
  187    HZ3  TRP 836           HZ3      TRP  26  28.395   5.231   2.164
  188    HH2  TRP 836           HH2      TRP  26  30.429   5.438   3.576
  189    H    HIS 837           H        HIS  27  22.433   4.074   3.846
  190    HA   HIS 837           HA       HIS  27  20.455   2.127   2.885
  191    HB2  HIS 837           HB2      HIS  27  19.664   4.193   3.758
  192    HB3  HIS 837           HB3      HIS  27  20.769   5.136   2.761
  193    HD2  HIS 837           HD2      HIS  27  19.590   6.355   0.874
  194    HE1  HIS 837           HE1      HIS  27  16.380   3.650   0.110
  195    HE2  HIS 837           HE2      HIS  27  17.404   5.893  -0.533
  196    H    CYS 838           H        CYS  28  20.055   1.387   0.808
  197    HA   CYS 838           HA       CYS  28  22.001   1.886  -1.322
  198    HB2  CYS 838           HB2      CYS  28  19.839  -0.024  -0.700
  199    HB3  CYS 838           HB3      CYS  28  19.762   0.505  -2.334
  200    H    GLN 839           H        GLN  29  21.936   3.906  -2.034
  201    HA   GLN 839           HA       GLN  29  19.773   5.719  -2.046
  202    HB2  GLN 839           HB2      GLN  29  22.362   5.637  -3.635
  203    HB3  GLN 839           HB3      GLN  29  21.378   7.012  -3.635
  204    HG2  GLN 839           HG2      GLN  29  21.616   6.962  -0.999
  205    HG3  GLN 839           HG3      GLN  29  22.990   5.915  -1.324
  206   HE21  GLN 839          HE21      GLN  29  24.897   7.275  -1.118
  207   HE22  GLN 839          HE22      GLN  29  24.899   8.922  -1.694
  208    H    ASP 840           H        ASP  30  19.775   3.087  -4.024
  209    HA   ASP 840           HA       ASP  30  18.597   4.525  -6.332
  210    HB2  ASP 840           HB2      ASP  30  21.094   3.608  -6.410
  211    HB3  ASP 840           HB3      ASP  30  20.325   2.129  -6.850
  212    H    CYS 841           H        CYS  31  18.550   1.537  -4.319
  213    HA   CYS 841           HA       CYS  31  16.627   0.171  -5.894
  214    HB2  CYS 841           HB2      CYS  31  16.724   0.005  -2.920
  215    HB3  CYS 841           HB3      CYS  31  16.265  -1.208  -3.998
  216    HA   PRO 842           HA       PRO  32  12.928   2.516  -4.869
  217    HB2  PRO 842           HB2      PRO  32  10.992   0.758  -5.621
  218    HB3  PRO 842           HB3      PRO  32  12.235   1.293  -6.785
  219    HG2  PRO 842           HG2      PRO  32  12.230  -1.221  -5.075
  220    HG3  PRO 842           HG3      PRO  32  12.435  -1.106  -6.843
  221    HD2  PRO 842           HD2      PRO  32  14.557  -1.211  -5.146
  222    HD3  PRO 842           HD3      PRO  32  14.610  -0.265  -6.654
  223    HA   PRO 843           HA       PRO  33  11.271   1.621  -0.811
  224    HB2  PRO 843           HB2      PRO  33   8.436   1.449  -1.700
  225    HB3  PRO 843           HB3      PRO  33   9.197   2.577  -0.551
  226    HG2  PRO 843           HG2      PRO  33   8.378   3.167  -3.125
  227    HG3  PRO 843           HG3      PRO  33   9.665   4.089  -2.259
  228    HD2  PRO 843           HD2      PRO  33   9.889   2.082  -4.453
  229    HD3  PRO 843           HD3      PRO  33  10.998   3.408  -4.014
  230    H    GLU 844           H        GLU  34  10.433  -0.671  -3.367
  231    HA   GLU 844           HA       GLU  34   8.884  -2.433  -1.646
  232    HB2  GLU 844           HB2      GLU  34  10.022  -2.529  -4.479
  233    HB3  GLU 844           HB3      GLU  34   9.419  -3.994  -3.740
  234    HG2  GLU 844           HG2      GLU  34   7.715  -3.054  -5.089
  235    HG3  GLU 844           HG3      GLU  34   7.217  -2.998  -3.395
  236    H    MET 845           H        MET  35  12.082  -2.152  -2.938
  237    HA   MET 845           HA       MET  35  13.254  -4.557  -1.677
  238    HB2  MET 845           HB2      MET  35  12.851  -4.563  -4.054
  239    HB3  MET 845           HB3      MET  35  13.551  -2.992  -4.264
  240    HG2  MET 845           HG2      MET  35  15.032  -4.778  -5.045
  241    HG3  MET 845           HG3      MET  35  15.783  -3.877  -3.807
  242    HE1  MET 845           HE1      MET  35  14.424  -7.263  -5.027
  243    HE2  MET 845           HE2      MET  35  13.189  -6.947  -3.787
  244    HE3  MET 845           HE3      MET  35  14.352  -8.271  -3.562
  245    H    SER 846           H        SER  36  13.103  -2.379  -0.066
  246    HA   SER 846           HA       SER  36  15.102  -0.381  -0.758
  247    HB2  SER 846           HB2      SER  36  14.454   0.667   1.384
  248    HB3  SER 846           HB3      SER  36  13.071   0.237   0.342
  249    HG   SER 846           HG       SER  36  12.845  -0.291   2.609
  250    H    LEU 847           H        LEU  37  16.953  -1.730  -1.015
  251    HA   LEU 847           HA       LEU  37  17.964  -3.293   1.045
  252    HB2  LEU 847           HB2      LEU  37  19.314  -2.087  -1.313
  253    HB3  LEU 847           HB3      LEU  37  20.318  -2.559   0.016
  254    HG   LEU 847           HG       LEU  37  18.779  -4.805  -0.209
  255   HD11  LEU 847          HD11      LEU  37  18.728  -5.413  -2.555
  256   HD12  LEU 847          HD12      LEU  37  19.313  -3.771  -2.941
  257   HD13  LEU 847          HD13      LEU  37  17.696  -4.005  -2.225
  258   HD21  LEU 847          HD21      LEU  37  20.766  -5.782  -1.342
  259   HD22  LEU 847          HD22      LEU  37  21.252  -4.680  -0.035
  260   HD23  LEU 847          HD23      LEU  37  21.328  -4.130  -1.703
  261    H    ASP 848           H        ASP  38  19.478  -3.012   2.576
  262    HA   ASP 848           HA       ASP  38  20.723  -0.418   3.096
  263    HB2  ASP 848           HB2      ASP  38  19.287  -1.869   5.334
  264    HB3  ASP 848           HB3      ASP  38  20.187  -0.347   5.424
  265    H    PHE 849           H        PHE  39  22.659  -0.660   4.215
  266    HA   PHE 849           HA       PHE  39  23.513  -3.404   4.952
  267    HB2  PHE 849           HB2      PHE  39  25.200  -1.237   3.727
  268    HB3  PHE 849           HB3      PHE  39  25.797  -2.763   4.342
  269    HD1  PHE 849           HD1      PHE  39  25.801  -1.348   1.431
  270    HD2  PHE 849           HD2      PHE  39  23.659  -4.656   3.193
  271    HE1  PHE 849           HE1      PHE  39  25.489  -2.368  -0.814
  272    HE2  PHE 849           HE2      PHE  39  23.328  -5.636   0.932
  273    HZ   PHE 849           HZ       PHE  39  24.254  -4.496  -1.057
  274    H    CYS 850           H        CYS  40  25.075  -3.506   6.637
  275    HA   CYS 850           HA       CYS  40  24.882  -1.261   8.537
  276    HB2  CYS 850           HB2      CYS  40  25.674  -2.856  10.237
  277    HB3  CYS 850           HB3      CYS  40  24.228  -3.467   9.429
  278    H    ASP 851           H        ASP  41  26.955  -0.783   9.792
  279    HA   ASP 851           HA       ASP  41  28.826   0.108   7.812
  280    HB2  ASP 851           HB2      ASP  41  28.197   1.307   9.808
  281    HB3  ASP 851           HB3      ASP  41  29.031   0.206  10.852
  282    H    SER 852           H        SER  42  28.652  -2.884   9.372
  283    HA   SER 852           HA       SER  42  31.448  -3.736   8.967
  284    HB2  SER 852           HB2      SER  42  28.816  -5.240   9.266
  285    HB3  SER 852           HB3      SER  42  30.358  -6.026   9.245
  286    HG   SER 852           HG       SER  42  30.902  -4.921  11.216
  287    H    CYS 853           H        CYS  43  28.486  -3.474   7.116
  288    HA   CYS 853           HA       CYS  43  29.400  -5.379   5.072
  289    HB2  CYS 853           HB2      CYS  43  26.697  -4.544   6.106
  290    HB3  CYS 853           HB3      CYS  43  26.880  -5.361   4.549
  291    H    SER 854           H        SER  44  28.957  -1.885   5.256
  292    HA   SER 854           HA       SER  44  27.701  -1.499   2.772
  293    HB2  SER 854           HB2      SER  44  28.494   0.829   2.987
  294    HB3  SER 854           HB3      SER  44  27.769   0.120   4.428
  295    HG   SER 854           HG       SER  44  29.873   1.299   4.740
  296    H    ASP 855           H        ASP  45  30.946  -2.570   3.124
  297    HA   ASP 855           HA       ASP  45  31.982  -1.543   0.628
  298    HB2  ASP 855           HB2      ASP  45  33.301  -2.576   2.529
  299    HB3  ASP 855           HB3      ASP  45  32.638  -4.148   2.071
  300    H    CYS 856           H        CYS  46  29.344  -3.597   1.229
  301    HA   CYS 856           HA       CYS  46  29.648  -5.467  -0.968
  302    HB2  CYS 856           HB2      CYS  46  28.364  -6.008   1.018
  303    HB3  CYS 856           HB3      CYS  46  27.242  -4.665   0.719
  304    HG   CYS 856           HG       CYS  46  27.765  -7.522  -0.903
  305    H    LEU 857           H        LEU  47  28.711  -5.503  -2.897
  306    HA   LEU 857           HA       LEU  47  27.056  -3.323  -3.990
  307    HB2  LEU 857           HB2      LEU  47  29.504  -2.582  -4.098
  308    HB3  LEU 857           HB3      LEU  47  29.741  -3.886  -5.261
  309    HG   LEU 857           HG       LEU  47  27.843  -2.840  -6.613
  310   HD11  LEU 857          HD11      LEU  47  28.300  -0.497  -4.730
  311   HD12  LEU 857          HD12      LEU  47  26.782  -1.398  -4.932
  312   HD13  LEU 857          HD13      LEU  47  27.403  -0.419  -6.260
  313   HD21  LEU 857          HD21      LEU  47  29.298  -1.057  -7.554
  314   HD22  LEU 857          HD22      LEU  47  30.207  -2.545  -7.232
  315   HD23  LEU 857          HD23      LEU  47  30.337  -1.164  -6.118
  316    H    HIS 858           H        HIS  48  25.922  -5.460  -3.605
  317    HA   HIS 858           HA       HIS  48  26.230  -7.629  -5.544
  318    HB2  HIS 858           HB2      HIS  48  25.388  -7.817  -3.126
  319    HB3  HIS 858           HB3      HIS  48  23.948  -6.984  -3.628
  320    HD2  HIS 858           HD2      HIS  48  22.188  -8.875  -3.343
  321    HE1  HIS 858           HE1      HIS  48  24.073 -11.937  -5.648
  322    HE2  HIS 858           HE2      HIS  48  21.971 -11.303  -4.362
  323    H    GLU 859           H        GLU  49  24.367  -8.461  -6.718
  324    HA   GLU 859           HA       GLU  49  22.713  -6.388  -7.929
  325    HB2  GLU 859           HB2      GLU  49  24.086  -8.461  -9.651
  326    HB3  GLU 859           HB3      GLU  49  23.113  -7.081 -10.053
  327    HG2  GLU 859           HG2      GLU  49  25.017  -5.617  -9.020
  328    HG3  GLU 859           HG3      GLU  49  25.982  -7.087  -9.163
  329    H    THR 860           H        THR  50  20.685  -6.991  -8.260
  330    HA   THR 860           HA       THR  50  19.792  -9.837  -8.087
  331    HB   THR 860           HB       THR  50  17.980  -9.270  -6.670
  332    HG1  THR 860           HG1      THR  50  17.497  -7.214  -6.029
  333   HG21  THR 860          HG21      THR  50  18.942  -8.469  -4.595
  334   HG22  THR 860          HG22      THR  50  20.339  -7.787  -5.450
  335   HG23  THR 860          HG23      THR  50  20.095  -9.548  -5.405
  336    H    ASP 861           H        ASP  51  17.009  -9.178  -8.495
  337    HA   ASP 861           HA       ASP  51  16.866  -8.567 -11.311
  338    HB2  ASP 861           HB2      ASP  51  14.724  -8.460  -9.160
  339    HB3  ASP 861           HB3      ASP  51  14.433  -8.393 -10.897
  340    H    ILE 862           H        ILE  52  17.108  -6.487  -8.521
  341    HA   ILE 862           HA       ILE  52  16.408  -4.050 -10.134
  342    HB   ILE 862           HB       ILE  52  15.671  -4.737  -7.270
  343   HG12  ILE 862          HG12      ILE  52  14.155  -5.779  -8.923
  344   HG13  ILE 862          HG13      ILE  52  13.381  -4.616  -7.877
  345   HG21  ILE 862          HG21      ILE  52  16.251  -2.442  -7.185
  346   HG22  ILE 862          HG22      ILE  52  14.489  -2.450  -7.407
  347   HG23  ILE 862          HG23      ILE  52  15.580  -2.120  -8.787
  348   HD11  ILE 862          HD11      ILE  52  14.197  -4.087 -10.769
  349   HD12  ILE 862          HD12      ILE  52  13.360  -2.935  -9.702
  350   HD13  ILE 862          HD13      ILE  52  12.564  -4.441 -10.181
  351    H    HIS 863           H        HIS  53  18.182  -5.284  -7.250
  352    HA   HIS 863           HA       HIS  53  19.687  -2.796  -6.983
  353    HB2  HIS 863           HB2      HIS  53  19.028  -4.008  -5.058
  354    HB3  HIS 863           HB3      HIS  53  19.721  -5.497  -5.610
  355    HD2  HIS 863           HD2      HIS  53  21.940  -6.135  -4.580
  356    HE1  HIS 863           HE1      HIS  53  23.441  -2.307  -3.532
  357    H    LYS 864           H        LYS  54  21.940  -2.574  -7.577
  358    HA   LYS 864           HA       LYS  54  23.138  -4.487  -9.470
  359    HB2  LYS 864           HB2      LYS  54  22.416  -1.639 -10.268
  360    HB3  LYS 864           HB3      LYS  54  23.256  -2.804 -11.284
  361    HG2  LYS 864           HG2      LYS  54  20.396  -2.962 -10.348
  362    HG3  LYS 864           HG3      LYS  54  20.894  -2.390 -11.922
  363    HD2  LYS 864           HD2      LYS  54  21.597  -4.495 -12.698
  364    HD3  LYS 864           HD3      LYS  54  21.677  -5.210 -11.086
  365    HE2  LYS 864           HE2      LYS  54  19.253  -5.047 -10.817
  366    HE3  LYS 864           HE3      LYS  54  19.098  -4.236 -12.373
  367    HZ1  LYS 864           HZ1      LYS  54  18.599  -6.493 -12.785
  368    HZ2  LYS 864           HZ2      LYS  54  19.849  -7.063 -11.903
  369    HZ3  LYS 864           HZ3      LYS  54  20.119  -6.338 -13.371
  370    H    GLU 865           H        GLU  55  25.286  -3.664 -10.260
  371    HA   GLU 865           HA       GLU  55  26.664  -2.190  -8.178
  372    HB2  GLU 865           HB2      GLU  55  27.623  -2.822 -10.966
  373    HB3  GLU 865           HB3      GLU  55  28.587  -2.035  -9.699
  374    HG2  GLU 865           HG2      GLU  55  28.509  -4.059  -8.337
  375    HG3  GLU 865           HG3      GLU  55  27.384  -4.829  -9.447
  376    H    ASP 866           H        ASP  56  24.476  -1.054 -10.435
  377    HA   ASP 866           HA       ASP  56  25.693   1.504 -11.132
  378    HB2  ASP 866           HB2      ASP  56  22.768   0.699 -10.930
  379    HB3  ASP 866           HB3      ASP  56  23.390   2.162 -11.693
  380    H    HIS 867           H        HIS  57  24.856   0.227  -8.162
  381    HA   HIS 867           HA       HIS  57  23.367   2.219  -6.942
  382    HB2  HIS 867           HB2      HIS  57  24.709  -0.262  -6.169
  383    HB3  HIS 867           HB3      HIS  57  24.987   0.960  -4.951
  384    HD2  HIS 867           HD2      HIS  57  22.251  -1.021  -6.578
  385    HE1  HIS 867           HE1      HIS  57  20.218   1.604  -3.942
  386    H    GLN 868           H        GLN  58  23.797   3.309  -5.083
  387    HA   GLN 868           HA       GLN  58  26.420   4.488  -4.504
  388    HB2  GLN 868           HB2      GLN  58  23.894   6.065  -5.004
  389    HB3  GLN 868           HB3      GLN  58  25.347   6.728  -4.229
  390    HG2  GLN 868           HG2      GLN  58  25.179   5.612  -7.084
  391    HG3  GLN 868           HG3      GLN  58  25.063   7.299  -6.628
  392   HE21  GLN 868          HE21      GLN  58  27.365   4.561  -7.049
  393   HE22  GLN 868          HE22      GLN  58  28.775   5.600  -6.842
  394    H    LEU 869           H        LEU  59  26.750   4.511  -2.289
  395    HA   LEU 869           HA       LEU  59  24.468   3.607  -0.585
  396    HB2  LEU 869           HB2      LEU  59  27.469   3.315  -0.253
  397    HB3  LEU 869           HB3      LEU  59  26.263   2.830   0.929
  398    HG   LEU 869           HG       LEU  59  27.109   0.965  -0.238
  399   HD11  LEU 869          HD11      LEU  59  24.982  -0.133  -0.914
  400   HD12  LEU 869          HD12      LEU  59  24.202   1.433  -1.019
  401   HD13  LEU 869          HD13      LEU  59  24.782   0.837   0.559
  402   HD21  LEU 869          HD21      LEU  59  25.881   1.763  -2.867
  403   HD22  LEU 869          HD22      LEU  59  26.884   0.367  -2.487
  404   HD23  LEU 869          HD23      LEU  59  27.610   1.978  -2.463
  405    H    GLU 870           H        GLU  60  23.977   4.652   1.348
  406    HA   GLU 870           HA       GLU  60  25.241   7.351   1.727
  407    HB2  GLU 870           HB2      GLU  60  23.160   7.604   0.625
  408    HB3  GLU 870           HB3      GLU  60  22.345   6.529   1.730
  409    HG2  GLU 870           HG2      GLU  60  21.661   8.728   2.233
  410    HG3  GLU 870           HG3      GLU  60  22.696   8.210   3.546
  411    HA   PRO 871           HA       PRO  61  25.584   5.730   6.014
  412    HB2  PRO 871           HB2      PRO  61  27.303   7.577   6.969
  413    HB3  PRO 871           HB3      PRO  61  27.824   6.229   5.918
  414    HG2  PRO 871           HG2      PRO  61  27.331   9.116   5.179
  415    HG3  PRO 871           HG3      PRO  61  28.648   8.031   4.644
  416    HD2  PRO 871           HD2      PRO  61  26.335   8.572   3.194
  417    HD3  PRO 871           HD3      PRO  61  27.307   7.094   2.986
  418    H    ILE 872           H        ILE  62  24.147   6.147   7.508
  419    HA   ILE 872           HA       ILE  62  23.004   8.901   7.878
  420    HB   ILE 872           HB       ILE  62  21.693   6.172   8.062
  421   HG12  ILE 872          HG12      ILE  62  21.192   8.467   6.117
  422   HG13  ILE 872          HG13      ILE  62  22.086   6.995   5.738
  423   HG21  ILE 872          HG21      ILE  62  20.817   7.703   9.795
  424   HG22  ILE 872          HG22      ILE  62  19.604   7.398   8.573
  425   HG23  ILE 872          HG23      ILE  62  20.499   8.938   8.556
  426   HD11  ILE 872          HD11      ILE  62  19.123   7.157   6.381
  427   HD12  ILE 872          HD12      ILE  62  20.040   5.636   6.203
  428   HD13  ILE 872          HD13      ILE  62  19.888   6.758   4.840
  429    H    TYR 873           H        TYR  63  23.780   9.763   9.687
  430    HA   TYR 873           HA       TYR  63  24.503   8.036  11.996
  431    HB2  TYR 873           HB2      TYR  63  25.107  10.957  11.580
  432    HB3  TYR 873           HB3      TYR  63  25.651   9.856  12.865
  433    HD1  TYR 873           HD1      TYR  63  27.673  11.418  11.730
  434    HD2  TYR 873           HD2      TYR  63  25.995   7.777  10.160
  435    HE1  TYR 873           HE1      TYR  63  29.817  10.939  10.537
  436    HE2  TYR 873           HE2      TYR  63  28.138   7.263   9.030
  437    HH   TYR 873           HH       TYR  63  30.302   7.990   8.565
  438    H    ARG 874           H        ARG  64  21.839   8.319  11.592
  439    HA   ARG 874           HA       ARG  64  20.982   9.326  14.155
  440    HB2  ARG 874           HB2      ARG  64  19.263  10.926  13.331
  441    HB3  ARG 874           HB3      ARG  64  20.907  11.432  13.015
  442    HG2  ARG 874           HG2      ARG  64  19.756  11.981  11.088
  443    HG3  ARG 874           HG3      ARG  64  20.626  10.539  10.618
  444    HD2  ARG 874           HD2      ARG  64  18.565   9.212  10.926
  445    HD3  ARG 874           HD3      ARG  64  17.693  10.665  11.452
  446    HE   ARG 874           HE       ARG  64  18.760  11.287   8.946
  447   HH11  ARG 874          HH11      ARG  64  15.565   8.904   8.640
  448   HH12  ARG 874          HH12      ARG  64  16.419   8.982  10.155
  449   HH21  ARG 874          HH21      ARG  64  17.628  11.149   7.041
  450   HH22  ARG 874          HH22      ARG  64  16.247  10.100   6.912
  451    H1   ALA   1           H1       ALA  65  17.561  -3.536   4.898
  452    H2   ALA   1           H2       ALA  65  16.961  -2.399   3.862
  453    H3   ALA   1           H3       ALA  65  17.755  -3.728   3.288
  454    HA   ALA   1           HA       ALA  65  15.442  -3.952   2.935
  455    HB1  ALA   1           HB1      ALA  65  16.066  -6.039   2.970
  456    HB2  ALA   1           HB2      ALA  65  15.222  -6.142   4.512
  457    HB3  ALA   1           HB3      ALA  65  16.992  -5.913   4.496
  458    H    ARG   2           H        ARG  66  13.686  -2.736   3.513
  459    HA   ARG   2           HA       ARG  66  12.949  -1.960   6.138
  460    HB2  ARG   2           HB2      ARG  66  10.689  -1.649   5.193
  461    HB3  ARG   2           HB3      ARG  66  11.924  -1.023   4.158
  462    HG2  ARG   2           HG2      ARG  66  11.739  -3.143   2.751
  463    HG3  ARG   2           HG3      ARG  66  10.387  -3.649   3.765
  464    HD2  ARG   2           HD2      ARG  66  10.480  -1.053   2.197
  465    HD3  ARG   2           HD3      ARG  66   9.747  -2.554   1.613
  466    HE   ARG   2           HE       ARG  66   8.516  -2.085   4.091
  467   HH11  ARG   2          HH11      ARG  66   6.597  -1.128   4.334
  468   HH12  ARG   2          HH12      ARG  66   5.950  -0.048   3.118
  469   HH21  ARG   2          HH21      ARG  66   8.673  -0.409   1.012
  470   HH22  ARG   2          HH22      ARG  66   7.110   0.347   1.250
  471    H    THR   3           H        THR  67  12.199  -2.923   7.884
  472    HA   THR   3           HA       THR  67  10.593  -5.444   7.655
  473    HB   THR   3           HB       THR  67  11.560  -6.321   9.682
  474    HG1  THR   3           HG1      THR  67  13.306  -5.305  10.659
  475   HG21  THR   3          HG21      THR  67  13.795  -6.884   8.979
  476   HG22  THR   3          HG22      THR  67  13.887  -5.455   7.923
  477   HG23  THR   3          HG23      THR  67  12.791  -6.805   7.516
  478    H    LYS   4           H        LYS  68  10.864  -2.254   9.013
  479    HA   LYS   4           HA       LYS  68   9.181  -2.427  11.243
  480    HB2  LYS   4           HB2      LYS  68  10.595  -0.447  10.379
  481    HB3  LYS   4           HB3      LYS  68   9.300  -0.096   9.260
  482    HG2  LYS   4           HG2      LYS  68   9.193   1.349  11.190
  483    HG3  LYS   4           HG3      LYS  68   7.756   0.319  11.153
  484    HD2  LYS   4           HD2      LYS  68   8.658  -1.077  12.969
  485    HD3  LYS   4           HD3      LYS  68  10.229  -0.284  12.840
  486    HE2  LYS   4           HE2      LYS  68   9.153   0.590  14.774
  487    HE3  LYS   4           HE3      LYS  68   9.205   1.871  13.563
  488    HZ1  LYS   4           HZ1      LYS  68   7.030   1.724  14.670
  489    HZ2  LYS   4           HZ2      LYS  68   6.807   0.189  14.169
  490    HZ3  LYS   4           HZ3      LYS  68   6.840   1.419  13.080
  491    H    GLN   5           H        GLN  69   8.221  -1.913   7.864
  492    HA   GLN   5           HA       GLN  69   5.555  -3.093   8.384
  493    HB2  GLN   5           HB2      GLN  69   5.949  -0.387   7.020
  494    HB3  GLN   5           HB3      GLN  69   4.466  -1.346   6.973
  495    HG2  GLN   5           HG2      GLN  69   4.373  -1.215   9.492
  496    HG3  GLN   5           HG3      GLN  69   5.716  -0.063   9.434
  497   HE21  GLN   5          HE21      GLN  69   3.341   0.752  10.616
  498   HE22  GLN   5          HE22      GLN  69   2.549   1.909   9.554
  499    H    THR   6           H        THR  70   5.294  -4.672   6.921
  500    HA   THR   6           HA       THR  70   6.478  -4.410   4.170
  501    HB   THR   6           HB       THR  70   7.014  -6.800   4.275
  502    HG1  THR   6           HG1      THR  70   6.837  -7.890   6.231
  503   HG21  THR   6          HG21      THR  70   8.232  -5.361   6.664
  504   HG22  THR   6          HG22      THR  70   8.745  -5.122   4.973
  505   HG23  THR   6          HG23      THR  70   8.935  -6.705   5.740
  506    H    ALA   7           H        ALA  71   3.635  -5.189   5.988
  507    HA   ALA   7           HA       ALA  71   2.086  -5.705   3.558
  508    HB1  ALA   7           HB1      ALA  71   1.243  -7.897   4.361
  509    HB2  ALA   7           HB2      ALA  71   2.335  -7.816   5.762
  510    HB3  ALA   7           HB3      ALA  71   2.994  -7.961   4.119
  511    H    ARG   8           H        ARG  72  -0.271  -5.898   4.071
  512    HA   ARG   8           HA       ARG  72  -1.180  -3.969   6.039
  513    HB2  ARG   8           HB2      ARG  72  -2.282  -4.459   3.846
  514    HB3  ARG   8           HB3      ARG  72  -2.778  -6.044   4.459
  515    HG2  ARG   8           HG2      ARG  72  -4.131  -4.945   6.222
  516    HG3  ARG   8           HG3      ARG  72  -3.572  -3.351   5.661
  517    HD2  ARG   8           HD2      ARG  72  -4.626  -3.764   3.457
  518    HD3  ARG   8           HD3      ARG  72  -5.179  -5.359   4.024
  519    HE   ARG   8           HE       ARG  72  -6.102  -3.393   5.860
  520   HH11  ARG   8          HH11      ARG  72  -8.202  -2.656   5.877
  521   HH12  ARG   8          HH12      ARG  72  -9.197  -2.823   4.459
  522   HH21  ARG   8          HH21      ARG  72  -6.780  -4.335   2.548
  523   HH22  ARG   8          HH22      ARG  72  -8.414  -3.734   2.619
  524    H    LYS   9           H        LYS  73  -1.083  -7.508   5.990
  525    HA   LYS   9           HA       LYS  73  -2.348  -7.932   8.568
  526    HB2  LYS   9           HB2      LYS  73  -2.212  -9.618   6.704
  527    HB3  LYS   9           HB3      LYS  73  -0.473  -9.711   6.938
  528    HG2  LYS   9           HG2      LYS  73  -1.506 -11.621   7.944
  529    HG3  LYS   9           HG3      LYS  73  -0.841 -10.626   9.236
  530    HD2  LYS   9           HD2      LYS  73  -3.119  -9.752   9.736
  531    HD3  LYS   9           HD3      LYS  73  -3.774 -10.678   8.370
  532    HE2  LYS   9           HE2      LYS  73  -3.009 -12.789   9.456
  533    HE3  LYS   9           HE3      LYS  73  -2.379 -11.860  10.819
  534    HZ1  LYS   9           HZ1      LYS  73  -4.598 -12.747  11.293
  535    HZ2  LYS   9           HZ2      LYS  73  -5.248 -11.976  10.014
  536    HZ3  LYS   9           HZ3      LYS  73  -4.670 -11.119  11.282
  537    H    SER  10           H        SER  74  -1.410  -8.289  10.581
  538    HA   SER  10           HA       SER  74   0.900  -6.871  11.327
  539    HB2  SER  10           HB2      SER  74  -0.391  -9.198  12.798
  540    HB3  SER  10           HB3      SER  74   0.634  -7.942  13.510
  541    HG   SER  10           HG       SER  74  -0.964  -6.415  13.106
  542    H    THR  11           H        THR  75   3.011  -7.406  11.859
  543    HA   THR  11           HA       THR  75   4.205  -9.648  10.446
  544    HB   THR  11           HB       THR  75   6.335  -8.747  11.365
  545    HG1  THR  11           HG1      THR  75   5.739  -7.832  13.295
  546   HG21  THR  11          HG21      THR  75   5.394  -7.869   9.247
  547   HG22  THR  11          HG22      THR  75   6.314  -6.647  10.141
  548   HG23  THR  11          HG23      THR  75   4.539  -6.602  10.156
  549    H    GLY  12           H        GLY  76   3.095  -9.263  13.706
  550    HA2  GLY  12           HA2      GLY  76   4.761 -11.332  14.944
  551    HA3  GLY  12           HA3      GLY  76   3.363 -10.523  15.658
  Start of MODEL   14
    1    H1   GLY 811           H1       GLY   1  21.219  11.749  18.994
    2    H2   GLY 811           H2       GLY   1  19.919  10.856  19.433
    3    H3   GLY 811           H3       GLY   1  20.363  10.920  17.862
    4    HA2  GLY 811           HA2      GLY   1  21.921   9.653  20.046
    5    HA3  GLY 811           HA3      GLY   1  21.003   8.800  18.805
    6    HA   PRO 812           HA       PRO   2  25.134  10.709  16.993
    7    HB2  PRO 812           HB2      PRO   2  26.867   9.504  19.151
    8    HB3  PRO 812           HB3      PRO   2  27.090  11.032  18.247
    9    HG2  PRO 812           HG2      PRO   2  26.198  11.102  20.774
   10    HG3  PRO 812           HG3      PRO   2  25.399  12.127  19.536
   11    HD2  PRO 812           HD2      PRO   2  24.517   9.398  20.553
   12    HD3  PRO 812           HD3      PRO   2  23.565  10.909  20.411
   13    H    LEU 813           H        LEU   3  26.869   9.633  15.821
   14    HA   LEU 813           HA       LEU   3  26.267   7.033  14.975
   15    HB2  LEU 813           HB2      LEU   3  28.194   7.022  13.680
   16    HB3  LEU 813           HB3      LEU   3  27.580   8.656  13.651
   17    HG   LEU 813           HG       LEU   3  29.955   7.658  15.284
   18   HD11  LEU 813          HD11      LEU   3  29.865   9.350  12.751
   19   HD12  LEU 813          HD12      LEU   3  30.352   7.643  12.838
   20   HD13  LEU 813          HD13      LEU   3  31.327   8.876  13.648
   21   HD21  LEU 813          HD21      LEU   3  29.057   9.584  16.408
   22   HD22  LEU 813          HD22      LEU   3  28.966  10.496  14.867
   23   HD23  LEU 813          HD23      LEU   3  30.533  10.039  15.573
   24    H    GLY 814           H        GLY   4  27.189   5.040  15.230
   25    HA2  GLY 814           HA2      GLY   4  28.166   3.281  16.401
   26    HA3  GLY 814           HA3      GLY   4  28.820   4.386  17.624
   27    H    SER 815           H        SER   5  25.873   5.570  17.656
   28    HA   SER 815           HA       SER   5  24.467   3.364  19.107
   29    HB2  SER 815           HB2      SER   5  23.967   6.315  19.511
   30    HB3  SER 815           HB3      SER   5  23.467   4.980  20.551
   31    HG   SER 815           HG       SER   5  26.107   6.024  20.261
   32    H    VAL 816           H        VAL   6  24.393   4.541  16.139
   33    HA   VAL 816           HA       VAL   6  21.540   5.271  16.035
   34    HB   VAL 816           HB       VAL   6  23.864   5.207  14.127
   35   HG11  VAL 816          HG11      VAL   6  20.975   5.508  13.470
   36   HG12  VAL 816          HG12      VAL   6  22.176   4.362  12.777
   37   HG13  VAL 816          HG13      VAL   6  22.319   6.118  12.444
   38   HG21  VAL 816          HG21      VAL   6  21.786   7.264  14.868
   39   HG22  VAL 816          HG22      VAL   6  23.371   7.518  14.044
   40   HG23  VAL 816          HG23      VAL   6  23.324   7.079  15.751
   41    H    GLN 817           H        GLN   7  20.119   3.815  16.070
   42    HA   GLN 817           HA       GLN   7  20.654   1.051  15.066
   43    HB2  GLN 817           HB2      GLN   7  19.234   0.330  17.048
   44    HB3  GLN 817           HB3      GLN   7  20.917   0.776  17.358
   45    HG2  GLN 817           HG2      GLN   7  20.280   2.971  18.182
   46    HG3  GLN 817           HG3      GLN   7  18.602   2.712  17.827
   47   HE21  GLN 817          HE21      GLN   7  19.216   3.547  20.273
   48   HE22  GLN 817          HE22      GLN   7  19.286   2.271  21.475
   49    H    HIS 818           H        HIS   8  19.619   1.170  13.235
   50    HA   HIS 818           HA       HIS   8  17.068   2.542  13.041
   51    HB2  HIS 818           HB2      HIS   8  18.854   1.078  11.106
   52    HB3  HIS 818           HB3      HIS   8  17.192   1.496  10.666
   53    HD2  HIS 818           HD2      HIS   8  20.156   3.500  12.203
   54    HE1  HIS 818           HE1      HIS   8  17.625   6.204  10.090
   55    HE2  HIS 818           HE2      HIS   8  19.681   6.038  11.536
   56    H    VAL 819           H        VAL   9  16.343   1.032  14.866
   57    HA   VAL 819           HA       VAL   9  15.358  -1.592  14.565
   58    HB   VAL 819           HB       VAL   9  14.321   0.733  16.193
   59   HG11  VAL 819          HG11      VAL   9  13.344  -0.987  17.648
   60   HG12  VAL 819          HG12      VAL   9  13.830  -2.262  16.511
   61   HG13  VAL 819          HG13      VAL   9  12.596  -1.060  16.041
   62   HG21  VAL 819          HG21      VAL   9  15.571  -0.380  18.018
   63   HG22  VAL 819          HG22      VAL   9  16.656   0.132  16.735
   64   HG23  VAL 819          HG23      VAL   9  16.193  -1.584  16.873
   65    H    GLY 820           H        GLY  10  14.487  -2.177  12.699
   66    HA2  GLY 820           HA2      GLY  10  12.284  -2.336  11.521
   67    HA3  GLY 820           HA3      GLY  10  12.272  -0.611  11.417
   68    H    PHE 821           H        PHE  11  15.514  -1.591  10.905
   69    HA   PHE 821           HA       PHE  11  15.113  -2.088   7.990
   70    HB2  PHE 821           HB2      PHE  11  16.923   0.074   9.072
   71    HB3  PHE 821           HB3      PHE  11  16.845  -0.448   7.414
   72    HD1  PHE 821           HD1      PHE  11  15.030   1.403  10.076
   73    HD2  PHE 821           HD2      PHE  11  15.028   0.212   5.929
   74    HE1  PHE 821           HE1      PHE  11  13.264   3.075   9.598
   75    HE2  PHE 821           HE2      PHE  11  13.255   1.888   5.456
   76    HZ   PHE 821           HZ       PHE  11  12.368   3.316   7.288
   77    H    LYS 822           H        LYS  12  15.930  -4.002   7.800
   78    HA   LYS 822           HA       LYS  12  18.158  -5.101   9.248
   79    HB2  LYS 822           HB2      LYS  12  16.174  -6.422   8.589
   80    HB3  LYS 822           HB3      LYS  12  16.503  -6.086   6.906
   81    HG2  LYS 822           HG2      LYS  12  18.757  -7.321   7.288
   82    HG3  LYS 822           HG3      LYS  12  18.068  -7.950   8.754
   83    HD2  LYS 822           HD2      LYS  12  16.762  -8.173   6.042
   84    HD3  LYS 822           HD3      LYS  12  17.944  -9.351   6.597
   85    HE2  LYS 822           HE2      LYS  12  16.593  -9.868   8.543
   86    HE3  LYS 822           HE3      LYS  12  15.332  -8.716   8.061
   87    HZ1  LYS 822           HZ1      LYS  12  14.755 -10.994   7.382
   88    HZ2  LYS 822           HZ2      LYS  12  16.119 -11.156   6.514
   89    HZ3  LYS 822           HZ3      LYS  12  14.967 -10.090   6.043
   90    H    CYS 823           H        CYS  13  20.219  -5.612   8.457
   91    HA   CYS 823           HA       CYS  13  21.320  -4.395   6.023
   92    HB2  CYS 823           HB2      CYS  13  22.775  -4.615   7.965
   93    HB3  CYS 823           HB3      CYS  13  22.363  -6.322   8.126
   94    H    ASP 824           H        ASP  14  20.727  -5.341   4.018
   95    HA   ASP 824           HA       ASP  14  19.692  -8.009   3.796
   96    HB2  ASP 824           HB2      ASP  14  20.907  -6.200   1.671
   97    HB3  ASP 824           HB3      ASP  14  20.033  -7.681   1.341
   98    H    ASN 825           H        ASN  15  22.979  -7.009   4.081
   99    HA   ASN 825           HA       ASN  15  24.078  -9.187   2.426
  100    HB2  ASN 825           HB2      ASN  15  25.082  -6.909   2.413
  101    HB3  ASN 825           HB3      ASN  15  25.474  -7.100   4.123
  102   HD21  ASN 825          HD21      ASN  15  27.494  -7.767   4.521
  103   HD22  ASN 825          HD22      ASN  15  28.423  -8.828   3.459
  104    H    CYS 826           H        CYS  16  24.225  -8.332   5.964
  105    HA   CYS 826           HA       CYS  16  24.877 -11.188   6.506
  106    HB2  CYS 826           HB2      CYS  16  25.974 -10.525   8.479
  107    HB3  CYS 826           HB3      CYS  16  26.603  -9.565   7.154
  108    H    GLY 827           H        GLY  17  22.228  -9.074   6.707
  109    HA2  GLY 827           HA2      GLY  17  20.122  -9.553   7.298
  110    HA3  GLY 827           HA3      GLY  17  20.585 -11.117   7.865
  111    H    ILE 828           H        ILE  18  22.243  -8.424   9.459
  112    HA   ILE 828           HA       ILE  18  20.784  -8.777  11.956
  113    HB   ILE 828           HB       ILE  18  22.992  -7.979  12.195
  114   HG12  ILE 828          HG12      ILE  18  21.434  -5.417  12.650
  115   HG13  ILE 828          HG13      ILE  18  20.974  -6.864  13.513
  116   HG21  ILE 828          HG21      ILE  18  23.940  -5.917  11.308
  117   HG22  ILE 828          HG22      ILE  18  22.409  -5.496  10.507
  118   HG23  ILE 828          HG23      ILE  18  23.361  -6.887   9.978
  119   HD11  ILE 828          HD11      ILE  18  23.249  -7.064  14.467
  120   HD12  ILE 828          HD12      ILE  18  22.465  -5.521  14.880
  121   HD13  ILE 828          HD13      ILE  18  23.724  -5.564  13.631
  122    H    GLU 829           H        GLU  19  18.829  -8.454  12.122
  123    HA   GLU 829           HA       GLU  19  17.267  -7.007  10.397
  124    HB2  GLU 829           HB2      GLU  19  15.469  -7.343  12.257
  125    HB3  GLU 829           HB3      GLU  19  16.003  -8.581  11.133
  126    HG2  GLU 829           HG2      GLU  19  17.397  -9.616  12.831
  127    HG3  GLU 829           HG3      GLU  19  17.139  -8.274  13.942
  128    HA   PRO 830           HA       PRO  20  17.594  -3.117  11.599
  129    HB2  PRO 830           HB2      PRO  20  17.440  -2.048  13.915
  130    HB3  PRO 830           HB3      PRO  20  16.137  -3.192  13.383
  131    HG2  PRO 830           HG2      PRO  20  18.468  -3.689  15.199
  132    HG3  PRO 830           HG3      PRO  20  16.768  -4.181  15.407
  133    HD2  PRO 830           HD2      PRO  20  18.901  -5.736  14.271
  134    HD3  PRO 830           HD3      PRO  20  17.159  -6.074  14.081
  135    H    ILE 831           H        ILE  21  19.244  -1.920  10.894
  136    HA   ILE 831           HA       ILE  21  21.917  -2.638  11.618
  137    HB   ILE 831           HB       ILE  21  20.812  -0.351   9.982
  138   HG12  ILE 831          HG12      ILE  21  22.442  -2.597   8.845
  139   HG13  ILE 831          HG13      ILE  21  20.847  -3.077   9.425
  140   HG21  ILE 831          HG21      ILE  21  23.691  -1.205  10.525
  141   HG22  ILE 831          HG22      ILE  21  22.963   0.395  10.749
  142   HG23  ILE 831          HG23      ILE  21  23.207  -0.246   9.118
  143   HD11  ILE 831          HD11      ILE  21  20.909  -2.399   7.010
  144   HD12  ILE 831          HD12      ILE  21  21.322  -0.747   7.509
  145   HD13  ILE 831          HD13      ILE  21  19.767  -1.436   7.965
  146    H    GLN 832           H        GLN  22  22.677  -2.330  13.584
  147    HA   GLN 832           HA       GLN  22  22.497   0.265  14.916
  148    HB2  GLN 832           HB2      GLN  22  23.958  -2.200  15.853
  149    HB3  GLN 832           HB3      GLN  22  23.588  -0.726  16.756
  150    HG2  GLN 832           HG2      GLN  22  21.036  -1.481  15.910
  151    HG3  GLN 832           HG3      GLN  22  21.812  -3.046  15.971
  152   HE21  GLN 832          HE21      GLN  22  19.566  -2.082  17.638
  153   HE22  GLN 832          HE22      GLN  22  20.168  -2.089  19.284
  154    H    GLY 833           H        GLY  23  24.206   1.574  15.458
  155    HA2  GLY 833           HA2      GLY  23  26.561   2.248  15.455
  156    HA3  GLY 833           HA3      GLY  23  26.800   1.330  13.989
  157    H    VAL 834           H        VAL  24  25.739   1.920  12.088
  158    HA   VAL 834           HA       VAL  24  24.458   4.529  11.774
  159    HB   VAL 834           HB       VAL  24  25.844   5.162   9.872
  160   HG11  VAL 834          HG11      VAL  24  26.267   6.173  12.053
  161   HG12  VAL 834          HG12      VAL  24  27.757   6.050  11.086
  162   HG13  VAL 834          HG13      VAL  24  27.499   4.919  12.396
  163   HG21  VAL 834          HG21      VAL  24  26.871   3.140   9.115
  164   HG22  VAL 834          HG22      VAL  24  27.801   3.032  10.654
  165   HG23  VAL 834          HG23      VAL  24  28.093   4.339   9.483
  166    H    ARG 835           H        ARG  25  22.938   4.412  10.082
  167    HA   ARG 835           HA       ARG  25  22.685   1.751   8.745
  168    HB2  ARG 835           HB2      ARG  25  20.654   2.539   9.587
  169    HB3  ARG 835           HB3      ARG  25  20.851   4.138   8.859
  170    HG2  ARG 835           HG2      ARG  25  20.600   3.145   6.591
  171    HG3  ARG 835           HG3      ARG  25  20.420   1.533   7.315
  172    HD2  ARG 835           HD2      ARG  25  18.365   2.202   8.417
  173    HD3  ARG 835           HD3      ARG  25  18.647   3.902   7.970
  174    HE   ARG 835           HE       ARG  25  18.393   1.984   5.726
  175   HH11  ARG 835          HH11      ARG  25  17.018   2.265   4.280
  176   HH12  ARG 835          HH12      ARG  25  15.665   3.396   4.427
  177   HH21  ARG 835          HH21      ARG  25  16.540   4.193   7.718
  178   HH22  ARG 835          HH22      ARG  25  15.382   4.461   6.444
  179    H    TRP 836           H        TRP  26  23.378   1.246   6.788
  180    HA   TRP 836           HA       TRP  26  24.198   3.404   4.869
  181    HB2  TRP 836           HB2      TRP  26  24.981   0.576   5.423
  182    HB3  TRP 836           HB3      TRP  26  25.187   1.134   3.890
  183    HD1  TRP 836           HD1      TRP  26  26.747   0.972   7.167
  184    HE1  TRP 836           HE1      TRP  26  29.148   1.940   7.033
  185    HE3  TRP 836           HE3      TRP  26  26.269   3.729   2.924
  186    HZ2  TRP 836           HZ2      TRP  26  30.632   3.687   5.314
  187    HZ3  TRP 836           HZ3      TRP  26  28.232   4.947   1.966
  188    HH2  TRP 836           HH2      TRP  26  30.406   4.945   3.168
  189    H    HIS 837           H        HIS  27  22.360   4.016   3.740
  190    HA   HIS 837           HA       HIS  27  20.352   1.947   2.957
  191    HB2  HIS 837           HB2      HIS  27  19.412   3.874   3.976
  192    HB3  HIS 837           HB3      HIS  27  20.410   4.969   3.014
  193    HD2  HIS 837           HD2      HIS  27  19.226   6.111   1.077
  194    HE1  HIS 837           HE1      HIS  27  16.116   3.285   0.321
  195    HE2  HIS 837           HE2      HIS  27  17.066   5.558  -0.336
  196    H    CYS 838           H        CYS  28  19.985   1.217   0.880
  197    HA   CYS 838           HA       CYS  28  21.869   1.875  -1.223
  198    HB2  CYS 838           HB2      CYS  28  19.836  -0.143  -0.664
  199    HB3  CYS 838           HB3      CYS  28  19.670   0.438  -2.290
  200    H    GLN 839           H        GLN  29  21.786   3.841  -1.971
  201    HA   GLN 839           HA       GLN  29  19.521   5.559  -2.003
  202    HB2  GLN 839           HB2      GLN  29  22.298   5.704  -3.199
  203    HB3  GLN 839           HB3      GLN  29  21.246   7.012  -3.409
  204    HG2  GLN 839           HG2      GLN  29  21.624   6.031  -0.550
  205    HG3  GLN 839           HG3      GLN  29  22.954   6.828  -1.367
  206   HE21  GLN 839          HE21      GLN  29  22.618   9.122  -2.096
  207   HE22  GLN 839          HE22      GLN  29  21.303  10.041  -1.389
  208    H    ASP 840           H        ASP  30  19.701   3.028  -3.979
  209    HA   ASP 840           HA       ASP  30  18.472   4.440  -6.281
  210    HB2  ASP 840           HB2      ASP  30  21.013   3.544  -6.386
  211    HB3  ASP 840           HB3      ASP  30  20.220   2.093  -6.888
  212    H    CYS 841           H        CYS  31  18.523   1.429  -4.318
  213    HA   CYS 841           HA       CYS  31  16.591   0.074  -5.893
  214    HB2  CYS 841           HB2      CYS  31  16.717  -0.161  -2.937
  215    HB3  CYS 841           HB3      CYS  31  16.291  -1.370  -4.041
  216    HA   PRO 842           HA       PRO  32  12.863   2.359  -4.727
  217    HB2  PRO 842           HB2      PRO  32  10.943   0.552  -5.444
  218    HB3  PRO 842           HB3      PRO  32  12.097   1.182  -6.645
  219    HG2  PRO 842           HG2      PRO  32  12.302  -1.389  -5.031
  220    HG3  PRO 842           HG3      PRO  32  12.372  -1.213  -6.801
  221    HD2  PRO 842           HD2      PRO  32  14.638  -1.284  -5.346
  222    HD3  PRO 842           HD3      PRO  32  14.492  -0.177  -6.735
  223    HA   PRO 843           HA       PRO  33  11.398   1.210  -0.627
  224    HB2  PRO 843           HB2      PRO  33   8.551   0.919  -1.463
  225    HB3  PRO 843           HB3      PRO  33   9.271   2.003  -0.238
  226    HG2  PRO 843           HG2      PRO  33   8.372   2.815  -2.695
  227    HG3  PRO 843           HG3      PRO  33   9.730   3.639  -1.840
  228    HD2  PRO 843           HD2      PRO  33   9.796   1.731  -4.151
  229    HD3  PRO 843           HD3      PRO  33  10.879   3.105  -3.778
  230    H    GLU 844           H        GLU  34  10.462  -0.922  -3.316
  231    HA   GLU 844           HA       GLU  34   9.009  -2.857  -1.726
  232    HB2  GLU 844           HB2      GLU  34  10.241  -2.788  -4.521
  233    HB3  GLU 844           HB3      GLU  34   9.374  -4.183  -3.959
  234    HG2  GLU 844           HG2      GLU  34   8.274  -1.342  -4.236
  235    HG3  GLU 844           HG3      GLU  34   8.021  -2.676  -5.350
  236    H    MET 845           H        MET  35  12.230  -2.347  -2.785
  237    HA   MET 845           HA       MET  35  13.405  -4.873  -1.815
  238    HB2  MET 845           HB2      MET  35  12.889  -4.640  -4.244
  239    HB3  MET 845           HB3      MET  35  13.690  -3.099  -4.280
  240    HG2  MET 845           HG2      MET  35  15.085  -4.773  -5.238
  241    HG3  MET 845           HG3      MET  35  15.846  -4.288  -3.775
  242    HE1  MET 845           HE1      MET  35  16.269  -7.008  -5.688
  243    HE2  MET 845           HE2      MET  35  16.701  -8.165  -4.413
  244    HE3  MET 845           HE3      MET  35  17.365  -6.512  -4.377
  245    H    SER 846           H        SER  36  13.056  -2.450  -0.314
  246    HA   SER 846           HA       SER  36  15.109  -0.517  -0.870
  247    HB2  SER 846           HB2      SER  36  14.354   0.478   1.310
  248    HB3  SER 846           HB3      SER  36  13.059   0.110   0.149
  249    HG   SER 846           HG       SER  36  13.795  -1.405   2.437
  250    H    LEU 847           H        LEU  37  17.005  -1.783  -1.046
  251    HA   LEU 847           HA       LEU  37  17.921  -3.403   0.975
  252    HB2  LEU 847           HB2      LEU  37  19.332  -2.160  -1.327
  253    HB3  LEU 847           HB3      LEU  37  20.324  -2.538   0.033
  254    HG   LEU 847           HG       LEU  37  18.942  -4.872  -0.136
  255   HD11  LEU 847          HD11      LEU  37  17.809  -4.231  -2.170
  256   HD12  LEU 847          HD12      LEU  37  18.941  -5.568  -2.456
  257   HD13  LEU 847          HD13      LEU  37  19.401  -3.897  -2.907
  258   HD21  LEU 847          HD21      LEU  37  21.471  -4.099  -1.598
  259   HD22  LEU 847          HD22      LEU  37  20.982  -5.766  -1.205
  260   HD23  LEU 847          HD23      LEU  37  21.365  -4.614   0.090
  261    H    ASP 848           H        ASP  38  19.376  -3.169   2.606
  262    HA   ASP 848           HA       ASP  38  20.622  -0.586   3.155
  263    HB2  ASP 848           HB2      ASP  38  19.209  -2.003   5.415
  264    HB3  ASP 848           HB3      ASP  38  20.113  -0.487   5.461
  265    H    PHE 849           H        PHE  39  22.454  -0.808   4.504
  266    HA   PHE 849           HA       PHE  39  23.475  -3.527   5.010
  267    HB2  PHE 849           HB2      PHE  39  25.028  -1.245   3.787
  268    HB3  PHE 849           HB3      PHE  39  25.722  -2.740   4.376
  269    HD1  PHE 849           HD1      PHE  39  23.710  -4.753   3.206
  270    HD2  PHE 849           HD2      PHE  39  25.618  -1.277   1.515
  271    HE1  PHE 849           HE1      PHE  39  23.513  -5.740   0.936
  272    HE2  PHE 849           HE2      PHE  39  25.462  -2.296  -0.740
  273    HZ   PHE 849           HZ       PHE  39  24.413  -4.533  -1.033
  274    H    CYS 850           H        CYS  40  25.032  -3.646   6.683
  275    HA   CYS 850           HA       CYS  40  24.940  -1.375   8.569
  276    HB2  CYS 850           HB2      CYS  40  25.798  -2.955  10.249
  277    HB3  CYS 850           HB3      CYS  40  24.304  -3.542   9.524
  278    H    ASP 851           H        ASP  41  27.083  -0.821   9.686
  279    HA   ASP 851           HA       ASP  41  28.839  -0.045   7.553
  280    HB2  ASP 851           HB2      ASP  41  28.431   1.319   9.448
  281    HB3  ASP 851           HB3      ASP  41  29.192   0.211  10.560
  282    H    SER 852           H        SER  42  28.819  -2.908   9.444
  283    HA   SER 852           HA       SER  42  31.496  -3.883   8.846
  284    HB2  SER 852           HB2      SER  42  28.834  -5.287   9.272
  285    HB3  SER 852           HB3      SER  42  30.348  -6.121   9.248
  286    HG   SER 852           HG       SER  42  30.973  -4.973  11.163
  287    H    CYS 853           H        CYS  43  28.528  -3.546   7.020
  288    HA   CYS 853           HA       CYS  43  29.333  -5.602   5.065
  289    HB2  CYS 853           HB2      CYS  43  26.677  -4.680   6.148
  290    HB3  CYS 853           HB3      CYS  43  26.792  -5.484   4.578
  291    H    SER 854           H        SER  44  28.668  -2.097   5.153
  292    HA   SER 854           HA       SER  44  27.547  -2.000   2.579
  293    HB2  SER 854           HB2      SER  44  27.466  -0.256   4.422
  294    HB3  SER 854           HB3      SER  44  29.001   0.341   3.747
  295    HG   SER 854           HG       SER  44  27.985   0.794   1.833
  296    H    ASP 855           H        ASP  45  30.742  -2.791   3.065
  297    HA   ASP 855           HA       ASP  45  31.931  -1.626   0.683
  298    HB2  ASP 855           HB2      ASP  45  32.554  -4.230   2.143
  299    HB3  ASP 855           HB3      ASP  45  33.576  -3.458   0.931
  300    H    CYS 856           H        CYS  46  29.465  -3.957   1.149
  301    HA   CYS 856           HA       CYS  46  29.853  -5.588  -1.202
  302    HB2  CYS 856           HB2      CYS  46  28.661  -6.379   0.731
  303    HB3  CYS 856           HB3      CYS  46  27.438  -5.094   0.592
  304    HG   CYS 856           HG       CYS  46  26.747  -7.693  -0.143
  305    H    LEU 857           H        LEU  47  28.884  -5.546  -3.111
  306    HA   LEU 857           HA       LEU  47  27.150  -3.343  -4.038
  307    HB2  LEU 857           HB2      LEU  47  29.596  -2.566  -4.136
  308    HB3  LEU 857           HB3      LEU  47  29.822  -3.783  -5.388
  309    HG   LEU 857           HG       LEU  47  27.895  -2.683  -6.639
  310   HD11  LEU 857          HD11      LEU  47  26.824  -1.390  -4.859
  311   HD12  LEU 857          HD12      LEU  47  27.410  -0.306  -6.119
  312   HD13  LEU 857          HD13      LEU  47  28.319  -0.460  -4.603
  313   HD21  LEU 857          HD21      LEU  47  30.347  -0.968  -6.057
  314   HD22  LEU 857          HD22      LEU  47  29.304  -0.828  -7.488
  315   HD23  LEU 857          HD23      LEU  47  30.264  -2.293  -7.236
  316    H    HIS 858           H        HIS  48  26.069  -5.499  -3.738
  317    HA   HIS 858           HA       HIS  48  26.356  -7.587  -5.738
  318    HB2  HIS 858           HB2      HIS  48  25.545  -7.859  -3.342
  319    HB3  HIS 858           HB3      HIS  48  24.104  -6.985  -3.771
  320    HD2  HIS 858           HD2      HIS  48  22.437  -8.950  -3.293
  321    HE1  HIS 858           HE1      HIS  48  24.040 -11.843  -5.995
  322    HE2  HIS 858           HE2      HIS  48  22.123 -11.330  -4.400
  323    H    GLU 859           H        GLU  49  24.606  -8.395  -6.998
  324    HA   GLU 859           HA       GLU  49  22.925  -6.329  -8.229
  325    HB2  GLU 859           HB2      GLU  49  24.485  -8.361  -9.833
  326    HB3  GLU 859           HB3      GLU  49  23.456  -7.055 -10.350
  327    HG2  GLU 859           HG2      GLU  49  25.214  -5.477  -9.145
  328    HG3  GLU 859           HG3      GLU  49  26.248  -6.895  -9.275
  329    H    THR 860           H        THR  50  20.921  -6.947  -8.089
  330    HA   THR 860           HA       THR  50  19.932  -9.601  -8.685
  331    HB   THR 860           HB       THR  50  20.673 -10.187  -6.503
  332    HG1  THR 860           HG1      THR  50  18.700 -11.055  -6.892
  333   HG21  THR 860          HG21      THR  50  19.132  -7.844  -5.314
  334   HG22  THR 860          HG22      THR  50  20.899  -7.993  -5.408
  335   HG23  THR 860          HG23      THR  50  19.965  -9.128  -4.428
  336    H    ASP 861           H        ASP  51  18.355  -9.198  -9.872
  337    HA   ASP 861           HA       ASP  51  16.595  -8.387 -10.965
  338    HB2  ASP 861           HB2      ASP  51  15.558  -7.836  -8.178
  339    HB3  ASP 861           HB3      ASP  51  14.585  -7.888  -9.647
  340    H    ILE 862           H        ILE  52  17.261  -6.021  -8.491
  341    HA   ILE 862           HA       ILE  52  16.814  -3.683 -10.297
  342    HB   ILE 862           HB       ILE  52  15.657  -4.119  -7.501
  343   HG12  ILE 862          HG12      ILE  52  14.476  -4.146 -10.273
  344   HG13  ILE 862          HG13      ILE  52  14.356  -5.356  -9.017
  345   HG21  ILE 862          HG21      ILE  52  15.911  -1.674  -9.271
  346   HG22  ILE 862          HG22      ILE  52  16.308  -1.861  -7.543
  347   HG23  ILE 862          HG23      ILE  52  14.622  -1.805  -8.058
  348   HD11  ILE 862          HD11      ILE  52  12.868  -2.718  -9.098
  349   HD12  ILE 862          HD12      ILE  52  12.924  -3.787  -7.667
  350   HD13  ILE 862          HD13      ILE  52  12.214  -4.357  -9.191
  351    H    HIS 863           H        HIS  53  18.244  -5.012  -7.322
  352    HA   HIS 863           HA       HIS  53  19.945  -2.678  -6.864
  353    HB2  HIS 863           HB2      HIS  53  19.123  -4.070  -5.047
  354    HB3  HIS 863           HB3      HIS  53  19.867  -5.493  -5.720
  355    HD2  HIS 863           HD2      HIS  53  22.035  -6.136  -4.527
  356    HE1  HIS 863           HE1      HIS  53  23.520  -2.300  -3.487
  357    H    LYS 864           H        LYS  54  22.060  -2.495  -7.631
  358    HA   LYS 864           HA       LYS  54  23.274  -4.439  -9.478
  359    HB2  LYS 864           HB2      LYS  54  22.441  -1.632 -10.329
  360    HB3  LYS 864           HB3      LYS  54  23.381  -2.744 -11.312
  361    HG2  LYS 864           HG2      LYS  54  20.514  -3.054 -10.462
  362    HG3  LYS 864           HG3      LYS  54  21.038  -2.486 -12.036
  363    HD2  LYS 864           HD2      LYS  54  21.918  -4.581 -12.706
  364    HD3  LYS 864           HD3      LYS  54  21.873  -5.252 -11.067
  365    HE2  LYS 864           HE2      LYS  54  19.464  -5.223 -11.009
  366    HE3  LYS 864           HE3      LYS  54  19.367  -4.349 -12.531
  367    HZ1  LYS 864           HZ1      LYS  54  18.968  -6.714 -12.929
  368    HZ2  LYS 864           HZ2      LYS  54  20.420  -7.134 -12.293
  369    HZ3  LYS 864           HZ3      LYS  54  20.336  -6.272 -13.681
  370    H    GLU 865           H        GLU  55  25.414  -3.506 -10.310
  371    HA   GLU 865           HA       GLU  55  26.733  -2.006  -8.214
  372    HB2  GLU 865           HB2      GLU  55  27.710  -2.569 -11.002
  373    HB3  GLU 865           HB3      GLU  55  28.642  -1.753  -9.727
  374    HG2  GLU 865           HG2      GLU  55  28.667  -3.788  -8.398
  375    HG3  GLU 865           HG3      GLU  55  27.549  -4.593  -9.498
  376    H    ASP 866           H        ASP  56  24.499  -0.932 -10.469
  377    HA   ASP 866           HA       ASP  56  25.620   1.666 -11.173
  378    HB2  ASP 866           HB2      ASP  56  22.731   0.734 -10.940
  379    HB3  ASP 866           HB3      ASP  56  23.267   2.241 -11.678
  380    H    HIS 867           H        HIS  57  24.798   0.360  -8.194
  381    HA   HIS 867           HA       HIS  57  23.281   2.322  -6.967
  382    HB2  HIS 867           HB2      HIS  57  24.695  -0.130  -6.209
  383    HB3  HIS 867           HB3      HIS  57  24.900   1.083  -4.973
  384    HD2  HIS 867           HD2      HIS  57  22.227  -0.952  -6.698
  385    HE1  HIS 867           HE1      HIS  57  20.133   1.500  -3.927
  386    H    GLN 868           H        GLN  58  23.685   3.396  -5.110
  387    HA   GLN 868           HA       GLN  58  26.254   4.679  -4.488
  388    HB2  GLN 868           HB2      GLN  58  23.646   6.161  -4.966
  389    HB3  GLN 868           HB3      GLN  58  25.094   6.867  -4.233
  390    HG2  GLN 868           HG2      GLN  58  24.912   5.764  -7.089
  391    HG3  GLN 868           HG3      GLN  58  24.737   7.442  -6.626
  392   HE21  GLN 868          HE21      GLN  58  27.152   4.791  -7.076
  393   HE22  GLN 868          HE22      GLN  58  28.513   5.895  -6.904
  394    H    LEU 869           H        LEU  59  26.314   5.192  -2.166
  395    HA   LEU 869           HA       LEU  59  23.961   4.341  -0.601
  396    HB2  LEU 869           HB2      LEU  59  26.579   2.940  -0.722
  397    HB3  LEU 869           HB3      LEU  59  26.088   3.307   0.881
  398    HG   LEU 869           HG       LEU  59  23.827   2.329  -0.759
  399   HD11  LEU 869          HD11      LEU  59  24.338  -0.010  -0.621
  400   HD12  LEU 869          HD12      LEU  59  26.015   0.372  -0.087
  401   HD13  LEU 869          HD13      LEU  59  25.440   0.831  -1.731
  402   HD21  LEU 869          HD21      LEU  59  23.338   1.090   1.270
  403   HD22  LEU 869          HD22      LEU  59  23.966   2.671   1.783
  404   HD23  LEU 869          HD23      LEU  59  25.013   1.242   1.812
  405    H    GLU 870           H        GLU  60  23.854   4.891   1.514
  406    HA   GLU 870           HA       GLU  60  25.071   7.572   1.999
  407    HB2  GLU 870           HB2      GLU  60  23.016   7.892   0.966
  408    HB3  GLU 870           HB3      GLU  60  22.198   6.687   1.954
  409    HG2  GLU 870           HG2      GLU  60  21.626   9.029   2.501
  410    HG3  GLU 870           HG3      GLU  60  22.199   8.070   3.849
  411    HA   PRO 871           HA       PRO  61  25.627   5.508   6.088
  412    HB2  PRO 871           HB2      PRO  61  27.671   7.068   6.962
  413    HB3  PRO 871           HB3      PRO  61  27.892   5.758   5.782
  414    HG2  PRO 871           HG2      PRO  61  27.608   8.732   5.253
  415    HG3  PRO 871           HG3      PRO  61  28.809   7.593   4.577
  416    HD2  PRO 871           HD2      PRO  61  26.507   8.297   3.227
  417    HD3  PRO 871           HD3      PRO  61  27.250   6.705   3.072
  418    H    ILE 872           H        ILE  62  23.760   6.052   7.039
  419    HA   ILE 872           HA       ILE  62  23.031   8.791   7.774
  420    HB   ILE 872           HB       ILE  62  21.644   6.146   8.320
  421   HG12  ILE 872          HG12      ILE  62  21.132   8.207   6.124
  422   HG13  ILE 872          HG13      ILE  62  21.880   6.626   5.904
  423   HG21  ILE 872          HG21      ILE  62  20.622   9.017   8.533
  424   HG22  ILE 872          HG22      ILE  62  20.986   7.930   9.895
  425   HG23  ILE 872          HG23      ILE  62  19.665   7.546   8.820
  426   HD11  ILE 872          HD11      ILE  62  19.607   6.473   5.180
  427   HD12  ILE 872          HD12      ILE  62  18.998   7.125   6.705
  428   HD13  ILE 872          HD13      ILE  62  19.781   5.526   6.671
  429    H    TYR 873           H        TYR  63  24.049   9.674   9.445
  430    HA   TYR 873           HA       TYR  63  24.840   8.106  11.822
  431    HB2  TYR 873           HB2      TYR  63  25.376  11.009  11.121
  432    HB3  TYR 873           HB3      TYR  63  25.987  10.091  12.502
  433    HD1  TYR 873           HD1      TYR  63  26.230   7.671  10.112
  434    HD2  TYR 873           HD2      TYR  63  27.927  11.513  11.065
  435    HE1  TYR 873           HE1      TYR  63  28.370   6.998   9.025
  436    HE2  TYR 873           HE2      TYR  63  30.025  10.888   9.885
  437    HH   TYR 873           HH       TYR  63  31.151   9.245   8.718
  438    H    ARG 874           H        ARG  64  22.064   8.512  11.450
  439    HA   ARG 874           HA       ARG  64  21.407   9.594  14.060
  440    HB2  ARG 874           HB2      ARG  64  19.759  11.291  13.304
  441    HB3  ARG 874           HB3      ARG  64  21.422  11.693  12.955
  442    HG2  ARG 874           HG2      ARG  64  20.183  12.369  11.089
  443    HG3  ARG 874           HG3      ARG  64  21.067  10.945  10.559
  444    HD2  ARG 874           HD2      ARG  64  19.036   9.582  10.821
  445    HD3  ARG 874           HD3      ARG  64  18.147  10.988  11.432
  446    HE   ARG 874           HE       ARG  64  19.191  11.722   8.922
  447   HH11  ARG 874          HH11      ARG  64  17.991  11.705   7.050
  448   HH12  ARG 874          HH12      ARG  64  16.568  10.709   6.935
  449   HH21  ARG 874          HH21      ARG  64  16.825   9.426  10.109
  450   HH22  ARG 874          HH22      ARG  64  15.915   9.456   8.621
  451    H1   ALA   1           H1       ALA  65  17.463  -3.899   3.302
  452    H2   ALA   1           H2       ALA  65  17.316  -3.707   4.918
  453    H3   ALA   1           H3       ALA  65  16.721  -2.551   3.904
  454    HA   ALA   1           HA       ALA  65  15.084  -4.016   3.046
  455    HB1  ALA   1           HB1      ALA  65  15.983  -6.079   2.949
  456    HB2  ALA   1           HB2      ALA  65  14.842  -6.296   4.271
  457    HB3  ALA   1           HB3      ALA  65  16.574  -6.090   4.642
  458    H    ARG   2           H        ARG  66  13.003  -3.548   3.911
  459    HA   ARG   2           HA       ARG  66  12.955  -2.323   6.586
  460    HB2  ARG   2           HB2      ARG  66  10.867  -2.810   4.436
  461    HB3  ARG   2           HB3      ARG  66  10.452  -2.143   6.025
  462    HG2  ARG   2           HG2      ARG  66  11.932  -0.266   5.740
  463    HG3  ARG   2           HG3      ARG  66  12.553  -0.891   4.223
  464    HD2  ARG   2           HD2      ARG  66   9.762   0.160   4.786
  465    HD3  ARG   2           HD3      ARG  66  10.985   0.889   3.763
  466    HE   ARG   2           HE       ARG  66  10.737  -0.944   2.157
  467   HH11  ARG   2          HH11      ARG  66   9.259  -1.903   0.883
  468   HH12  ARG   2          HH12      ARG  66   7.633  -2.252   1.447
  469   HH21  ARG   2          HH21      ARG  66   8.047  -0.682   4.476
  470   HH22  ARG   2          HH22      ARG  66   6.963  -1.493   3.385
  471    H    THR   3           H        THR  67  11.945  -2.945   8.418
  472    HA   THR   3           HA       THR  67  10.758  -5.673   8.651
  473    HB   THR   3           HB       THR  67  12.009  -6.043  10.752
  474    HG1  THR   3           HG1      THR  67  13.943  -4.771  11.013
  475   HG21  THR   3          HG21      THR  67  13.946  -5.444   8.494
  476   HG22  THR   3          HG22      THR  67  12.916  -6.902   8.541
  477   HG23  THR   3          HG23      THR  67  14.134  -6.637   9.806
  478    H    LYS   4           H        LYS  68   9.652  -5.977  10.800
  479    HA   LYS   4           HA       LYS  68   7.743  -5.550  11.893
  480    HB2  LYS   4           HB2      LYS  68   7.870  -4.093  13.717
  481    HB3  LYS   4           HB3      LYS  68   9.459  -4.792  13.464
  482    HG2  LYS   4           HG2      LYS  68  10.322  -2.707  12.572
  483    HG3  LYS   4           HG3      LYS  68   8.706  -1.994  12.513
  484    HD2  LYS   4           HD2      LYS  68   8.618  -2.315  15.070
  485    HD3  LYS   4           HD3      LYS  68  10.323  -2.755  14.977
  486    HE2  LYS   4           HE2      LYS  68  10.320  -0.462  15.547
  487    HE3  LYS   4           HE3      LYS  68  10.743  -0.504  13.837
  488    HZ1  LYS   4           HZ1      LYS  68   9.066   1.204  14.334
  489    HZ2  LYS   4           HZ2      LYS  68   8.028   0.100  14.937
  490    HZ3  LYS   4           HZ3      LYS  68   8.397   0.095  13.340
  491    H    GLN   5           H        GLN  69   7.493  -4.682   9.247
  492    HA   GLN   5           HA       GLN  69   6.182  -2.086   9.126
  493    HB2  GLN   5           HB2      GLN  69   6.293  -4.350   7.096
  494    HB3  GLN   5           HB3      GLN  69   5.731  -2.712   6.770
  495    HG2  GLN   5           HG2      GLN  69   8.579  -3.461   7.598
  496    HG3  GLN   5           HG3      GLN  69   8.032  -3.115   5.970
  497   HE21  GLN   5          HE21      GLN  69   9.141  -1.644   8.963
  498   HE22  GLN   5          HE22      GLN  69   8.954   0.011   8.390
  499    H    THR   6           H        THR  70   4.065  -1.703   8.342
  500    HA   THR   6           HA       THR  70   1.887  -1.583   8.553
  501    HB   THR   6           HB       THR  70   2.143  -3.387   6.808
  502    HG1  THR   6           HG1      THR  70   0.287  -2.287   6.860
  503   HG21  THR   6          HG21      THR  70   0.860  -5.484   7.281
  504   HG22  THR   6          HG22      THR  70   0.975  -5.143   9.016
  505   HG23  THR   6          HG23      THR  70   2.441  -5.441   8.053
  506    H    ALA   7           H        ALA  71  -0.244  -2.584   9.489
  507    HA   ALA   7           HA       ALA  71   0.022  -2.107  12.331
  508    HB1  ALA   7           HB1      ALA  71  -1.810  -1.182  10.956
  509    HB2  ALA   7           HB2      ALA  71  -2.447  -2.179  12.276
  510    HB3  ALA   7           HB3      ALA  71  -2.402  -2.825  10.622
  511    H    ARG   8           H        ARG  72  -0.940  -3.412  14.030
  512    HA   ARG   8           HA       ARG  72  -0.182  -6.203  14.039
  513    HB2  ARG   8           HB2      ARG  72  -1.965  -4.605  15.936
  514    HB3  ARG   8           HB3      ARG  72  -1.437  -6.268  16.216
  515    HG2  ARG   8           HG2      ARG  72   0.934  -5.550  16.191
  516    HG3  ARG   8           HG3      ARG  72   0.425  -3.868  15.928
  517    HD2  ARG   8           HD2      ARG  72  -0.825  -3.906  18.065
  518    HD3  ARG   8           HD3      ARG  72  -0.302  -5.583  18.340
  519    HE   ARG   8           HE       ARG  72   2.016  -4.000  17.897
  520   HH11  ARG   8          HH11      ARG  72   3.333  -3.300  19.556
  521   HH12  ARG   8          HH12      ARG  72   2.713  -3.204  21.178
  522   HH21  ARG   8          HH21      ARG  72  -0.435  -4.323  20.388
  523   HH22  ARG   8          HH22      ARG  72   0.639  -3.777  21.648
  524    H    LYS   9           H        LYS  73  -1.360  -8.037  13.909
  525    HA   LYS   9           HA       LYS  73  -2.838  -9.503  12.989
  526    HB2  LYS   9           HB2      LYS  73  -4.918  -7.679  14.248
  527    HB3  LYS   9           HB3      LYS  73  -5.155  -9.360  13.756
  528    HG2  LYS   9           HG2      LYS  73  -3.404 -10.081  15.375
  529    HG3  LYS   9           HG3      LYS  73  -3.249  -8.401  15.931
  530    HD2  LYS   9           HD2      LYS  73  -5.644  -8.393  16.586
  531    HD3  LYS   9           HD3      LYS  73  -5.799 -10.076  16.037
  532    HE2  LYS   9           HE2      LYS  73  -4.068 -10.771  17.686
  533    HE3  LYS   9           HE3      LYS  73  -3.914  -9.097  18.231
  534    HZ1  LYS   9           HZ1      LYS  73  -5.405 -10.381  19.674
  535    HZ2  LYS   9           HZ2      LYS  73  -6.402 -10.728  18.434
  536    HZ3  LYS   9           HZ3      LYS  73  -6.251  -9.186  18.954
  537    H    SER  10           H        SER  74  -2.011  -7.373  11.164
  538    HA   SER  10           HA       SER  74  -4.185  -6.680   9.411
  539    HB2  SER  10           HB2      SER  74  -2.041  -5.473   9.406
  540    HB3  SER  10           HB3      SER  74  -1.214  -6.933   8.840
  541    HG   SER  10           HG       SER  74  -3.039  -5.245   7.462
  542    H    THR  11           H        THR  75  -4.939  -7.642   7.529
  543    HA   THR  11           HA       THR  75  -3.883 -10.139   6.488
  544    HB   THR  11           HB       THR  75  -5.191 -10.897   8.477
  545    HG1  THR  11           HG1      THR  75  -5.022 -12.367   6.876
  546   HG21  THR  11          HG21      THR  75  -7.618 -10.878   8.447
  547   HG22  THR  11          HG22      THR  75  -7.645  -9.944   6.938
  548   HG23  THR  11          HG23      THR  75  -7.025  -9.210   8.432
  549    H    GLY  12           H        GLY  76  -5.068 -10.885   4.564
  550    HA2  GLY  12           HA2      GLY  76  -7.076  -9.342   3.220
  551    HA3  GLY  12           HA3      GLY  76  -5.479  -8.860   2.644
  Start of MODEL   15
    1    H1   GLY 811           H1       GLY   1  24.843   6.821  22.929
    2    H2   GLY 811           H2       GLY   1  26.217   7.364  23.635
    3    H3   GLY 811           H3       GLY   1  26.300   6.466  22.269
    4    HA2  GLY 811           HA2      GLY   1  25.132   9.182  22.472
    5    HA3  GLY 811           HA3      GLY   1  26.711   8.803  21.767
    6    HA   PRO 812           HA       PRO   2  24.020   8.239  18.095
    7    HB2  PRO 812           HB2      PRO   2  25.527  10.103  16.548
    8    HB3  PRO 812           HB3      PRO   2  23.935  10.353  17.278
    9    HG2  PRO 812           HG2      PRO   2  26.231  11.714  18.039
   10    HG3  PRO 812           HG3      PRO   2  24.722  11.582  18.978
   11    HD2  PRO 812           HD2      PRO   2  27.238   9.918  19.269
   12    HD3  PRO 812           HD3      PRO   2  26.177  10.624  20.527
   13    H    LEU 813           H        LEU   3  27.432   9.011  17.276
   14    HA   LEU 813           HA       LEU   3  27.318   6.997  15.328
   15    HB2  LEU 813           HB2      LEU   3  28.693   9.036  15.126
   16    HB3  LEU 813           HB3      LEU   3  29.671   8.549  16.508
   17    HG   LEU 813           HG       LEU   3  30.560   6.651  15.191
   18   HD11  LEU 813          HD11      LEU   3  28.994   7.900  12.890
   19   HD12  LEU 813          HD12      LEU   3  28.695   6.305  13.611
   20   HD13  LEU 813          HD13      LEU   3  30.201   6.607  12.734
   21   HD21  LEU 813          HD21      LEU   3  31.752   8.772  15.269
   22   HD22  LEU 813          HD22      LEU   3  30.865   9.344  13.831
   23   HD23  LEU 813          HD23      LEU   3  31.978   7.954  13.717
   24    H    GLY 814           H        GLY   4  27.812   4.831  15.329
   25    HA2  GLY 814           HA2      GLY   4  28.542   2.755  16.119
   26    HA3  GLY 814           HA3      GLY   4  29.455   3.550  17.411
   27    H    SER 815           H        SER   5  26.281   4.735  17.549
   28    HA   SER 815           HA       SER   5  25.162   2.327  18.912
   29    HB2  SER 815           HB2      SER   5  24.485   5.152  19.723
   30    HB3  SER 815           HB3      SER   5  24.146   3.670  20.620
   31    HG   SER 815           HG       SER   5  26.372   3.482  21.088
   32    H    VAL 816           H        VAL   6  24.606   4.747  16.579
   33    HA   VAL 816           HA       VAL   6  21.853   5.022  16.625
   34    HB   VAL 816           HB       VAL   6  24.094   5.490  14.783
   35   HG11  VAL 816          HG11      VAL   6  22.704   4.515  13.119
   36   HG12  VAL 816          HG12      VAL   6  22.660   6.289  12.966
   37   HG13  VAL 816          HG13      VAL   6  21.280   5.426  13.710
   38   HG21  VAL 816          HG21      VAL   6  23.230   7.646  14.938
   39   HG22  VAL 816          HG22      VAL   6  23.066   6.948  16.540
   40   HG23  VAL 816          HG23      VAL   6  21.622   7.066  15.489
   41    H    GLN 817           H        GLN   7  20.264   3.777  16.297
   42    HA   GLN 817           HA       GLN   7  20.667   1.111  15.018
   43    HB2  GLN 817           HB2      GLN   7  19.184   0.265  16.887
   44    HB3  GLN 817           HB3      GLN   7  20.878   0.627  17.259
   45    HG2  GLN 817           HG2      GLN   7  20.327   2.749  18.297
   46    HG3  GLN 817           HG3      GLN   7  18.661   2.623  17.877
   47   HE21  GLN 817          HE21      GLN   7  19.292   3.166  20.436
   48   HE22  GLN 817          HE22      GLN   7  19.242   1.765  21.488
   49    H    HIS 818           H        HIS   8  19.663   1.285  13.219
   50    HA   HIS 818           HA       HIS   8  17.115   2.700  12.980
   51    HB2  HIS 818           HB2      HIS   8  19.004   1.298  11.088
   52    HB3  HIS 818           HB3      HIS   8  17.375   1.756  10.578
   53    HD2  HIS 818           HD2      HIS   8  20.367   3.646  12.252
   54    HE1  HIS 818           HE1      HIS   8  17.896   6.501  10.275
   55    HE2  HIS 818           HE2      HIS   8  19.947   6.217  11.701
   56    H    VAL 819           H        VAL   9  16.369   1.200  14.736
   57    HA   VAL 819           HA       VAL   9  15.356  -1.409  14.407
   58    HB   VAL 819           HB       VAL   9  14.363   0.937  15.993
   59   HG11  VAL 819          HG11      VAL   9  13.200  -0.753  17.375
   60   HG12  VAL 819          HG12      VAL   9  13.640  -2.019  16.207
   61   HG13  VAL 819          HG13      VAL   9  12.519  -0.707  15.743
   62   HG21  VAL 819          HG21      VAL   9  16.623   0.179  16.600
   63   HG22  VAL 819          HG22      VAL   9  16.040  -1.494  16.730
   64   HG23  VAL 819          HG23      VAL   9  15.460  -0.251  17.851
   65    H    GLY 820           H        GLY  10  14.485  -2.069  12.577
   66    HA2  GLY 820           HA2      GLY  10  12.389  -2.243  11.297
   67    HA3  GLY 820           HA3      GLY  10  12.322  -0.516  11.222
   68    H    PHE 821           H        PHE  11  15.603  -1.432  10.717
   69    HA   PHE 821           HA       PHE  11  15.215  -1.774   7.769
   70    HB2  PHE 821           HB2      PHE  11  17.032   0.292   9.019
   71    HB3  PHE 821           HB3      PHE  11  16.918  -0.080   7.316
   72    HD1  PHE 821           HD1      PHE  11  15.190   1.542  10.177
   73    HD2  PHE 821           HD2      PHE  11  15.055   0.705   5.950
   74    HE1  PHE 821           HE1      PHE  11  13.457   3.290   9.892
   75    HE2  PHE 821           HE2      PHE  11  13.303   2.458   5.670
   76    HZ   PHE 821           HZ       PHE  11  12.502   3.746   7.640
   77    H    LYS 822           H        LYS  12  16.056  -3.703   7.502
   78    HA   LYS 822           HA       LYS  12  18.210  -4.790   9.077
   79    HB2  LYS 822           HB2      LYS  12  16.207  -6.086   8.447
   80    HB3  LYS 822           HB3      LYS  12  16.561  -5.821   6.759
   81    HG2  LYS 822           HG2      LYS  12  18.731  -7.166   7.123
   82    HG3  LYS 822           HG3      LYS  12  18.134  -7.651   8.656
   83    HD2  LYS 822           HD2      LYS  12  16.535  -7.964   6.142
   84    HD3  LYS 822           HD3      LYS  12  17.740  -9.169   6.599
   85    HE2  LYS 822           HE2      LYS  12  16.552  -9.458   8.737
   86    HE3  LYS 822           HE3      LYS  12  15.261  -8.367   8.211
   87    HZ1  LYS 822           HZ1      LYS  12  14.635 -10.686   7.789
   88    HZ2  LYS 822           HZ2      LYS  12  15.966 -10.968   6.893
   89    HZ3  LYS 822           HZ3      LYS  12  14.812  -9.945   6.348
   90    H    CYS 823           H        CYS  13  20.241  -5.467   8.371
   91    HA   CYS 823           HA       CYS  13  21.431  -4.347   5.927
   92    HB2  CYS 823           HB2      CYS  13  22.863  -4.605   7.908
   93    HB3  CYS 823           HB3      CYS  13  22.458  -6.318   8.001
   94    H    ASP 824           H        ASP  14  20.775  -5.323   3.963
   95    HA   ASP 824           HA       ASP  14  19.638  -7.944   3.793
   96    HB2  ASP 824           HB2      ASP  14  20.997  -6.235   1.700
   97    HB3  ASP 824           HB3      ASP  14  20.104  -7.696   1.328
   98    H    ASN 825           H        ASN  15  23.005  -7.124   4.056
   99    HA   ASN 825           HA       ASN  15  23.978  -9.398   2.475
  100    HB2  ASN 825           HB2      ASN  15  25.229  -7.229   2.560
  101    HB3  ASN 825           HB3      ASN  15  25.476  -7.480   4.280
  102   HD21  ASN 825          HD21      ASN  15  27.557  -8.050   4.614
  103   HD22  ASN 825          HD22      ASN  15  28.413  -9.273   3.663
  104    H    CYS 826           H        CYS  16  24.203  -8.520   5.982
  105    HA   CYS 826           HA       CYS  16  24.744 -11.358   6.644
  106    HB2  CYS 826           HB2      CYS  16  25.697 -10.526   8.678
  107    HB3  CYS 826           HB3      CYS  16  26.421  -9.709   7.299
  108    H    GLY 827           H        GLY  17  22.163  -9.114   6.720
  109    HA2  GLY 827           HA2      GLY  17  20.001  -9.456   7.238
  110    HA3  GLY 827           HA3      GLY  17  20.346 -11.034   7.843
  111    H    ILE 828           H        ILE  18  22.116  -8.361   9.411
  112    HA   ILE 828           HA       ILE  18  20.654  -8.677  11.889
  113    HB   ILE 828           HB       ILE  18  22.823  -7.892  12.157
  114   HG12  ILE 828          HG12      ILE  18  21.265  -5.325  12.573
  115   HG13  ILE 828          HG13      ILE  18  20.793  -6.777  13.431
  116   HG21  ILE 828          HG21      ILE  18  23.244  -6.798   9.950
  117   HG22  ILE 828          HG22      ILE  18  23.812  -5.837  11.294
  118   HG23  ILE 828          HG23      ILE  18  22.296  -5.400  10.459
  119   HD11  ILE 828          HD11      ILE  18  23.045  -6.973  14.421
  120   HD12  ILE 828          HD12      ILE  18  22.250  -5.441  14.827
  121   HD13  ILE 828          HD13      ILE  18  23.532  -5.466  13.599
  122    H    GLU 829           H        GLU  19  18.599  -8.293  12.001
  123    HA   GLU 829           HA       GLU  19  17.193  -6.793  10.183
  124    HB2  GLU 829           HB2      GLU  19  15.649  -7.286  12.608
  125    HB3  GLU 829           HB3      GLU  19  15.266  -7.518  10.931
  126    HG2  GLU 829           HG2      GLU  19  15.291  -9.679  11.749
  127    HG3  GLU 829           HG3      GLU  19  16.855  -9.551  10.969
  128    HA   PRO 830           HA       PRO  20  17.562  -2.907  11.439
  129    HB2  PRO 830           HB2      PRO  20  17.417  -1.874  13.783
  130    HB3  PRO 830           HB3      PRO  20  16.085  -2.966  13.208
  131    HG2  PRO 830           HG2      PRO  20  18.370  -3.571  15.043
  132    HG3  PRO 830           HG3      PRO  20  16.657  -4.009  15.232
  133    HD2  PRO 830           HD2      PRO  20  18.760  -5.587  14.089
  134    HD3  PRO 830           HD3      PRO  20  17.019  -5.910  13.890
  135    H    ILE 831           H        ILE  21  19.279  -1.810  10.750
  136    HA   ILE 831           HA       ILE  21  21.895  -2.632  11.551
  137    HB   ILE 831           HB       ILE  21  20.951  -0.294   9.885
  138   HG12  ILE 831          HG12      ILE  21  22.479  -2.613   8.750
  139   HG13  ILE 831          HG13      ILE  21  20.858  -3.027   9.317
  140   HG21  ILE 831          HG21      ILE  21  23.365  -0.301   9.105
  141   HG22  ILE 831          HG22      ILE  21  23.756  -1.350  10.475
  142   HG23  ILE 831          HG23      ILE  21  23.126   0.279  10.752
  143   HD11  ILE 831          HD11      ILE  21  21.026  -2.315   6.891
  144   HD12  ILE 831          HD12      ILE  21  21.417  -0.679   7.452
  145   HD13  ILE 831          HD13      ILE  21  19.852  -1.378   7.837
  146    H    GLN 832           H        GLN  22  22.771  -2.281  13.440
  147    HA   GLN 832           HA       GLN  22  22.510   0.253  14.855
  148    HB2  GLN 832           HB2      GLN  22  23.999  -2.228  15.702
  149    HB3  GLN 832           HB3      GLN  22  23.616  -0.802  16.675
  150    HG2  GLN 832           HG2      GLN  22  21.073  -1.562  15.703
  151    HG3  GLN 832           HG3      GLN  22  21.880  -3.111  15.796
  152   HE21  GLN 832          HE21      GLN  22  19.540  -2.121  17.342
  153   HE22  GLN 832          HE22      GLN  22  20.057  -2.116  19.017
  154    H    GLY 833           H        GLY  23  24.200   1.495  15.577
  155    HA2  GLY 833           HA2      GLY  23  26.309   2.496  15.630
  156    HA3  GLY 833           HA3      GLY  23  26.897   1.504  14.358
  157    H    VAL 834           H        VAL  24  25.793   1.860  12.207
  158    HA   VAL 834           HA       VAL  24  24.602   4.489  11.713
  159    HB   VAL 834           HB       VAL  24  26.002   4.979   9.808
  160   HG11  VAL 834          HG11      VAL  24  26.555   6.009  11.949
  161   HG12  VAL 834          HG12      VAL  24  27.983   5.787  10.918
  162   HG13  VAL 834          HG13      VAL  24  27.724   4.692  12.270
  163   HG21  VAL 834          HG21      VAL  24  26.916   2.924   9.044
  164   HG22  VAL 834          HG22      VAL  24  27.776   2.690  10.600
  165   HG23  VAL 834          HG23      VAL  24  28.245   3.987   9.475
  166    H    ARG 835           H        ARG  25  22.997   4.269  10.209
  167    HA   ARG 835           HA       ARG  25  22.699   1.674   8.781
  168    HB2  ARG 835           HB2      ARG  25  20.696   2.539   9.614
  169    HB3  ARG 835           HB3      ARG  25  20.961   4.136   8.925
  170    HG2  ARG 835           HG2      ARG  25  20.684   3.183   6.634
  171    HG3  ARG 835           HG3      ARG  25  20.379   1.581   7.347
  172    HD2  ARG 835           HD2      ARG  25  18.381   2.403   8.459
  173    HD3  ARG 835           HD3      ARG  25  18.773   4.075   8.010
  174    HE   ARG 835           HE       ARG  25  18.368   2.140   5.785
  175   HH11  ARG 835          HH11      ARG  25  17.071   2.536   4.311
  176   HH12  ARG 835          HH12      ARG  25  15.837   3.799   4.413
  177   HH21  ARG 835          HH21      ARG  25  16.728   4.572   7.705
  178   HH22  ARG 835          HH22      ARG  25  15.621   4.922   6.409
  179    H    TRP 836           H        TRP  26  23.518   1.178   6.826
  180    HA   TRP 836           HA       TRP  26  24.346   3.376   4.973
  181    HB2  TRP 836           HB2      TRP  26  25.104   0.502   5.360
  182    HB3  TRP 836           HB3      TRP  26  25.156   1.092   3.794
  183    HD1  TRP 836           HD1      TRP  26  27.026   0.803   6.892
  184    HE1  TRP 836           HE1      TRP  26  29.396   1.798   6.627
  185    HE3  TRP 836           HE3      TRP  26  26.193   3.718   2.796
  186    HZ2  TRP 836           HZ2      TRP  26  30.695   3.728   4.929
  187    HZ3  TRP 836           HZ3      TRP  26  28.038   5.088   1.817
  188    HH2  TRP 836           HH2      TRP  26  30.276   5.119   2.892
  189    H    HIS 837           H        HIS  27  22.403   4.072   4.056
  190    HA   HIS 837           HA       HIS  27  20.280   2.180   3.228
  191    HB2  HIS 837           HB2      HIS  27  19.654   4.341   4.139
  192    HB3  HIS 837           HB3      HIS  27  20.704   5.173   3.002
  193    HD2  HIS 837           HD2      HIS  27  19.214   6.484   1.395
  194    HE1  HIS 837           HE1      HIS  27  16.208   3.562   0.594
  195    HE2  HIS 837           HE2      HIS  27  17.016   5.915   0.049
  196    H    CYS 838           H        CYS  28  19.926   1.356   1.121
  197    HA   CYS 838           HA       CYS  28  21.827   2.087  -1.006
  198    HB2  CYS 838           HB2      CYS  28  19.590   0.108  -0.648
  199    HB3  CYS 838           HB3      CYS  28  20.056   0.569  -2.240
  200    H    GLN 839           H        GLN  29  21.492   4.146  -1.472
  201    HA   GLN 839           HA       GLN  29  19.245   5.789  -1.447
  202    HB2  GLN 839           HB2      GLN  29  21.830   5.785  -3.045
  203    HB3  GLN 839           HB3      GLN  29  20.698   7.069  -3.248
  204    HG2  GLN 839           HG2      GLN  29  20.866   7.241  -0.576
  205    HG3  GLN 839           HG3      GLN  29  22.384   6.387  -0.860
  206   HE21  GLN 839          HE21      GLN  29  22.472  10.312  -1.274
  207   HE22  GLN 839          HE22      GLN  29  21.472   9.359  -0.164
  208    H    ASP 840           H        ASP  30  19.801   3.344  -3.879
  209    HA   ASP 840           HA       ASP  30  17.955   4.726  -5.787
  210    HB2  ASP 840           HB2      ASP  30  20.724   3.668  -6.188
  211    HB3  ASP 840           HB3      ASP  30  19.592   3.482  -7.521
  212    H    CYS 841           H        CYS  31  18.531   1.782  -4.038
  213    HA   CYS 841           HA       CYS  31  17.016   0.146  -5.864
  214    HB2  CYS 841           HB2      CYS  31  17.211  -0.486  -2.961
  215    HB3  CYS 841           HB3      CYS  31  17.081  -1.509  -4.213
  216    HA   PRO 842           HA       PRO  32  13.171   2.120  -4.914
  217    HB2  PRO 842           HB2      PRO  32  11.394   0.321  -5.961
  218    HB3  PRO 842           HB3      PRO  32  12.678   1.050  -6.974
  219    HG2  PRO 842           HG2      PRO  32  12.752  -1.596  -5.465
  220    HG3  PRO 842           HG3      PRO  32  13.041  -1.333  -7.199
  221    HD2  PRO 842           HD2      PRO  32  15.114  -1.432  -5.492
  222    HD3  PRO 842           HD3      PRO  32  15.097  -0.281  -6.858
  223    HA   PRO 843           HA       PRO  33  11.202   0.984  -1.089
  224    HB2  PRO 843           HB2      PRO  33   8.505   0.557  -2.282
  225    HB3  PRO 843           HB3      PRO  33   9.011   1.687  -0.999
  226    HG2  PRO 843           HG2      PRO  33   8.439   2.334  -3.630
  227    HG3  PRO 843           HG3      PRO  33   9.483   3.340  -2.557
  228    HD2  PRO 843           HD2      PRO  33  10.222   1.625  -4.843
  229    HD3  PRO 843           HD3      PRO  33  11.153   2.934  -4.062
  230    H    GLU 844           H        GLU  34  10.653  -1.251  -3.801
  231    HA   GLU 844           HA       GLU  34   9.231  -3.250  -2.257
  232    HB2  GLU 844           HB2      GLU  34  10.598  -3.140  -4.992
  233    HB3  GLU 844           HB3      GLU  34   9.824  -4.597  -4.435
  234    HG2  GLU 844           HG2      GLU  34   8.500  -1.876  -4.852
  235    HG3  GLU 844           HG3      GLU  34   8.408  -3.263  -5.923
  236    H    MET 845           H        MET  35  12.462  -2.512  -3.211
  237    HA   MET 845           HA       MET  35  13.771  -4.893  -2.067
  238    HB2  MET 845           HB2      MET  35  13.426  -4.918  -4.487
  239    HB3  MET 845           HB3      MET  35  14.013  -3.285  -4.635
  240    HG2  MET 845           HG2      MET  35  15.628  -4.955  -5.329
  241    HG3  MET 845           HG3      MET  35  16.267  -4.034  -4.034
  242    HE1  MET 845           HE1      MET  35  13.737  -7.182  -3.924
  243    HE2  MET 845           HE2      MET  35  14.930  -8.489  -3.791
  244    HE3  MET 845           HE3      MET  35  14.881  -7.482  -5.253
  245    H    SER 846           H        SER  36  13.177  -2.636  -0.639
  246    HA   SER 846           HA       SER  36  15.150  -0.549  -1.056
  247    HB2  SER 846           HB2      SER  36  14.111   0.494   0.943
  248    HB3  SER 846           HB3      SER  36  13.075   0.076  -0.449
  249    HG   SER 846           HG       SER  36  11.956  -1.261   0.804
  250    H    LEU 847           H        LEU  37  16.941  -1.799  -1.061
  251    HA   LEU 847           HA       LEU  37  17.841  -3.319   1.042
  252    HB2  LEU 847           HB2      LEU  37  19.224  -2.029  -1.266
  253    HB3  LEU 847           HB3      LEU  37  20.184  -2.550   0.090
  254    HG   LEU 847           HG       LEU  37  18.587  -4.762  -0.311
  255   HD11  LEU 847          HD11      LEU  37  17.738  -4.001  -2.341
  256   HD12  LEU 847          HD12      LEU  37  18.859  -5.337  -2.622
  257   HD13  LEU 847          HD13      LEU  37  19.382  -3.659  -2.955
  258   HD21  LEU 847          HD21      LEU  37  20.713  -5.746  -1.148
  259   HD22  LEU 847          HD22      LEU  37  20.977  -4.687   0.267
  260   HD23  LEU 847          HD23      LEU  37  21.338  -4.086  -1.327
  261    H    ASP 848           H        ASP  38  19.420  -3.030   2.537
  262    HA   ASP 848           HA       ASP  38  20.619  -0.464   3.102
  263    HB2  ASP 848           HB2      ASP  38  19.252  -1.845   5.412
  264    HB3  ASP 848           HB3      ASP  38  20.122  -0.316   5.415
  265    H    PHE 849           H        PHE  39  22.475  -0.750   4.500
  266    HA   PHE 849           HA       PHE  39  23.344  -3.505   5.017
  267    HB2  PHE 849           HB2      PHE  39  24.979  -1.384   3.640
  268    HB3  PHE 849           HB3      PHE  39  25.633  -2.861   4.317
  269    HD1  PHE 849           HD1      PHE  39  23.742  -4.965   3.454
  270    HD2  PHE 849           HD2      PHE  39  25.205  -1.531   1.299
  271    HE1  PHE 849           HE1      PHE  39  23.393  -6.164   1.305
  272    HE2  PHE 849           HE2      PHE  39  24.878  -2.751  -0.843
  273    HZ   PHE 849           HZ       PHE  39  24.012  -5.091  -0.821
  274    H    CYS 850           H        CYS  40  24.983  -3.693   6.626
  275    HA   CYS 850           HA       CYS  40  25.057  -1.394   8.486
  276    HB2  CYS 850           HB2      CYS  40  25.862  -2.976  10.175
  277    HB3  CYS 850           HB3      CYS  40  24.342  -3.512   9.470
  278    H    ASP 851           H        ASP  41  27.245  -0.880   9.537
  279    HA   ASP 851           HA       ASP  41  28.978  -0.214   7.337
  280    HB2  ASP 851           HB2      ASP  41  28.666   1.221   9.204
  281    HB3  ASP 851           HB3      ASP  41  29.439   0.126  10.324
  282    H    SER 852           H        SER  42  28.884  -3.024   9.286
  283    HA   SER 852           HA       SER  42  31.514  -4.124   8.697
  284    HB2  SER 852           HB2      SER  42  28.785  -5.379   9.153
  285    HB3  SER 852           HB3      SER  42  30.238  -6.301   9.146
  286    HG   SER 852           HG       SER  42  30.946  -5.155  11.036
  287    H    CYS 853           H        CYS  43  28.568  -3.670   6.852
  288    HA   CYS 853           HA       CYS  43  29.299  -5.796   4.938
  289    HB2  CYS 853           HB2      CYS  43  26.671  -4.812   6.040
  290    HB3  CYS 853           HB3      CYS  43  26.751  -5.724   4.535
  291    H    SER 854           H        SER  44  28.552  -2.269   4.922
  292    HA   SER 854           HA       SER  44  27.310  -2.327   2.373
  293    HB2  SER 854           HB2      SER  44  27.212  -0.513   4.133
  294    HB3  SER 854           HB3      SER  44  28.728   0.100   3.424
  295    HG   SER 854           HG       SER  44  27.696   0.445   1.498
  296    H    ASP 855           H        ASP  45  30.699  -2.584   2.921
  297    HA   ASP 855           HA       ASP  45  31.671  -1.607   0.398
  298    HB2  ASP 855           HB2      ASP  45  32.721  -3.820   2.209
  299    HB3  ASP 855           HB3      ASP  45  33.615  -3.088   0.881
  300    H    CYS 856           H        CYS  46  29.618  -4.243   1.009
  301    HA   CYS 856           HA       CYS  46  30.610  -6.258  -0.698
  302    HB2  CYS 856           HB2      CYS  46  28.871  -6.459   1.102
  303    HB3  CYS 856           HB3      CYS  46  27.714  -5.614   0.070
  304    HG   CYS 856           HG       CYS  46  29.259  -8.526  -0.422
  305    H    LEU 857           H        LEU  47  28.498  -3.563  -1.554
  306    HA   LEU 857           HA       LEU  47  27.632  -2.834  -3.598
  307    HB2  LEU 857           HB2      LEU  47  30.240  -2.653  -3.621
  308    HB3  LEU 857           HB3      LEU  47  30.141  -3.949  -4.798
  309    HG   LEU 857           HG       LEU  47  28.338  -2.421  -5.981
  310   HD11  LEU 857          HD11      LEU  47  28.139  -0.737  -4.196
  311   HD12  LEU 857          HD12      LEU  47  28.717  -0.016  -5.701
  312   HD13  LEU 857          HD13      LEU  47  29.860  -0.329  -4.380
  313   HD21  LEU 857          HD21      LEU  47  31.295  -1.636  -5.982
  314   HD22  LEU 857          HD22      LEU  47  30.116  -1.261  -7.260
  315   HD23  LEU 857          HD23      LEU  47  30.571  -2.942  -6.940
  316    H    HIS 858           H        HIS  48  26.388  -5.040  -2.929
  317    HA   HIS 858           HA       HIS  48  26.401  -7.200  -4.850
  318    HB2  HIS 858           HB2      HIS  48  25.690  -7.305  -2.404
  319    HB3  HIS 858           HB3      HIS  48  24.239  -6.419  -2.857
  320    HD2  HIS 858           HD2      HIS  48  22.263  -8.074  -2.916
  321    HE1  HIS 858           HE1      HIS  48  24.185 -11.477  -4.631
  322    HE2  HIS 858           HE2      HIS  48  21.982 -10.570  -3.737
  323    H    GLU 859           H        GLU  49  24.555  -8.008  -5.946
  324    HA   GLU 859           HA       GLU  49  22.844  -6.002  -7.195
  325    HB2  GLU 859           HB2      GLU  49  24.474  -8.023  -8.786
  326    HB3  GLU 859           HB3      GLU  49  23.318  -6.851  -9.347
  327    HG2  GLU 859           HG2      GLU  49  24.935  -5.041  -8.414
  328    HG3  GLU 859           HG3      GLU  49  26.112  -6.353  -8.357
  329    H    THR 860           H        THR  50  20.874  -6.742  -7.626
  330    HA   THR 860           HA       THR  50  20.289  -9.687  -7.736
  331    HB   THR 860           HB       THR  50  18.202  -9.393  -6.658
  332    HG1  THR 860           HG1      THR  50  17.506  -7.398  -5.896
  333   HG21  THR 860          HG21      THR  50  20.060  -9.690  -5.081
  334   HG22  THR 860          HG22      THR  50  18.766  -8.697  -4.384
  335   HG23  THR 860          HG23      THR  50  20.264  -7.938  -4.944
  336    H    ASP 861           H        ASP  51  17.521  -9.273  -8.580
  337    HA   ASP 861           HA       ASP  51  17.820  -8.606 -11.374
  338    HB2  ASP 861           HB2      ASP  51  15.345  -8.737  -9.610
  339    HB3  ASP 861           HB3      ASP  51  15.330  -8.628 -11.370
  340    H    ILE 862           H        ILE  52  17.325  -6.660  -8.548
  341    HA   ILE 862           HA       ILE  52  16.756  -4.175 -10.129
  342    HB   ILE 862           HB       ILE  52  15.728  -5.133  -7.429
  343   HG12  ILE 862          HG12      ILE  52  14.490  -4.738 -10.147
  344   HG13  ILE 862          HG13      ILE  52  14.513  -6.179  -9.154
  345   HG21  ILE 862          HG21      ILE  52  14.538  -2.963  -7.328
  346   HG22  ILE 862          HG22      ILE  52  15.466  -2.407  -8.761
  347   HG23  ILE 862          HG23      ILE  52  16.266  -2.751  -7.216
  348   HD11  ILE 862          HD11      ILE  52  12.816  -3.708  -8.667
  349   HD12  ILE 862          HD12      ILE  52  12.984  -5.053  -7.505
  350   HD13  ILE 862          HD13      ILE  52  12.278  -5.336  -9.107
  351    H    HIS 863           H        HIS  53  18.342  -5.506  -7.184
  352    HA   HIS 863           HA       HIS  53  19.802  -3.063  -6.523
  353    HB2  HIS 863           HB2      HIS  53  19.192  -4.789  -4.968
  354    HB3  HIS 863           HB3      HIS  53  20.279  -5.907  -5.745
  355    HD2  HIS 863           HD2      HIS  53  21.198  -2.196  -5.477
  356    HE1  HIS 863           HE1      HIS  53  23.487  -4.133  -2.579
  357    H    LYS 864           H        LYS  54  21.793  -2.461  -7.306
  358    HA   LYS 864           HA       LYS  54  23.206  -4.029  -9.363
  359    HB2  LYS 864           HB2      LYS  54  21.936  -1.298  -9.857
  360    HB3  LYS 864           HB3      LYS  54  23.093  -2.041 -10.930
  361    HG2  LYS 864           HG2      LYS  54  20.362  -3.046 -10.259
  362    HG3  LYS 864           HG3      LYS  54  20.777  -2.231 -11.749
  363    HD2  LYS 864           HD2      LYS  54  21.961  -4.052 -12.630
  364    HD3  LYS 864           HD3      LYS  54  22.216  -4.821 -11.055
  365    HE2  LYS 864           HE2      LYS  54  19.853  -5.352 -10.833
  366    HE3  LYS 864           HE3      LYS  54  19.484  -4.547 -12.359
  367    HZ1  LYS 864           HZ1      LYS  54  19.691  -6.907 -12.752
  368    HZ2  LYS 864           HZ2      LYS  54  21.146  -6.994 -12.019
  369    HZ3  LYS 864           HZ3      LYS  54  20.991  -6.210 -13.458
  370    H    GLU 865           H        GLU  55  25.269  -3.240  -9.828
  371    HA   GLU 865           HA       GLU  55  26.489  -1.535  -7.825
  372    HB2  GLU 865           HB2      GLU  55  27.511  -2.270 -10.586
  373    HB3  GLU 865           HB3      GLU  55  28.448  -1.450  -9.332
  374    HG2  GLU 865           HG2      GLU  55  28.256  -3.447  -7.894
  375    HG3  GLU 865           HG3      GLU  55  27.308  -4.262  -9.123
  376    H    ASP 866           H        ASP  56  24.361  -0.803 -10.389
  377    HA   ASP 866           HA       ASP  56  25.450   1.815 -11.185
  378    HB2  ASP 866           HB2      ASP  56  22.743   0.522 -11.686
  379    HB3  ASP 866           HB3      ASP  56  23.349   1.980 -12.461
  380    H    HIS 867           H        HIS  57  23.843   0.727  -8.429
  381    HA   HIS 867           HA       HIS  57  22.119   3.002  -7.941
  382    HB2  HIS 867           HB2      HIS  57  21.275   1.633  -6.294
  383    HB3  HIS 867           HB3      HIS  57  21.952   0.428  -7.317
  384    HD2  HIS 867           HD2      HIS  57  25.050   0.695  -6.486
  385    HE1  HIS 867           HE1      HIS  57  23.702  -0.661  -2.749
  386    H    GLN 868           H        GLN  58  22.528   3.626  -5.287
  387    HA   GLN 868           HA       GLN  58  25.362   4.312  -4.807
  388    HB2  GLN 868           HB2      GLN  58  23.094   6.309  -4.739
  389    HB3  GLN 868           HB3      GLN  58  24.652   6.576  -3.955
  390    HG2  GLN 868           HG2      GLN  58  24.294   6.108  -6.952
  391    HG3  GLN 868           HG3      GLN  58  24.361   7.683  -6.175
  392   HE21  GLN 868          HE21      GLN  58  26.297   4.790  -6.978
  393   HE22  GLN 868          HE22      GLN  58  27.849   5.601  -6.720
  394    H    LEU 869           H        LEU  59  25.932   4.617  -2.558
  395    HA   LEU 869           HA       LEU  59  23.925   3.603  -0.610
  396    HB2  LEU 869           HB2      LEU  59  26.937   3.731  -0.289
  397    HB3  LEU 869           HB3      LEU  59  25.768   3.010   0.785
  398    HG   LEU 869           HG       LEU  59  27.047   1.384  -0.318
  399   HD11  LEU 869          HD11      LEU  59  24.153   1.276  -1.255
  400   HD12  LEU 869          HD12      LEU  59  24.779   0.798   0.349
  401   HD13  LEU 869          HD13      LEU  59  25.253  -0.107  -1.091
  402   HD21  LEU 869          HD21      LEU  59  25.910   2.021  -3.018
  403   HD22  LEU 869          HD22      LEU  59  27.089   0.791  -2.569
  404   HD23  LEU 869          HD23      LEU  59  27.535   2.501  -2.454
  405    H    GLU 870           H        GLU  60  23.775   4.636   1.448
  406    HA   GLU 870           HA       GLU  60  25.033   7.336   1.761
  407    HB2  GLU 870           HB2      GLU  60  23.001   7.848   0.895
  408    HB3  GLU 870           HB3      GLU  60  22.114   6.606   1.792
  409    HG2  GLU 870           HG2      GLU  60  22.240   7.880   3.816
  410    HG3  GLU 870           HG3      GLU  60  23.452   8.966   3.119
  411    HA   PRO 871           HA       PRO  61  25.568   5.505   5.960
  412    HB2  PRO 871           HB2      PRO  61  27.485   7.168   6.845
  413    HB3  PRO 871           HB3      PRO  61  27.826   5.850   5.685
  414    HG2  PRO 871           HG2      PRO  61  27.484   8.803   5.148
  415    HG3  PRO 871           HG3      PRO  61  28.678   7.667   4.449
  416    HD2  PRO 871           HD2      PRO  61  26.274   8.454   3.244
  417    HD3  PRO 871           HD3      PRO  61  27.151   6.954   2.843
  418    H    ILE 872           H        ILE  62  24.146   5.939   7.460
  419    HA   ILE 872           HA       ILE  62  23.229   8.726   7.997
  420    HB   ILE 872           HB       ILE  62  21.794   6.078   8.291
  421   HG12  ILE 872          HG12      ILE  62  21.352   8.363   6.311
  422   HG13  ILE 872          HG13      ILE  62  22.087   6.802   5.936
  423   HG21  ILE 872          HG21      ILE  62  21.138   7.694  10.027
  424   HG22  ILE 872          HG22      ILE  62  19.823   7.454   8.893
  425   HG23  ILE 872          HG23      ILE  62  20.820   8.926   8.789
  426   HD11  ILE 872          HD11      ILE  62  19.194   7.229   6.742
  427   HD12  ILE 872          HD12      ILE  62  19.977   5.645   6.524
  428   HD13  ILE 872          HD13      ILE  62  19.833   6.763   5.159
  429    H    TYR 873           H        TYR  63  24.169   9.534   9.698
  430    HA   TYR 873           HA       TYR  63  25.311   7.838  11.825
  431    HB2  TYR 873           HB2      TYR  63  25.620  10.757  11.031
  432    HB3  TYR 873           HB3      TYR  63  26.337  10.065  12.479
  433    HD1  TYR 873           HD1      TYR  63  26.392   7.561   9.926
  434    HD2  TYR 873           HD2      TYR  63  28.364  11.153  11.247
  435    HE1  TYR 873           HE1      TYR  63  28.488   6.788   8.856
  436    HE2  TYR 873           HE2      TYR  63  30.453  10.427  10.081
  437    HH   TYR 873           HH       TYR  63  30.697   7.304   8.341
  438    H    ARG 874           H        ARG  64  22.411   8.824  11.605
  439    HA   ARG 874           HA       ARG  64  21.975   9.365  14.477
  440    HB2  ARG 874           HB2      ARG  64  20.801  11.061  12.217
  441    HB3  ARG 874           HB3      ARG  64  20.302  11.171  13.894
  442    HG2  ARG 874           HG2      ARG  64  23.050  11.882  12.787
  443    HG3  ARG 874           HG3      ARG  64  21.811  13.011  13.330
  444    HD2  ARG 874           HD2      ARG  64  23.126  10.928  15.098
  445    HD3  ARG 874           HD3      ARG  64  23.683  12.597  14.994
  446    HE   ARG 874           HE       ARG  64  21.258  11.569  16.327
  447   HH11  ARG 874          HH11      ARG  64  22.880  14.503  15.292
  448   HH12  ARG 874          HH12      ARG  64  21.943  15.506  16.370
  449   HH21  ARG 874          HH21      ARG  64  20.127  12.904  17.684
  450   HH22  ARG 874          HH22      ARG  64  20.434  14.615  17.694
  451    H1   ALA   1           H1       ALA  65  16.955  -2.393   3.734
  452    H2   ALA   1           H2       ALA  65  17.638  -3.779   3.134
  453    H3   ALA   1           H3       ALA  65  17.460  -3.586   4.748
  454    HA   ALA   1           HA       ALA  65  15.285  -3.796   2.796
  455    HB1  ALA   1           HB1      ALA  65  14.873  -5.993   4.200
  456    HB2  ALA   1           HB2      ALA  65  16.601  -5.846   4.584
  457    HB3  ALA   1           HB3      ALA  65  16.054  -5.941   2.887
  458    H    ARG   2           H        ARG  66  13.511  -2.596   3.474
  459    HA   ARG   2           HA       ARG  66  13.115  -1.692   6.184
  460    HB2  ARG   2           HB2      ARG  66  11.212  -2.125   3.844
  461    HB3  ARG   2           HB3      ARG  66  10.678  -1.480   5.400
  462    HG2  ARG   2           HG2      ARG  66  12.144   0.436   5.211
  463    HG3  ARG   2           HG3      ARG  66  12.859  -0.182   3.712
  464    HD2  ARG   2           HD2      ARG  66  10.612  -0.090   2.630
  465    HD3  ARG   2           HD3      ARG  66   9.935   0.571   4.137
  466    HE   ARG   2           HE       ARG  66  12.155   2.176   3.240
  467   HH11  ARG   2          HH11      ARG  66  11.813   4.203   2.347
  468   HH12  ARG   2          HH12      ARG  66  10.271   4.586   1.652
  469   HH21  ARG   2          HH21      ARG  66   8.813   1.567   2.370
  470   HH22  ARG   2          HH22      ARG  66   8.602   3.151   1.684
  471    H    THR   3           H        THR  67  12.189  -2.551   7.929
  472    HA   THR   3           HA       THR  67  10.762  -5.182   7.770
  473    HB   THR   3           HB       THR  67  11.809  -5.814   9.916
  474    HG1  THR   3           HG1      THR  67  13.674  -4.654  10.542
  475   HG21  THR   3          HG21      THR  67  13.963  -6.412   9.069
  476   HG22  THR   3          HG22      THR  67  13.945  -5.075   7.892
  477   HG23  THR   3          HG23      THR  67  12.852  -6.471   7.687
  478    H    LYS   4           H        LYS  68   9.978  -2.146   8.188
  479    HA   LYS   4           HA       LYS  68   7.697  -2.870   9.892
  480    HB2  LYS   4           HB2      LYS  68   7.821  -1.008  11.380
  481    HB3  LYS   4           HB3      LYS  68   9.346  -1.884  11.483
  482    HG2  LYS   4           HG2      LYS  68  10.407  -0.178   9.984
  483    HG3  LYS   4           HG3      LYS  68   8.877   0.713   9.936
  484    HD2  LYS   4           HD2      LYS  68   8.942   1.047  12.376
  485    HD3  LYS   4           HD3      LYS  68  10.442   0.107  12.482
  486    HE2  LYS   4           HE2      LYS  68  11.529   1.788  10.920
  487    HE3  LYS   4           HE3      LYS  68  10.042   2.749  10.983
  488    HZ1  LYS   4           HZ1      LYS  68  11.629   3.568  12.618
  489    HZ2  LYS   4           HZ2      LYS  68  11.813   2.089  13.297
  490    HZ3  LYS   4           HZ3      LYS  68  10.387   2.903  13.440
  491    H    GLN   5           H        GLN  69   5.910  -1.370   9.730
  492    HA   GLN   5           HA       GLN  69   5.543  -0.197   7.066
  493    HB2  GLN   5           HB2      GLN  69   3.764  -0.252   9.544
  494    HB3  GLN   5           HB3      GLN  69   3.301   0.400   7.964
  495    HG2  GLN   5           HG2      GLN  69   3.716  -1.840   6.934
  496    HG3  GLN   5           HG3      GLN  69   4.058  -2.500   8.533
  497   HE21  GLN   5          HE21      GLN  69   2.121  -3.839   7.310
  498   HE22  GLN   5          HE22      GLN  69   0.531  -3.359   7.886
  499    H    THR   6           H        THR  70   7.375   1.247   7.197
  500    HA   THR   6           HA       THR  70   7.511   3.333   9.178
  501    HB   THR   6           HB       THR  70   9.424   2.212   8.011
  502    HG1  THR   6           HG1      THR  70   9.377   5.048   8.048
  503   HG21  THR   6          HG21      THR  70  10.306   3.149   5.954
  504   HG22  THR   6          HG22      THR  70   8.905   4.228   5.780
  505   HG23  THR   6          HG23      THR  70   8.701   2.468   5.645
  506    H    ALA   7           H        ALA  71   5.523   3.245   6.448
  507    HA   ALA   7           HA       ALA  71   5.513   6.024   5.678
  508    HB1  ALA   7           HB1      ALA  71   4.696   4.185   4.245
  509    HB2  ALA   7           HB2      ALA  71   3.430   5.397   4.527
  510    HB3  ALA   7           HB3      ALA  71   3.385   3.857   5.405
  511    H    ARG   8           H        ARG  72   3.593   7.451   5.935
  512    HA   ARG   8           HA       ARG  72   3.019   8.001   8.709
  513    HB2  ARG   8           HB2      ARG  72   1.765   9.110   6.150
  514    HB3  ARG   8           HB3      ARG  72   1.461   9.742   7.770
  515    HG2  ARG   8           HG2      ARG  72   3.885  10.247   8.041
  516    HG3  ARG   8           HG3      ARG  72   4.175   9.695   6.385
  517    HD2  ARG   8           HD2      ARG  72   2.597  11.444   5.540
  518    HD3  ARG   8           HD3      ARG  72   2.319  11.968   7.196
  519    HE   ARG   8           HE       ARG  72   4.428  12.956   7.315
  520   HH11  ARG   8          HH11      ARG  72   6.193  13.965   6.440
  521   HH12  ARG   8          HH12      ARG  72   6.672  13.631   4.801
  522   HH21  ARG   8          HH21      ARG  72   4.156  11.379   4.189
  523   HH22  ARG   8          HH22      ARG  72   5.548  12.206   3.553
  524    H    LYS   9           H        LYS  73   1.173   7.841   9.908
  525    HA   LYS   9           HA       LYS  73  -0.560   5.576   9.369
  526    HB2  LYS   9           HB2      LYS  73  -1.435   5.926  11.564
  527    HB3  LYS   9           HB3      LYS  73   0.312   6.101  11.610
  528    HG2  LYS   9           HG2      LYS  73   0.053   8.585  11.658
  529    HG3  LYS   9           HG3      LYS  73  -1.709   8.399  11.613
  530    HD2  LYS   9           HD2      LYS  73  -1.599   7.069  13.727
  531    HD3  LYS   9           HD3      LYS  73   0.139   7.357  13.816
  532    HE2  LYS   9           HE2      LYS  73  -2.004   9.540  13.798
  533    HE3  LYS   9           HE3      LYS  73  -1.301   8.855  15.259
  534    HZ1  LYS   9           HZ1      LYS  73   0.896   9.667  14.511
  535    HZ2  LYS   9           HZ2      LYS  73  -0.165  10.895  14.678
  536    HZ3  LYS   9           HZ3      LYS  73   0.222  10.365  13.188
  537    H    SER  10           H        SER  74  -0.930   8.887   8.558
  538    HA   SER  10           HA       SER  74  -3.799   9.109   8.702
  539    HB2  SER  10           HB2      SER  74  -3.441  11.132   7.311
  540    HB3  SER  10           HB3      SER  74  -2.408  11.080   8.749
  541    HG   SER  10           HG       SER  74  -1.308  11.693   6.765
  542    H    THR  11           H        THR  75  -5.304   9.271   6.962
  543    HA   THR  11           HA       THR  75  -5.034   7.118   5.017
  544    HB   THR  11           HB       THR  75  -7.385   7.724   4.434
  545    HG1  THR  11           HG1      THR  75  -7.487   9.898   4.877
  546   HG21  THR  11          HG21      THR  75  -6.902   7.450   7.430
  547   HG22  THR  11          HG22      THR  75  -6.912   6.117   6.253
  548   HG23  THR  11          HG23      THR  75  -8.387   7.053   6.545
  549    H    GLY  12           H        GLY  76  -4.415  10.509   4.836
  550    HA2  GLY  12           HA2      GLY  76  -3.259  10.676   2.363
  551    HA3  GLY  12           HA3      GLY  76  -4.973  10.861   1.980
  Start of MODEL   16
    1    H1   GLY 811           H1       GLY   1  28.152   8.341  21.621
    2    H2   GLY 811           H2       GLY   1  28.834   9.792  21.960
    3    H3   GLY 811           H3       GLY   1  29.283   8.968  20.616
    4    HA2  GLY 811           HA2      GLY   1  26.602  10.129  21.110
    5    HA3  GLY 811           HA3      GLY   1  27.829  10.820  20.033
    6    HA   PRO 812           HA       PRO   2  24.617   8.246  17.670
    7    HB2  PRO 812           HB2      PRO   2  25.337  10.537  15.833
    8    HB3  PRO 812           HB3      PRO   2  23.760   9.699  16.007
    9    HG2  PRO 812           HG2      PRO   2  24.120  12.041  17.242
   10    HG3  PRO 812           HG3      PRO   2  23.392  10.685  18.163
   11    HD2  PRO 812           HD2      PRO   2  26.256  11.659  18.216
   12    HD3  PRO 812           HD3      PRO   2  25.189  11.200  19.575
   13    H    LEU 813           H        LEU   3  27.733   9.468  16.330
   14    HA   LEU 813           HA       LEU   3  27.723   7.307  14.466
   15    HB2  LEU 813           HB2      LEU   3  28.969   9.371  14.107
   16    HB3  LEU 813           HB3      LEU   3  30.013   9.043  15.480
   17    HG   LEU 813           HG       LEU   3  30.982   8.730  13.201
   18   HD11  LEU 813          HD11      LEU   3  32.304   6.802  13.668
   19   HD12  LEU 813          HD12      LEU   3  31.095   6.133  14.773
   20   HD13  LEU 813          HD13      LEU   3  31.982   7.615  15.208
   21   HD21  LEU 813          HD21      LEU   3  29.346   6.197  13.030
   22   HD22  LEU 813          HD22      LEU   3  30.534   6.825  11.863
   23   HD23  LEU 813          HD23      LEU   3  29.023   7.707  12.131
   24    H    GLY 814           H        GLY   4  27.810   5.208  14.966
   25    HA2  GLY 814           HA2      GLY   4  28.600   3.237  15.956
   26    HA3  GLY 814           HA3      GLY   4  29.596   4.150  17.087
   27    H    SER 815           H        SER   5  26.364   5.369  17.036
   28    HA   SER 815           HA       SER   5  25.343   3.395  19.023
   29    HB2  SER 815           HB2      SER   5  24.879   6.375  19.359
   30    HB3  SER 815           HB3      SER   5  24.508   5.078  20.507
   31    HG   SER 815           HG       SER   5  26.998   6.237  19.912
   32    H    VAL 816           H        VAL   6  24.775   5.131  16.211
   33    HA   VAL 816           HA       VAL   6  21.940   5.505  16.388
   34    HB   VAL 816           HB       VAL   6  24.116   5.500  14.355
   35   HG11  VAL 816          HG11      VAL   6  22.649   6.007  12.533
   36   HG12  VAL 816          HG12      VAL   6  21.256   5.457  13.512
   37   HG13  VAL 816          HG13      VAL   6  22.558   4.295  13.068
   38   HG21  VAL 816          HG21      VAL   6  21.805   7.357  14.835
   39   HG22  VAL 816          HG22      VAL   6  23.414   7.686  14.088
   40   HG23  VAL 816          HG23      VAL   6  23.300   7.386  15.819
   41    H    GLN 817           H        GLN   7  20.307   4.171  15.690
   42    HA   GLN 817           HA       GLN   7  20.884   1.341  15.052
   43    HB2  GLN 817           HB2      GLN   7  19.561   0.639  17.111
   44    HB3  GLN 817           HB3      GLN   7  21.246   1.137  17.311
   45    HG2  GLN 817           HG2      GLN   7  20.615   3.356  18.096
   46    HG3  GLN 817           HG3      GLN   7  18.931   3.025  17.877
   47   HE21  GLN 817          HE21      GLN   7  19.653   3.953  20.256
   48   HE22  GLN 817          HE22      GLN   7  19.894   2.712  21.469
   49    H    HIS 818           H        HIS   8  19.756   1.278  13.307
   50    HA   HIS 818           HA       HIS   8  17.185   2.635  13.105
   51    HB2  HIS 818           HB2      HIS   8  18.946   1.094  11.192
   52    HB3  HIS 818           HB3      HIS   8  17.306   1.605  10.776
   53    HD2  HIS 818           HD2      HIS   8  20.534   3.384  12.064
   54    HE1  HIS 818           HE1      HIS   8  17.978   6.310  10.314
   55    HE2  HIS 818           HE2      HIS   8  20.160   5.959  11.491
   56    H    VAL 819           H        VAL   9  16.589   1.184  15.006
   57    HA   VAL 819           HA       VAL   9  15.658  -1.443  14.962
   58    HB   VAL 819           HB       VAL   9  14.529   1.000  16.316
   59   HG11  VAL 819          HG11      VAL   9  13.654  -0.587  17.977
   60   HG12  VAL 819          HG12      VAL   9  14.187  -1.959  16.978
   61   HG13  VAL 819          HG13      VAL   9  12.886  -0.874  16.402
   62   HG21  VAL 819          HG21      VAL   9  15.834   0.156  18.249
   63   HG22  VAL 819          HG22      VAL   9  16.885   0.576  16.907
   64   HG23  VAL 819          HG23      VAL   9  16.513  -1.131  17.231
   65    H    GLY 820           H        GLY  10  14.740  -2.315  13.218
   66    HA2  GLY 820           HA2      GLY  10  12.695  -2.803  12.046
   67    HA3  GLY 820           HA3      GLY  10  12.319  -1.107  11.936
   68    H    PHE 821           H        PHE  11  15.661  -1.719  11.198
   69    HA   PHE 821           HA       PHE  11  15.088  -2.045   8.275
   70    HB2  PHE 821           HB2      PHE  11  17.032  -0.068   9.474
   71    HB3  PHE 821           HB3      PHE  11  16.789  -0.384   7.773
   72    HD1  PHE 821           HD1      PHE  11  15.332   0.950   6.528
   73    HD2  PHE 821           HD2      PHE  11  14.980   0.915  10.822
   74    HE1  PHE 821           HE1      PHE  11  13.686   2.819   6.422
   75    HE2  PHE 821           HE2      PHE  11  13.353   2.773  10.709
   76    HZ   PHE 821           HZ       PHE  11  12.692   3.723   8.516
   77    H    LYS 822           H        LYS  12  15.882  -4.016   7.964
   78    HA   LYS 822           HA       LYS  12  18.107  -5.128   9.400
   79    HB2  LYS 822           HB2      LYS  12  16.095  -6.420   8.832
   80    HB3  LYS 822           HB3      LYS  12  16.357  -6.118   7.126
   81    HG2  LYS 822           HG2      LYS  12  18.631  -7.386   7.499
   82    HG3  LYS 822           HG3      LYS  12  17.896  -8.003   8.950
   83    HD2  LYS 822           HD2      LYS  12  16.626  -8.171   6.214
   84    HD3  LYS 822           HD3      LYS  12  17.776  -9.379   6.768
   85    HE2  LYS 822           HE2      LYS  12  16.404  -9.867   8.709
   86    HE3  LYS 822           HE3      LYS  12  15.162  -8.703   8.209
   87    HZ1  LYS 822           HZ1      LYS  12  14.572 -10.985   7.525
   88    HZ2  LYS 822           HZ2      LYS  12  15.945 -11.157   6.671
   89    HZ3  LYS 822           HZ3      LYS  12  14.805 -10.084   6.189
   90    H    CYS 823           H        CYS  13  20.208  -5.699   8.555
   91    HA   CYS 823           HA       CYS  13  21.225  -4.526   6.071
   92    HB2  CYS 823           HB2      CYS  13  22.765  -4.748   7.927
   93    HB3  CYS 823           HB3      CYS  13  22.360  -6.444   8.135
   94    H    ASP 824           H        ASP  14  20.801  -5.398   4.055
   95    HA   ASP 824           HA       ASP  14  19.668  -7.996   3.684
   96    HB2  ASP 824           HB2      ASP  14  20.954  -6.028   1.770
   97    HB3  ASP 824           HB3      ASP  14  20.221  -7.540   1.248
   98    H    ASN 825           H        ASN  15  22.990  -7.269   4.264
   99    HA   ASN 825           HA       ASN  15  23.982  -9.579   2.680
  100    HB2  ASN 825           HB2      ASN  15  25.329  -7.461   2.763
  101    HB3  ASN 825           HB3      ASN  15  25.467  -7.687   4.501
  102   HD21  ASN 825          HD21      ASN  15  27.610  -8.055   4.728
  103   HD22  ASN 825          HD22      ASN  15  28.464  -9.377   3.915
  104    H    CYS 826           H        CYS  16  24.231  -8.571   6.174
  105    HA   CYS 826           HA       CYS  16  24.713 -11.402   6.864
  106    HB2  CYS 826           HB2      CYS  16  25.690 -10.561   8.878
  107    HB3  CYS 826           HB3      CYS  16  26.403  -9.746   7.488
  108    H    GLY 827           H        GLY  17  22.087  -9.211   6.872
  109    HA2  GLY 827           HA2      GLY  17  19.953  -9.551   7.509
  110    HA3  GLY 827           HA3      GLY  17  20.380 -11.115   8.120
  111    H    ILE 828           H        ILE  18  22.193  -8.456   9.618
  112    HA   ILE 828           HA       ILE  18  20.786  -8.713  12.141
  113    HB   ILE 828           HB       ILE  18  23.025  -7.918  12.277
  114   HG12  ILE 828          HG12      ILE  18  21.423  -5.397  12.816
  115   HG13  ILE 828          HG13      ILE  18  21.049  -6.858  13.690
  116   HG21  ILE 828          HG21      ILE  18  23.911  -5.851  11.378
  117   HG22  ILE 828          HG22      ILE  18  22.337  -5.397  10.691
  118   HG23  ILE 828          HG23      ILE  18  23.241  -6.773  10.050
  119   HD11  ILE 828          HD11      ILE  18  23.759  -5.463  13.685
  120   HD12  ILE 828          HD12      ILE  18  23.390  -6.983  14.530
  121   HD13  ILE 828          HD13      ILE  18  22.566  -5.481  15.000
  122    H    GLU 829           H        GLU  19  18.871  -8.374  12.360
  123    HA   GLU 829           HA       GLU  19  17.270  -6.949  10.651
  124    HB2  GLU 829           HB2      GLU  19  15.471  -7.272  12.439
  125    HB3  GLU 829           HB3      GLU  19  16.094  -8.588  11.485
  126    HG2  GLU 829           HG2      GLU  19  17.132  -8.001  14.295
  127    HG3  GLU 829           HG3      GLU  19  15.691  -8.958  14.014
  128    HA   PRO 830           HA       PRO  20  17.635  -3.037  11.813
  129    HB2  PRO 830           HB2      PRO  20  17.606  -1.937  14.090
  130    HB3  PRO 830           HB3      PRO  20  16.276  -3.100  13.689
  131    HG2  PRO 830           HG2      PRO  20  18.736  -3.555  15.338
  132    HG3  PRO 830           HG3      PRO  20  17.069  -4.016  15.735
  133    HD2  PRO 830           HD2      PRO  20  18.999  -5.684  14.481
  134    HD3  PRO 830           HD3      PRO  20  17.228  -5.899  14.366
  135    H    ILE 831           H        ILE  21  19.240  -1.902  10.992
  136    HA   ILE 831           HA       ILE  21  21.943  -2.606  11.608
  137    HB   ILE 831           HB       ILE  21  20.712  -0.443   9.893
  138   HG12  ILE 831          HG12      ILE  21  22.310  -2.783   8.859
  139   HG13  ILE 831          HG13      ILE  21  20.703  -3.161   9.481
  140   HG21  ILE 831          HG21      ILE  21  23.633  -1.200  10.335
  141   HG22  ILE 831          HG22      ILE  21  22.864   0.391  10.479
  142   HG23  ILE 831          HG23      ILE  21  23.053  -0.355   8.887
  143   HD11  ILE 831          HD11      ILE  21  19.694  -1.516   7.932
  144   HD12  ILE 831          HD12      ILE  21  20.718  -2.645   7.027
  145   HD13  ILE 831          HD13      ILE  21  21.300  -1.020   7.387
  146    H    GLN 832           H        GLN  22  22.834  -2.160  13.513
  147    HA   GLN 832           HA       GLN  22  22.671   0.507  14.657
  148    HB2  GLN 832           HB2      GLN  22  24.152  -1.898  15.733
  149    HB3  GLN 832           HB3      GLN  22  23.774  -0.385  16.568
  150    HG2  GLN 832           HG2      GLN  22  21.225  -1.132  15.866
  151    HG3  GLN 832           HG3      GLN  22  21.972  -2.712  15.861
  152   HE21  GLN 832          HE21      GLN  22  19.850  -1.720  17.677
  153   HE22  GLN 832          HE22      GLN  22  20.548  -1.783  19.283
  154    H    GLY 833           H        GLY  23  24.505   1.604  15.479
  155    HA2  GLY 833           HA2      GLY  23  26.626   2.569  15.389
  156    HA3  GLY 833           HA3      GLY  23  27.062   1.637  13.989
  157    H    VAL 834           H        VAL  24  25.778   2.037  12.045
  158    HA   VAL 834           HA       VAL  24  24.566   4.658  11.559
  159    HB   VAL 834           HB       VAL  24  25.923   5.089   9.588
  160   HG11  VAL 834          HG11      VAL  24  26.545   6.179  11.678
  161   HG12  VAL 834          HG12      VAL  24  27.955   5.872  10.636
  162   HG13  VAL 834          HG13      VAL  24  27.685   4.845  12.033
  163   HG21  VAL 834          HG21      VAL  24  26.770   2.965   8.879
  164   HG22  VAL 834          HG22      VAL  24  27.718   2.817  10.390
  165   HG23  VAL 834          HG23      VAL  24  28.112   4.053   9.178
  166    H    ARG 835           H        ARG  25  23.066   4.467   9.747
  167    HA   ARG 835           HA       ARG  25  22.893   1.712   8.577
  168    HB2  ARG 835           HB2      ARG  25  20.832   2.378   9.506
  169    HB3  ARG 835           HB3      ARG  25  20.793   3.892   8.592
  170    HG2  ARG 835           HG2      ARG  25  20.401   2.756   6.517
  171    HG3  ARG 835           HG3      ARG  25  20.944   1.205   7.165
  172    HD2  ARG 835           HD2      ARG  25  18.562   1.074   6.959
  173    HD3  ARG 835           HD3      ARG  25  18.976   1.116   8.651
  174    HE   ARG 835           HE       ARG  25  18.007   3.233   8.896
  175   HH11  ARG 835          HH11      ARG  25  16.630   4.765   8.498
  176   HH12  ARG 835          HH12      ARG  25  16.081   5.114   6.884
  177   HH21  ARG 835          HH21      ARG  25  17.779   2.435   5.446
  178   HH22  ARG 835          HH22      ARG  25  16.787   3.856   5.172
  179    H    TRP 836           H        TRP  26  23.693   1.220   6.692
  180    HA   TRP 836           HA       TRP  26  24.340   3.331   4.705
  181    HB2  TRP 836           HB2      TRP  26  25.062   0.467   5.219
  182    HB3  TRP 836           HB3      TRP  26  25.117   0.982   3.616
  183    HD1  TRP 836           HD1      TRP  26  26.989   0.819   6.713
  184    HE1  TRP 836           HE1      TRP  26  29.339   1.839   6.438
  185    HE3  TRP 836           HE3      TRP  26  26.143   3.592   2.514
  186    HZ2  TRP 836           HZ2      TRP  26  30.630   3.735   4.677
  187    HZ3  TRP 836           HZ3      TRP  26  27.974   4.949   1.507
  188    HH2  TRP 836           HH2      TRP  26  30.207   5.035   2.585
  189    H    HIS 837           H        HIS  27  22.281   4.013   4.049
  190    HA   HIS 837           HA       HIS  27  20.146   2.130   3.252
  191    HB2  HIS 837           HB2      HIS  27  19.403   4.148   4.211
  192    HB3  HIS 837           HB3      HIS  27  20.530   5.125   3.276
  193    HD2  HIS 837           HD2      HIS  27  19.486   6.473   1.434
  194    HE1  HIS 837           HE1      HIS  27  16.222   3.967   0.342
  195    HE2  HIS 837           HE2      HIS  27  17.365   6.188  -0.104
  196    H    CYS 838           H        CYS  28  19.635   1.412   1.192
  197    HA   CYS 838           HA       CYS  28  21.447   1.983  -1.023
  198    HB2  CYS 838           HB2      CYS  28  19.127   0.172  -0.438
  199    HB3  CYS 838           HB3      CYS  28  19.479   0.498  -2.081
  200    H    GLN 839           H        GLN  29  21.327   3.859  -1.940
  201    HA   GLN 839           HA       GLN  29  19.231   5.771  -1.713
  202    HB2  GLN 839           HB2      GLN  29  21.734   5.584  -3.425
  203    HB3  GLN 839           HB3      GLN  29  20.739   6.959  -3.515
  204    HG2  GLN 839           HG2      GLN  29  20.985   7.019  -0.857
  205    HG3  GLN 839           HG3      GLN  29  22.377   5.983  -1.172
  206   HE21  GLN 839          HE21      GLN  29  21.305   9.250  -0.986
  207   HE22  GLN 839          HE22      GLN  29  22.726   9.954  -1.738
  208    H    ASP 840           H        ASP  30  19.714   3.324  -4.278
  209    HA   ASP 840           HA       ASP  30  17.784   4.822  -5.967
  210    HB2  ASP 840           HB2      ASP  30  20.447   4.062  -6.536
  211    HB3  ASP 840           HB3      ASP  30  19.466   2.956  -7.459
  212    H    CYS 841           H        CYS  31  18.523   1.714  -4.448
  213    HA   CYS 841           HA       CYS  31  16.674   0.185  -5.872
  214    HB2  CYS 841           HB2      CYS  31  16.988  -0.219  -2.959
  215    HB3  CYS 841           HB3      CYS  31  16.701  -1.353  -4.117
  216    HA   PRO 842           HA       PRO  32  12.872   2.182  -4.742
  217    HB2  PRO 842           HB2      PRO  32  11.106   0.408  -5.845
  218    HB3  PRO 842           HB3      PRO  32  12.389   1.162  -6.829
  219    HG2  PRO 842           HG2      PRO  32  12.449  -1.546  -5.429
  220    HG3  PRO 842           HG3      PRO  32  12.780  -1.188  -7.148
  221    HD2  PRO 842           HD2      PRO  32  14.817  -1.356  -5.399
  222    HD3  PRO 842           HD3      PRO  32  14.795  -0.146  -6.711
  223    HA   PRO 843           HA       PRO  33  10.827   0.774  -0.990
  224    HB2  PRO 843           HB2      PRO  33   8.164   0.473  -2.293
  225    HB3  PRO 843           HB3      PRO  33   8.638   1.486  -0.906
  226    HG2  PRO 843           HG2      PRO  33   8.128   2.364  -3.470
  227    HG3  PRO 843           HG3      PRO  33   9.202   3.255  -2.321
  228    HD2  PRO 843           HD2      PRO  33   9.880   1.631  -4.710
  229    HD3  PRO 843           HD3      PRO  33  10.817   2.931  -3.916
  230    H    GLU 844           H        GLU  34  10.454  -1.198  -3.902
  231    HA   GLU 844           HA       GLU  34   8.978  -3.336  -2.614
  232    HB2  GLU 844           HB2      GLU  34  10.373  -2.933  -5.310
  233    HB3  GLU 844           HB3      GLU  34   9.663  -4.473  -4.869
  234    HG2  GLU 844           HG2      GLU  34   7.496  -3.156  -4.378
  235    HG3  GLU 844           HG3      GLU  34   8.252  -1.789  -5.193
  236    H    MET 845           H        MET  35  12.235  -2.436  -3.184
  237    HA   MET 845           HA       MET  35  13.540  -4.883  -2.166
  238    HB2  MET 845           HB2      MET  35  13.251  -4.781  -4.610
  239    HB3  MET 845           HB3      MET  35  13.848  -3.157  -4.659
  240    HG2  MET 845           HG2      MET  35  15.521  -4.659  -5.414
  241    HG3  MET 845           HG3      MET  35  16.061  -3.995  -3.925
  242    HE1  MET 845           HE1      MET  35  13.618  -7.094  -4.796
  243    HE2  MET 845           HE2      MET  35  14.806  -8.405  -4.677
  244    HE3  MET 845           HE3      MET  35  15.003  -7.146  -5.915
  245    H    SER 846           H        SER  36  13.077  -2.962  -0.460
  246    HA   SER 846           HA       SER  36  14.864  -0.659  -0.828
  247    HB2  SER 846           HB2      SER  36  13.686   0.197   1.179
  248    HB3  SER 846           HB3      SER  36  12.695  -0.278  -0.229
  249    HG   SER 846           HG       SER  36  11.625  -1.282   1.404
  250    H    LEU 847           H        LEU  37  16.630  -2.052  -0.957
  251    HA   LEU 847           HA       LEU  37  17.633  -3.539   1.117
  252    HB2  LEU 847           HB2      LEU  37  18.966  -2.204  -1.184
  253    HB3  LEU 847           HB3      LEU  37  19.941  -2.868   0.116
  254    HG   LEU 847           HG       LEU  37  18.453  -5.009  -0.308
  255   HD11  LEU 847          HD11      LEU  37  17.106  -4.167  -2.018
  256   HD12  LEU 847          HD12      LEU  37  18.199  -5.367  -2.721
  257   HD13  LEU 847          HD13      LEU  37  18.521  -3.633  -2.968
  258   HD21  LEU 847          HD21      LEU  37  20.277  -5.892  -1.688
  259   HD22  LEU 847          HD22      LEU  37  20.905  -4.924  -0.345
  260   HD23  LEU 847          HD23      LEU  37  20.846  -4.232  -1.970
  261    H    ASP 848           H        ASP  38  19.322  -3.186   2.535
  262    HA   ASP 848           HA       ASP  38  20.458  -0.576   3.082
  263    HB2  ASP 848           HB2      ASP  38  19.078  -2.017   5.369
  264    HB3  ASP 848           HB3      ASP  38  20.046  -0.541   5.454
  265    H    PHE 849           H        PHE  39  22.388  -0.798   4.363
  266    HA   PHE 849           HA       PHE  39  23.282  -3.547   4.989
  267    HB2  PHE 849           HB2      PHE  39  24.935  -1.454   3.582
  268    HB3  PHE 849           HB3      PHE  39  25.548  -2.958   4.251
  269    HD1  PHE 849           HD1      PHE  39  24.804  -5.171   3.279
  270    HD2  PHE 849           HD2      PHE  39  23.835  -1.413   1.421
  271    HE1  PHE 849           HE1      PHE  39  24.271  -6.359   1.135
  272    HE2  PHE 849           HE2      PHE  39  23.327  -2.600  -0.690
  273    HZ   PHE 849           HZ       PHE  39  23.551  -5.063  -0.845
  274    H    CYS 850           H        CYS  40  24.937  -3.653   6.584
  275    HA   CYS 850           HA       CYS  40  24.964  -1.332   8.415
  276    HB2  CYS 850           HB2      CYS  40  25.770  -2.933  10.136
  277    HB3  CYS 850           HB3      CYS  40  24.226  -3.420   9.462
  278    H    ASP 851           H        ASP  41  27.162  -0.816   9.444
  279    HA   ASP 851           HA       ASP  41  28.884  -0.213   7.220
  280    HB2  ASP 851           HB2      ASP  41  28.569   1.284   9.038
  281    HB3  ASP 851           HB3      ASP  41  29.327   0.224  10.202
  282    H    SER 852           H        SER  42  28.757  -2.994   9.164
  283    HA   SER 852           HA       SER  42  31.429  -4.065   8.629
  284    HB2  SER 852           HB2      SER  42  28.721  -5.364   9.138
  285    HB3  SER 852           HB3      SER  42  30.216  -6.239   9.151
  286    HG   SER 852           HG       SER  42  30.867  -5.009  11.015
  287    H    CYS 853           H        CYS  43  28.440  -3.712   6.850
  288    HA   CYS 853           HA       CYS  43  29.163  -5.847   4.952
  289    HB2  CYS 853           HB2      CYS  43  26.527  -4.901   6.082
  290    HB3  CYS 853           HB3      CYS  43  26.620  -5.883   4.623
  291    H    SER 854           H        SER  44  28.596  -2.304   4.800
  292    HA   SER 854           HA       SER  44  27.144  -2.332   2.350
  293    HB2  SER 854           HB2      SER  44  27.880   0.053   2.179
  294    HB3  SER 854           HB3      SER  44  27.150  -0.456   3.698
  295    HG   SER 854           HG       SER  44  29.168   0.789   3.960
  296    H    ASP 855           H        ASP  45  30.561  -2.833   2.795
  297    HA   ASP 855           HA       ASP  45  31.427  -2.325   0.101
  298    HB2  ASP 855           HB2      ASP  45  32.393  -4.322   2.194
  299    HB3  ASP 855           HB3      ASP  45  33.240  -3.960   0.694
  300    H    CYS 856           H        CYS  46  29.132  -4.566   1.190
  301    HA   CYS 856           HA       CYS  46  29.835  -6.896  -0.333
  302    HB2  CYS 856           HB2      CYS  46  28.299  -6.945   1.595
  303    HB3  CYS 856           HB3      CYS  46  27.153  -5.903   0.750
  304    HG   CYS 856           HG       CYS  46  28.113  -9.000   0.020
  305    H    LEU 857           H        LEU  47  27.624  -4.245  -1.150
  306    HA   LEU 857           HA       LEU  47  26.713  -3.582  -3.155
  307    HB2  LEU 857           HB2      LEU  47  29.287  -3.192  -3.148
  308    HB3  LEU 857           HB3      LEU  47  29.358  -4.509  -4.302
  309    HG   LEU 857           HG       LEU  47  27.586  -3.208  -5.691
  310   HD11  LEU 857          HD11      LEU  47  26.908  -1.559  -4.014
  311   HD12  LEU 857          HD12      LEU  47  27.641  -0.746  -5.397
  312   HD13  LEU 857          HD13      LEU  47  28.578  -0.953  -3.899
  313   HD21  LEU 857          HD21      LEU  47  29.939  -3.423  -6.367
  314   HD22  LEU 857          HD22      LEU  47  30.392  -2.074  -5.307
  315   HD23  LEU 857          HD23      LEU  47  29.351  -1.789  -6.716
  316    H    HIS 858           H        HIS  48  25.526  -5.876  -2.695
  317    HA   HIS 858           HA       HIS  48  25.989  -7.914  -4.747
  318    HB2  HIS 858           HB2      HIS  48  25.261  -8.503  -2.431
  319    HB3  HIS 858           HB3      HIS  48  23.746  -7.656  -2.693
  320    HD2  HIS 858           HD2      HIS  48  21.971  -9.548  -2.800
  321    HE1  HIS 858           HE1      HIS  48  23.916 -12.230  -5.493
  322    HE2  HIS 858           HE2      HIS  48  21.787 -11.802  -4.166
  323    H    GLU 859           H        GLU  49  25.647  -7.477  -6.715
  324    HA   GLU 859           HA       GLU  49  23.480  -5.722  -7.497
  325    HB2  GLU 859           HB2      GLU  49  25.390  -7.229  -9.274
  326    HB3  GLU 859           HB3      GLU  49  24.342  -5.895  -9.656
  327    HG2  GLU 859           HG2      GLU  49  25.722  -4.407  -8.103
  328    HG3  GLU 859           HG3      GLU  49  26.860  -5.750  -7.958
  329    H    THR 860           H        THR  50  21.525  -6.512  -7.593
  330    HA   THR 860           HA       THR  50  20.955  -8.990  -8.960
  331    HB   THR 860           HB       THR  50  21.552  -9.864  -6.738
  332    HG1  THR 860           HG1      THR  50  20.079 -11.063  -7.848
  333   HG21  THR 860          HG21      THR  50  20.737  -7.968  -5.303
  334   HG22  THR 860          HG22      THR  50  20.162  -9.563  -4.793
  335   HG23  THR 860          HG23      THR  50  19.066  -8.473  -5.646
  336    H    ASP 861           H        ASP  51  19.174  -8.835 -10.032
  337    HA   ASP 861           HA       ASP  51  17.427  -8.006 -11.127
  338    HB2  ASP 861           HB2      ASP  51  16.324  -7.583  -8.343
  339    HB3  ASP 861           HB3      ASP  51  15.382  -7.591  -9.831
  340    H    ILE 862           H        ILE  52  18.003  -5.713  -8.535
  341    HA   ILE 862           HA       ILE  52  17.547  -3.347 -10.287
  342    HB   ILE 862           HB       ILE  52  16.309  -3.871  -7.542
  343   HG12  ILE 862          HG12      ILE  52  15.198  -3.927 -10.352
  344   HG13  ILE 862          HG13      ILE  52  15.108  -5.160  -9.102
  345   HG21  ILE 862          HG21      ILE  52  16.498  -1.426  -9.328
  346   HG22  ILE 862          HG22      ILE  52  16.892  -1.605  -7.596
  347   HG23  ILE 862          HG23      ILE  52  15.207  -1.601  -8.131
  348   HD11  ILE 862          HD11      ILE  52  13.585  -3.669  -7.765
  349   HD12  ILE 862          HD12      ILE  52  12.927  -4.259  -9.302
  350   HD13  ILE 862          HD13      ILE  52  13.498  -2.590  -9.186
  351    H    HIS 863           H        HIS  53  18.914  -4.618  -7.189
  352    HA   HIS 863           HA       HIS  53  20.455  -2.171  -6.719
  353    HB2  HIS 863           HB2      HIS  53  19.858  -3.649  -4.894
  354    HB3  HIS 863           HB3      HIS  53  20.720  -4.979  -5.600
  355    HD2  HIS 863           HD2      HIS  53  23.562  -4.144  -6.145
  356    HE1  HIS 863           HE1      HIS  53  23.683  -1.792  -2.641
  357    H    LYS 864           H        LYS  54  22.390  -1.674  -7.608
  358    HA   LYS 864           HA       LYS  54  23.967  -3.560  -9.229
  359    HB2  LYS 864           HB2      LYS  54  23.163  -0.847 -10.316
  360    HB3  LYS 864           HB3      LYS  54  24.113  -2.060 -11.142
  361    HG2  LYS 864           HG2      LYS  54  21.184  -2.331 -10.461
  362    HG3  LYS 864           HG3      LYS  54  21.791  -1.785 -12.011
  363    HD2  LYS 864           HD2      LYS  54  22.707  -3.861 -12.602
  364    HD3  LYS 864           HD3      LYS  54  22.694  -4.485 -10.945
  365    HE2  LYS 864           HE2      LYS  54  20.296  -4.575 -10.884
  366    HE3  LYS 864           HE3      LYS  54  20.150  -3.753 -12.434
  367    HZ1  LYS 864           HZ1      LYS  54  21.362  -6.464 -12.113
  368    HZ2  LYS 864           HZ2      LYS  54  21.217  -5.655 -13.527
  369    HZ3  LYS 864           HZ3      LYS  54  19.879  -6.151 -12.748
  370    H    GLU 865           H        GLU  55  26.053  -2.531  -9.869
  371    HA   GLU 865           HA       GLU  55  27.101  -0.788  -7.829
  372    HB2  GLU 865           HB2      GLU  55  29.077  -0.874  -9.045
  373    HB3  GLU 865           HB3      GLU  55  28.410  -2.484  -9.046
  374    HG2  GLU 865           HG2      GLU  55  27.573  -2.035 -11.405
  375    HG3  GLU 865           HG3      GLU  55  28.409  -0.484 -11.358
  376    H    ASP 866           H        ASP  56  25.078  -0.203 -10.429
  377    HA   ASP 866           HA       ASP  56  26.043   2.516 -11.171
  378    HB2  ASP 866           HB2      ASP  56  23.554   0.966 -11.996
  379    HB3  ASP 866           HB3      ASP  56  24.055   2.533 -12.632
  380    H    HIS 867           H        HIS  57  23.979   0.883  -8.958
  381    HA   HIS 867           HA       HIS  57  22.380   3.178  -8.131
  382    HB2  HIS 867           HB2      HIS  57  21.056   1.369  -7.937
  383    HB3  HIS 867           HB3      HIS  57  22.365   0.225  -7.884
  384    HD2  HIS 867           HD2      HIS  57  23.412  -0.374  -5.527
  385    HE1  HIS 867           HE1      HIS  57  20.601   1.825  -3.213
  386    H    GLN 868           H        GLN  58  22.502   3.655  -5.720
  387    HA   GLN 868           HA       GLN  58  25.352   3.983  -4.883
  388    HB2  GLN 868           HB2      GLN  58  23.181   6.073  -4.987
  389    HB3  GLN 868           HB3      GLN  58  24.818   6.314  -4.352
  390    HG2  GLN 868           HG2      GLN  58  24.164   5.577  -7.250
  391    HG3  GLN 868           HG3      GLN  58  24.399   7.199  -6.634
  392   HE21  GLN 868          HE21      GLN  58  26.186   3.995  -7.069
  393   HE22  GLN 868          HE22      GLN  58  27.738   4.811  -7.141
  394    H    LEU 869           H        LEU  59  25.873   4.395  -2.682
  395    HA   LEU 869           HA       LEU  59  23.798   3.544  -0.723
  396    HB2  LEU 869           HB2      LEU  59  26.822   3.308  -0.550
  397    HB3  LEU 869           HB3      LEU  59  25.636   2.674   0.570
  398    HG   LEU 869           HG       LEU  59  26.539   0.916  -0.620
  399   HD11  LEU 869          HD11      LEU  59  24.139   0.722  -0.125
  400   HD12  LEU 869          HD12      LEU  59  24.585  -0.201  -1.564
  401   HD13  LEU 869          HD13      LEU  59  23.752   1.337  -1.755
  402   HD21  LEU 869          HD21      LEU  59  26.664   0.475  -2.876
  403   HD22  LEU 869          HD22      LEU  59  27.268   2.125  -2.705
  404   HD23  LEU 869          HD23      LEU  59  25.623   1.814  -3.340
  405    H    GLU 870           H        GLU  60  23.622   4.589   1.271
  406    HA   GLU 870           HA       GLU  60  25.031   7.221   1.564
  407    HB2  GLU 870           HB2      GLU  60  22.937   7.674   0.649
  408    HB3  GLU 870           HB3      GLU  60  22.097   6.554   1.708
  409    HG2  GLU 870           HG2      GLU  60  21.619   8.847   2.302
  410    HG3  GLU 870           HG3      GLU  60  22.447   8.028   3.610
  411    HA   PRO 871           HA       PRO  61  25.575   5.414   5.736
  412    HB2  PRO 871           HB2      PRO  61  27.651   6.919   6.546
  413    HB3  PRO 871           HB3      PRO  61  27.828   5.624   5.334
  414    HG2  PRO 871           HG2      PRO  61  27.642   8.611   4.888
  415    HG3  PRO 871           HG3      PRO  61  28.723   7.421   4.097
  416    HD2  PRO 871           HD2      PRO  61  26.318   8.370   3.039
  417    HD3  PRO 871           HD3      PRO  61  27.071   6.820   2.582
  418    H    ILE 872           H        ILE  62  23.784   5.966   6.827
  419    HA   ILE 872           HA       ILE  62  23.136   8.734   7.547
  420    HB   ILE 872           HB       ILE  62  21.715   6.131   8.211
  421   HG12  ILE 872          HG12      ILE  62  21.150   8.161   5.998
  422   HG13  ILE 872          HG13      ILE  62  21.846   6.557   5.764
  423   HG21  ILE 872          HG21      ILE  62  19.811   7.560   8.808
  424   HG22  ILE 872          HG22      ILE  62  20.730   9.016   8.359
  425   HG23  ILE 872          HG23      ILE  62  21.212   8.029   9.753
  426   HD11  ILE 872          HD11      ILE  62  19.772   5.515   6.649
  427   HD12  ILE 872          HD12      ILE  62  19.516   6.485   5.178
  428   HD13  ILE 872          HD13      ILE  62  19.026   7.131   6.745
  429    H    TYR 873           H        TYR  63  24.306   9.622   9.182
  430    HA   TYR 873           HA       TYR  63  25.140   7.993  11.517
  431    HB2  TYR 873           HB2      TYR  63  25.774  10.873  10.822
  432    HB3  TYR 873           HB3      TYR  63  26.372   9.922  12.190
  433    HD1  TYR 873           HD1      TYR  63  28.404  11.204  10.893
  434    HD2  TYR 873           HD2      TYR  63  26.435   7.578   9.650
  435    HE1  TYR 873           HE1      TYR  63  30.479  10.484   9.706
  436    HE2  TYR 873           HE2      TYR  63  28.528   6.813   8.554
  437    HH   TYR 873           HH       TYR  63  30.714   7.343   7.983
  438    H    ARG 874           H        ARG  64  22.406   8.429  11.307
  439    HA   ARG 874           HA       ARG  64  21.827   9.589  13.895
  440    HB2  ARG 874           HB2      ARG  64  20.217  11.314  13.156
  441    HB3  ARG 874           HB3      ARG  64  21.864  11.648  12.678
  442    HG2  ARG 874           HG2      ARG  64  20.586  12.255  10.836
  443    HG3  ARG 874           HG3      ARG  64  21.292  10.727  10.352
  444    HD2  ARG 874           HD2      ARG  64  19.168   9.585  10.869
  445    HD3  ARG 874           HD3      ARG  64  18.475  11.112  11.450
  446    HE   ARG 874           HE       ARG  64  19.360  11.575   8.817
  447   HH11  ARG 874          HH11      ARG  64  17.999  11.557   7.054
  448   HH12  ARG 874          HH12      ARG  64  16.468  10.737   7.142
  449   HH21  ARG 874          HH21      ARG  64  15.845   9.676   8.974
  450   HH22  ARG 874          HH22      ARG  64  16.888   9.642  10.369
  451    H1   ALA   1           H1       ALA  65  17.513  -3.916   3.330
  452    H2   ALA   1           H2       ALA  65  17.410  -3.687   4.942
  453    H3   ALA   1           H3       ALA  65  16.817  -2.536   3.916
  454    HA   ALA   1           HA       ALA  65  15.148  -4.011   3.123
  455    HB1  ALA   1           HB1      ALA  65  14.811  -6.194   4.417
  456    HB2  ALA   1           HB2      ALA  65  16.514  -6.026   4.896
  457    HB3  ALA   1           HB3      ALA  65  16.057  -6.109   3.172
  458    H    ARG   2           H        ARG  66  13.378  -2.869   3.866
  459    HA   ARG   2           HA       ARG  66  13.224  -1.952   6.665
  460    HB2  ARG   2           HB2      ARG  66  11.366  -1.847   4.255
  461    HB3  ARG   2           HB3      ARG  66  10.802  -1.409   5.862
  462    HG2  ARG   2           HG2      ARG  66  11.465   0.538   4.540
  463    HG3  ARG   2           HG3      ARG  66  12.358   0.403   6.054
  464    HD2  ARG   2           HD2      ARG  66  14.363  -0.297   4.916
  465    HD3  ARG   2           HD3      ARG  66  13.503  -0.519   3.396
  466    HE   ARG   2           HE       ARG  66  13.067   2.152   4.088
  467   HH11  ARG   2          HH11      ARG  66  15.988   0.284   3.427
  468   HH12  ARG   2          HH12      ARG  66  16.769   1.621   2.695
  469   HH21  ARG   2          HH21      ARG  66  14.235   3.865   3.235
  470   HH22  ARG   2          HH22      ARG  66  15.851   3.576   2.627
  471    H    THR   3           H        THR  67  12.060  -2.776   8.340
  472    HA   THR   3           HA       THR  67  10.514  -5.319   7.913
  473    HB   THR   3           HB       THR  67  11.416  -6.159  10.031
  474    HG1  THR   3           HG1      THR  67  13.170  -5.132  10.959
  475   HG21  THR   3          HG21      THR  67  12.595  -6.731   7.865
  476   HG22  THR   3          HG22      THR  67  13.651  -6.735   9.294
  477   HG23  THR   3          HG23      THR  67  13.697  -5.361   8.168
  478    H    LYS   4           H        LYS  68  10.845  -2.425  10.010
  479    HA   LYS   4           HA       LYS  68   8.303  -3.135  11.381
  480    HB2  LYS   4           HB2      LYS  68  10.324  -2.340  12.632
  481    HB3  LYS   4           HB3      LYS  68  10.120  -0.746  11.868
  482    HG2  LYS   4           HG2      LYS  68   7.920  -0.508  12.931
  483    HG3  LYS   4           HG3      LYS  68   8.022  -2.151  13.589
  484    HD2  LYS   4           HD2      LYS  68   9.988  -1.494  14.944
  485    HD3  LYS   4           HD3      LYS  68   9.907   0.153  14.275
  486    HE2  LYS   4           HE2      LYS  68   7.634   0.437  15.217
  487    HE3  LYS   4           HE3      LYS  68   7.669  -1.216  15.843
  488    HZ1  LYS   4           HZ1      LYS  68   9.511   0.969  16.706
  489    HZ2  LYS   4           HZ2      LYS  68   9.526  -0.564  17.290
  490    HZ3  LYS   4           HZ3      LYS  68   8.247   0.406  17.569
  491    H    GLN   5           H        GLN  69   6.388  -2.119  11.130
  492    HA   GLN   5           HA       GLN  69   5.973  -0.319   8.841
  493    HB2  GLN   5           HB2      GLN  69   4.029  -1.464  10.886
  494    HB3  GLN   5           HB3      GLN  69   3.589  -0.504   9.466
  495    HG2  GLN   5           HG2      GLN  69   4.636  -2.233   7.994
  496    HG3  GLN   5           HG3      GLN  69   4.955  -3.230   9.416
  497   HE21  GLN   5          HE21      GLN  69   3.534  -4.540   7.596
  498   HE22  GLN   5          HE22      GLN  69   1.826  -4.573   8.013
  499    H    THR   6           H        THR  70   4.963   1.766   8.966
  500    HA   THR   6           HA       THR  70   5.944   3.527  10.995
  501    HB   THR   6           HB       THR  70   3.672   3.976   9.019
  502    HG1  THR   6           HG1      THR  70   6.450   4.531   8.754
  503   HG21  THR   6          HG21      THR  70   5.476   5.965  10.467
  504   HG22  THR   6          HG22      THR  70   3.717   5.771  10.665
  505   HG23  THR   6          HG23      THR  70   4.368   6.362   9.132
  506    H    ALA   7           H        ALA  71   5.211   3.921  13.014
  507    HA   ALA   7           HA       ALA  71   2.843   2.624  14.016
  508    HB1  ALA   7           HB1      ALA  71   3.538   3.633  16.152
  509    HB2  ALA   7           HB2      ALA  71   4.704   4.672  15.303
  510    HB3  ALA   7           HB3      ALA  71   4.915   2.903  15.314
  511    H    ARG   8           H        ARG  72   3.561   6.041  13.264
  512    HA   ARG   8           HA       ARG  72   1.022   7.043  14.278
  513    HB2  ARG   8           HB2      ARG  72   1.694   9.201  13.392
  514    HB3  ARG   8           HB3      ARG  72   3.002   8.455  14.303
  515    HG2  ARG   8           HG2      ARG  72   4.159   7.845  12.197
  516    HG3  ARG   8           HG3      ARG  72   2.796   8.463  11.253
  517    HD2  ARG   8           HD2      ARG  72   4.550  10.105  11.235
  518    HD3  ARG   8           HD3      ARG  72   3.189  10.728  12.179
  519    HE   ARG   8           HE       ARG  72   5.152   9.399  13.861
  520   HH11  ARG   8          HH11      ARG  72   4.658  12.443  12.199
  521   HH12  ARG   8          HH12      ARG  72   5.699  13.315  13.291
  522   HH21  ARG   8          HH21      ARG  72   6.446  10.575  15.239
  523   HH22  ARG   8          HH22      ARG  72   6.681  12.277  14.967
  524    H    LYS   9           H        LYS  73  -0.602   8.138  13.070
  525    HA   LYS   9           HA       LYS  73  -1.619   6.701  10.774
  526    HB2  LYS   9           HB2      LYS  73  -3.457   8.258  10.810
  527    HB3  LYS   9           HB3      LYS  73  -3.084   7.737  12.450
  528    HG2  LYS   9           HG2      LYS  73  -1.870   9.895  12.844
  529    HG3  LYS   9           HG3      LYS  73  -2.295  10.412  11.201
  530    HD2  LYS   9           HD2      LYS  73  -4.705  10.226  11.767
  531    HD3  LYS   9           HD3      LYS  73  -4.276   9.717  13.416
  532    HE2  LYS   9           HE2      LYS  73  -3.069  11.869  13.761
  533    HE3  LYS   9           HE3      LYS  73  -3.501  12.381  12.124
  534    HZ1  LYS   9           HZ1      LYS  73  -5.039  13.294  13.779
  535    HZ2  LYS   9           HZ2      LYS  73  -5.452  11.811  14.308
  536    HZ3  LYS   9           HZ3      LYS  73  -5.857  12.284  12.795
  537    H    SER  10           H        SER  74  -2.188   7.607   8.704
  538    HA   SER  10           HA       SER  74  -0.676   9.895   7.649
  539    HB2  SER  10           HB2      SER  74   0.961   8.028   7.539
  540    HB3  SER  10           HB3      SER  74  -0.194   7.084   6.585
  541    HG   SER  10           HG       SER  74   1.352   8.216   5.281
  542    H    THR  11           H        THR  75  -1.338  10.513   5.511
  543    HA   THR  11           HA       THR  75  -3.565   9.228   4.179
  544    HB   THR  11           HB       THR  75  -4.733  10.409   6.051
  545    HG1  THR  11           HG1      THR  75  -5.948  10.090   4.274
  546   HG21  THR  11          HG21      THR  75  -3.276  12.421   6.225
  547   HG22  THR  11          HG22      THR  75  -4.992  12.825   6.021
  548   HG23  THR  11          HG23      THR  75  -3.876  12.976   4.651
  549    H    GLY  12           H        GLY  76  -4.170  10.335   2.167
  550    HA2  GLY  12           HA2      GLY  76  -2.756  12.549   1.043
  551    HA3  GLY  12           HA3      GLY  76  -1.944  11.056   0.567
  Start of MODEL   17
    1    H1   GLY 811           H1       GLY   1  21.207  11.447  18.978
    2    H2   GLY 811           H2       GLY   1  19.907  10.506  19.282
    3    H3   GLY 811           H3       GLY   1  20.422  10.709  17.744
    4    HA2  GLY 811           HA2      GLY   1  21.904   9.290  19.882
    5    HA3  GLY 811           HA3      GLY   1  21.050   8.518  18.543
    6    HA   PRO 812           HA       PRO   2  25.199  10.547  16.995
    7    HB2  PRO 812           HB2      PRO   2  26.929   9.391  19.166
    8    HB3  PRO 812           HB3      PRO   2  27.057  10.981  18.355
    9    HG2  PRO 812           HG2      PRO   2  26.101  10.822  20.857
   10    HG3  PRO 812           HG3      PRO   2  25.275  11.876  19.659
   11    HD2  PRO 812           HD2      PRO   2  24.531   9.037  20.467
   12    HD3  PRO 812           HD3      PRO   2  23.498  10.496  20.408
   13    H    LEU 813           H        LEU   3  27.196   9.587  16.092
   14    HA   LEU 813           HA       LEU   3  26.774   7.101  14.863
   15    HB2  LEU 813           HB2      LEU   3  28.176   8.820  13.945
   16    HB3  LEU 813           HB3      LEU   3  29.292   8.769  15.299
   17    HG   LEU 813           HG       LEU   3  28.927   6.243  13.695
   18   HD11  LEU 813          HD11      LEU   3  30.614   8.605  12.774
   19   HD12  LEU 813          HD12      LEU   3  29.144   8.007  11.982
   20   HD13  LEU 813          HD13      LEU   3  30.586   6.982  12.040
   21   HD21  LEU 813          HD21      LEU   3  31.388   7.548  14.900
   22   HD22  LEU 813          HD22      LEU   3  31.303   5.960  14.102
   23   HD23  LEU 813          HD23      LEU   3  30.458   6.214  15.623
   24    H    GLY 814           H        GLY   4  27.363   5.013  15.279
   25    HA2  GLY 814           HA2      GLY   4  28.196   3.160  16.496
   26    HA3  GLY 814           HA3      GLY   4  28.821   4.240  17.747
   27    H    SER 815           H        SER   5  25.874   5.500  17.535
   28    HA   SER 815           HA       SER   5  24.372   3.347  18.969
   29    HB2  SER 815           HB2      SER   5  23.905   6.286  19.394
   30    HB3  SER 815           HB3      SER   5  23.447   4.953  20.456
   31    HG   SER 815           HG       SER   5  25.223   6.073  21.357
   32    H    VAL 816           H        VAL   6  24.374   4.610  16.021
   33    HA   VAL 816           HA       VAL   6  21.541   5.380  15.876
   34    HB   VAL 816           HB       VAL   6  23.879   5.178  13.981
   35   HG11  VAL 816          HG11      VAL   6  22.168   4.367  12.636
   36   HG12  VAL 816          HG12      VAL   6  22.342   6.113  12.266
   37   HG13  VAL 816          HG13      VAL   6  20.996   5.555  13.311
   38   HG21  VAL 816          HG21      VAL   6  21.851   7.317  14.652
   39   HG22  VAL 816          HG22      VAL   6  23.438   7.516  13.812
   40   HG23  VAL 816          HG23      VAL   6  23.393   7.127  15.530
   41    H    GLN 817           H        GLN   7  20.077   3.937  15.921
   42    HA   GLN 817           HA       GLN   7  20.585   1.149  14.978
   43    HB2  GLN 817           HB2      GLN   7  19.131   0.469  16.939
   44    HB3  GLN 817           HB3      GLN   7  20.813   0.908  17.270
   45    HG2  GLN 817           HG2      GLN   7  20.199   3.103  18.072
   46    HG3  GLN 817           HG3      GLN   7  18.526   2.891  17.664
   47   HE21  GLN 817          HE21      GLN   7  19.083   3.723  20.143
   48   HE22  GLN 817          HE22      GLN   7  19.065   2.443  21.339
   49    H    HIS 818           H        HIS   8  19.566   1.225  13.137
   50    HA   HIS 818           HA       HIS   8  17.044   2.639  12.883
   51    HB2  HIS 818           HB2      HIS   8  18.835   1.123  11.003
   52    HB3  HIS 818           HB3      HIS   8  17.181   1.540  10.532
   53    HD2  HIS 818           HD2      HIS   8  20.108   3.573  12.087
   54    HE1  HIS 818           HE1      HIS   8  17.624   6.228   9.866
   55    HE2  HIS 818           HE2      HIS   8  19.660   6.091  11.351
   56    H    VAL 819           H        VAL   9  16.281   1.177  14.725
   57    HA   VAL 819           HA       VAL   9  15.314  -1.437  14.530
   58    HB   VAL 819           HB       VAL   9  14.171   0.946  15.973
   59   HG11  VAL 819          HG11      VAL   9  13.713  -2.037  16.408
   60   HG12  VAL 819          HG12      VAL   9  12.485  -0.872  15.842
   61   HG13  VAL 819          HG13      VAL   9  13.159  -0.728  17.474
   62   HG21  VAL 819          HG21      VAL   9  16.487   0.426  16.635
   63   HG22  VAL 819          HG22      VAL   9  16.062  -1.284  16.840
   64   HG23  VAL 819          HG23      VAL   9  15.368  -0.042  17.904
   65    H    GLY 820           H        GLY  10  14.349  -2.295  12.846
   66    HA2  GLY 820           HA2      GLY  10  12.352  -2.647  11.544
   67    HA3  GLY 820           HA3      GLY  10  12.080  -0.944  11.441
   68    H    PHE 821           H        PHE  11  15.439  -1.617  10.864
   69    HA   PHE 821           HA       PHE  11  15.003  -2.080   7.952
   70    HB2  PHE 821           HB2      PHE  11  16.765   0.112   9.044
   71    HB3  PHE 821           HB3      PHE  11  16.603  -0.332   7.368
   72    HD1  PHE 821           HD1      PHE  11  14.598   0.297   6.071
   73    HD2  PHE 821           HD2      PHE  11  14.978   1.371  10.226
   74    HE1  PHE 821           HE1      PHE  11  12.795   1.998   5.805
   75    HE2  PHE 821           HE2      PHE  11  13.205   3.077   9.953
   76    HZ   PHE 821           HZ       PHE  11  12.092   3.382   7.745
   77    H    LYS 822           H        LYS  12  15.957  -3.942   7.684
   78    HA   LYS 822           HA       LYS  12  18.174  -4.902   9.257
   79    HB2  LYS 822           HB2      LYS  12  16.210  -6.277   8.644
   80    HB3  LYS 822           HB3      LYS  12  16.563  -6.028   6.954
   81    HG2  LYS 822           HG2      LYS  12  18.768  -7.311   7.360
   82    HG3  LYS 822           HG3      LYS  12  18.165  -7.789   8.892
   83    HD2  LYS 822           HD2      LYS  12  16.566  -8.175   6.392
   84    HD3  LYS 822           HD3      LYS  12  17.819  -9.339   6.836
   85    HE2  LYS 822           HE2      LYS  12  16.678  -9.663   8.991
   86    HE3  LYS 822           HE3      LYS  12  15.359  -8.589   8.506
   87    HZ1  LYS 822           HZ1      LYS  12  14.769 -10.930   8.099
   88    HZ2  LYS 822           HZ2      LYS  12  16.080 -11.169   7.160
   89    HZ3  LYS 822           HZ3      LYS  12  14.879 -10.177   6.659
   90    H    CYS 823           H        CYS  13  20.239  -5.571   8.538
   91    HA   CYS 823           HA       CYS  13  21.375  -4.425   6.085
   92    HB2  CYS 823           HB2      CYS  13  22.822  -4.683   8.063
   93    HB3  CYS 823           HB3      CYS  13  22.460  -6.412   8.111
   94    H    ASP 824           H        ASP  14  20.720  -5.390   4.110
   95    HA   ASP 824           HA       ASP  14  19.695  -8.060   3.958
   96    HB2  ASP 824           HB2      ASP  14  20.854  -6.349   1.731
   97    HB3  ASP 824           HB3      ASP  14  19.936  -7.825   1.499
   98    H    ASN 825           H        ASN  15  22.984  -7.106   4.191
   99    HA   ASN 825           HA       ASN  15  24.039  -9.337   2.572
  100    HB2  ASN 825           HB2      ASN  15  25.149  -7.099   2.543
  101    HB3  ASN 825           HB3      ASN  15  25.495  -7.290   4.260
  102   HD21  ASN 825          HD21      ASN  15  27.505  -8.004   4.688
  103   HD22  ASN 825          HD22      ASN  15  28.396  -9.144   3.667
  104    H    CYS 826           H        CYS  16  24.217  -8.424   6.096
  105    HA   CYS 826           HA       CYS  16  24.866 -11.253   6.727
  106    HB2  CYS 826           HB2      CYS  16  25.840 -10.435   8.745
  107    HB3  CYS 826           HB3      CYS  16  26.523  -9.571   7.377
  108    H    GLY 827           H        GLY  17  22.225  -9.086   6.880
  109    HA2  GLY 827           HA2      GLY  17  20.076  -9.541   7.415
  110    HA3  GLY 827           HA3      GLY  17  20.504 -11.100   8.016
  111    H    ILE 828           H        ILE  18  22.174  -8.409   9.605
  112    HA   ILE 828           HA       ILE  18  20.717  -8.725  12.081
  113    HB   ILE 828           HB       ILE  18  22.866  -7.868  12.331
  114   HG12  ILE 828          HG12      ILE  18  21.265  -5.327  12.699
  115   HG13  ILE 828          HG13      ILE  18  20.806  -6.760  13.588
  116   HG21  ILE 828          HG21      ILE  18  22.273  -5.430  10.587
  117   HG22  ILE 828          HG22      ILE  18  23.248  -6.820  10.097
  118   HG23  ILE 828          HG23      ILE  18  23.794  -5.813  11.419
  119   HD11  ILE 828          HD11      ILE  18  23.530  -5.412  13.721
  120   HD12  ILE 828          HD12      ILE  18  23.074  -6.911  14.570
  121   HD13  ILE 828          HD13      ILE  18  22.255  -5.385  14.958
  122    H    GLU 829           H        GLU  19  18.648  -8.359  12.234
  123    HA   GLU 829           HA       GLU  19  17.198  -6.910  10.399
  124    HB2  GLU 829           HB2      GLU  19  15.714  -7.390  12.858
  125    HB3  GLU 829           HB3      GLU  19  15.285  -7.627  11.193
  126    HG2  GLU 829           HG2      GLU  19  15.352  -9.790  11.982
  127    HG3  GLU 829           HG3      GLU  19  16.912  -9.636  11.194
  128    HA   PRO 830           HA       PRO  20  17.506  -2.993  11.572
  129    HB2  PRO 830           HB2      PRO  20  17.364  -1.919  13.906
  130    HB3  PRO 830           HB3      PRO  20  16.052  -3.050  13.364
  131    HG2  PRO 830           HG2      PRO  20  18.366  -3.567  15.184
  132    HG3  PRO 830           HG3      PRO  20  16.667  -4.056  15.393
  133    HD2  PRO 830           HD2      PRO  20  18.809  -5.596  14.246
  134    HD3  PRO 830           HD3      PRO  20  17.074  -5.964  14.085
  135    H    ILE 831           H        ILE  21  19.186  -1.856  10.853
  136    HA   ILE 831           HA       ILE  21  21.843  -2.601  11.605
  137    HB   ILE 831           HB       ILE  21  20.743  -0.342   9.921
  138   HG12  ILE 831          HG12      ILE  21  22.375  -2.631   8.851
  139   HG13  ILE 831          HG13      ILE  21  20.757  -3.061   9.411
  140   HG21  ILE 831          HG21      ILE  21  22.887   0.434  10.653
  141   HG22  ILE 831          HG22      ILE  21  23.137  -0.251   9.044
  142   HG23  ILE 831          HG23      ILE  21  23.625  -1.175  10.470
  143   HD11  ILE 831          HD11      ILE  21  21.303  -0.760   7.478
  144   HD12  ILE 831          HD12      ILE  21  19.739  -1.473   7.877
  145   HD13  ILE 831          HD13      ILE  21  20.932  -2.415   6.963
  146    H    GLN 832           H        GLN  22  22.620  -2.254  13.556
  147    HA   GLN 832           HA       GLN  22  22.444   0.346  14.864
  148    HB2  GLN 832           HB2      GLN  22  23.827  -2.139  15.858
  149    HB3  GLN 832           HB3      GLN  22  23.467  -0.653  16.746
  150    HG2  GLN 832           HG2      GLN  22  20.923  -1.343  15.830
  151    HG3  GLN 832           HG3      GLN  22  21.651  -2.929  15.912
  152   HE21  GLN 832          HE21      GLN  22  19.385  -1.913  17.515
  153   HE22  GLN 832          HE22      GLN  22  19.944  -1.922  19.178
  154    H    GLY 833           H        GLY  23  24.155   1.679  15.374
  155    HA2  GLY 833           HA2      GLY  23  26.555   2.254  15.464
  156    HA3  GLY 833           HA3      GLY  23  26.796   1.326  14.006
  157    H    VAL 834           H        VAL  24  25.772   1.949  12.107
  158    HA   VAL 834           HA       VAL  24  24.576   4.585  11.726
  159    HB   VAL 834           HB       VAL  24  25.973   5.075   9.779
  160   HG11  VAL 834          HG11      VAL  24  27.873   6.008  10.927
  161   HG12  VAL 834          HG12      VAL  24  27.592   4.968  12.321
  162   HG13  VAL 834          HG13      VAL  24  26.386   6.216  11.888
  163   HG21  VAL 834          HG21      VAL  24  27.880   2.953  10.723
  164   HG22  VAL 834          HG22      VAL  24  28.229   4.187   9.489
  165   HG23  VAL 834          HG23      VAL  24  26.990   2.991   9.165
  166    H    ARG 835           H        ARG  25  23.084   4.456  10.024
  167    HA   ARG 835           HA       ARG  25  22.788   1.796   8.707
  168    HB2  ARG 835           HB2      ARG  25  20.781   2.696   9.469
  169    HB3  ARG 835           HB3      ARG  25  21.064   4.271   8.722
  170    HG2  ARG 835           HG2      ARG  25  20.766   3.295   6.473
  171    HG3  ARG 835           HG3      ARG  25  20.585   1.667   7.180
  172    HD2  ARG 835           HD2      ARG  25  18.605   2.368   8.398
  173    HD3  ARG 835           HD3      ARG  25  18.844   4.059   7.878
  174    HE   ARG 835           HE       ARG  25  18.481   2.187   5.651
  175   HH11  ARG 835          HH11      ARG  25  16.801   2.187   4.527
  176   HH12  ARG 835          HH12      ARG  25  15.314   3.040   4.966
  177   HH21  ARG 835          HH21      ARG  25  16.627   3.922   8.087
  178   HH22  ARG 835          HH22      ARG  25  15.209   3.923   7.082
  179    H    TRP 836           H        TRP  26  23.535   1.228   6.759
  180    HA   TRP 836           HA       TRP  26  24.472   3.350   4.880
  181    HB2  TRP 836           HB2      TRP  26  25.189   0.495   5.463
  182    HB3  TRP 836           HB3      TRP  26  25.382   1.020   3.873
  183    HD1  TRP 836           HD1      TRP  26  26.914   0.961   7.185
  184    HE1  TRP 836           HE1      TRP  26  29.283   1.966   7.090
  185    HE3  TRP 836           HE3      TRP  26  26.520   3.539   2.792
  186    HZ2  TRP 836           HZ2      TRP  26  30.712   3.865   5.457
  187    HZ3  TRP 836           HZ3      TRP  26  28.443   4.872   1.936
  188    HH2  TRP 836           HH2      TRP  26  30.527   5.060   3.270
  189    H    HIS 837           H        HIS  27  22.512   4.036   4.008
  190    HA   HIS 837           HA       HIS  27  20.352   2.172   3.257
  191    HB2  HIS 837           HB2      HIS  27  19.773   4.333   4.121
  192    HB3  HIS 837           HB3      HIS  27  20.838   5.156   2.978
  193    HD2  HIS 837           HD2      HIS  27  19.634   6.243   1.010
  194    HE1  HIS 837           HE1      HIS  27  16.147   3.787   0.810
  195    HE2  HIS 837           HE2      HIS  27  17.308   5.831  -0.176
  196    H    CYS 838           H        CYS  28  19.765   1.443   1.157
  197    HA   CYS 838           HA       CYS  28  21.694   1.904  -0.980
  198    HB2  CYS 838           HB2      CYS  28  19.338   0.150  -0.460
  199    HB3  CYS 838           HB3      CYS  28  19.664   0.474  -2.097
  200    H    GLN 839           H        GLN  29  21.671   3.782  -1.880
  201    HA   GLN 839           HA       GLN  29  19.726   5.822  -1.892
  202    HB2  GLN 839           HB2      GLN  29  22.142   5.227  -3.647
  203    HB3  GLN 839           HB3      GLN  29  21.318   6.696  -3.791
  204    HG2  GLN 839           HG2      GLN  29  21.736   6.859  -1.134
  205    HG3  GLN 839           HG3      GLN  29  23.034   5.736  -1.520
  206   HE21  GLN 839          HE21      GLN  29  24.966   6.976  -1.622
  207   HE22  GLN 839          HE22      GLN  29  25.016   8.586  -2.292
  208    H    ASP 840           H        ASP  30  19.771   3.065  -3.965
  209    HA   ASP 840           HA       ASP  30  18.301   4.498  -6.133
  210    HB2  ASP 840           HB2      ASP  30  20.488   2.464  -6.219
  211    HB3  ASP 840           HB3      ASP  30  19.437   2.686  -7.611
  212    H    CYS 841           H        CYS  31  18.325   1.644  -4.011
  213    HA   CYS 841           HA       CYS  31  16.431   0.194  -5.561
  214    HB2  CYS 841           HB2      CYS  31  16.758  -0.425  -2.680
  215    HB3  CYS 841           HB3      CYS  31  16.502  -1.419  -3.942
  216    HA   PRO 842           HA       PRO  32  12.729   2.326  -4.227
  217    HB2  PRO 842           HB2      PRO  32  10.854   0.692  -5.328
  218    HB3  PRO 842           HB3      PRO  32  12.149   1.375  -6.343
  219    HG2  PRO 842           HG2      PRO  32  12.108  -1.304  -4.925
  220    HG3  PRO 842           HG3      PRO  32  12.366  -1.052  -6.667
  221    HD2  PRO 842           HD2      PRO  32  14.508  -1.268  -5.083
  222    HD3  PRO 842           HD3      PRO  32  14.445  -0.060  -6.396
  223    HA   PRO 843           HA       PRO  33  11.097   0.925  -0.360
  224    HB2  PRO 843           HB2      PRO  33   8.259   0.539  -1.187
  225    HB3  PRO 843           HB3      PRO  33   8.944   1.665   0.014
  226    HG2  PRO 843           HG2      PRO  33   8.008   2.437  -2.435
  227    HG3  PRO 843           HG3      PRO  33   9.397   3.280  -1.642
  228    HD2  PRO 843           HD2      PRO  33   9.404   1.182  -3.816
  229    HD3  PRO 843           HD3      PRO  33  10.401   2.671  -3.682
  230    H    GLU 844           H        GLU  34  10.099  -1.111  -3.057
  231    HA   GLU 844           HA       GLU  34   8.869  -3.212  -1.540
  232    HB2  GLU 844           HB2      GLU  34   8.456  -2.486  -3.951
  233    HB3  GLU 844           HB3      GLU  34  10.021  -3.090  -4.374
  234    HG2  GLU 844           HG2      GLU  34   8.251  -4.635  -5.039
  235    HG3  GLU 844           HG3      GLU  34   9.418  -5.341  -3.940
  236    H    MET 845           H        MET  35  11.963  -2.451  -2.750
  237    HA   MET 845           HA       MET  35  13.396  -4.966  -2.167
  238    HB2  MET 845           HB2      MET  35  12.765  -4.653  -4.473
  239    HB3  MET 845           HB3      MET  35  13.244  -2.992  -4.496
  240    HG2  MET 845           HG2      MET  35  15.462  -3.490  -4.801
  241    HG3  MET 845           HG3      MET  35  15.281  -4.881  -3.742
  242    HE1  MET 845           HE1      MET  35  13.300  -6.895  -4.952
  243    HE2  MET 845           HE2      MET  35  14.961  -7.322  -4.479
  244    HE3  MET 845           HE3      MET  35  14.328  -7.813  -6.066
  245    H    SER 846           H        SER  36  13.022  -2.911  -0.331
  246    HA   SER 846           HA       SER  36  14.938  -0.741  -0.649
  247    HB2  SER 846           HB2      SER  36  14.036  -0.033   1.576
  248    HB3  SER 846           HB3      SER  36  12.893  -0.211   0.231
  249    HG   SER 846           HG       SER  36  11.952  -1.894   1.234
  250    H    LEU 847           H        LEU  37  16.721  -2.247  -0.878
  251    HA   LEU 847           HA       LEU  37  17.848  -3.584   1.307
  252    HB2  LEU 847           HB2      LEU  37  19.034  -2.293  -1.137
  253    HB3  LEU 847           HB3      LEU  37  20.060  -2.864   0.181
  254    HG   LEU 847           HG       LEU  37  18.601  -5.059  -0.165
  255   HD11  LEU 847          HD11      LEU  37  18.540  -5.567  -2.552
  256   HD12  LEU 847          HD12      LEU  37  18.870  -3.836  -2.862
  257   HD13  LEU 847          HD13      LEU  37  17.365  -4.341  -2.031
  258   HD21  LEU 847          HD21      LEU  37  21.050  -4.924  -0.056
  259   HD22  LEU 847          HD22      LEU  37  21.078  -4.249  -1.679
  260   HD23  LEU 847          HD23      LEU  37  20.560  -5.934  -1.434
  261    H    ASP 848           H        ASP  38  19.388  -3.162   2.688
  262    HA   ASP 848           HA       ASP  38  20.567  -0.541   3.086
  263    HB2  ASP 848           HB2      ASP  38  19.231  -1.896   5.445
  264    HB3  ASP 848           HB3      ASP  38  20.109  -0.363   5.426
  265    H    PHE 849           H        PHE  39  22.529  -0.774   4.332
  266    HA   PHE 849           HA       PHE  39  23.365  -3.519   5.035
  267    HB2  PHE 849           HB2      PHE  39  25.082  -1.427   3.718
  268    HB3  PHE 849           HB3      PHE  39  25.667  -2.924   4.397
  269    HD1  PHE 849           HD1      PHE  39  23.352  -4.759   3.261
  270    HD2  PHE 849           HD2      PHE  39  25.902  -1.763   1.482
  271    HE1  PHE 849           HE1      PHE  39  23.012  -5.783   1.019
  272    HE2  PHE 849           HE2      PHE  39  25.652  -2.884  -0.716
  273    HZ   PHE 849           HZ       PHE  39  24.223  -4.886  -0.943
  274    H    CYS 850           H        CYS  40  24.951  -3.673   6.697
  275    HA   CYS 850           HA       CYS  40  24.924  -1.365   8.551
  276    HB2  CYS 850           HB2      CYS  40  25.704  -2.921  10.260
  277    HB3  CYS 850           HB3      CYS  40  24.228  -3.526   9.510
  278    H    ASP 851           H        ASP  41  27.056  -0.860   9.683
  279    HA   ASP 851           HA       ASP  41  28.894  -0.148   7.598
  280    HB2  ASP 851           HB2      ASP  41  28.461   1.220   9.508
  281    HB3  ASP 851           HB3      ASP  41  29.186   0.087  10.617
  282    H    SER 852           H        SER  42  28.748  -2.993   9.533
  283    HA   SER 852           HA       SER  42  31.433  -4.013   9.054
  284    HB2  SER 852           HB2      SER  42  28.737  -5.371   9.406
  285    HB3  SER 852           HB3      SER  42  30.237  -6.232   9.428
  286    HG   SER 852           HG       SER  42  30.833  -5.092  11.348
  287    H    CYS 853           H        CYS  43  28.521  -3.676   7.146
  288    HA   CYS 853           HA       CYS  43  29.358  -5.725   5.212
  289    HB2  CYS 853           HB2      CYS  43  26.692  -4.730   6.196
  290    HB3  CYS 853           HB3      CYS  43  26.830  -5.558   4.645
  291    H    SER 854           H        SER  44  28.909  -2.194   5.300
  292    HA   SER 854           HA       SER  44  27.794  -1.885   2.743
  293    HB2  SER 854           HB2      SER  44  28.499   0.479   2.994
  294    HB3  SER 854           HB3      SER  44  27.686  -0.243   4.382
  295    HG   SER 854           HG       SER  44  29.768   1.001   4.783
  296    H    ASP 855           H        ASP  45  31.002  -2.912   3.275
  297    HA   ASP 855           HA       ASP  45  32.241  -1.824   0.895
  298    HB2  ASP 855           HB2      ASP  45  32.674  -4.480   2.328
  299    HB3  ASP 855           HB3      ASP  45  33.727  -3.814   1.088
  300    H    CYS 856           H        CYS  46  29.569  -3.909   1.290
  301    HA   CYS 856           HA       CYS  46  29.915  -5.575  -1.068
  302    HB2  CYS 856           HB2      CYS  46  28.639  -6.325   0.857
  303    HB3  CYS 856           HB3      CYS  46  27.508  -4.966   0.698
  304    HG   CYS 856           HG       CYS  46  28.042  -7.616  -1.237
  305    H    LEU 857           H        LEU  47  28.979  -5.432  -2.986
  306    HA   LEU 857           HA       LEU  47  27.182  -3.246  -3.770
  307    HB2  LEU 857           HB2      LEU  47  29.521  -2.336  -4.070
  308    HB3  LEU 857           HB3      LEU  47  29.824  -3.635  -5.218
  309    HG   LEU 857           HG       LEU  47  27.838  -2.726  -6.593
  310   HD11  LEU 857          HD11      LEU  47  26.752  -1.366  -4.845
  311   HD12  LEU 857          HD12      LEU  47  27.227  -0.376  -6.225
  312   HD13  LEU 857          HD13      LEU  47  28.196  -0.340  -4.734
  313   HD21  LEU 857          HD21      LEU  47  30.166  -2.312  -7.239
  314   HD22  LEU 857          HD22      LEU  47  30.247  -0.921  -6.137
  315   HD23  LEU 857          HD23      LEU  47  29.174  -0.877  -7.552
  316    H    HIS 858           H        HIS  48  26.044  -5.385  -3.569
  317    HA   HIS 858           HA       HIS  48  26.443  -7.445  -5.578
  318    HB2  HIS 858           HB2      HIS  48  25.588  -7.874  -3.282
  319    HB3  HIS 858           HB3      HIS  48  24.166  -6.919  -3.628
  320    HD2  HIS 858           HD2      HIS  48  22.352  -8.768  -3.417
  321    HE1  HIS 858           HE1      HIS  48  23.946 -11.621  -6.165
  322    HE2  HIS 858           HE2      HIS  48  21.969 -11.069  -4.657
  323    H    GLU 859           H        GLU  49  24.729  -8.212  -6.965
  324    HA   GLU 859           HA       GLU  49  23.306  -6.055  -8.387
  325    HB2  GLU 859           HB2      GLU  49  25.075  -8.102  -9.667
  326    HB3  GLU 859           HB3      GLU  49  24.180  -6.833 -10.447
  327    HG2  GLU 859           HG2      GLU  49  25.675  -5.103  -9.599
  328    HG3  GLU 859           HG3      GLU  49  26.478  -6.238  -8.539
  329    H    THR 860           H        THR  50  21.314  -6.652  -8.134
  330    HA   THR 860           HA       THR  50  20.180  -9.086  -9.223
  331    HB   THR 860           HB       THR  50  20.838  -9.956  -7.052
  332    HG1  THR 860           HG1      THR  50  18.950 -10.801  -7.791
  333   HG21  THR 860          HG21      THR  50  20.797  -7.846  -5.692
  334   HG22  THR 860          HG22      THR  50  19.959  -9.215  -4.946
  335   HG23  THR 860          HG23      THR  50  19.021  -7.922  -5.697
  336    H    ASP 861           H        ASP  51  18.578  -8.513 -10.320
  337    HA   ASP 861           HA       ASP  51  16.892  -7.482 -11.315
  338    HB2  ASP 861           HB2      ASP  51  15.912  -7.164  -8.476
  339    HB3  ASP 861           HB3      ASP  51  14.920  -7.001  -9.921
  340    H    ILE 862           H        ILE  52  17.752  -5.366  -8.662
  341    HA   ILE 862           HA       ILE  52  17.422  -2.879 -10.276
  342    HB   ILE 862           HB       ILE  52  16.162  -3.398  -7.544
  343   HG12  ILE 862          HG12      ILE  52  15.024  -3.289 -10.330
  344   HG13  ILE 862          HG13      ILE  52  14.832  -4.530  -9.110
  345   HG21  ILE 862          HG21      ILE  52  15.244  -1.035  -8.003
  346   HG22  ILE 862          HG22      ILE  52  16.511  -0.916  -9.234
  347   HG23  ILE 862          HG23      ILE  52  16.929  -1.189  -7.522
  348   HD11  ILE 862          HD11      ILE  52  13.466  -1.823  -9.108
  349   HD12  ILE 862          HD12      ILE  52  13.449  -2.965  -7.734
  350   HD13  ILE 862          HD13      ILE  52  12.737  -3.424  -9.291
  351    H    HIS 863           H        HIS  53  18.560  -4.434  -7.276
  352    HA   HIS 863           HA       HIS  53  20.457  -2.293  -6.611
  353    HB2  HIS 863           HB2      HIS  53  19.363  -3.812  -4.964
  354    HB3  HIS 863           HB3      HIS  53  20.150  -5.185  -5.702
  355    HD2  HIS 863           HD2      HIS  53  22.404  -5.862  -4.749
  356    HE1  HIS 863           HE1      HIS  53  23.364  -2.401  -2.495
  357    H    LYS 864           H        LYS  54  22.457  -2.180  -7.557
  358    HA   LYS 864           HA       LYS  54  23.622  -4.201  -9.335
  359    HB2  LYS 864           HB2      LYS  54  22.682  -1.486 -10.347
  360    HB3  LYS 864           HB3      LYS  54  23.630  -2.614 -11.274
  361    HG2  LYS 864           HG2      LYS  54  20.782  -3.065 -10.419
  362    HG3  LYS 864           HG3      LYS  54  21.303  -2.496 -11.995
  363    HD2  LYS 864           HD2      LYS  54  22.519  -4.545 -12.453
  364    HD3  LYS 864           HD3      LYS  54  22.157  -5.203 -10.846
  365    HE2  LYS 864           HE2      LYS  54  19.783  -5.161 -11.277
  366    HE3  LYS 864           HE3      LYS  54  20.012  -4.346 -12.826
  367    HZ1  LYS 864           HZ1      LYS  54  21.174  -6.306 -13.683
  368    HZ2  LYS 864           HZ2      LYS  54  19.682  -6.728 -13.198
  369    HZ3  LYS 864           HZ3      LYS  54  20.979  -7.123 -12.280
  370    H    GLU 865           H        GLU  55  25.607  -3.161 -10.436
  371    HA   GLU 865           HA       GLU  55  27.109  -1.634  -8.564
  372    HB2  GLU 865           HB2      GLU  55  28.720  -1.532 -10.219
  373    HB3  GLU 865           HB3      GLU  55  28.123  -3.152 -10.183
  374    HG2  GLU 865           HG2      GLU  55  27.227  -1.107 -12.280
  375    HG3  GLU 865           HG3      GLU  55  28.715  -2.008 -12.442
  376    H    ASP 866           H        ASP  56  24.610  -0.788 -10.764
  377    HA   ASP 866           HA       ASP  56  25.394   2.034 -11.165
  378    HB2  ASP 866           HB2      ASP  56  22.829   0.524 -11.796
  379    HB3  ASP 866           HB3      ASP  56  23.160   2.193 -12.245
  380    H    HIS 867           H        HIS  57  23.819   0.155  -8.735
  381    HA   HIS 867           HA       HIS  57  22.279   2.332  -7.572
  382    HB2  HIS 867           HB2      HIS  57  21.105   0.503  -6.922
  383    HB3  HIS 867           HB3      HIS  57  22.407  -0.564  -7.346
  384    HD2  HIS 867           HD2      HIS  57  24.504  -0.790  -5.677
  385    HE1  HIS 867           HE1      HIS  57  22.667   0.982  -2.354
  386    H    GLN 868           H        GLN  58  22.851   3.269  -5.570
  387    HA   GLN 868           HA       GLN  58  25.723   3.225  -4.768
  388    HB2  GLN 868           HB2      GLN  58  23.772   5.514  -4.985
  389    HB3  GLN 868           HB3      GLN  58  25.416   5.654  -4.336
  390    HG2  GLN 868           HG2      GLN  58  24.708   4.794  -7.188
  391    HG3  GLN 868           HG3      GLN  58  25.128   6.419  -6.679
  392   HE21  GLN 868          HE21      GLN  58  26.494   3.064  -7.094
  393   HE22  GLN 868          HE22      GLN  58  28.149   3.665  -7.121
  394    H    LEU 869           H        LEU  59  26.376   3.471  -2.583
  395    HA   LEU 869           HA       LEU  59  24.244   3.056  -0.563
  396    HB2  LEU 869           HB2      LEU  59  27.265   2.875  -0.291
  397    HB3  LEU 869           HB3      LEU  59  26.065   2.470   0.924
  398    HG   LEU 869           HG       LEU  59  26.907   0.490   0.109
  399   HD11  LEU 869          HD11      LEU  59  24.562   0.319   0.585
  400   HD12  LEU 869          HD12      LEU  59  24.862  -0.648  -0.876
  401   HD13  LEU 869          HD13      LEU  59  24.132   0.924  -1.024
  402   HD21  LEU 869          HD21      LEU  59  26.212   1.082  -2.759
  403   HD22  LEU 869          HD22      LEU  59  27.020  -0.334  -2.091
  404   HD23  LEU 869          HD23      LEU  59  27.832   1.231  -2.040
  405    H    GLU 870           H        GLU  60  24.086   4.338   1.350
  406    HA   GLU 870           HA       GLU  60  25.647   6.880   1.436
  407    HB2  GLU 870           HB2      GLU  60  23.591   7.397   0.301
  408    HB3  GLU 870           HB3      GLU  60  22.637   6.582   1.513
  409    HG2  GLU 870           HG2      GLU  60  22.351   8.888   1.831
  410    HG3  GLU 870           HG3      GLU  60  23.338   8.329   3.166
  411    HA   PRO 871           HA       PRO  61  25.727   5.562   5.839
  412    HB2  PRO 871           HB2      PRO  61  27.447   7.411   6.766
  413    HB3  PRO 871           HB3      PRO  61  27.983   6.030   5.763
  414    HG2  PRO 871           HG2      PRO  61  27.512   8.901   4.940
  415    HG3  PRO 871           HG3      PRO  61  28.854   7.810   4.479
  416    HD2  PRO 871           HD2      PRO  61  26.599   8.291   2.932
  417    HD3  PRO 871           HD3      PRO  61  27.565   6.799   2.821
  418    H    ILE 872           H        ILE  62  24.338   6.078   7.365
  419    HA   ILE 872           HA       ILE  62  23.280   8.866   7.651
  420    HB   ILE 872           HB       ILE  62  21.842   6.216   7.972
  421   HG12  ILE 872          HG12      ILE  62  21.515   8.437   5.906
  422   HG13  ILE 872          HG13      ILE  62  22.196   6.833   5.621
  423   HG21  ILE 872          HG21      ILE  62  20.820   9.062   8.368
  424   HG22  ILE 872          HG22      ILE  62  21.091   7.861   9.652
  425   HG23  ILE 872          HG23      ILE  62  19.836   7.583   8.466
  426   HD11  ILE 872          HD11      ILE  62  19.298   7.446   6.284
  427   HD12  ILE 872          HD12      ILE  62  19.990   5.805   6.207
  428   HD13  ILE 872          HD13      ILE  62  19.967   6.840   4.767
  429    H    TYR 873           H        TYR  63  24.021   9.757   9.420
  430    HA   TYR 873           HA       TYR  63  24.818   8.124  11.771
  431    HB2  TYR 873           HB2      TYR  63  25.457  11.012  11.123
  432    HB3  TYR 873           HB3      TYR  63  26.053  10.021  12.457
  433    HD1  TYR 873           HD1      TYR  63  27.976  11.480  10.929
  434    HD2  TYR 873           HD2      TYR  63  26.227   7.647  10.041
  435    HE1  TYR 873           HE1      TYR  63  30.011  10.846   9.626
  436    HE2  TYR 873           HE2      TYR  63  28.279   6.978   8.828
  437    HH   TYR 873           HH       TYR  63  30.391   7.627   8.094
  438    H    ARG 874           H        ARG  64  22.103   8.553  11.370
  439    HA   ARG 874           HA       ARG  64  21.399   9.619  13.946
  440    HB2  ARG 874           HB2      ARG  64  19.711  11.294  13.151
  441    HB3  ARG 874           HB3      ARG  64  21.385  11.734  12.892
  442    HG2  ARG 874           HG2      ARG  64  20.211  12.416  10.981
  443    HG3  ARG 874           HG3      ARG  64  21.163  11.036  10.474
  444    HD2  ARG 874           HD2      ARG  64  19.161   9.606  10.614
  445    HD3  ARG 874           HD3      ARG  64  18.200  10.983  11.190
  446    HE   ARG 874           HE       ARG  64  19.372  11.757   8.746
  447   HH11  ARG 874          HH11      ARG  64  18.294  11.723   6.811
  448   HH12  ARG 874          HH12      ARG  64  16.894  10.713   6.604
  449   HH21  ARG 874          HH21      ARG  64  16.994   9.418   9.781
  450   HH22  ARG 874          HH22      ARG  64  16.161   9.438   8.250
  451    H1   ALA   1           H1       ALA  65  16.799  -2.537   3.935
  452    H2   ALA   1           H2       ALA  65  17.556  -3.900   3.392
  453    H3   ALA   1           H3       ALA  65  17.361  -3.671   4.997
  454    HA   ALA   1           HA       ALA  65  15.211  -4.068   3.042
  455    HB1  ALA   1           HB1      ALA  65  16.699  -6.009   4.753
  456    HB2  ALA   1           HB2      ALA  65  15.884  -6.185   3.176
  457    HB3  ALA   1           HB3      ALA  65  14.941  -6.209   4.669
  458    H    ARG   2           H        ARG  66  13.418  -2.855   3.623
  459    HA   ARG   2           HA       ARG  66  12.839  -1.952   6.293
  460    HB2  ARG   2           HB2      ARG  66  11.137  -2.516   3.823
  461    HB3  ARG   2           HB3      ARG  66  10.399  -2.002   5.339
  462    HG2  ARG   2           HG2      ARG  66  11.561   0.077   5.364
  463    HG3  ARG   2           HG3      ARG  66  12.622  -0.392   4.036
  464    HD2  ARG   2           HD2      ARG  66  10.879   1.169   3.284
  465    HD3  ARG   2           HD3      ARG  66  10.756  -0.377   2.459
  466    HE   ARG   2           HE       ARG  66   8.996   0.536   4.719
  467   HH11  ARG   2          HH11      ARG  66   6.904  -0.134   4.749
  468   HH12  ARG   2          HH12      ARG  66   6.284  -1.151   3.486
  469   HH21  ARG   2          HH21      ARG  66   9.225  -1.347   1.717
  470   HH22  ARG   2          HH22      ARG  66   7.564  -1.844   1.853
  471    H    THR   3           H        THR  67  12.060  -2.916   8.051
  472    HA   THR   3           HA       THR  67  10.685  -5.579   7.849
  473    HB   THR   3           HB       THR  67  11.740  -6.207   9.977
  474    HG1  THR   3           HG1      THR  67  13.513  -4.980  10.687
  475   HG21  THR   3          HG21      THR  67  12.836  -6.780   7.751
  476   HG22  THR   3          HG22      THR  67  13.923  -6.715   9.157
  477   HG23  THR   3          HG23      THR  67  13.881  -5.356   8.006
  478    H    LYS   4           H        LYS  68  10.018  -2.424   8.673
  479    HA   LYS   4           HA       LYS  68   8.395  -2.833  11.053
  480    HB2  LYS   4           HB2      LYS  68   8.195  -0.697   8.878
  481    HB3  LYS   4           HB3      LYS  68   7.315  -0.700  10.409
  482    HG2  LYS   4           HG2      LYS  68   9.520  -0.719  11.633
  483    HG3  LYS   4           HG3      LYS  68  10.333  -0.523  10.065
  484    HD2  LYS   4           HD2      LYS  68   9.116   1.599   9.688
  485    HD3  LYS   4           HD3      LYS  68   8.298   1.411  11.258
  486    HE2  LYS   4           HE2      LYS  68  10.533   1.401  12.388
  487    HE3  LYS   4           HE3      LYS  68  11.314   1.656  10.824
  488    HZ1  LYS   4           HZ1      LYS  68   9.382   3.539  12.111
  489    HZ2  LYS   4           HZ2      LYS  68  10.090   3.792  10.658
  490    HZ3  LYS   4           HZ3      LYS  68  10.995   3.765  12.023
  491    H    GLN   5           H        GLN  69   6.381  -3.625  11.273
  492    HA   GLN   5           HA       GLN  69   5.195  -5.055   9.054
  493    HB2  GLN   5           HB2      GLN  69   3.662  -5.958  10.618
  494    HB3  GLN   5           HB3      GLN  69   5.264  -5.927  11.351
  495    HG2  GLN   5           HG2      GLN  69   4.580  -3.836  12.610
  496    HG3  GLN   5           HG3      GLN  69   2.956  -4.009  11.933
  497   HE21  GLN   5          HE21      GLN  69   3.091  -3.950  14.657
  498   HE22  GLN   5          HE22      GLN  69   2.845  -5.566  15.296
  499    H    THR   6           H        THR  70   3.129  -4.878   8.147
  500    HA   THR   6           HA       THR  70   2.114  -2.183   7.687
  501    HB   THR   6           HB       THR  70   0.384  -3.390   6.321
  502    HG1  THR   6           HG1      THR  70   0.324  -5.392   7.329
  503   HG21  THR   6          HG21      THR  70   2.497  -2.612   5.304
  504   HG22  THR   6          HG22      THR  70   1.918  -4.114   4.559
  505   HG23  THR   6          HG23      THR  70   3.268  -4.165   5.707
  506    H    ALA   7           H        ALA  71  -0.021  -1.452   8.080
  507    HA   ALA   7           HA       ALA  71  -1.759  -0.918   9.405
  508    HB1  ALA   7           HB1      ALA  71  -2.613  -2.806   8.082
  509    HB2  ALA   7           HB2      ALA  71  -3.430  -2.660   9.648
  510    HB3  ALA   7           HB3      ALA  71  -2.203  -3.923   9.405
  511    H    ARG   8           H        ARG  72   0.647  -1.055  10.915
  512    HA   ARG   8           HA       ARG  72   0.282  -2.356  13.439
  513    HB2  ARG   8           HB2      ARG  72   2.240  -1.171  14.158
  514    HB3  ARG   8           HB3      ARG  72   2.466  -1.693  12.491
  515    HG2  ARG   8           HG2      ARG  72   1.890   0.651  11.726
  516    HG3  ARG   8           HG3      ARG  72   1.801   1.138  13.429
  517    HD2  ARG   8           HD2      ARG  72   4.187   0.410  13.723
  518    HD3  ARG   8           HD3      ARG  72   4.242  -0.014  12.020
  519    HE   ARG   8           HE       ARG  72   4.254   2.234  11.391
  520   HH11  ARG   8          HH11      ARG  72   3.887   2.112  14.882
  521   HH12  ARG   8          HH12      ARG  72   4.238   3.807  15.065
  522   HH21  ARG   8          HH21      ARG  72   4.677   4.382  11.695
  523   HH22  ARG   8          HH22      ARG  72   4.675   5.060  13.295
  524    H    LYS   9           H        LYS  73  -0.973   0.697  12.371
  525    HA   LYS   9           HA       LYS  73  -1.451   1.875  14.979
  526    HB2  LYS   9           HB2      LYS  73  -1.209   3.139  12.837
  527    HB3  LYS   9           HB3      LYS  73  -2.753   2.475  12.288
  528    HG2  LYS   9           HG2      LYS  73  -3.922   3.614  14.148
  529    HG3  LYS   9           HG3      LYS  73  -2.369   4.200  14.778
  530    HD2  LYS   9           HD2      LYS  73  -2.022   5.501  12.675
  531    HD3  LYS   9           HD3      LYS  73  -3.529   4.852  12.032
  532    HE2  LYS   9           HE2      LYS  73  -4.022   7.044  12.782
  533    HE3  LYS   9           HE3      LYS  73  -4.785   5.927  13.915
  534    HZ1  LYS   9           HZ1      LYS  73  -3.628   7.764  15.050
  535    HZ2  LYS   9           HZ2      LYS  73  -2.199   7.345  14.390
  536    HZ3  LYS   9           HZ3      LYS  73  -2.930   6.354  15.469
  537    H    SER  10           H        SER  74  -3.315   1.972  16.196
  538    HA   SER  10           HA       SER  74  -5.790   0.606  15.376
  539    HB2  SER  10           HB2      SER  74  -4.503  -1.243  16.326
  540    HB3  SER  10           HB3      SER  74  -4.179  -0.299  17.791
  541    HG   SER  10           HG       SER  74  -5.979  -1.836  17.921
  542    H    THR  11           H        THR  75  -7.596   1.159  16.628
  543    HA   THR  11           HA       THR  75  -7.535   3.742  17.983
  544    HB   THR  11           HB       THR  75  -9.414   2.958  16.554
  545    HG1  THR  11           HG1      THR  75  -9.824   4.596  18.013
  546   HG21  THR  11          HG21      THR  75 -11.116   1.461  17.438
  547   HG22  THR  11          HG22      THR  75 -10.177   1.172  18.907
  548   HG23  THR  11          HG23      THR  75  -9.582   0.587  17.336
  549    H    GLY  12           H        GLY  76  -7.180   0.456  19.046
  550    HA2  GLY  12           HA2      GLY  76  -6.666  -0.457  21.105
  551    HA3  GLY  12           HA3      GLY  76  -6.545   1.170  21.768
  Start of MODEL   18
    1    H1   GLY 811           H1       GLY   1  25.537   7.941  22.496
    2    H2   GLY 811           H2       GLY   1  26.979   8.551  22.977
    3    H3   GLY 811           H3       GLY   1  26.904   7.534  21.693
    4    HA2  GLY 811           HA2      GLY   1  25.743  10.262  21.807
    5    HA3  GLY 811           HA3      GLY   1  27.223   9.804  20.933
    6    HA   PRO 812           HA       PRO   2  24.111   8.898  17.693
    7    HB2  PRO 812           HB2      PRO   2  25.358  10.591  15.792
    8    HB3  PRO 812           HB3      PRO   2  23.917  10.941  16.763
    9    HG2  PRO 812           HG2      PRO   2  26.351  12.287  16.995
   10    HG3  PRO 812           HG3      PRO   2  24.987  12.337  18.140
   11    HD2  PRO 812           HD2      PRO   2  27.469  10.622  18.294
   12    HD3  PRO 812           HD3      PRO   2  26.587  11.487  19.586
   13    H    LEU 813           H        LEU   3  27.319   9.566  16.226
   14    HA   LEU 813           HA       LEU   3  27.008   7.193  14.745
   15    HB2  LEU 813           HB2      LEU   3  28.226   9.099  13.904
   16    HB3  LEU 813           HB3      LEU   3  29.444   8.986  15.164
   17    HG   LEU 813           HG       LEU   3  29.085   6.603  13.345
   18   HD11  LEU 813          HD11      LEU   3  30.565   9.137  12.542
   19   HD12  LEU 813          HD12      LEU   3  29.081   8.504  11.799
   20   HD13  LEU 813          HD13      LEU   3  30.583   7.586  11.661
   21   HD21  LEU 813          HD21      LEU   3  31.571   7.924  14.498
   22   HD22  LEU 813          HD22      LEU   3  31.500   6.420  13.549
   23   HD23  LEU 813          HD23      LEU   3  30.769   6.481  15.147
   24    H    GLY 814           H        GLY   4  27.605   5.132  15.041
   25    HA2  GLY 814           HA2      GLY   4  28.641   3.242  16.006
   26    HA3  GLY 814           HA3      GLY   4  29.543   4.284  17.108
   27    H    SER 815           H        SER   5  26.321   5.259  17.345
   28    HA   SER 815           HA       SER   5  25.471   3.089  19.203
   29    HB2  SER 815           HB2      SER   5  24.828   5.992  19.656
   30    HB3  SER 815           HB3      SER   5  24.677   4.671  20.815
   31    HG   SER 815           HG       SER   5  26.968   4.600  20.971
   32    H    VAL 816           H        VAL   6  24.736   5.065  16.563
   33    HA   VAL 816           HA       VAL   6  21.925   5.332  16.815
   34    HB   VAL 816           HB       VAL   6  24.065   5.722  14.849
   35   HG11  VAL 816          HG11      VAL   6  22.751   4.326  13.356
   36   HG12  VAL 816          HG12      VAL   6  22.695   6.057  12.908
   37   HG13  VAL 816          HG13      VAL   6  21.297   5.317  13.716
   38   HG21  VAL 816          HG21      VAL   6  21.451   7.128  15.294
   39   HG22  VAL 816          HG22      VAL   6  22.977   7.733  14.569
   40   HG23  VAL 816          HG23      VAL   6  22.932   7.364  16.291
   41    H    GLN 817           H        GLN   7  20.244   4.136  15.859
   42    HA   GLN 817           HA       GLN   7  20.839   1.390  14.982
   43    HB2  GLN 817           HB2      GLN   7  19.517   0.461  16.949
   44    HB3  GLN 817           HB3      GLN   7  21.202   0.913  17.147
   45    HG2  GLN 817           HG2      GLN   7  20.627   3.012  18.251
   46    HG3  GLN 817           HG3      GLN   7  18.935   2.761  18.013
   47   HE21  GLN 817          HE21      GLN   7  20.072   3.315  20.492
   48   HE22  GLN 817          HE22      GLN   7  20.135   1.893  21.514
   49    H    HIS 818           H        HIS   8  19.663   1.207  13.349
   50    HA   HIS 818           HA       HIS   8  17.040   2.490  13.143
   51    HB2  HIS 818           HB2      HIS   8  18.870   0.986  11.258
   52    HB3  HIS 818           HB3      HIS   8  17.210   1.377  10.818
   53    HD2  HIS 818           HD2      HIS   8  20.222   3.469  12.227
   54    HE1  HIS 818           HE1      HIS   8  17.639   6.056  10.025
   55    HE2  HIS 818           HE2      HIS   8  19.733   5.961  11.426
   56    H    VAL 819           H        VAL   9  16.635   1.016  15.136
   57    HA   VAL 819           HA       VAL   9  15.652  -1.618  15.030
   58    HB   VAL 819           HB       VAL   9  14.794   0.769  16.642
   59   HG11  VAL 819          HG11      VAL   9  12.959  -0.913  16.654
   60   HG12  VAL 819          HG12      VAL   9  13.811  -0.886  18.202
   61   HG13  VAL 819          HG13      VAL   9  14.142  -2.191  17.041
   62   HG21  VAL 819          HG21      VAL   9  17.121   0.050  17.004
   63   HG22  VAL 819          HG22      VAL   9  16.581  -1.627  17.249
   64   HG23  VAL 819          HG23      VAL   9  16.121  -0.352  18.396
   65    H    GLY 820           H        GLY  10  14.615  -2.350  13.327
   66    HA2  GLY 820           HA2      GLY  10  12.379  -2.604  12.276
   67    HA3  GLY 820           HA3      GLY  10  12.299  -0.850  12.160
   68    H    PHE 821           H        PHE  11  15.517  -1.710  11.321
   69    HA   PHE 821           HA       PHE  11  14.779  -2.313   8.491
   70    HB2  PHE 821           HB2      PHE  11  16.646  -0.082   9.307
   71    HB3  PHE 821           HB3      PHE  11  16.330  -0.600   7.675
   72    HD1  PHE 821           HD1      PHE  11  14.222  -0.007   6.535
   73    HD2  PHE 821           HD2      PHE  11  14.979   1.222  10.596
   74    HE1  PHE 821           HE1      PHE  11  12.412   1.706   6.370
   75    HE2  PHE 821           HE2      PHE  11  13.209   2.945  10.412
   76    HZ   PHE 821           HZ       PHE  11  11.913   3.177   8.296
   77    H    LYS 822           H        LYS  12  15.705  -4.146   8.094
   78    HA   LYS 822           HA       LYS  12  18.033  -5.134   9.436
   79    HB2  LYS 822           HB2      LYS  12  16.104  -6.516   8.845
   80    HB3  LYS 822           HB3      LYS  12  16.324  -6.146   7.150
   81    HG2  LYS 822           HG2      LYS  12  18.635  -7.339   7.444
   82    HG3  LYS 822           HG3      LYS  12  17.967  -8.013   8.905
   83    HD2  LYS 822           HD2      LYS  12  16.655  -8.158   6.182
   84    HD3  LYS 822           HD3      LYS  12  17.810  -9.370   6.728
   85    HE2  LYS 822           HE2      LYS  12  16.440  -9.887   8.655
   86    HE3  LYS 822           HE3      LYS  12  15.203  -8.707   8.183
   87    HZ1  LYS 822           HZ1      LYS  12  14.590 -10.963   7.468
   88    HZ2  LYS 822           HZ2      LYS  12  15.956 -11.140   6.603
   89    HZ3  LYS 822           HZ3      LYS  12  14.827 -10.043   6.144
   90    H    CYS 823           H        CYS  13  20.109  -5.646   8.609
   91    HA   CYS 823           HA       CYS  13  21.130  -4.400   6.147
   92    HB2  CYS 823           HB2      CYS  13  22.662  -4.656   8.052
   93    HB3  CYS 823           HB3      CYS  13  22.304  -6.378   8.131
   94    H    ASP 824           H        ASP  14  20.542  -5.351   4.152
   95    HA   ASP 824           HA       ASP  14  19.513  -8.019   3.970
   96    HB2  ASP 824           HB2      ASP  14  20.657  -6.257   1.771
   97    HB3  ASP 824           HB3      ASP  14  19.744  -7.739   1.510
   98    H    ASN 825           H        ASN  15  22.802  -7.058   4.192
   99    HA   ASN 825           HA       ASN  15  23.839  -9.250   2.500
  100    HB2  ASN 825           HB2      ASN  15  24.924  -7.012   2.447
  101    HB3  ASN 825           HB3      ASN  15  25.301  -7.183   4.158
  102   HD21  ASN 825          HD21      ASN  15  27.335  -7.832   4.547
  103   HD22  ASN 825          HD22      ASN  15  28.236  -8.957   3.528
  104    H    CYS 826           H        CYS  16  24.060  -8.381   6.029
  105    HA   CYS 826           HA       CYS  16  24.774 -11.211   6.601
  106    HB2  CYS 826           HB2      CYS  16  25.768 -10.439   8.612
  107    HB3  CYS 826           HB3      CYS  16  26.410  -9.512   7.262
  108    H    GLY 827           H        GLY  17  22.085  -9.092   6.815
  109    HA2  GLY 827           HA2      GLY  17  19.971  -9.560   7.438
  110    HA3  GLY 827           HA3      GLY  17  20.433 -11.120   8.018
  111    H    ILE 828           H        ILE  18  22.192  -8.428   9.521
  112    HA   ILE 828           HA       ILE  18  20.801  -8.755  12.055
  113    HB   ILE 828           HB       ILE  18  23.023  -7.934  12.208
  114   HG12  ILE 828          HG12      ILE  18  21.430  -5.415  12.772
  115   HG13  ILE 828          HG13      ILE  18  21.016  -6.887  13.612
  116   HG21  ILE 828          HG21      ILE  18  23.892  -5.846  11.339
  117   HG22  ILE 828          HG22      ILE  18  22.314  -5.402  10.649
  118   HG23  ILE 828          HG23      ILE  18  23.237  -6.758  10.003
  119   HD11  ILE 828          HD11      ILE  18  23.749  -5.545  13.674
  120   HD12  ILE 828          HD12      ILE  18  23.327  -7.065  14.499
  121   HD13  ILE 828          HD13      ILE  18  22.531  -5.543  14.964
  122    H    GLU 829           H        GLU  19  18.877  -8.463  12.268
  123    HA   GLU 829           HA       GLU  19  17.260  -6.999  10.613
  124    HB2  GLU 829           HB2      GLU  19  15.479  -7.388  12.416
  125    HB3  GLU 829           HB3      GLU  19  16.099  -8.673  11.417
  126    HG2  GLU 829           HG2      GLU  19  17.145  -8.155  14.240
  127    HG3  GLU 829           HG3      GLU  19  15.719  -9.124  13.929
  128    HA   PRO 830           HA       PRO  20  17.606  -3.111  11.851
  129    HB2  PRO 830           HB2      PRO  20  17.603  -2.069  14.177
  130    HB3  PRO 830           HB3      PRO  20  16.268  -3.211  13.728
  131    HG2  PRO 830           HG2      PRO  20  18.728  -3.729  15.372
  132    HG3  PRO 830           HG3      PRO  20  17.046  -4.215  15.723
  133    HD2  PRO 830           HD2      PRO  20  19.034  -5.783  14.434
  134    HD3  PRO 830           HD3      PRO  20  17.274  -6.056  14.326
  135    H    ILE 831           H        ILE  21  19.176  -1.879  11.066
  136    HA   ILE 831           HA       ILE  21  21.893  -2.572  11.618
  137    HB   ILE 831           HB       ILE  21  20.629  -0.356  10.012
  138   HG12  ILE 831          HG12      ILE  21  22.261  -2.612   8.858
  139   HG13  ILE 831          HG13      ILE  21  20.685  -3.076   9.514
  140   HG21  ILE 831          HG21      ILE  21  22.782   0.503  10.568
  141   HG22  ILE 831          HG22      ILE  21  22.957  -0.229   8.968
  142   HG23  ILE 831          HG23      ILE  21  23.563  -1.085  10.389
  143   HD11  ILE 831          HD11      ILE  21  21.134  -0.825   7.487
  144   HD12  ILE 831          HD12      ILE  21  19.568  -1.422   8.049
  145   HD13  ILE 831          HD13      ILE  21  20.626  -2.466   7.076
  146    H    GLN 832           H        GLN  22  22.912  -2.196  13.429
  147    HA   GLN 832           HA       GLN  22  22.683   0.276  14.942
  148    HB2  GLN 832           HB2      GLN  22  24.382  -2.189  15.337
  149    HB3  GLN 832           HB3      GLN  22  24.293  -0.864  16.477
  150    HG2  GLN 832           HG2      GLN  22  21.682  -2.235  15.670
  151    HG3  GLN 832           HG3      GLN  22  22.809  -3.110  16.675
  152   HE21  GLN 832          HE21      GLN  22  20.265  -1.172  18.709
  153   HE22  GLN 832          HE22      GLN  22  20.137  -2.350  17.408
  154    H    GLY 833           H        GLY  23  24.349   1.593  15.512
  155    HA2  GLY 833           HA2      GLY  23  26.311   2.771  15.546
  156    HA3  GLY 833           HA3      GLY  23  26.999   1.847  14.263
  157    H    VAL 834           H        VAL  24  25.871   2.123  12.125
  158    HA   VAL 834           HA       VAL  24  24.569   4.695  11.612
  159    HB   VAL 834           HB       VAL  24  25.933   5.172   9.664
  160   HG11  VAL 834          HG11      VAL  24  27.648   5.060  12.154
  161   HG12  VAL 834          HG12      VAL  24  26.431   6.308  11.752
  162   HG13  VAL 834          HG13      VAL  24  27.880   6.099  10.742
  163   HG21  VAL 834          HG21      VAL  24  26.908   3.079   9.010
  164   HG22  VAL 834          HG22      VAL  24  27.838   3.023  10.547
  165   HG23  VAL 834          HG23      VAL  24  28.181   4.251   9.315
  166    H    ARG 835           H        ARG  25  23.084   4.500   9.926
  167    HA   ARG 835           HA       ARG  25  22.781   1.819   8.668
  168    HB2  ARG 835           HB2      ARG  25  20.790   2.736   9.508
  169    HB3  ARG 835           HB3      ARG  25  21.037   4.284   8.704
  170    HG2  ARG 835           HG2      ARG  25  20.640   3.255   6.500
  171    HG3  ARG 835           HG3      ARG  25  20.508   1.642   7.254
  172    HD2  ARG 835           HD2      ARG  25  18.607   2.365   8.578
  173    HD3  ARG 835           HD3      ARG  25  18.764   4.032   7.962
  174    HE   ARG 835           HE       ARG  25  18.362   2.184   5.779
  175   HH11  ARG 835          HH11      ARG  25  16.585   1.883   4.846
  176   HH12  ARG 835          HH12      ARG  25  15.047   2.536   5.443
  177   HH21  ARG 835          HH21      ARG  25  16.525   3.622   8.420
  178   HH22  ARG 835          HH22      ARG  25  15.023   3.375   7.577
  179    H    TRP 836           H        TRP  26  23.469   1.242   6.700
  180    HA   TRP 836           HA       TRP  26  24.353   3.349   4.794
  181    HB2  TRP 836           HB2      TRP  26  25.075   0.507   5.358
  182    HB3  TRP 836           HB3      TRP  26  25.204   1.032   3.755
  183    HD1  TRP 836           HD1      TRP  26  26.840   1.070   7.041
  184    HE1  TRP 836           HE1      TRP  26  29.200   2.030   6.794
  185    HE3  TRP 836           HE3      TRP  26  26.305   3.437   2.542
  186    HZ2  TRP 836           HZ2      TRP  26  30.526   3.996   5.125
  187    HZ3  TRP 836           HZ3      TRP  26  28.157   4.810   1.614
  188    HH2  TRP 836           HH2      TRP  26  30.261   5.117   2.906
  189    H    HIS 837           H        HIS  27  22.412   4.064   3.975
  190    HA   HIS 837           HA       HIS  27  20.174   2.313   3.233
  191    HB2  HIS 837           HB2      HIS  27  19.770   4.564   4.040
  192    HB3  HIS 837           HB3      HIS  27  20.848   5.251   2.840
  193    HD2  HIS 837           HD2      HIS  27  19.530   6.493   1.038
  194    HE1  HIS 837           HE1      HIS  27  16.045   4.050   0.816
  195    HE2  HIS 837           HE2      HIS  27  17.170   6.142  -0.087
  196    H    CYS 838           H        CYS  28  19.681   1.430   1.183
  197    HA   CYS 838           HA       CYS  28  21.569   1.852  -1.023
  198    HB2  CYS 838           HB2      CYS  28  19.189   0.123  -0.413
  199    HB3  CYS 838           HB3      CYS  28  19.557   0.416  -2.037
  200    H    GLN 839           H        GLN  29  21.471   3.701  -2.056
  201    HA   GLN 839           HA       GLN  29  19.400   5.643  -1.775
  202    HB2  GLN 839           HB2      GLN  29  21.874   5.416  -3.526
  203    HB3  GLN 839           HB3      GLN  29  20.859   6.766  -3.682
  204    HG2  GLN 839           HG2      GLN  29  21.169   6.928  -1.016
  205    HG3  GLN 839           HG3      GLN  29  22.620   5.986  -1.376
  206   HE21  GLN 839          HE21      GLN  29  21.744   9.061  -0.770
  207   HE22  GLN 839          HE22      GLN  29  22.768   9.917  -1.936
  208    H    ASP 840           H        ASP  30  19.795   3.175  -4.333
  209    HA   ASP 840           HA       ASP  30  17.941   4.740  -6.056
  210    HB2  ASP 840           HB2      ASP  30  20.527   3.793  -6.593
  211    HB3  ASP 840           HB3      ASP  30  19.494   2.663  -7.432
  212    H    CYS 841           H        CYS  31  18.521   1.598  -4.496
  213    HA   CYS 841           HA       CYS  31  16.517   0.183  -5.803
  214    HB2  CYS 841           HB2      CYS  31  16.821  -0.179  -2.891
  215    HB3  CYS 841           HB3      CYS  31  16.538  -1.325  -4.045
  216    HA   PRO 842           HA       PRO  32  12.795   2.380  -4.564
  217    HB2  PRO 842           HB2      PRO  32  10.949   0.686  -5.640
  218    HB3  PRO 842           HB3      PRO  32  12.250   1.346  -6.658
  219    HG2  PRO 842           HG2      PRO  32  12.229  -1.292  -5.145
  220    HG3  PRO 842           HG3      PRO  32  12.495  -1.091  -6.890
  221    HD2  PRO 842           HD2      PRO  32  14.630  -1.210  -5.291
  222    HD3  PRO 842           HD3      PRO  32  14.553  -0.027  -6.627
  223    HA   PRO 843           HA       PRO  33  11.020   0.930  -0.716
  224    HB2  PRO 843           HB2      PRO  33   8.226   0.608  -1.684
  225    HB3  PRO 843           HB3      PRO  33   8.872   1.693  -0.419
  226    HG2  PRO 843           HG2      PRO  33   8.051   2.550  -2.882
  227    HG3  PRO 843           HG3      PRO  33   9.404   3.351  -1.992
  228    HD2  PRO 843           HD2      PRO  33   9.502   1.354  -4.242
  229    HD3  PRO 843           HD3      PRO  33  10.516   2.814  -3.987
  230    H    GLU 844           H        GLU  34  10.212  -1.033  -3.548
  231    HA   GLU 844           HA       GLU  34   8.895  -3.123  -2.080
  232    HB2  GLU 844           HB2      GLU  34   8.903  -2.200  -4.674
  233    HB3  GLU 844           HB3      GLU  34   9.979  -3.569  -4.863
  234    HG2  GLU 844           HG2      GLU  34   8.286  -5.062  -3.899
  235    HG3  GLU 844           HG3      GLU  34   7.233  -3.692  -3.565
  236    H    MET 845           H        MET  35  12.038  -2.350  -2.909
  237    HA   MET 845           HA       MET  35  13.424  -4.899  -2.333
  238    HB2  MET 845           HB2      MET  35  12.937  -4.545  -4.711
  239    HB3  MET 845           HB3      MET  35  13.499  -2.917  -4.651
  240    HG2  MET 845           HG2      MET  35  15.603  -3.553  -5.106
  241    HG3  MET 845           HG3      MET  35  15.542  -4.609  -3.716
  242    HE1  MET 845           HE1      MET  35  15.114  -7.193  -3.753
  243    HE2  MET 845           HE2      MET  35  14.543  -8.081  -5.183
  244    HE3  MET 845           HE3      MET  35  13.482  -6.896  -4.399
  245    H    SER 846           H        SER  36  12.968  -2.914  -0.469
  246    HA   SER 846           HA       SER  36  14.858  -0.688  -0.785
  247    HB2  SER 846           HB2      SER  36  13.812   0.035   1.418
  248    HB3  SER 846           HB3      SER  36  12.811  -0.059  -0.051
  249    HG   SER 846           HG       SER  36  11.780  -1.836   0.724
  250    H    LEU 847           H        LEU  37  16.613  -2.160  -0.913
  251    HA   LEU 847           HA       LEU  37  17.647  -3.542   1.296
  252    HB2  LEU 847           HB2      LEU  37  18.898  -2.300  -1.142
  253    HB3  LEU 847           HB3      LEU  37  19.896  -2.895   0.185
  254    HG   LEU 847           HG       LEU  37  18.455  -5.067  -0.131
  255   HD11  LEU 847          HD11      LEU  37  17.113  -4.388  -1.948
  256   HD12  LEU 847          HD12      LEU  37  18.281  -5.592  -2.524
  257   HD13  LEU 847          HD13      LEU  37  18.557  -3.863  -2.869
  258   HD21  LEU 847          HD21      LEU  37  20.890  -4.915  -0.133
  259   HD22  LEU 847          HD22      LEU  37  20.858  -4.332  -1.800
  260   HD23  LEU 847          HD23      LEU  37  20.321  -5.986  -1.422
  261    H    ASP 848           H        ASP  38  19.236  -3.136   2.669
  262    HA   ASP 848           HA       ASP  38  20.420  -0.521   3.099
  263    HB2  ASP 848           HB2      ASP  38  19.019  -1.884   5.423
  264    HB3  ASP 848           HB3      ASP  38  19.977  -0.406   5.466
  265    H    PHE 849           H        PHE  39  22.377  -0.748   4.296
  266    HA   PHE 849           HA       PHE  39  23.236  -3.495   4.980
  267    HB2  PHE 849           HB2      PHE  39  24.913  -1.378   3.646
  268    HB3  PHE 849           HB3      PHE  39  25.510  -2.895   4.285
  269    HD1  PHE 849           HD1      PHE  39  25.629  -1.639   1.379
  270    HD2  PHE 849           HD2      PHE  39  23.192  -4.720   3.183
  271    HE1  PHE 849           HE1      PHE  39  25.375  -2.754  -0.825
  272    HE2  PHE 849           HE2      PHE  39  22.836  -5.731   0.940
  273    HZ   PHE 849           HZ       PHE  39  23.986  -4.797  -1.034
  274    H    CYS 850           H        CYS  40  24.833  -3.630   6.636
  275    HA   CYS 850           HA       CYS  40  24.829  -1.322   8.483
  276    HB2  CYS 850           HB2      CYS  40  25.660  -2.888  10.183
  277    HB3  CYS 850           HB3      CYS  40  24.155  -3.456   9.475
  278    H    ASP 851           H        ASP  41  27.008  -0.754   9.532
  279    HA   ASP 851           HA       ASP  41  28.775  -0.083   7.365
  280    HB2  ASP 851           HB2      ASP  41  28.423   1.316   9.273
  281    HB3  ASP 851           HB3      ASP  41  29.168   0.176  10.370
  282    H    SER 852           H        SER  42  28.697  -2.905   9.354
  283    HA   SER 852           HA       SER  42  31.375  -3.916   8.809
  284    HB2  SER 852           HB2      SER  42  28.710  -5.316   9.269
  285    HB3  SER 852           HB3      SER  42  30.237  -6.135   9.262
  286    HG   SER 852           HG       SER  42  30.859  -4.949  11.138
  287    H    CYS 853           H        CYS  43  28.413  -3.612   6.996
  288    HA   CYS 853           HA       CYS  43  29.174  -5.705   5.078
  289    HB2  CYS 853           HB2      CYS  43  26.537  -4.689   6.136
  290    HB3  CYS 853           HB3      CYS  43  26.629  -5.529   4.587
  291    H    SER 854           H        SER  44  28.654  -2.150   5.082
  292    HA   SER 854           HA       SER  44  27.601  -2.001   2.461
  293    HB2  SER 854           HB2      SER  44  28.270   0.435   2.676
  294    HB3  SER 854           HB3      SER  44  27.263  -0.278   3.911
  295    HG   SER 854           HG       SER  44  30.042   0.406   4.025
  296    H    ASP 855           H        ASP  45  30.758  -2.952   3.202
  297    HA   ASP 855           HA       ASP  45  32.100  -1.954   0.818
  298    HB2  ASP 855           HB2      ASP  45  32.538  -4.491   2.458
  299    HB3  ASP 855           HB3      ASP  45  33.628  -3.884   1.215
  300    H    CYS 856           H        CYS  46  29.471  -4.093   1.283
  301    HA   CYS 856           HA       CYS  46  29.866  -5.873  -0.970
  302    HB2  CYS 856           HB2      CYS  46  28.469  -6.514   0.895
  303    HB3  CYS 856           HB3      CYS  46  27.407  -5.105   0.656
  304    HG   CYS 856           HG       CYS  46  27.874  -7.835  -1.161
  305    H    LEU 857           H        LEU  47  29.121  -5.777  -2.950
  306    HA   LEU 857           HA       LEU  47  27.604  -3.470  -3.999
  307    HB2  LEU 857           HB2      LEU  47  30.105  -2.913  -3.947
  308    HB3  LEU 857           HB3      LEU  47  30.307  -4.180  -5.161
  309    HG   LEU 857           HG       LEU  47  28.578  -2.943  -6.559
  310   HD11  LEU 857          HD11      LEU  47  27.510  -1.516  -4.890
  311   HD12  LEU 857          HD12      LEU  47  28.290  -0.509  -6.109
  312   HD13  LEU 857          HD13      LEU  47  29.064  -0.734  -4.529
  313   HD21  LEU 857          HD21      LEU  47  31.126  -1.416  -5.862
  314   HD22  LEU 857          HD22      LEU  47  30.198  -1.259  -7.368
  315   HD23  LEU 857          HD23      LEU  47  31.021  -2.781  -6.993
  316    H    HIS 858           H        HIS  48  26.402  -5.578  -3.700
  317    HA   HIS 858           HA       HIS  48  26.514  -7.693  -5.701
  318    HB2  HIS 858           HB2      HIS  48  25.664  -7.986  -3.394
  319    HB3  HIS 858           HB3      HIS  48  24.408  -6.798  -3.685
  320    HD2  HIS 858           HD2      HIS  48  22.225  -8.154  -3.578
  321    HE1  HIS 858           HE1      HIS  48  23.320 -11.509  -5.976
  322    HE2  HIS 858           HE2      HIS  48  21.435 -10.433  -4.645
  323    H    GLU 859           H        GLU  49  24.883  -8.309  -7.085
  324    HA   GLU 859           HA       GLU  49  23.339  -6.141  -8.297
  325    HB2  GLU 859           HB2      GLU  49  24.930  -8.105  -9.951
  326    HB3  GLU 859           HB3      GLU  49  23.865  -6.826 -10.435
  327    HG2  GLU 859           HG2      GLU  49  25.592  -5.258  -9.111
  328    HG3  GLU 859           HG3      GLU  49  26.663  -6.627  -9.423
  329    H    THR 860           H        THR  50  21.327  -6.682  -8.342
  330    HA   THR 860           HA       THR  50  20.396  -9.371  -9.149
  331    HB   THR 860           HB       THR  50  20.378  -9.609  -6.789
  332    HG1  THR 860           HG1      THR  50  18.569 -10.510  -7.532
  333   HG21  THR 860          HG21      THR  50  19.012  -8.112  -5.318
  334   HG22  THR 860          HG22      THR  50  18.936  -6.945  -6.660
  335   HG23  THR 860          HG23      THR  50  20.509  -7.408  -5.941
  336    H    ASP 861           H        ASP  51  17.578  -8.610  -8.854
  337    HA   ASP 861           HA       ASP  51  17.302  -7.700 -11.502
  338    HB2  ASP 861           HB2      ASP  51  15.282  -7.650  -9.232
  339    HB3  ASP 861           HB3      ASP  51  14.879  -7.431 -10.935
  340    H    ILE 862           H        ILE  52  17.849  -5.727  -8.791
  341    HA   ILE 862           HA       ILE  52  17.276  -3.205 -10.245
  342    HB   ILE 862           HB       ILE  52  16.172  -3.738  -7.457
  343   HG12  ILE 862          HG12      ILE  52  14.841  -3.822 -10.160
  344   HG13  ILE 862          HG13      ILE  52  14.835  -5.031  -8.891
  345   HG21  ILE 862          HG21      ILE  52  16.783  -1.475  -7.602
  346   HG22  ILE 862          HG22      ILE  52  15.068  -1.463  -8.018
  347   HG23  ILE 862          HG23      ILE  52  16.273  -1.338  -9.304
  348   HD11  ILE 862          HD11      ILE  52  13.264  -2.446  -8.889
  349   HD12  ILE 862          HD12      ILE  52  13.456  -3.497  -7.455
  350   HD13  ILE 862          HD13      ILE  52  12.664  -4.107  -8.925
  351    H    HIS 863           H        HIS  53  18.521  -4.584  -7.147
  352    HA   HIS 863           HA       HIS  53  20.287  -2.336  -6.645
  353    HB2  HIS 863           HB2      HIS  53  19.407  -3.858  -4.923
  354    HB3  HIS 863           HB3      HIS  53  20.232  -5.191  -5.615
  355    HD2  HIS 863           HD2      HIS  53  22.731  -5.607  -5.022
  356    HE1  HIS 863           HE1      HIS  53  23.397  -2.197  -2.576
  357    H    LYS 864           H        LYS  54  22.426  -2.071  -7.373
  358    HA   LYS 864           HA       LYS  54  23.683  -4.055  -9.181
  359    HB2  LYS 864           HB2      LYS  54  22.998  -1.192  -9.983
  360    HB3  LYS 864           HB3      LYS  54  23.948  -2.305 -10.953
  361    HG2  LYS 864           HG2      LYS  54  21.039  -2.551 -10.276
  362    HG3  LYS 864           HG3      LYS  54  21.688  -1.973 -11.794
  363    HD2  LYS 864           HD2      LYS  54  22.607  -4.123 -12.377
  364    HD3  LYS 864           HD3      LYS  54  22.238  -4.806 -10.782
  365    HE2  LYS 864           HE2      LYS  54  19.858  -4.527 -11.117
  366    HE3  LYS 864           HE3      LYS  54  20.108  -3.672 -12.630
  367    HZ1  LYS 864           HZ1      LYS  54  19.563  -5.920 -13.175
  368    HZ2  LYS 864           HZ2      LYS  54  20.634  -6.542 -12.116
  369    HZ3  LYS 864           HZ3      LYS  54  21.166  -5.791 -13.494
  370    H    GLU 865           H        GLU  55  25.803  -3.265  -9.991
  371    HA   GLU 865           HA       GLU  55  27.388  -1.986  -7.961
  372    HB2  GLU 865           HB2      GLU  55  27.890  -2.570 -10.892
  373    HB3  GLU 865           HB3      GLU  55  29.094  -1.801  -9.856
  374    HG2  GLU 865           HG2      GLU  55  29.295  -3.769  -8.484
  375    HG3  GLU 865           HG3      GLU  55  27.913  -4.529  -9.253
  376    H    ASP 866           H        ASP  56  25.153  -0.713 -10.189
  377    HA   ASP 866           HA       ASP  56  26.610   1.854 -10.738
  378    HB2  ASP 866           HB2      ASP  56  23.974   0.746 -11.798
  379    HB3  ASP 866           HB3      ASP  56  24.673   2.306 -12.227
  380    H    HIS 867           H        HIS  57  23.891   0.472  -9.037
  381    HA   HIS 867           HA       HIS  57  22.598   2.783  -8.050
  382    HB2  HIS 867           HB2      HIS  57  21.328   0.886  -7.958
  383    HB3  HIS 867           HB3      HIS  57  22.696  -0.191  -7.683
  384    HD2  HIS 867           HD2      HIS  57  23.504  -0.536  -5.235
  385    HE1  HIS 867           HE1      HIS  57  20.378   1.701  -3.365
  386    H    GLN 868           H        GLN  58  22.755   3.683  -6.022
  387    HA   GLN 868           HA       GLN  58  25.528   3.836  -4.966
  388    HB2  GLN 868           HB2      GLN  58  23.313   5.877  -5.048
  389    HB3  GLN 868           HB3      GLN  58  24.910   6.140  -4.338
  390    HG2  GLN 868           HG2      GLN  58  24.288   5.529  -7.269
  391    HG3  GLN 868           HG3      GLN  58  24.684   7.096  -6.581
  392   HE21  GLN 868          HE21      GLN  58  26.054   4.346  -8.157
  393   HE22  GLN 868          HE22      GLN  58  27.712   4.667  -7.668
  394    H    LEU 869           H        LEU  59  26.077   4.000  -2.773
  395    HA   LEU 869           HA       LEU  59  23.970   3.262  -0.806
  396    HB2  LEU 869           HB2      LEU  59  26.988   2.970  -0.596
  397    HB3  LEU 869           HB3      LEU  59  25.780   2.401   0.539
  398    HG   LEU 869           HG       LEU  59  26.657   0.580  -0.605
  399   HD11  LEU 869          HD11      LEU  59  23.850   1.077  -1.668
  400   HD12  LEU 869          HD12      LEU  59  24.289   0.423  -0.055
  401   HD13  LEU 869          HD13      LEU  59  24.632  -0.492  -1.535
  402   HD21  LEU 869          HD21      LEU  59  27.399   1.677  -2.727
  403   HD22  LEU 869          HD22      LEU  59  25.735   1.437  -3.336
  404   HD23  LEU 869          HD23      LEU  59  26.714   0.052  -2.863
  405    H    GLU 870           H        GLU  60  23.816   4.392   1.160
  406    HA   GLU 870           HA       GLU  60  25.302   6.989   1.366
  407    HB2  GLU 870           HB2      GLU  60  23.311   7.546   0.390
  408    HB3  GLU 870           HB3      GLU  60  22.343   6.444   1.378
  409    HG2  GLU 870           HG2      GLU  60  22.539   7.874   3.303
  410    HG3  GLU 870           HG3      GLU  60  23.794   8.837   2.522
  411    HA   PRO 871           HA       PRO  61  25.637   5.599   5.735
  412    HB2  PRO 871           HB2      PRO  61  27.327   7.505   6.600
  413    HB3  PRO 871           HB3      PRO  61  27.875   6.126   5.600
  414    HG2  PRO 871           HG2      PRO  61  27.303   8.969   4.746
  415    HG3  PRO 871           HG3      PRO  61  28.665   7.908   4.269
  416    HD2  PRO 871           HD2      PRO  61  26.368   8.306   2.764
  417    HD3  PRO 871           HD3      PRO  61  27.361   6.830   2.667
  418    H    ILE 872           H        ILE  62  24.274   6.102   7.296
  419    HA   ILE 872           HA       ILE  62  23.214   8.884   7.624
  420    HB   ILE 872           HB       ILE  62  21.745   6.245   7.924
  421   HG12  ILE 872          HG12      ILE  62  21.459   8.484   5.871
  422   HG13  ILE 872          HG13      ILE  62  22.089   6.858   5.578
  423   HG21  ILE 872          HG21      ILE  62  21.063   7.915   9.615
  424   HG22  ILE 872          HG22      ILE  62  19.775   7.613   8.475
  425   HG23  ILE 872          HG23      ILE  62  20.746   9.099   8.328
  426   HD11  ILE 872          HD11      ILE  62  19.850   6.960   4.738
  427   HD12  ILE 872          HD12      ILE  62  19.221   7.558   6.277
  428   HD13  ILE 872          HD13      ILE  62  19.861   5.901   6.168
  429    H    TYR 873           H        TYR  63  23.925   9.742   9.418
  430    HA   TYR 873           HA       TYR  63  25.011   8.055  11.588
  431    HB2  TYR 873           HB2      TYR  63  25.286  11.006  10.955
  432    HB3  TYR 873           HB3      TYR  63  26.047  10.154  12.297
  433    HD1  TYR 873           HD1      TYR  63  26.220   7.716   9.863
  434    HD2  TYR 873           HD2      TYR  63  27.830  11.634  10.683
  435    HE1  TYR 873           HE1      TYR  63  28.277   7.109   8.642
  436    HE2  TYR 873           HE2      TYR  63  29.851  11.075   9.332
  437    HH   TYR 873           HH       TYR  63  30.948   9.463   8.099
  438    H    ARG 874           H        ARG  64  22.115   8.780  11.275
  439    HA   ARG 874           HA       ARG  64  21.547   9.296  14.101
  440    HB2  ARG 874           HB2      ARG  64  20.308  10.920  11.821
  441    HB3  ARG 874           HB3      ARG  64  19.718  10.950  13.469
  442    HG2  ARG 874           HG2      ARG  64  22.436  11.929  12.522
  443    HG3  ARG 874           HG3      ARG  64  21.072  12.924  13.029
  444    HD2  ARG 874           HD2      ARG  64  22.477  10.920  14.827
  445    HD3  ARG 874           HD3      ARG  64  22.888  12.635  14.781
  446    HE   ARG 874           HE       ARG  64  20.515  11.371  15.983
  447   HH11  ARG 874          HH11      ARG  64  21.879  14.464  15.032
  448   HH12  ARG 874          HH12      ARG  64  20.797  15.355  16.064
  449   HH21  ARG 874          HH21      ARG  64  19.166  12.569  17.260
  450   HH22  ARG 874          HH22      ARG  64  19.302  14.302  17.291
  451    H1   ALA   1           H1       ALA  65  17.455  -3.792   3.501
  452    H2   ALA   1           H2       ALA  65  17.265  -3.545   5.112
  453    H3   ALA   1           H3       ALA  65  16.741  -2.400   4.053
  454    HA   ALA   1           HA       ALA  65  15.124  -3.884   3.167
  455    HB1  ALA   1           HB1      ALA  65  15.774  -5.995   3.293
  456    HB2  ALA   1           HB2      ALA  65  14.704  -5.998   4.690
  457    HB3  ALA   1           HB3      ALA  65  16.465  -5.873   4.933
  458    H    ARG   2           H        ARG  66  13.055  -3.278   3.833
  459    HA   ARG   2           HA       ARG  66  12.705  -1.938   6.415
  460    HB2  ARG   2           HB2      ARG  66  10.755  -2.861   4.252
  461    HB3  ARG   2           HB3      ARG  66  10.246  -2.039   5.734
  462    HG2  ARG   2           HG2      ARG  66  11.625  -0.087   5.179
  463    HG3  ARG   2           HG3      ARG  66  12.188  -0.857   3.703
  464    HD2  ARG   2           HD2      ARG  66   9.337  -0.022   4.351
  465    HD3  ARG   2           HD3      ARG  66  10.424   0.780   3.241
  466    HE   ARG   2           HE       ARG  66  10.172  -0.971   1.664
  467   HH11  ARG   2          HH11      ARG  66   7.979  -1.477   4.373
  468   HH12  ARG   2          HH12      ARG  66   7.016  -2.617   3.484
  469   HH21  ARG   2          HH21      ARG  66   8.895  -2.379   0.607
  470   HH22  ARG   2          HH22      ARG  66   7.519  -3.126   1.395
  471    H    THR   3           H        THR  67  12.115  -2.766   8.295
  472    HA   THR   3           HA       THR  67  11.245  -5.623   8.506
  473    HB   THR   3           HB       THR  67  13.489  -4.392  10.134
  474    HG1  THR   3           HG1      THR  67  13.613  -5.957   7.763
  475   HG21  THR   3          HG21      THR  67  12.732  -6.467  11.156
  476   HG22  THR   3          HG22      THR  67  14.252  -6.758  10.316
  477   HG23  THR   3          HG23      THR  67  12.723  -7.286   9.575
  478    H    LYS   4           H        LYS  68  10.028  -2.780   9.092
  479    HA   LYS   4           HA       LYS  68   9.173  -3.012  11.900
  480    HB2  LYS   4           HB2      LYS  68   8.234  -1.264   9.572
  481    HB3  LYS   4           HB3      LYS  68   7.581  -1.169  11.211
  482    HG2  LYS   4           HG2      LYS  68   9.890  -0.683  12.078
  483    HG3  LYS   4           HG3      LYS  68  10.455  -0.598  10.395
  484    HD2  LYS   4           HD2      LYS  68   8.866   1.240   9.936
  485    HD3  LYS   4           HD3      LYS  68   8.258   1.137  11.603
  486    HE2  LYS   4           HE2      LYS  68  10.557   1.652  12.452
  487    HE3  LYS   4           HE3      LYS  68  11.119   1.820  10.782
  488    HZ1  LYS   4           HZ1      LYS  68   9.521   3.676  10.521
  489    HZ2  LYS   4           HZ2      LYS  68  10.541   3.989  11.763
  490    HZ3  LYS   4           HZ3      LYS  68   9.011   3.509  12.063
  491    H    GLN   5           H        GLN  69   6.862  -3.056  12.416
  492    HA   GLN   5           HA       GLN  69   4.879  -4.106  12.609
  493    HB2  GLN   5           HB2      GLN  69   4.553  -2.473  10.769
  494    HB3  GLN   5           HB3      GLN  69   4.750  -3.780   9.595
  495    HG2  GLN   5           HG2      GLN  69   2.766  -4.941  10.585
  496    HG3  GLN   5           HG3      GLN  69   2.617  -3.656  11.782
  497   HE21  GLN   5          HE21      GLN  69   0.340  -3.908  10.573
  498   HE22  GLN   5          HE22      GLN  69   0.126  -2.766   9.253
  499    H    THR   6           H        THR  70   6.133  -6.000  13.329
  500    HA   THR   6           HA       THR  70   6.200  -8.428  11.759
  501    HB   THR   6           HB       THR  70   6.417  -9.538  13.998
  502    HG1  THR   6           HG1      THR  70   5.301  -8.090  15.314
  503   HG21  THR   6          HG21      THR  70   8.413  -8.744  12.774
  504   HG22  THR   6          HG22      THR  70   8.619  -8.623  14.526
  505   HG23  THR   6          HG23      THR  70   8.278  -7.161  13.571
  506    H    ALA   7           H        ALA  71   4.891 -10.337  12.075
  507    HA   ALA   7           HA       ALA  71   2.121  -9.815  11.746
  508    HB1  ALA   7           HB1      ALA  71   1.932 -12.271  11.617
  509    HB2  ALA   7           HB2      ALA  71   3.572 -12.443  12.282
  510    HB3  ALA   7           HB3      ALA  71   3.322 -11.686  10.688
  511    H    ARG   8           H        ARG  72   0.303 -10.453  12.930
  512    HA   ARG   8           HA       ARG  72   0.405 -10.075  15.826
  513    HB2  ARG   8           HB2      ARG  72  -1.870 -10.818  13.927
  514    HB3  ARG   8           HB3      ARG  72  -2.079 -10.489  15.646
  515    HG2  ARG   8           HG2      ARG  72  -1.192  -8.188  15.343
  516    HG3  ARG   8           HG3      ARG  72  -1.011  -8.489  13.604
  517    HD2  ARG   8           HD2      ARG  72  -3.439  -8.919  13.415
  518    HD3  ARG   8           HD3      ARG  72  -3.651  -8.627  15.138
  519    HE   ARG   8           HE       ARG  72  -3.168  -6.650  12.994
  520   HH11  ARG   8          HH11      ARG  72  -3.445  -4.503  13.412
  521   HH12  ARG   8          HH12      ARG  72  -3.621  -3.939  15.048
  522   HH21  ARG   8          HH21      ARG  72  -3.326  -7.047  16.479
  523   HH22  ARG   8          HH22      ARG  72  -3.551  -5.339  16.747
  524    H    LYS   9           H        LYS  73  -0.541 -11.508  17.378
  525    HA   LYS   9           HA       LYS  73   0.390 -14.269  17.266
  526    HB2  LYS   9           HB2      LYS  73  -1.483 -12.890  19.242
  527    HB3  LYS   9           HB3      LYS  73  -0.740 -14.468  19.475
  528    HG2  LYS   9           HG2      LYS  73   0.753 -11.811  19.304
  529    HG3  LYS   9           HG3      LYS  73   0.386 -12.725  20.766
  530    HD2  LYS   9           HD2      LYS  73   1.771 -14.627  19.896
  531    HD3  LYS   9           HD3      LYS  73   2.211 -13.626  18.493
  532    HE2  LYS   9           HE2      LYS  73   3.168 -11.909  20.007
  533    HE3  LYS   9           HE3      LYS  73   2.729 -12.889  21.409
  534    HZ1  LYS   9           HZ1      LYS  73   5.057 -13.225  20.778
  535    HZ2  LYS   9           HZ2      LYS  73   4.645 -13.730  19.283
  536    HZ3  LYS   9           HZ3      LYS  73   4.243 -14.625  20.591
  537    H    SER  10           H        SER  74  -0.925 -16.161  17.554
  538    HA   SER  10           HA       SER  74  -3.112 -16.371  15.671
  539    HB2  SER  10           HB2      SER  74  -3.192 -18.720  16.416
  540    HB3  SER  10           HB3      SER  74  -1.557 -18.197  15.985
  541    HG   SER  10           HG       SER  74  -1.617 -19.406  17.950
  542    H    THR  11           H        THR  75  -5.248 -17.192  16.130
  543    HA   THR  11           HA       THR  75  -6.612 -15.756  18.249
  544    HB   THR  11           HB       THR  75  -8.642 -16.934  17.364
  545    HG1  THR  11           HG1      THR  75  -7.719 -18.799  16.506
  546   HG21  THR  11          HG21      THR  75  -8.699 -15.739  15.232
  547   HG22  THR  11          HG22      THR  75  -6.935 -15.535  15.255
  548   HG23  THR  11          HG23      THR  75  -7.947 -14.733  16.481
  549    H    GLY  12           H        GLY  76  -7.870 -16.571  19.934
  550    HA2  GLY  12           HA2      GLY  76  -6.843 -18.844  21.419
  551    HA3  GLY  12           HA3      GLY  76  -8.222 -17.834  21.848
  Start of MODEL   19
    1    H1   GLY 811           H1       GLY   1  21.728  10.466  20.263
    2    H2   GLY 811           H2       GLY   1  20.587   9.368  20.668
    3    H3   GLY 811           H3       GLY   1  20.632   9.972  19.149
    4    HA2  GLY 811           HA2      GLY   1  22.682   8.216  20.384
    5    HA3  GLY 811           HA3      GLY   1  21.504   7.718  19.170
    6    HA   PRO 812           HA       PRO   2  24.940  10.296  16.951
    7    HB2  PRO 812           HB2      PRO   2  27.398  10.401  18.088
    8    HB3  PRO 812           HB3      PRO   2  26.062  11.349  18.778
    9    HG2  PRO 812           HG2      PRO   2  27.021   8.710  19.681
   10    HG3  PRO 812           HG3      PRO   2  26.788  10.177  20.672
   11    HD2  PRO 812           HD2      PRO   2  24.878   8.219  20.496
   12    HD3  PRO 812           HD3      PRO   2  24.453   9.951  20.638
   13    H    LEU 813           H        LEU   3  27.162   9.772  15.949
   14    HA   LEU 813           HA       LEU   3  27.173   7.446  14.490
   15    HB2  LEU 813           HB2      LEU   3  28.511   9.362  13.912
   16    HB3  LEU 813           HB3      LEU   3  29.354   9.318  15.457
   17    HG   LEU 813           HG       LEU   3  30.593   7.336  14.767
   18   HD11  LEU 813          HD11      LEU   3  29.049   6.254  13.231
   19   HD12  LEU 813          HD12      LEU   3  30.543   6.620  12.371
   20   HD13  LEU 813          HD13      LEU   3  29.115   7.655  12.127
   21   HD21  LEU 813          HD21      LEU   3  31.506   9.549  14.329
   22   HD22  LEU 813          HD22      LEU   3  30.711   9.581  12.732
   23   HD23  LEU 813          HD23      LEU   3  31.993   8.390  13.084
   24    H    GLY 814           H        GLY   4  27.536   5.318  14.911
   25    HA2  GLY 814           HA2      GLY   4  28.478   3.405  15.833
   26    HA3  GLY 814           HA3      GLY   4  29.442   4.385  16.952
   27    H    SER 815           H        SER   5  26.234   5.414  17.191
   28    HA   SER 815           HA       SER   5  25.318   3.260  19.036
   29    HB2  SER 815           HB2      SER   5  24.761   6.184  19.478
   30    HB3  SER 815           HB3      SER   5  24.581   4.876  20.650
   31    HG   SER 815           HG       SER   5  26.839   4.747  20.864
   32    H    VAL 816           H        VAL   6  24.693   4.770  16.197
   33    HA   VAL 816           HA       VAL   6  21.841   5.242  16.474
   34    HB   VAL 816           HB       VAL   6  23.894   5.066  14.274
   35   HG11  VAL 816          HG11      VAL   6  20.965   5.311  13.816
   36   HG12  VAL 816          HG12      VAL   6  22.085   4.022  13.233
   37   HG13  VAL 816          HG13      VAL   6  22.267   5.712  12.651
   38   HG21  VAL 816          HG21      VAL   6  21.828   7.137  15.019
   39   HG22  VAL 816          HG22      VAL   6  23.235   7.313  13.923
   40   HG23  VAL 816          HG23      VAL   6  23.509   7.128  15.651
   41    H    GLN 817           H        GLN   7  20.255   3.843  15.783
   42    HA   GLN 817           HA       GLN   7  20.846   1.030  15.167
   43    HB2  GLN 817           HB2      GLN   7  19.655   0.281  17.275
   44    HB3  GLN 817           HB3      GLN   7  21.323   0.829  17.409
   45    HG2  GLN 817           HG2      GLN   7  20.674   3.004  18.264
   46    HG3  GLN 817           HG3      GLN   7  18.985   2.632  18.123
   47   HE21  GLN 817          HE21      GLN   7  19.842   3.515  20.501
   48   HE22  GLN 817          HE22      GLN   7  20.126   2.235  21.669
   49    H    HIS 818           H        HIS   8  19.637   1.066  13.430
   50    HA   HIS 818           HA       HIS   8  17.056   2.385  13.400
   51    HB2  HIS 818           HB2      HIS   8  18.707   0.864  11.372
   52    HB3  HIS 818           HB3      HIS   8  17.014   1.237  11.060
   53    HD2  HIS 818           HD2      HIS   8  20.109   3.325  12.222
   54    HE1  HIS 818           HE1      HIS   8  17.418   5.885  10.110
   55    HE2  HIS 818           HE2      HIS   8  19.618   5.794  11.325
   56    H    VAL 819           H        VAL   9  16.511   0.922  15.343
   57    HA   VAL 819           HA       VAL   9  15.659  -1.746  15.259
   58    HB   VAL 819           HB       VAL   9  14.583   0.553  16.883
   59   HG11  VAL 819          HG11      VAL   9  14.376  -2.466  17.301
   60   HG12  VAL 819          HG12      VAL   9  13.006  -1.372  16.958
   61   HG13  VAL 819          HG13      VAL   9  13.895  -1.217  18.474
   62   HG21  VAL 819          HG21      VAL   9  16.705  -1.561  17.460
   63   HG22  VAL 819          HG22      VAL   9  16.080  -0.382  18.626
   64   HG23  VAL 819          HG23      VAL   9  16.993   0.177  17.228
   65    H    GLY 820           H        GLY  10  14.862  -2.228  13.293
   66    HA2  GLY 820           HA2      GLY  10  12.480  -2.829  12.522
   67    HA3  GLY 820           HA3      GLY  10  12.264  -1.085  12.383
   68    H    PHE 821           H        PHE  11  15.496  -1.828  11.447
   69    HA   PHE 821           HA       PHE  11  14.683  -2.415   8.643
   70    HB2  PHE 821           HB2      PHE  11  16.479  -0.111   9.441
   71    HB3  PHE 821           HB3      PHE  11  16.209  -0.666   7.806
   72    HD1  PHE 821           HD1      PHE  11  14.100  -0.261   6.637
   73    HD2  PHE 821           HD2      PHE  11  14.715   1.147  10.664
   74    HE1  PHE 821           HE1      PHE  11  12.148   1.269   6.407
   75    HE2  PHE 821           HE2      PHE  11  12.778   2.680  10.426
   76    HZ   PHE 821           HZ       PHE  11  11.490   2.742   8.297
   77    H    LYS 822           H        LYS  12  15.619  -4.207   8.182
   78    HA   LYS 822           HA       LYS  12  17.953  -5.193   9.492
   79    HB2  LYS 822           HB2      LYS  12  16.042  -6.581   8.852
   80    HB3  LYS 822           HB3      LYS  12  16.267  -6.172   7.167
   81    HG2  LYS 822           HG2      LYS  12  18.599  -7.326   7.457
   82    HG3  LYS 822           HG3      LYS  12  17.913  -8.067   8.882
   83    HD2  LYS 822           HD2      LYS  12  16.722  -8.132   6.091
   84    HD3  LYS 822           HD3      LYS  12  17.846  -9.356   6.662
   85    HE2  LYS 822           HE2      LYS  12  16.378  -9.951   8.493
   86    HE3  LYS 822           HE3      LYS  12  15.165  -8.752   7.998
   87    HZ1  LYS 822           HZ1      LYS  12  14.898 -10.009   5.898
   88    HZ2  LYS 822           HZ2      LYS  12  14.598 -10.985   7.168
   89    HZ3  LYS 822           HZ3      LYS  12  16.005 -11.122   6.363
   90    H    CYS 823           H        CYS  13  20.058  -5.667   8.647
   91    HA   CYS 823           HA       CYS  13  21.056  -4.377   6.197
   92    HB2  CYS 823           HB2      CYS  13  22.605  -4.629   8.077
   93    HB3  CYS 823           HB3      CYS  13  22.262  -6.358   8.150
   94    H    ASP 824           H        ASP  14  20.413  -5.296   4.226
   95    HA   ASP 824           HA       ASP  14  19.367  -7.944   3.987
   96    HB2  ASP 824           HB2      ASP  14  20.520  -6.079   1.893
   97    HB3  ASP 824           HB3      ASP  14  19.670  -7.574   1.509
   98    H    ASN 825           H        ASN  15  22.684  -7.030   4.183
   99    HA   ASN 825           HA       ASN  15  23.661  -9.252   2.500
  100    HB2  ASN 825           HB2      ASN  15  24.781  -7.015   2.445
  101    HB3  ASN 825           HB3      ASN  15  25.211  -7.228   4.141
  102   HD21  ASN 825          HD21      ASN  15  27.254  -7.930   4.416
  103   HD22  ASN 825          HD22      ASN  15  28.068  -9.075   3.340
  104    H    CYS 826           H        CYS  16  24.057  -8.336   6.020
  105    HA   CYS 826           HA       CYS  16  24.740 -11.168   6.589
  106    HB2  CYS 826           HB2      CYS  16  25.805 -10.374   8.563
  107    HB3  CYS 826           HB3      CYS  16  26.409  -9.488   7.175
  108    H    GLY 827           H        GLY  17  22.055  -9.079   6.810
  109    HA2  GLY 827           HA2      GLY  17  19.957  -9.541   7.475
  110    HA3  GLY 827           HA3      GLY  17  20.436 -11.106   8.037
  111    H    ILE 828           H        ILE  18  22.157  -8.373   9.509
  112    HA   ILE 828           HA       ILE  18  20.812  -8.724  12.068
  113    HB   ILE 828           HB       ILE  18  23.039  -7.894  12.199
  114   HG12  ILE 828          HG12      ILE  18  21.449  -5.372  12.758
  115   HG13  ILE 828          HG13      ILE  18  21.054  -6.841  13.615
  116   HG21  ILE 828          HG21      ILE  18  22.297  -5.412  10.585
  117   HG22  ILE 828          HG22      ILE  18  23.255  -6.769   9.992
  118   HG23  ILE 828          HG23      ILE  18  23.876  -5.793  11.298
  119   HD11  ILE 828          HD11      ILE  18  23.356  -7.019  14.478
  120   HD12  ILE 828          HD12      ILE  18  22.587  -5.488  14.934
  121   HD13  ILE 828          HD13      ILE  18  23.790  -5.513  13.629
  122    H    GLU 829           H        GLU  19  18.866  -8.446  12.295
  123    HA   GLU 829           HA       GLU  19  17.286  -6.961  10.636
  124    HB2  GLU 829           HB2      GLU  19  15.419  -7.683  11.847
  125    HB3  GLU 829           HB3      GLU  19  16.566  -8.958  11.596
  126    HG2  GLU 829           HG2      GLU  19  15.948  -7.503  14.200
  127    HG3  GLU 829           HG3      GLU  19  15.464  -9.128  13.771
  128    HA   PRO 830           HA       PRO  20  17.521  -3.092  11.959
  129    HB2  PRO 830           HB2      PRO  20  17.598  -2.150  14.314
  130    HB3  PRO 830           HB3      PRO  20  16.278  -3.322  13.900
  131    HG2  PRO 830           HG2      PRO  20  18.810  -3.756  15.431
  132    HG3  PRO 830           HG3      PRO  20  17.189  -4.402  15.789
  133    HD2  PRO 830           HD2      PRO  20  19.315  -5.653  14.319
  134    HD3  PRO 830           HD3      PRO  20  17.632  -6.205  14.375
  135    H    ILE 831           H        ILE  21  19.112  -1.945  11.031
  136    HA   ILE 831           HA       ILE  21  21.833  -2.610  11.539
  137    HB   ILE 831           HB       ILE  21  20.534  -0.380   9.970
  138   HG12  ILE 831          HG12      ILE  21  22.183  -2.593   8.769
  139   HG13  ILE 831          HG13      ILE  21  20.633  -3.094   9.460
  140   HG21  ILE 831          HG21      ILE  21  22.848  -0.185   8.899
  141   HG22  ILE 831          HG22      ILE  21  23.489  -1.073  10.293
  142   HG23  ILE 831          HG23      ILE  21  22.697   0.500  10.518
  143   HD11  ILE 831          HD11      ILE  21  19.447  -1.462   8.035
  144   HD12  ILE 831          HD12      ILE  21  20.511  -2.452   7.019
  145   HD13  ILE 831          HD13      ILE  21  20.984  -0.805   7.457
  146    H    GLN 832           H        GLN  22  22.806  -2.256  13.408
  147    HA   GLN 832           HA       GLN  22  22.686   0.370  14.674
  148    HB2  GLN 832           HB2      GLN  22  24.253  -2.043  15.607
  149    HB3  GLN 832           HB3      GLN  22  23.879  -0.562  16.493
  150    HG2  GLN 832           HG2      GLN  22  21.307  -1.403  15.876
  151    HG3  GLN 832           HG3      GLN  22  22.125  -2.945  15.822
  152   HE21  GLN 832          HE21      GLN  22  20.040  -2.079  17.739
  153   HE22  GLN 832          HE22      GLN  22  20.806  -2.111  19.313
  154    H    GLY 833           H        GLY  23  24.456   1.577  15.300
  155    HA2  GLY 833           HA2      GLY  23  26.751   2.306  15.248
  156    HA3  GLY 833           HA3      GLY  23  27.003   1.435  13.749
  157    H    VAL 834           H        VAL  24  25.869   2.061  11.913
  158    HA   VAL 834           HA       VAL  24  24.554   4.667  11.656
  159    HB   VAL 834           HB       VAL  24  25.831   5.202   9.631
  160   HG11  VAL 834          HG11      VAL  24  26.391   6.306  11.689
  161   HG12  VAL 834          HG12      VAL  24  27.850   6.032  10.703
  162   HG13  VAL 834          HG13      VAL  24  27.553   5.004  12.098
  163   HG21  VAL 834          HG21      VAL  24  28.034   4.291   9.138
  164   HG22  VAL 834          HG22      VAL  24  26.781   3.078   8.928
  165   HG23  VAL 834          HG23      VAL  24  27.809   3.068  10.402
  166    H    ARG 835           H        ARG  25  23.074   4.612   9.882
  167    HA   ARG 835           HA       ARG  25  22.621   1.928   8.659
  168    HB2  ARG 835           HB2      ARG  25  20.710   3.043   9.514
  169    HB3  ARG 835           HB3      ARG  25  21.015   4.498   8.552
  170    HG2  ARG 835           HG2      ARG  25  20.481   3.330   6.484
  171    HG3  ARG 835           HG3      ARG  25  20.420   1.756   7.327
  172    HD2  ARG 835           HD2      ARG  25  18.552   2.502   8.681
  173    HD3  ARG 835           HD3      ARG  25  18.618   4.129   7.957
  174    HE   ARG 835           HE       ARG  25  18.236   2.208   5.871
  175   HH11  ARG 835          HH11      ARG  25  16.387   1.703   5.040
  176   HH12  ARG 835          HH12      ARG  25  14.858   2.249   5.730
  177   HH21  ARG 835          HH21      ARG  25  16.399   3.481   8.603
  178   HH22  ARG 835          HH22      ARG  25  14.880   3.146   7.815
  179    H    TRP 836           H        TRP  26  23.299   1.319   6.692
  180    HA   TRP 836           HA       TRP  26  24.275   3.395   4.775
  181    HB2  TRP 836           HB2      TRP  26  24.942   0.535   5.302
  182    HB3  TRP 836           HB3      TRP  26  24.992   1.065   3.697
  183    HD1  TRP 836           HD1      TRP  26  26.837   1.056   6.878
  184    HE1  TRP 836           HE1      TRP  26  29.213   1.992   6.519
  185    HE3  TRP 836           HE3      TRP  26  26.096   3.375   2.405
  186    HZ2  TRP 836           HZ2      TRP  26  30.552   3.685   4.600
  187    HZ3  TRP 836           HZ3      TRP  26  27.956   4.607   1.285
  188    HH2  TRP 836           HH2      TRP  26  30.178   4.772   2.381
  189    H    HIS 837           H        HIS  27  22.420   4.147   3.836
  190    HA   HIS 837           HA       HIS  27  20.147   2.385   3.179
  191    HB2  HIS 837           HB2      HIS  27  19.798   4.693   3.949
  192    HB3  HIS 837           HB3      HIS  27  20.759   5.312   2.615
  193    HD2  HIS 837           HD2      HIS  27  17.402   3.426   3.197
  194    HE1  HIS 837           HE1      HIS  27  17.088   5.514  -0.512
  195    HE2  HIS 837           HE2      HIS  27  15.824   4.114   1.196
  196    H    CYS 838           H        CYS  28  19.698   1.431   1.145
  197    HA   CYS 838           HA       CYS  28  21.611   1.795  -1.048
  198    HB2  CYS 838           HB2      CYS  28  19.223   0.098  -0.417
  199    HB3  CYS 838           HB3      CYS  28  19.582   0.369  -2.045
  200    H    GLN 839           H        GLN  29  21.550   3.665  -2.087
  201    HA   GLN 839           HA       GLN  29  19.486   5.599  -1.831
  202    HB2  GLN 839           HB2      GLN  29  21.954   5.378  -3.592
  203    HB3  GLN 839           HB3      GLN  29  20.929   6.728  -3.734
  204    HG2  GLN 839           HG2      GLN  29  21.274   6.914  -1.078
  205    HG3  GLN 839           HG3      GLN  29  22.715   5.959  -1.444
  206   HE21  GLN 839          HE21      GLN  29  21.900   9.063  -0.867
  207   HE22  GLN 839          HE22      GLN  29  22.923   9.878  -2.064
  208    H    ASP 840           H        ASP  30  19.828   3.101  -4.359
  209    HA   ASP 840           HA       ASP  30  17.992   4.662  -6.100
  210    HB2  ASP 840           HB2      ASP  30  20.581   3.667  -6.633
  211    HB3  ASP 840           HB3      ASP  30  19.507   2.589  -7.499
  212    H    CYS 841           H        CYS  31  18.540   1.540  -4.486
  213    HA   CYS 841           HA       CYS  31  16.520   0.137  -5.795
  214    HB2  CYS 841           HB2      CYS  31  16.798  -0.183  -2.878
  215    HB3  CYS 841           HB3      CYS  31  16.491  -1.341  -4.014
  216    HA   PRO 842           HA       PRO  32  12.872   2.444  -4.569
  217    HB2  PRO 842           HB2      PRO  32  10.966   0.827  -5.649
  218    HB3  PRO 842           HB3      PRO  32  12.296   1.448  -6.663
  219    HG2  PRO 842           HG2      PRO  32  12.171  -1.190  -5.169
  220    HG3  PRO 842           HG3      PRO  32  12.455  -0.997  -6.913
  221    HD2  PRO 842           HD2      PRO  32  14.589  -1.197  -5.318
  222    HD3  PRO 842           HD3      PRO  32  14.552  -0.003  -6.639
  223    HA   PRO 843           HA       PRO  33  11.093   1.184  -0.701
  224    HB2  PRO 843           HB2      PRO  33   8.266   0.950  -1.603
  225    HB3  PRO 843           HB3      PRO  33   8.982   2.062  -0.404
  226    HG2  PRO 843           HG2      PRO  33   8.150   2.821  -2.898
  227    HG3  PRO 843           HG3      PRO  33   9.539   3.625  -2.071
  228    HD2  PRO 843           HD2      PRO  33   9.532   1.507  -4.221
  229    HD3  PRO 843           HD3      PRO  33  10.605   2.938  -4.047
  230    H    GLU 844           H        GLU  34  10.160  -0.848  -3.414
  231    HA   GLU 844           HA       GLU  34   8.784  -2.844  -1.847
  232    HB2  GLU 844           HB2      GLU  34   8.681  -2.016  -4.435
  233    HB3  GLU 844           HB3      GLU  34   9.797  -3.351  -4.655
  234    HG2  GLU 844           HG2      GLU  34   8.196  -4.856  -3.491
  235    HG3  GLU 844           HG3      GLU  34   7.061  -3.514  -3.338
  236    H    MET 845           H        MET  35  11.921  -2.216  -2.901
  237    HA   MET 845           HA       MET  35  13.243  -4.800  -2.315
  238    HB2  MET 845           HB2      MET  35  12.712  -4.381  -4.678
  239    HB3  MET 845           HB3      MET  35  13.375  -2.789  -4.602
  240    HG2  MET 845           HG2      MET  35  15.460  -3.552  -5.053
  241    HG3  MET 845           HG3      MET  35  15.270  -4.682  -3.720
  242    HE1  MET 845           HE1      MET  35  16.554  -6.704  -4.453
  243    HE2  MET 845           HE2      MET  35  17.224  -5.673  -5.737
  244    HE3  MET 845           HE3      MET  35  16.618  -7.303  -6.123
  245    H    SER 846           H        SER  36  12.899  -2.754  -0.467
  246    HA   SER 846           HA       SER  36  14.870  -0.620  -0.810
  247    HB2  SER 846           HB2      SER  36  13.919   0.160   1.404
  248    HB3  SER 846           HB3      SER  36  12.852   0.079  -0.014
  249    HG   SER 846           HG       SER  36  11.705  -1.472   0.892
  250    H    LEU 847           H        LEU  37  16.593  -2.164  -0.943
  251    HA   LEU 847           HA       LEU  37  17.601  -3.514   1.291
  252    HB2  LEU 847           HB2      LEU  37  18.896  -2.334  -1.153
  253    HB3  LEU 847           HB3      LEU  37  19.865  -2.878   0.215
  254    HG   LEU 847           HG       LEU  37  18.423  -5.070  -0.082
  255   HD11  LEU 847          HD11      LEU  37  17.166  -4.443  -1.983
  256   HD12  LEU 847          HD12      LEU  37  18.365  -5.676  -2.449
  257   HD13  LEU 847          HD13      LEU  37  18.659  -3.963  -2.844
  258   HD21  LEU 847          HD21      LEU  37  20.884  -4.391  -1.691
  259   HD22  LEU 847          HD22      LEU  37  20.352  -6.027  -1.234
  260   HD23  LEU 847          HD23      LEU  37  20.879  -4.880   0.004
  261    H    ASP 848           H        ASP  38  19.134  -3.090   2.715
  262    HA   ASP 848           HA       ASP  38  20.318  -0.476   3.106
  263    HB2  ASP 848           HB2      ASP  38  18.858  -1.785   5.428
  264    HB3  ASP 848           HB3      ASP  38  19.854  -0.330   5.473
  265    H    PHE 849           H        PHE  39  22.244  -0.705   4.304
  266    HA   PHE 849           HA       PHE  39  23.100  -3.450   4.993
  267    HB2  PHE 849           HB2      PHE  39  24.674  -1.346   3.514
  268    HB3  PHE 849           HB3      PHE  39  25.371  -2.791   4.215
  269    HD1  PHE 849           HD1      PHE  39  23.080  -4.773   3.302
  270    HD2  PHE 849           HD2      PHE  39  25.320  -1.712   1.253
  271    HE1  PHE 849           HE1      PHE  39  22.766  -5.966   1.146
  272    HE2  PHE 849           HE2      PHE  39  25.066  -2.952  -0.869
  273    HZ   PHE 849           HZ       PHE  39  23.786  -5.076  -0.929
  274    H    CYS 850           H        CYS  40  24.793  -3.551   6.566
  275    HA   CYS 850           HA       CYS  40  24.797  -1.254   8.424
  276    HB2  CYS 850           HB2      CYS  40  25.652  -2.831  10.091
  277    HB3  CYS 850           HB3      CYS  40  24.155  -3.423   9.378
  278    H    ASP 851           H        ASP  41  27.010  -0.741   9.465
  279    HA   ASP 851           HA       ASP  41  28.758  -0.056   7.272
  280    HB2  ASP 851           HB2      ASP  41  28.392   1.377   9.151
  281    HB3  ASP 851           HB3      ASP  41  29.182   0.287  10.266
  282    H    SER 852           H        SER  42  28.629  -2.868   9.222
  283    HA   SER 852           HA       SER  42  31.312  -3.891   8.639
  284    HB2  SER 852           HB2      SER  42  28.671  -5.294   9.152
  285    HB3  SER 852           HB3      SER  42  30.196  -6.101   9.135
  286    HG   SER 852           HG       SER  42  30.828  -4.893  11.007
  287    H    CYS 853           H        CYS  43  28.417  -3.421   6.762
  288    HA   CYS 853           HA       CYS  43  29.123  -5.615   4.924
  289    HB2  CYS 853           HB2      CYS  43  26.490  -4.603   5.993
  290    HB3  CYS 853           HB3      CYS  43  26.562  -5.407   4.421
  291    H    SER 854           H        SER  44  28.292  -2.079   4.855
  292    HA   SER 854           HA       SER  44  27.365  -2.261   2.138
  293    HB2  SER 854           HB2      SER  44  26.805  -0.492   3.916
  294    HB3  SER 854           HB3      SER  44  28.259   0.328   3.306
  295    HG   SER 854           HG       SER  44  27.392   0.482   1.310
  296    H    ASP 855           H        ASP  45  30.470  -2.657   3.019
  297    HA   ASP 855           HA       ASP  45  31.880  -1.230   0.878
  298    HB2  ASP 855           HB2      ASP  45  33.707  -2.800   1.478
  299    HB3  ASP 855           HB3      ASP  45  33.092  -1.921   2.866
  300    H    CYS 856           H        CYS  46  29.871  -4.019   1.268
  301    HA   CYS 856           HA       CYS  46  30.889  -5.438  -1.059
  302    HB2  CYS 856           HB2      CYS  46  29.958  -6.598   0.938
  303    HB3  CYS 856           HB3      CYS  46  28.352  -5.928   0.560
  304    HG   CYS 856           HG       CYS  46  30.313  -8.062  -1.067
  305    H    LEU 857           H        LEU  47  29.629  -5.852  -2.943
  306    HA   LEU 857           HA       LEU  47  27.652  -3.783  -3.784
  307    HB2  LEU 857           HB2      LEU  47  30.041  -2.902  -3.906
  308    HB3  LEU 857           HB3      LEU  47  30.324  -4.103  -5.167
  309    HG   LEU 857           HG       LEU  47  28.410  -3.075  -6.449
  310   HD11  LEU 857          HD11      LEU  47  28.592  -0.927  -4.299
  311   HD12  LEU 857          HD12      LEU  47  27.159  -1.898  -4.729
  312   HD13  LEU 857          HD13      LEU  47  27.785  -0.712  -5.865
  313   HD21  LEU 857          HD21      LEU  47  30.702  -1.189  -5.719
  314   HD22  LEU 857          HD22      LEU  47  29.731  -1.116  -7.206
  315   HD23  LEU 857          HD23      LEU  47  30.789  -2.506  -6.912
  316    H    HIS 858           H        HIS  48  26.452  -5.848  -3.653
  317    HA   HIS 858           HA       HIS  48  26.676  -7.832  -5.796
  318    HB2  HIS 858           HB2      HIS  48  24.219  -7.075  -4.162
  319    HB3  HIS 858           HB3      HIS  48  24.492  -8.587  -5.014
  320    HD2  HIS 858           HD2      HIS  48  24.127  -7.546  -1.707
  321    HE1  HIS 858           HE1      HIS  48  27.228 -10.478  -1.366
  322    HE2  HIS 858           HE2      HIS  48  25.554  -9.102  -0.058
  323    H    GLU 859           H        GLU  49  25.067  -8.342  -7.267
  324    HA   GLU 859           HA       GLU  49  23.431  -6.106  -8.252
  325    HB2  GLU 859           HB2      GLU  49  24.910  -8.075 -10.012
  326    HB3  GLU 859           HB3      GLU  49  23.861  -6.750 -10.446
  327    HG2  GLU 859           HG2      GLU  49  25.654  -5.258  -9.155
  328    HG3  GLU 859           HG3      GLU  49  26.687  -6.634  -9.502
  329    H    THR 860           H        THR  50  21.420  -6.666  -8.036
  330    HA   THR 860           HA       THR  50  20.338  -9.219  -8.935
  331    HB   THR 860           HB       THR  50  21.009  -9.948  -6.745
  332    HG1  THR 860           HG1      THR  50  19.074 -10.800  -7.341
  333   HG21  THR 860          HG21      THR  50  20.198  -9.045  -4.661
  334   HG22  THR 860          HG22      THR  50  19.305  -7.759  -5.480
  335   HG23  THR 860          HG23      THR  50  21.084  -7.780  -5.513
  336    H    ASP 861           H        ASP  51  18.793  -8.730 -10.115
  337    HA   ASP 861           HA       ASP  51  17.122  -7.786 -11.223
  338    HB2  ASP 861           HB2      ASP  51  15.990  -7.358  -8.451
  339    HB3  ASP 861           HB3      ASP  51  15.083  -7.316  -9.963
  340    H    ILE 862           H        ILE  52  17.753  -5.576  -8.590
  341    HA   ILE 862           HA       ILE  52  17.423  -3.136 -10.286
  342    HB   ILE 862           HB       ILE  52  16.111  -3.667  -7.574
  343   HG12  ILE 862          HG12      ILE  52  15.031  -3.651 -10.389
  344   HG13  ILE 862          HG13      ILE  52  14.884  -4.892  -9.161
  345   HG21  ILE 862          HG21      ILE  52  16.376  -1.205  -9.314
  346   HG22  ILE 862          HG22      ILE  52  16.764  -1.412  -7.589
  347   HG23  ILE 862          HG23      ILE  52  15.083  -1.365  -8.112
  348   HD11  ILE 862          HD11      ILE  52  13.369  -2.270  -9.224
  349   HD12  ILE 862          HD12      ILE  52  13.391  -3.379  -7.823
  350   HD13  ILE 862          HD13      ILE  52  12.737  -3.909  -9.387
  351    H    HIS 863           H        HIS  53  18.659  -4.643  -7.308
  352    HA   HIS 863           HA       HIS  53  20.335  -2.341  -6.599
  353    HB2  HIS 863           HB2      HIS  53  19.388  -3.799  -4.901
  354    HB3  HIS 863           HB3      HIS  53  20.126  -5.207  -5.598
  355    HD2  HIS 863           HD2      HIS  53  22.728  -5.611  -5.160
  356    HE1  HIS 863           HE1      HIS  53  23.373  -2.376  -2.482
  357    H    LYS 864           H        LYS  54  22.451  -2.095  -7.323
  358    HA   LYS 864           HA       LYS  54  23.710  -4.083  -9.132
  359    HB2  LYS 864           HB2      LYS  54  23.047  -1.219  -9.931
  360    HB3  LYS 864           HB3      LYS  54  23.970  -2.348 -10.910
  361    HG2  LYS 864           HG2      LYS  54  21.066  -2.570 -10.189
  362    HG3  LYS 864           HG3      LYS  54  21.679  -1.961 -11.707
  363    HD2  LYS 864           HD2      LYS  54  22.544  -4.078 -12.388
  364    HD3  LYS 864           HD3      LYS  54  22.288  -4.808 -10.793
  365    HE2  LYS 864           HE2      LYS  54  19.902  -4.602 -10.964
  366    HE3  LYS 864           HE3      LYS  54  20.010  -3.649 -12.440
  367    HZ1  LYS 864           HZ1      LYS  54  19.477  -5.950 -13.000
  368    HZ2  LYS 864           HZ2      LYS  54  20.817  -6.523 -12.252
  369    HZ3  LYS 864           HZ3      LYS  54  20.947  -5.597 -13.595
  370    H    GLU 865           H        GLU  55  25.844  -3.289  -9.933
  371    HA   GLU 865           HA       GLU  55  27.374  -1.982  -7.859
  372    HB2  GLU 865           HB2      GLU  55  27.981  -2.688 -10.725
  373    HB3  GLU 865           HB3      GLU  55  29.164  -1.905  -9.681
  374    HG2  GLU 865           HG2      GLU  55  29.369  -3.830  -8.293
  375    HG3  GLU 865           HG3      GLU  55  27.917  -4.571  -8.950
  376    H    ASP 866           H        ASP  56  25.227  -0.793 -10.191
  377    HA   ASP 866           HA       ASP  56  26.679   1.761 -10.761
  378    HB2  ASP 866           HB2      ASP  56  25.571   0.493 -12.604
  379    HB3  ASP 866           HB3      ASP  56  24.018   0.662 -11.778
  380    H    HIS 867           H        HIS  57  23.926   0.399  -9.073
  381    HA   HIS 867           HA       HIS  57  22.623   2.704  -8.100
  382    HB2  HIS 867           HB2      HIS  57  21.355   0.821  -7.982
  383    HB3  HIS 867           HB3      HIS  57  22.716  -0.259  -7.735
  384    HD2  HIS 867           HD2      HIS  57  23.520  -0.655  -5.280
  385    HE1  HIS 867           HE1      HIS  57  20.360   1.567  -3.413
  386    H    GLN 868           H        GLN  58  22.817   3.683  -6.126
  387    HA   GLN 868           HA       GLN  58  25.575   3.799  -5.051
  388    HB2  GLN 868           HB2      GLN  58  23.362   5.843  -5.137
  389    HB3  GLN 868           HB3      GLN  58  24.971   6.107  -4.432
  390    HG2  GLN 868           HG2      GLN  58  24.342   5.482  -7.361
  391    HG3  GLN 868           HG3      GLN  58  24.722   7.054  -6.673
  392   HE21  GLN 868          HE21      GLN  58  26.124   4.288  -8.207
  393   HE22  GLN 868          HE22      GLN  58  27.778   4.638  -7.726
  394    H    LEU 869           H        LEU  59  26.109   4.060  -2.841
  395    HA   LEU 869           HA       LEU  59  23.999   3.273  -0.886
  396    HB2  LEU 869           HB2      LEU  59  27.010   2.942  -0.671
  397    HB3  LEU 869           HB3      LEU  59  25.792   2.366   0.434
  398    HG   LEU 869           HG       LEU  59  26.740   0.593  -0.785
  399   HD11  LEU 869          HD11      LEU  59  24.451   0.377  -0.048
  400   HD12  LEU 869          HD12      LEU  59  24.685  -0.533  -1.556
  401   HD13  LEU 869          HD13      LEU  59  23.844   1.013  -1.617
  402   HD21  LEU 869          HD21      LEU  59  25.595   1.415  -3.435
  403   HD22  LEU 869          HD22      LEU  59  26.648   0.072  -3.030
  404   HD23  LEU 869          HD23      LEU  59  27.286   1.722  -2.950
  405    H    GLU 870           H        GLU  60  23.827   4.414   1.061
  406    HA   GLU 870           HA       GLU  60  25.383   6.964   1.309
  407    HB2  GLU 870           HB2      GLU  60  23.402   7.556   0.312
  408    HB3  GLU 870           HB3      GLU  60  22.407   6.503   1.326
  409    HG2  GLU 870           HG2      GLU  60  22.659   7.954   3.222
  410    HG3  GLU 870           HG3      GLU  60  23.963   8.841   2.429
  411    HA   PRO 871           HA       PRO  61  25.627   5.515   5.679
  412    HB2  PRO 871           HB2      PRO  61  27.459   7.287   6.542
  413    HB3  PRO 871           HB3      PRO  61  27.900   5.863   5.557
  414    HG2  PRO 871           HG2      PRO  61  27.564   8.741   4.685
  415    HG3  PRO 871           HG3      PRO  61  28.825   7.571   4.204
  416    HD2  PRO 871           HD2      PRO  61  26.548   8.160   2.716
  417    HD3  PRO 871           HD3      PRO  61  27.446   6.624   2.588
  418    H    ILE 872           H        ILE  62  24.292   6.149   7.235
  419    HA   ILE 872           HA       ILE  62  23.511   9.022   7.526
  420    HB   ILE 872           HB       ILE  62  21.700   6.601   7.872
  421   HG12  ILE 872          HG12      ILE  62  21.745   8.660   5.614
  422   HG13  ILE 872          HG13      ILE  62  22.200   6.958   5.477
  423   HG21  ILE 872          HG21      ILE  62  19.951   8.284   8.240
  424   HG22  ILE 872          HG22      ILE  62  21.107   9.597   7.920
  425   HG23  ILE 872          HG23      ILE  62  21.271   8.574   9.355
  426   HD11  ILE 872          HD11      ILE  62  19.885   6.282   6.088
  427   HD12  ILE 872          HD12      ILE  62  20.002   7.209   4.577
  428   HD13  ILE 872          HD13      ILE  62  19.406   8.001   6.039
  429    H    TYR 873           H        TYR  63  24.237   9.783   9.391
  430    HA   TYR 873           HA       TYR  63  24.861   7.922  11.596
  431    HB2  TYR 873           HB2      TYR  63  25.536  10.855  11.385
  432    HB3  TYR 873           HB3      TYR  63  26.048   9.657  12.587
  433    HD1  TYR 873           HD1      TYR  63  26.284   7.720   9.770
  434    HD2  TYR 873           HD2      TYR  63  28.125  11.229  11.465
  435    HE1  TYR 873           HE1      TYR  63  28.395   7.151   8.625
  436    HE2  TYR 873           HE2      TYR  63  30.214  10.728  10.216
  437    HH   TYR 873           HH       TYR  63  31.294   9.273   8.775
  438    H    ARG 874           H        ARG  64  22.150   8.608  11.074
  439    HA   ARG 874           HA       ARG  64  21.316   9.044  13.803
  440    HB2  ARG 874           HB2      ARG  64  20.191  10.691  11.474
  441    HB3  ARG 874           HB3      ARG  64  19.426  10.604  13.054
  442    HG2  ARG 874           HG2      ARG  64  22.168  11.793  12.473
  443    HG3  ARG 874           HG3      ARG  64  20.695  12.684  12.808
  444    HD2  ARG 874           HD2      ARG  64  21.938  10.678  14.728
  445    HD3  ARG 874           HD3      ARG  64  22.290  12.409  14.789
  446    HE   ARG 874           HE       ARG  64  19.809  11.042  15.604
  447   HH11  ARG 874          HH11      ARG  64  18.198  12.178  16.620
  448   HH12  ARG 874          HH12      ARG  64  18.283  13.912  16.718
  449   HH21  ARG 874          HH21      ARG  64  21.221  14.192  14.974
  450   HH22  ARG 874          HH22      ARG  64  19.936  15.029  15.803
  451    H1   ALA   1           H1       ALA  65  16.659  -2.295   4.197
  452    H2   ALA   1           H2       ALA  65  17.371  -3.690   3.654
  453    H3   ALA   1           H3       ALA  65  17.151  -3.455   5.259
  454    HA   ALA   1           HA       ALA  65  15.051  -3.750   3.262
  455    HB1  ALA   1           HB1      ALA  65  14.588  -5.897   4.719
  456    HB2  ALA   1           HB2      ALA  65  16.351  -5.797   4.952
  457    HB3  ALA   1           HB3      ALA  65  15.646  -5.847   3.309
  458    H    ARG   2           H        ARG  66  12.953  -3.279   3.867
  459    HA   ARG   2           HA       ARG  66  12.390  -1.903   6.395
  460    HB2  ARG   2           HB2      ARG  66  10.694  -3.038   4.128
  461    HB3  ARG   2           HB3      ARG  66   9.967  -2.319   5.567
  462    HG2  ARG   2           HG2      ARG  66  10.809  -0.157   5.090
  463    HG3  ARG   2           HG3      ARG  66  12.009  -0.772   3.956
  464    HD2  ARG   2           HD2      ARG  66  10.258   0.260   2.675
  465    HD3  ARG   2           HD3      ARG  66  10.195  -1.490   2.423
  466    HE   ARG   2           HE       ARG  66   8.397  -0.498   4.517
  467   HH11  ARG   2          HH11      ARG  66   6.200  -0.690   4.207
  468   HH12  ARG   2          HH12      ARG  66   5.564  -1.016   2.626
  469   HH21  ARG   2          HH21      ARG  66   8.631  -1.174   1.064
  470   HH22  ARG   2          HH22      ARG  66   6.899  -1.305   0.897
  471    H    THR   3           H        THR  67  11.939  -2.789   8.317
  472    HA   THR   3           HA       THR  67  11.124  -5.658   8.523
  473    HB   THR   3           HB       THR  67  13.432  -4.520  10.124
  474    HG1  THR   3           HG1      THR  67  13.516  -5.933   7.657
  475   HG21  THR   3          HG21      THR  67  12.626  -6.643  11.018
  476   HG22  THR   3          HG22      THR  67  14.132  -6.915  10.148
  477   HG23  THR   3          HG23      THR  67  12.593  -7.360   9.386
  478    H    LYS   4           H        LYS  68   9.601  -3.199   8.979
  479    HA   LYS   4           HA       LYS  68   8.496  -3.915  11.610
  480    HB2  LYS   4           HB2      LYS  68  10.252  -2.234  12.083
  481    HB3  LYS   4           HB3      LYS  68   9.433  -1.060  11.050
  482    HG2  LYS   4           HG2      LYS  68   7.579  -0.906  12.584
  483    HG3  LYS   4           HG3      LYS  68   8.072  -2.379  13.431
  484    HD2  LYS   4           HD2      LYS  68   8.582  -0.462  14.811
  485    HD3  LYS   4           HD3      LYS  68  10.075  -1.255  14.312
  486    HE2  LYS   4           HE2      LYS  68  10.363   0.497  12.519
  487    HE3  LYS   4           HE3      LYS  68   8.888   1.287  13.091
  488    HZ1  LYS   4           HZ1      LYS  68  10.011   1.587  15.277
  489    HZ2  LYS   4           HZ2      LYS  68  10.830   2.336  14.080
  490    HZ3  LYS   4           HZ3      LYS  68  11.394   0.920  14.678
  491    H    GLN   5           H        GLN  69   6.315  -3.500  11.799
  492    HA   GLN   5           HA       GLN  69   4.909  -3.288   9.272
  493    HB2  GLN   5           HB2      GLN  69   3.900  -3.618  12.128
  494    HB3  GLN   5           HB3      GLN  69   2.904  -3.738  10.673
  495    HG2  GLN   5           HG2      GLN  69   4.354  -5.607   9.850
  496    HG3  GLN   5           HG3      GLN  69   5.243  -5.564  11.374
  497   HE21  GLN   5          HE21      GLN  69   4.218  -7.966  10.848
  498   HE22  GLN   5          HE22      GLN  69   2.758  -8.255  11.784
  499    H    THR   6           H        THR  70   5.375  -1.045  11.934
  500    HA   THR   6           HA       THR  70   4.678   1.057  12.390
  501    HB   THR   6           HB       THR  70   4.943   2.717  10.668
  502    HG1  THR   6           HG1      THR  70   3.975   1.722   8.890
  503   HG21  THR   6          HG21      THR  70   7.220   2.226  10.004
  504   HG22  THR   6          HG22      THR  70   6.996   0.496  10.330
  505   HG23  THR   6          HG23      THR  70   6.948   1.678  11.666
  506    H    ALA   7           H        ALA  71   2.482  -0.687  12.315
  507    HA   ALA   7           HA       ALA  71   0.293   1.265  12.087
  508    HB1  ALA   7           HB1      ALA  71   0.263  -1.394  10.586
  509    HB2  ALA   7           HB2      ALA  71   0.361   0.218   9.843
  510    HB3  ALA   7           HB3      ALA  71  -1.100  -0.267  10.722
  511    H    ARG   8           H        ARG  72  -1.655   0.603  13.169
  512    HA   ARG   8           HA       ARG  72  -1.183  -0.900  15.637
  513    HB2  ARG   8           HB2      ARG  72  -3.694   0.397  14.484
  514    HB3  ARG   8           HB3      ARG  72  -3.596  -0.345  16.084
  515    HG2  ARG   8           HG2      ARG  72  -1.768   1.231  16.707
  516    HG3  ARG   8           HG3      ARG  72  -1.942   2.052  15.154
  517    HD2  ARG   8           HD2      ARG  72  -4.141   1.756  17.246
  518    HD3  ARG   8           HD3      ARG  72  -3.119   3.186  17.049
  519    HE   ARG   8           HE       ARG  72  -4.233   2.766  14.526
  520   HH11  ARG   8          HH11      ARG  72  -5.520   3.505  17.697
  521   HH12  ARG   8          HH12      ARG  72  -6.916   4.324  17.047
  522   HH21  ARG   8          HH21      ARG  72  -6.042   3.812  13.754
  523   HH22  ARG   8          HH22      ARG  72  -7.191   4.493  14.869
  524    H    LYS   9           H        LYS  73  -2.365  -2.675  16.401
  525    HA   LYS   9           HA       LYS  73  -2.681  -4.869  14.562
  526    HB2  LYS   9           HB2      LYS  73  -3.334  -6.173  16.485
  527    HB3  LYS   9           HB3      LYS  73  -1.945  -5.172  16.891
  528    HG2  LYS   9           HG2      LYS  73  -3.427  -3.564  18.067
  529    HG3  LYS   9           HG3      LYS  73  -4.840  -4.544  17.662
  530    HD2  LYS   9           HD2      LYS  73  -2.490  -5.508  19.347
  531    HD3  LYS   9           HD3      LYS  73  -4.004  -4.844  19.985
  532    HE2  LYS   9           HE2      LYS  73  -5.285  -6.655  18.831
  533    HE3  LYS   9           HE3      LYS  73  -3.762  -7.358  18.264
  534    HZ1  LYS   9           HZ1      LYS  73  -4.529  -7.041  21.121
  535    HZ2  LYS   9           HZ2      LYS  73  -3.111  -7.676  20.603
  536    HZ3  LYS   9           HZ3      LYS  73  -4.515  -8.446  20.295
  537    H    SER  10           H        SER  74  -4.548  -6.213  14.262
  538    HA   SER  10           HA       SER  74  -6.970  -4.800  13.505
  539    HB2  SER  10           HB2      SER  74  -6.190  -6.773  12.290
  540    HB3  SER  10           HB3      SER  74  -6.388  -7.776  13.742
  541    HG   SER  10           HG       SER  74  -8.180  -7.841  12.211
  542    H    THR  11           H        THR  75  -9.083  -5.131  14.331
  543    HA   THR  11           HA       THR  75  -9.376  -5.227  17.221
  544    HB   THR  11           HB       THR  75 -10.781  -3.843  15.708
  545    HG1  THR  11           HG1      THR  75 -11.575  -4.299  17.745
  546   HG21  THR  11          HG21      THR  75 -12.673  -4.800  14.520
  547   HG22  THR  11          HG22      THR  75 -12.200  -6.447  14.979
  548   HG23  THR  11          HG23      THR  75 -11.180  -5.494  13.876
  549    H    GLY  12           H        GLY  76  -9.395  -7.665  14.737
  550    HA2  GLY  12           HA2      GLY  76  -9.417  -9.870  16.545
  551    HA3  GLY  12           HA3      GLY  76 -11.029  -9.701  15.853
  Start of MODEL   20
    1    H1   GLY 811           H1       GLY   1  21.481  11.107  19.372
    2    H2   GLY 811           H2       GLY   1  20.299  10.078  19.822
    3    H3   GLY 811           H3       GLY   1  20.627  10.298  18.233
    4    HA2  GLY 811           HA2      GLY   1  22.432   9.020  20.213
    5    HA3  GLY 811           HA3      GLY   1  21.511   8.172  18.978
    6    HA   PRO 812           HA       PRO   2  25.305  10.508  16.986
    7    HB2  PRO 812           HB2      PRO   2  27.312   9.560  19.018
    8    HB3  PRO 812           HB3      PRO   2  27.245  11.126  18.152
    9    HG2  PRO 812           HG2      PRO   2  26.525  11.000  20.733
   10    HG3  PRO 812           HG3      PRO   2  25.504  11.930  19.584
   11    HD2  PRO 812           HD2      PRO   2  25.098   9.076  20.546
   12    HD3  PRO 812           HD3      PRO   2  23.936  10.441  20.535
   13    H    LEU 813           H        LEU   3  27.360   9.658  15.991
   14    HA   LEU 813           HA       LEU   3  26.982   7.184  14.759
   15    HB2  LEU 813           HB2      LEU   3  28.300   8.973  13.845
   16    HB3  LEU 813           HB3      LEU   3  29.483   8.887  15.140
   17    HG   LEU 813           HG       LEU   3  29.069   6.409  13.474
   18   HD11  LEU 813          HD11      LEU   3  29.151   8.223  11.803
   19   HD12  LEU 813          HD12      LEU   3  30.601   7.218  11.739
   20   HD13  LEU 813          HD13      LEU   3  30.662   8.822  12.520
   21   HD21  LEU 813          HD21      LEU   3  30.714   6.363  15.315
   22   HD22  LEU 813          HD22      LEU   3  31.575   7.725  14.570
   23   HD23  LEU 813          HD23      LEU   3  31.472   6.157  13.738
   24    H    GLY 814           H        GLY   4  27.610   5.094  15.106
   25    HA2  GLY 814           HA2      GLY   4  28.509   3.225  16.229
   26    HA3  GLY 814           HA3      GLY   4  29.227   4.279  17.460
   27    H    SER 815           H        SER   5  26.264   5.531  17.459
   28    HA   SER 815           HA       SER   5  24.860   3.344  18.945
   29    HB2  SER 815           HB2      SER   5  24.386   6.278  19.432
   30    HB3  SER 815           HB3      SER   5  23.969   4.918  20.473
   31    HG   SER 815           HG       SER   5  26.574   6.000  20.051
   32    H    VAL 816           H        VAL   6  24.706   4.577  16.002
   33    HA   VAL 816           HA       VAL   6  21.873   5.344  15.999
   34    HB   VAL 816           HB       VAL   6  24.089   5.097  13.961
   35   HG11  VAL 816          HG11      VAL   6  22.437   6.118  12.385
   36   HG12  VAL 816          HG12      VAL   6  21.166   5.605  13.539
   37   HG13  VAL 816          HG13      VAL   6  22.237   4.377  12.760
   38   HG21  VAL 816          HG21      VAL   6  22.205   7.277  14.892
   39   HG22  VAL 816          HG22      VAL   6  23.644   7.478  13.823
   40   HG23  VAL 816          HG23      VAL   6  23.861   7.062  15.522
   41    H    GLN 817           H        GLN   7  20.420   3.897  16.130
   42    HA   GLN 817           HA       GLN   7  20.890   1.105  15.168
   43    HB2  GLN 817           HB2      GLN   7  19.511   0.440  17.194
   44    HB3  GLN 817           HB3      GLN   7  21.204   0.880  17.452
   45    HG2  GLN 817           HG2      GLN   7  20.641   3.068  18.273
   46    HG3  GLN 817           HG3      GLN   7  18.952   2.879  17.923
   47   HE21  GLN 817          HE21      GLN   7  19.623   3.707  20.380
   48   HE22  GLN 817          HE22      GLN   7  19.630   2.426  21.575
   49    H    HIS 818           H        HIS   8  19.795   1.216  13.354
   50    HA   HIS 818           HA       HIS   8  17.275   2.630  13.223
   51    HB2  HIS 818           HB2      HIS   8  19.010   1.155  11.268
   52    HB3  HIS 818           HB3      HIS   8  17.338   1.515  10.848
   53    HD2  HIS 818           HD2      HIS   8  20.236   3.627  12.315
   54    HE1  HIS 818           HE1      HIS   8  17.536   6.212  10.259
   55    HE2  HIS 818           HE2      HIS   8  19.649   6.158  11.627
   56    H    VAL 819           H        VAL   9  16.588   1.150  15.083
   57    HA   VAL 819           HA       VAL   9  15.607  -1.458  14.930
   58    HB   VAL 819           HB       VAL   9  14.585   0.934  16.434
   59   HG11  VAL 819          HG11      VAL   9  12.819  -0.817  16.378
   60   HG12  VAL 819          HG12      VAL   9  13.585  -0.726  17.972
   61   HG13  VAL 819          HG13      VAL   9  14.036  -2.036  16.866
   62   HG21  VAL 819          HG21      VAL   9  16.911   0.307  16.977
   63   HG22  VAL 819          HG22      VAL   9  16.412  -1.382  17.209
   64   HG23  VAL 819          HG23      VAL   9  15.828  -0.110  18.303
   65    H    GLY 820           H        GLY  10  14.561  -2.314  13.297
   66    HA2  GLY 820           HA2      GLY  10  12.473  -2.663  12.121
   67    HA3  GLY 820           HA3      GLY  10  12.240  -0.942  11.992
   68    H    PHE 821           H        PHE  11  15.532  -1.652  11.274
   69    HA   PHE 821           HA       PHE  11  14.923  -2.068   8.379
   70    HB2  PHE 821           HB2      PHE  11  16.774   0.063   9.430
   71    HB3  PHE 821           HB3      PHE  11  16.440  -0.284   7.753
   72    HD1  PHE 821           HD1      PHE  11  15.107   1.243  10.856
   73    HD2  PHE 821           HD2      PHE  11  14.289   0.378   6.719
   74    HE1  PHE 821           HE1      PHE  11  13.244   2.877  10.897
   75    HE2  PHE 821           HE2      PHE  11  12.408   2.032   6.762
   76    HZ   PHE 821           HZ       PHE  11  11.890   3.267   8.847
   77    H    LYS 822           H        LYS  12  15.773  -3.946   8.043
   78    HA   LYS 822           HA       LYS  12  18.024  -5.044   9.451
   79    HB2  LYS 822           HB2      LYS  12  16.028  -6.351   8.859
   80    HB3  LYS 822           HB3      LYS  12  16.307  -6.027   7.159
   81    HG2  LYS 822           HG2      LYS  12  18.581  -7.276   7.511
   82    HG3  LYS 822           HG3      LYS  12  17.903  -7.887   8.985
   83    HD2  LYS 822           HD2      LYS  12  16.569  -8.121   6.281
   84    HD3  LYS 822           HD3      LYS  12  17.751  -9.300   6.835
   85    HE2  LYS 822           HE2      LYS  12  16.427  -9.814   8.792
   86    HE3  LYS 822           HE3      LYS  12  15.162  -8.653   8.331
   87    HZ1  LYS 822           HZ1      LYS  12  14.756 -10.026   6.322
   88    HZ2  LYS 822           HZ2      LYS  12  14.573 -10.935   7.661
   89    HZ3  LYS 822           HZ3      LYS  12  15.917 -11.092   6.763
   90    H    CYS 823           H        CYS  13  20.091  -5.581   8.625
   91    HA   CYS 823           HA       CYS  13  21.145  -4.379   6.164
   92    HB2  CYS 823           HB2      CYS  13  22.635  -4.650   8.097
   93    HB3  CYS 823           HB3      CYS  13  22.245  -6.368   8.180
   94    H    ASP 824           H        ASP  14  20.469  -5.339   4.185
   95    HA   ASP 824           HA       ASP  14  19.421  -8.001   4.039
   96    HB2  ASP 824           HB2      ASP  14  20.546  -6.287   1.795
   97    HB3  ASP 824           HB3      ASP  14  19.600  -7.749   1.583
   98    H    ASN 825           H        ASN  15  22.718  -7.048   4.156
   99    HA   ASN 825           HA       ASN  15  23.726  -9.270   2.507
  100    HB2  ASN 825           HB2      ASN  15  24.833  -7.034   2.448
  101    HB3  ASN 825           HB3      ASN  15  25.230  -7.221   4.154
  102   HD21  ASN 825          HD21      ASN  15  27.282  -7.904   4.497
  103   HD22  ASN 825          HD22      ASN  15  28.133  -9.038   3.446
  104    H    CYS 826           H        CYS  16  24.031  -8.375   6.030
  105    HA   CYS 826           HA       CYS  16  24.674 -11.229   6.598
  106    HB2  CYS 826           HB2      CYS  16  25.757 -10.508   8.567
  107    HB3  CYS 826           HB3      CYS  16  26.384  -9.589   7.212
  108    H    GLY 827           H        GLY  17  22.043  -9.073   6.842
  109    HA2  GLY 827           HA2      GLY  17  19.928  -9.531   7.457
  110    HA3  GLY 827           HA3      GLY  17  20.389 -11.085   8.051
  111    H    ILE 828           H        ILE  18  22.144  -8.431   9.576
  112    HA   ILE 828           HA       ILE  18  20.734  -8.711  12.097
  113    HB   ILE 828           HB       ILE  18  22.958  -7.931  12.270
  114   HG12  ILE 828          HG12      ILE  18  21.412  -5.362  12.740
  115   HG13  ILE 828          HG13      ILE  18  20.992  -6.794  13.643
  116   HG21  ILE 828          HG21      ILE  18  22.346  -5.435  10.615
  117   HG22  ILE 828          HG22      ILE  18  23.235  -6.843  10.025
  118   HG23  ILE 828          HG23      ILE  18  23.899  -5.901  11.341
  119   HD11  ILE 828          HD11      ILE  18  23.724  -5.451  13.635
  120   HD12  ILE 828          HD12      ILE  18  23.325  -6.955  14.501
  121   HD13  ILE 828          HD13      ILE  18  22.524  -5.435  14.944
  122    H    GLU 829           H        GLU  19  18.820  -8.360  12.348
  123    HA   GLU 829           HA       GLU  19  17.204  -6.909  10.670
  124    HB2  GLU 829           HB2      GLU  19  15.443  -7.224  12.506
  125    HB3  GLU 829           HB3      GLU  19  16.019  -8.530  11.505
  126    HG2  GLU 829           HG2      GLU  19  17.130  -8.021  14.297
  127    HG3  GLU 829           HG3      GLU  19  15.674  -8.961  14.019
  128    HA   PRO 830           HA       PRO  20  17.635  -3.010  11.840
  129    HB2  PRO 830           HB2      PRO  20  17.613  -1.926  14.148
  130    HB3  PRO 830           HB3      PRO  20  16.272  -3.066  13.709
  131    HG2  PRO 830           HG2      PRO  20  18.713  -3.581  15.379
  132    HG3  PRO 830           HG3      PRO  20  17.029  -4.027  15.734
  133    HD2  PRO 830           HD2      PRO  20  18.984  -5.672  14.487
  134    HD3  PRO 830           HD3      PRO  20  17.217  -5.898  14.368
  135    H    ILE 831           H        ILE  21  19.241  -1.829  11.057
  136    HA   ILE 831           HA       ILE  21  21.938  -2.570  11.631
  137    HB   ILE 831           HB       ILE  21  20.734  -0.305  10.035
  138   HG12  ILE 831          HG12      ILE  21  22.306  -2.589   8.861
  139   HG13  ILE 831          HG13      ILE  21  20.724  -3.020   9.513
  140   HG21  ILE 831          HG21      ILE  21  22.924   0.476  10.630
  141   HG22  ILE 831          HG22      ILE  21  23.081  -0.222   9.015
  142   HG23  ILE 831          HG23      ILE  21  23.649  -1.132  10.424
  143   HD11  ILE 831          HD11      ILE  21  21.205  -0.753   7.514
  144   HD12  ILE 831          HD12      ILE  21  19.638  -1.351   8.058
  145   HD13  ILE 831          HD13      ILE  21  20.696  -2.392   7.076
  146    H    GLN 832           H        GLN  22  22.780  -2.260  13.577
  147    HA   GLN 832           HA       GLN  22  22.735   0.333  14.897
  148    HB2  GLN 832           HB2      GLN  22  24.151  -2.180  15.777
  149    HB3  GLN 832           HB3      GLN  22  23.877  -0.694  16.695
  150    HG2  GLN 832           HG2      GLN  22  21.265  -1.316  15.976
  151    HG3  GLN 832           HG3      GLN  22  21.960  -2.922  15.954
  152   HE21  GLN 832          HE21      GLN  22  19.849  -1.934  17.759
  153   HE22  GLN 832          HE22      GLN  22  20.532  -2.031  19.369
  154    H    GLY 833           H        GLY  23  24.465   1.646  15.314
  155    HA2  GLY 833           HA2      GLY  23  26.885   2.190  15.310
  156    HA3  GLY 833           HA3      GLY  23  27.042   1.288  13.822
  157    H    VAL 834           H        VAL  24  25.936   1.956  11.993
  158    HA   VAL 834           HA       VAL  24  24.724   4.597  11.717
  159    HB   VAL 834           HB       VAL  24  26.013   5.145   9.729
  160   HG11  VAL 834          HG11      VAL  24  27.963   6.066  10.784
  161   HG12  VAL 834          HG12      VAL  24  27.778   4.983  12.169
  162   HG13  VAL 834          HG13      VAL  24  26.538   6.227  11.842
  163   HG21  VAL 834          HG21      VAL  24  28.246   4.296   9.270
  164   HG22  VAL 834          HG22      VAL  24  27.017   3.070   9.009
  165   HG23  VAL 834          HG23      VAL  24  28.011   3.041  10.507
  166    H    ARG 835           H        ARG  25  23.148   4.465  10.099
  167    HA   ARG 835           HA       ARG  25  22.806   1.832   8.766
  168    HB2  ARG 835           HB2      ARG  25  20.846   2.777   9.632
  169    HB3  ARG 835           HB3      ARG  25  21.097   4.323   8.829
  170    HG2  ARG 835           HG2      ARG  25  20.665   3.282   6.624
  171    HG3  ARG 835           HG3      ARG  25  20.541   1.675   7.395
  172    HD2  ARG 835           HD2      ARG  25  18.650   2.398   8.719
  173    HD3  ARG 835           HD3      ARG  25  18.814   4.070   8.114
  174    HE   ARG 835           HE       ARG  25  18.358   2.180   5.951
  175   HH11  ARG 835          HH11      ARG  25  16.520   1.960   5.031
  176   HH12  ARG 835          HH12      ARG  25  15.056   2.781   5.599
  177   HH21  ARG 835          HH21      ARG  25  16.608   3.777   8.564
  178   HH22  ARG 835          HH22      ARG  25  15.103   3.674   7.695
  179    H    TRP 836           H        TRP  26  23.369   1.262   6.744
  180    HA   TRP 836           HA       TRP  26  24.297   3.387   4.854
  181    HB2  TRP 836           HB2      TRP  26  25.049   0.536   5.410
  182    HB3  TRP 836           HB3      TRP  26  25.166   1.060   3.811
  183    HD1  TRP 836           HD1      TRP  26  26.847   1.038   7.058
  184    HE1  TRP 836           HE1      TRP  26  29.204   2.035   6.834
  185    HE3  TRP 836           HE3      TRP  26  26.260   3.487   2.612
  186    HZ2  TRP 836           HZ2      TRP  26  30.519   3.993   5.149
  187    HZ3  TRP 836           HZ3      TRP  26  28.116   4.860   1.677
  188    HH2  TRP 836           HH2      TRP  26  30.230   5.139   2.948
  189    H    HIS 837           H        HIS  27  22.304   4.068   4.032
  190    HA   HIS 837           HA       HIS  27  20.184   2.143   3.311
  191    HB2  HIS 837           HB2      HIS  27  19.528   4.290   4.164
  192    HB3  HIS 837           HB3      HIS  27  20.536   5.137   2.983
  193    HD2  HIS 837           HD2      HIS  27  17.352   2.872   3.015
  194    HE1  HIS 837           HE1      HIS  27  17.084   5.483  -0.348
  195    HE2  HIS 837           HE2      HIS  27  15.862   3.702   1.005
  196    H    CYS 838           H        CYS  28  19.636   1.378   1.238
  197    HA   CYS 838           HA       CYS  28  21.556   1.810  -0.928
  198    HB2  CYS 838           HB2      CYS  28  19.188   0.060  -0.341
  199    HB3  CYS 838           HB3      CYS  28  19.572   0.373  -1.965
  200    H    GLN 839           H        GLN  29  21.464   3.668  -1.950
  201    HA   GLN 839           HA       GLN  29  19.356   5.568  -1.777
  202    HB2  GLN 839           HB2      GLN  29  21.914   5.373  -3.375
  203    HB3  GLN 839           HB3      GLN  29  20.909   6.734  -3.594
  204    HG2  GLN 839           HG2      GLN  29  21.767   5.972  -0.767
  205    HG3  GLN 839           HG3      GLN  29  22.881   6.783  -1.871
  206   HE21  GLN 839          HE21      GLN  29  22.333   8.960  -2.685
  207   HE22  GLN 839          HE22      GLN  29  21.138   9.902  -1.816
  208    H    ASP 840           H        ASP  30  19.925   3.116  -4.336
  209    HA   ASP 840           HA       ASP  30  18.038   4.617  -6.091
  210    HB2  ASP 840           HB2      ASP  30  20.432   2.998  -6.943
  211    HB3  ASP 840           HB3      ASP  30  19.232   3.518  -8.042
  212    H    CYS 841           H        CYS  31  18.502   1.644  -4.337
  213    HA   CYS 841           HA       CYS  31  16.641   0.120  -5.796
  214    HB2  CYS 841           HB2      CYS  31  16.766  -0.293  -2.855
  215    HB3  CYS 841           HB3      CYS  31  16.588  -1.372  -4.068
  216    HA   PRO 842           HA       PRO  32  12.852   2.299  -4.761
  217    HB2  PRO 842           HB2      PRO  32  11.064   0.580  -5.868
  218    HB3  PRO 842           HB3      PRO  32  12.413   1.206  -6.850
  219    HG2  PRO 842           HG2      PRO  32  12.308  -1.387  -5.263
  220    HG3  PRO 842           HG3      PRO  32  12.650  -1.236  -7.005
  221    HD2  PRO 842           HD2      PRO  32  14.703  -1.317  -5.274
  222    HD3  PRO 842           HD3      PRO  32  14.725  -0.206  -6.669
  223    HA   PRO 843           HA       PRO  33  10.974   0.975  -0.939
  224    HB2  PRO 843           HB2      PRO  33   8.208   0.632  -1.985
  225    HB3  PRO 843           HB3      PRO  33   8.813   1.755  -0.736
  226    HG2  PRO 843           HG2      PRO  33   8.081   2.528  -3.251
  227    HG3  PRO 843           HG3      PRO  33   9.410   3.356  -2.345
  228    HD2  PRO 843           HD2      PRO  33   9.569   1.281  -4.522
  229    HD3  PRO 843           HD3      PRO  33  10.581   2.745  -4.280
  230    H    GLU 844           H        GLU  34  10.212  -1.078  -3.725
  231    HA   GLU 844           HA       GLU  34   8.834  -3.120  -2.229
  232    HB2  GLU 844           HB2      GLU  34   8.913  -2.294  -4.847
  233    HB3  GLU 844           HB3      GLU  34   9.991  -3.669  -4.963
  234    HG2  GLU 844           HG2      GLU  34   8.261  -5.087  -3.869
  235    HG3  GLU 844           HG3      GLU  34   7.187  -3.692  -3.811
  236    H    MET 845           H        MET  35  12.008  -2.394  -2.997
  237    HA   MET 845           HA       MET  35  13.357  -4.933  -2.313
  238    HB2  MET 845           HB2      MET  35  12.914  -4.621  -4.711
  239    HB3  MET 845           HB3      MET  35  13.536  -3.011  -4.673
  240    HG2  MET 845           HG2      MET  35  15.618  -3.760  -5.095
  241    HG3  MET 845           HG3      MET  35  15.506  -4.706  -3.628
  242    HE1  MET 845           HE1      MET  35  14.989  -7.262  -3.458
  243    HE2  MET 845           HE2      MET  35  14.426  -8.252  -4.818
  244    HE3  MET 845           HE3      MET  35  13.378  -6.979  -4.157
  245    H    SER 846           H        SER  36  12.905  -2.943  -0.500
  246    HA   SER 846           HA       SER  36  14.825  -0.741  -0.806
  247    HB2  SER 846           HB2      SER  36  13.771   0.127   1.273
  248    HB3  SER 846           HB3      SER  36  12.743  -0.109  -0.156
  249    HG   SER 846           HG       SER  36  11.590  -1.572   0.909
  250    H    LEU 847           H        LEU  37  16.580  -2.166  -0.873
  251    HA   LEU 847           HA       LEU  37  17.576  -3.545   1.355
  252    HB2  LEU 847           HB2      LEU  37  18.868  -2.303  -1.062
  253    HB3  LEU 847           HB3      LEU  37  19.839  -2.906   0.284
  254    HG   LEU 847           HG       LEU  37  18.364  -5.069  -0.075
  255   HD11  LEU 847          HD11      LEU  37  18.263  -5.570  -2.475
  256   HD12  LEU 847          HD12      LEU  37  18.560  -3.836  -2.783
  257   HD13  LEU 847          HD13      LEU  37  17.093  -4.364  -1.906
  258   HD21  LEU 847          HD21      LEU  37  20.834  -4.382  -1.662
  259   HD22  LEU 847          HD22      LEU  37  20.261  -6.023  -1.285
  260   HD23  LEU 847          HD23      LEU  37  20.813  -4.942   0.005
  261    H    ASP 848           H        ASP  38  19.169  -3.137   2.742
  262    HA   ASP 848           HA       ASP  38  20.343  -0.515   3.150
  263    HB2  ASP 848           HB2      ASP  38  18.991  -1.863   5.512
  264    HB3  ASP 848           HB3      ASP  38  19.920  -0.361   5.508
  265    H    PHE 849           H        PHE  39  22.316  -0.743   4.354
  266    HA   PHE 849           HA       PHE  39  23.207  -3.498   4.996
  267    HB2  PHE 849           HB2      PHE  39  24.800  -1.335   3.639
  268    HB3  PHE 849           HB3      PHE  39  25.476  -2.813   4.276
  269    HD1  PHE 849           HD1      PHE  39  25.589  -1.636   1.394
  270    HD2  PHE 849           HD2      PHE  39  23.137  -4.699   3.201
  271    HE1  PHE 849           HE1      PHE  39  25.382  -2.789  -0.796
  272    HE2  PHE 849           HE2      PHE  39  22.816  -5.745   0.976
  273    HZ   PHE 849           HZ       PHE  39  24.008  -4.844  -1.000
  274    H    CYS 850           H        CYS  40  24.808  -3.666   6.635
  275    HA   CYS 850           HA       CYS  40  24.846  -1.370   8.488
  276    HB2  CYS 850           HB2      CYS  40  25.658  -2.920  10.180
  277    HB3  CYS 850           HB3      CYS  40  24.172  -3.525   9.450
  278    H    ASP 851           H        ASP  41  27.010  -0.839   9.545
  279    HA   ASP 851           HA       ASP  41  28.778  -0.117   7.395
  280    HB2  ASP 851           HB2      ASP  41  28.394   1.241   9.339
  281    HB3  ASP 851           HB3      ASP  41  29.174   0.105  10.410
  282    H    SER 852           H        SER  42  28.716  -2.966   9.336
  283    HA   SER 852           HA       SER  42  31.391  -3.970   8.755
  284    HB2  SER 852           HB2      SER  42  28.727  -5.361   9.226
  285    HB3  SER 852           HB3      SER  42  30.238  -6.195   9.186
  286    HG   SER 852           HG       SER  42  30.899  -5.026  11.075
  287    H    CYS 853           H        CYS  43  28.394  -3.663   6.972
  288    HA   CYS 853           HA       CYS  43  29.164  -5.728   5.020
  289    HB2  CYS 853           HB2      CYS  43  26.549  -4.699   6.107
  290    HB3  CYS 853           HB3      CYS  43  26.615  -5.517   4.538
  291    H    SER 854           H        SER  44  28.637  -2.159   5.063
  292    HA   SER 854           HA       SER  44  27.559  -2.033   2.433
  293    HB2  SER 854           HB2      SER  44  28.078   0.409   2.661
  294    HB3  SER 854           HB3      SER  44  27.159  -0.338   3.959
  295    HG   SER 854           HG       SER  44  28.988   0.963   4.724
  296    H    ASP 855           H        ASP  45  30.812  -2.745   3.196
  297    HA   ASP 855           HA       ASP  45  32.041  -1.630   0.828
  298    HB2  ASP 855           HB2      ASP  45  33.225  -2.553   2.871
  299    HB3  ASP 855           HB3      ASP  45  32.745  -4.173   2.357
  300    H    CYS 856           H        CYS  46  29.574  -3.923   1.185
  301    HA   CYS 856           HA       CYS  46  30.165  -5.702  -1.031
  302    HB2  CYS 856           HB2      CYS  46  28.773  -6.408   0.819
  303    HB3  CYS 856           HB3      CYS  46  27.613  -5.094   0.518
  304    HG   CYS 856           HG       CYS  46  28.359  -7.812  -1.232
  305    H    LEU 857           H        LEU  47  29.384  -5.693  -3.037
  306    HA   LEU 857           HA       LEU  47  27.799  -3.424  -4.111
  307    HB2  LEU 857           HB2      LEU  47  30.308  -2.895  -4.149
  308    HB3  LEU 857           HB3      LEU  47  30.458  -4.194  -5.328
  309    HG   LEU 857           HG       LEU  47  28.649  -2.944  -6.683
  310   HD11  LEU 857          HD11      LEU  47  29.407  -0.697  -4.770
  311   HD12  LEU 857          HD12      LEU  47  27.794  -1.417  -4.962
  312   HD13  LEU 857          HD13      LEU  47  28.507  -0.493  -6.283
  313   HD21  LEU 857          HD21      LEU  47  31.055  -2.935  -7.287
  314   HD22  LEU 857          HD22      LEU  47  31.321  -1.544  -6.210
  315   HD23  LEU 857          HD23      LEU  47  30.296  -1.381  -7.651
  316    H    HIS 858           H        HIS  48  26.586  -5.544  -3.720
  317    HA   HIS 858           HA       HIS  48  26.654  -7.669  -5.725
  318    HB2  HIS 858           HB2      HIS  48  25.852  -7.877  -3.328
  319    HB3  HIS 858           HB3      HIS  48  24.525  -6.805  -3.710
  320    HD2  HIS 858           HD2      HIS  48  22.549  -8.445  -3.321
  321    HE1  HIS 858           HE1      HIS  48  23.796 -11.651  -5.855
  322    HE2  HIS 858           HE2      HIS  48  21.928 -10.795  -4.356
  323    H    GLU 859           H        GLU  49  24.854  -8.299  -6.981
  324    HA   GLU 859           HA       GLU  49  23.262  -6.110  -8.077
  325    HB2  GLU 859           HB2      GLU  49  24.746  -8.082  -9.832
  326    HB3  GLU 859           HB3      GLU  49  23.624  -6.832 -10.256
  327    HG2  GLU 859           HG2      GLU  49  25.422  -5.215  -9.082
  328    HG3  GLU 859           HG3      GLU  49  26.488  -6.559  -9.465
  329    H    THR 860           H        THR  50  21.229  -6.631  -8.098
  330    HA   THR 860           HA       THR  50  20.258  -9.450  -8.409
  331    HB   THR 860           HB       THR  50  18.321  -8.923  -7.141
  332    HG1  THR 860           HG1      THR  50  17.913  -6.910  -6.308
  333   HG21  THR 860          HG21      THR  50  20.624  -7.720  -5.561
  334   HG22  THR 860          HG22      THR  50  20.300  -9.458  -5.740
  335   HG23  THR 860          HG23      THR  50  19.127  -8.417  -4.916
  336    H    ASP 861           H        ASP  51  17.538  -8.572  -8.993
  337    HA   ASP 861           HA       ASP  51  17.724  -7.745 -11.761
  338    HB2  ASP 861           HB2      ASP  51  15.380  -7.786  -9.834
  339    HB3  ASP 861           HB3      ASP  51  15.258  -7.514 -11.569
  340    H    ILE 862           H        ILE  52  17.744  -5.947  -8.777
  341    HA   ILE 862           HA       ILE  52  17.256  -3.363 -10.191
  342    HB   ILE 862           HB       ILE  52  16.068  -4.183  -7.513
  343   HG12  ILE 862          HG12      ILE  52  14.868  -4.060 -10.290
  344   HG13  ILE 862          HG13      ILE  52  14.901  -5.421  -9.176
  345   HG21  ILE 862          HG21      ILE  52  14.846  -1.967  -7.876
  346   HG22  ILE 862          HG22      ILE  52  16.032  -1.634  -9.159
  347   HG23  ILE 862          HG23      ILE  52  16.558  -1.860  -7.477
  348   HD11  ILE 862          HD11      ILE  52  13.366  -4.145  -7.632
  349   HD12  ILE 862          HD12      ILE  52  12.674  -4.649  -9.188
  350   HD13  ILE 862          HD13      ILE  52  13.151  -2.960  -8.958
  351    H    HIS 863           H        HIS  53  18.624  -4.887  -7.214
  352    HA   HIS 863           HA       HIS  53  20.157  -2.478  -6.535
  353    HB2  HIS 863           HB2      HIS  53  19.368  -3.998  -4.813
  354    HB3  HIS 863           HB3      HIS  53  20.205  -5.347  -5.533
  355    HD2  HIS 863           HD2      HIS  53  22.751  -5.663  -5.109
  356    HE1  HIS 863           HE1      HIS  53  23.317  -2.414  -2.422
  357    H    LYS 864           H        LYS  54  22.314  -2.104  -7.256
  358    HA   LYS 864           HA       LYS  54  23.563  -3.995  -9.171
  359    HB2  LYS 864           HB2      LYS  54  22.797  -1.128  -9.868
  360    HB3  LYS 864           HB3      LYS  54  23.757  -2.184 -10.890
  361    HG2  LYS 864           HG2      LYS  54  20.879  -2.536 -10.169
  362    HG3  LYS 864           HG3      LYS  54  21.470  -1.891 -11.682
  363    HD2  LYS 864           HD2      LYS  54  22.442  -3.958 -12.373
  364    HD3  LYS 864           HD3      LYS  54  22.184  -4.726 -10.794
  365    HE2  LYS 864           HE2      LYS  54  19.778  -4.554 -11.011
  366    HE3  LYS 864           HE3      LYS  54  19.918  -3.662 -12.516
  367    HZ1  LYS 864           HZ1      LYS  54  19.495  -5.916 -13.116
  368    HZ2  LYS 864           HZ2      LYS  54  20.613  -6.513 -12.081
  369    HZ3  LYS 864           HZ3      LYS  54  21.082  -5.705 -13.444
  370    H    GLU 865           H        GLU  55  25.638  -3.179 -10.016
  371    HA   GLU 865           HA       GLU  55  27.286  -1.950  -8.009
  372    HB2  GLU 865           HB2      GLU  55  27.645  -2.371 -10.987
  373    HB3  GLU 865           HB3      GLU  55  28.913  -1.681  -9.965
  374    HG2  GLU 865           HG2      GLU  55  29.148  -3.727  -8.721
  375    HG3  GLU 865           HG3      GLU  55  27.727  -4.433  -9.478
  376    H    ASP 866           H        ASP  56  25.042  -0.631 -10.325
  377    HA   ASP 866           HA       ASP  56  26.481   1.948 -10.727
  378    HB2  ASP 866           HB2      ASP  56  25.246   0.881 -12.586
  379    HB3  ASP 866           HB3      ASP  56  23.754   0.941 -11.644
  380    H    HIS 867           H        HIS  57  23.564   0.685  -9.162
  381    HA   HIS 867           HA       HIS  57  22.466   2.855  -7.910
  382    HB2  HIS 867           HB2      HIS  57  21.205   0.952  -7.866
  383    HB3  HIS 867           HB3      HIS  57  22.591  -0.126  -7.729
  384    HD2  HIS 867           HD2      HIS  57  23.462  -0.774  -5.429
  385    HE1  HIS 867           HE1      HIS  57  20.759   1.559  -3.098
  386    H    GLN 868           H        GLN  58  22.895   4.004  -6.174
  387    HA   GLN 868           HA       GLN  58  25.541   3.876  -4.931
  388    HB2  GLN 868           HB2      GLN  58  23.346   5.949  -4.904
  389    HB3  GLN 868           HB3      GLN  58  24.918   6.155  -4.126
  390    HG2  GLN 868           HG2      GLN  58  24.392   5.749  -7.110
  391    HG3  GLN 868           HG3      GLN  58  24.809   7.257  -6.312
  392   HE21  GLN 868          HE21      GLN  58  26.129   4.448  -7.893
  393   HE22  GLN 868          HE22      GLN  58  27.794   4.757  -7.408
  394    H    LEU 869           H        LEU  59  26.080   4.015  -2.711
  395    HA   LEU 869           HA       LEU  59  23.956   3.290  -0.753
  396    HB2  LEU 869           HB2      LEU  59  26.973   3.000  -0.518
  397    HB3  LEU 869           HB3      LEU  59  25.755   2.446   0.614
  398    HG   LEU 869           HG       LEU  59  26.632   0.610  -0.494
  399   HD11  LEU 869          HD11      LEU  59  24.240   0.480  -0.004
  400   HD12  LEU 869          HD12      LEU  59  24.624  -0.463  -1.457
  401   HD13  LEU 869          HD13      LEU  59  23.857   1.110  -1.629
  402   HD21  LEU 869          HD21      LEU  59  25.791   1.447  -3.256
  403   HD22  LEU 869          HD22      LEU  59  26.753   0.062  -2.747
  404   HD23  LEU 869          HD23      LEU  59  27.434   1.689  -2.598
  405    H    GLU 870           H        GLU  60  23.831   4.452   1.238
  406    HA   GLU 870           HA       GLU  60  25.387   7.004   1.404
  407    HB2  GLU 870           HB2      GLU  60  23.323   7.517   0.349
  408    HB3  GLU 870           HB3      GLU  60  22.403   6.608   1.541
  409    HG2  GLU 870           HG2      GLU  60  22.038   8.876   1.990
  410    HG3  GLU 870           HG3      GLU  60  23.056   8.274   3.276
  411    HA   PRO 871           HA       PRO  61  25.680   5.613   5.788
  412    HB2  PRO 871           HB2      PRO  61  27.360   7.521   6.656
  413    HB3  PRO 871           HB3      PRO  61  27.908   6.138   5.663
  414    HG2  PRO 871           HG2      PRO  61  27.336   8.988   4.822
  415    HG3  PRO 871           HG3      PRO  61  28.701   7.935   4.332
  416    HD2  PRO 871           HD2      PRO  61  26.407   8.336   2.831
  417    HD3  PRO 871           HD3      PRO  61  27.390   6.853   2.727
  418    H    ILE 872           H        ILE  62  24.439   6.130   7.442
  419    HA   ILE 872           HA       ILE  62  23.181   8.836   7.694
  420    HB   ILE 872           HB       ILE  62  21.973   6.065   7.845
  421   HG12  ILE 872          HG12      ILE  62  21.383   8.473   6.076
  422   HG13  ILE 872          HG13      ILE  62  22.228   6.997   5.600
  423   HG21  ILE 872          HG21      ILE  62  19.853   7.110   8.509
  424   HG22  ILE 872          HG22      ILE  62  20.661   8.699   8.619
  425   HG23  ILE 872          HG23      ILE  62  21.078   7.356   9.718
  426   HD11  ILE 872          HD11      ILE  62  19.293   7.231   6.329
  427   HD12  ILE 872          HD12      ILE  62  20.141   5.683   6.069
  428   HD13  ILE 872          HD13      ILE  62  20.001   6.867   4.751
  429    H    TYR 873           H        TYR  63  23.897   9.761   9.425
  430    HA   TYR 873           HA       TYR  63  24.841   8.195  11.751
  431    HB2  TYR 873           HB2      TYR  63  25.337  11.093  11.071
  432    HB3  TYR 873           HB3      TYR  63  26.039  10.132  12.376
  433    HD1  TYR 873           HD1      TYR  63  26.176   7.707  10.072
  434    HD2  TYR 873           HD2      TYR  63  27.783  11.659  10.644
  435    HE1  TYR 873           HE1      TYR  63  28.170   7.085   8.715
  436    HE2  TYR 873           HE2      TYR  63  29.748  11.069   9.233
  437    HH   TYR 873           HH       TYR  63  30.796   9.426   7.994
  438    H    ARG 874           H        ARG  64  22.027   8.709  11.395
  439    HA   ARG 874           HA       ARG  64  21.594   9.246  14.182
  440    HB2  ARG 874           HB2      ARG  64  19.958  10.990  14.101
  441    HB3  ARG 874           HB3      ARG  64  21.420  11.540  13.307
  442    HG2  ARG 874           HG2      ARG  64  19.824  12.336  11.849
  443    HG3  ARG 874           HG3      ARG  64  20.206  10.794  11.079
  444    HD2  ARG 874           HD2      ARG  64  18.214   9.822  12.404
  445    HD3  ARG 874           HD3      ARG  64  17.837  11.470  12.883
  446    HE   ARG 874           HE       ARG  64  17.093  11.950  10.721
  447   HH11  ARG 874          HH11      ARG  64  18.615   8.754  10.682
  448   HH12  ARG 874          HH12      ARG  64  17.904   8.388   9.123
  449   HH21  ARG 874          HH21      ARG  64  16.271  11.381   8.748
  450   HH22  ARG 874          HH22      ARG  64  16.627   9.827   8.058
  451    H1   ALA   1           H1       ALA  65  17.131  -3.622   5.150
  452    H2   ALA   1           H2       ALA  65  16.543  -2.465   4.134
  453    H3   ALA   1           H3       ALA  65  17.258  -3.838   3.539
  454    HA   ALA   1           HA       ALA  65  14.887  -3.942   3.301
  455    HB1  ALA   1           HB1      ALA  65  15.588  -6.043   3.287
  456    HB2  ALA   1           HB2      ALA  65  14.621  -6.142   4.754
  457    HB3  ALA   1           HB3      ALA  65  16.388  -5.973   4.889
  458    H    ARG   2           H        ARG  66  12.965  -3.079   4.031
  459    HA   ARG   2           HA       ARG  66  12.805  -1.977   6.746
  460    HB2  ARG   2           HB2      ARG  66  10.686  -2.288   4.561
  461    HB3  ARG   2           HB3      ARG  66  10.476  -1.387   6.068
  462    HG2  ARG   2           HG2      ARG  66  12.288   0.166   5.427
  463    HG3  ARG   2           HG3      ARG  66  12.606  -0.762   3.976
  464    HD2  ARG   2           HD2      ARG  66  11.393   1.038   3.211
  465    HD3  ARG   2           HD3      ARG  66  10.199  -0.270   3.259
  466    HE   ARG   2           HE       ARG  66   9.897   0.988   5.724
  467   HH11  ARG   2          HH11      ARG  66   8.505   2.723   6.182
  468   HH12  ARG   2          HH12      ARG  66   8.083   3.815   4.898
  469   HH21  ARG   2          HH21      ARG  66   9.771   2.166   2.425
  470   HH22  ARG   2          HH22      ARG  66   8.738   3.503   2.834
  471    H    THR   3           H        THR  67  12.091  -2.900   8.532
  472    HA   THR   3           HA       THR  67  10.422  -5.396   8.442
  473    HB   THR   3           HB       THR  67  11.563  -6.160  10.454
  474    HG1  THR   3           HG1      THR  67  13.417  -5.083  11.160
  475   HG21  THR   3          HG21      THR  67  12.560  -6.748   8.197
  476   HG22  THR   3          HG22      THR  67  13.718  -6.736   9.545
  477   HG23  THR   3          HG23      THR  67  13.675  -5.369   8.407
  478    H    LYS   4           H        LYS  68  10.761  -2.211   9.765
  479    HA   LYS   4           HA       LYS  68   8.041  -2.430  10.897
  480    HB2  LYS   4           HB2      LYS  68   9.897  -2.786  12.717
  481    HB3  LYS   4           HB3      LYS  68  10.188  -1.051  12.550
  482    HG2  LYS   4           HG2      LYS  68   7.899  -0.561  13.264
  483    HG3  LYS   4           HG3      LYS  68   7.490  -2.289  13.248
  484    HD2  LYS   4           HD2      LYS  68   9.141  -2.711  15.037
  485    HD3  LYS   4           HD3      LYS  68   9.597  -0.992  15.041
  486    HE2  LYS   4           HE2      LYS  68   7.306  -0.362  15.695
  487    HE3  LYS   4           HE3      LYS  68   6.788  -2.051  15.613
  488    HZ1  LYS   4           HZ1      LYS  68   8.345  -2.544  17.438
  489    HZ2  LYS   4           HZ2      LYS  68   7.276  -1.399  17.901
  490    HZ3  LYS   4           HZ3      LYS  68   8.803  -0.975  17.524
  491    H    GLN   5           H        GLN  69   7.215  -0.130  11.402
  492    HA   GLN   5           HA       GLN  69   6.540   1.853  10.535
  493    HB2  GLN   5           HB2      GLN  69   9.491   2.391  10.043
  494    HB3  GLN   5           HB3      GLN  69   8.186   3.580  10.137
  495    HG2  GLN   5           HG2      GLN  69   7.749   2.829  12.509
  496    HG3  GLN   5           HG3      GLN  69   9.180   1.796  12.403
  497   HE21  GLN   5          HE21      GLN  69   9.241   3.560  14.428
  498   HE22  GLN   5          HE22      GLN  69  10.303   4.910  14.041
  499    H    THR   6           H        THR  70   6.070  -0.153   8.824
  500    HA   THR   6           HA       THR  70   6.866   0.437   6.080
  501    HB   THR   6           HB       THR  70   5.031  -1.193   5.518
  502    HG1  THR   6           HG1      THR  70   3.685  -0.974   7.319
  503   HG21  THR   6          HG21      THR  70   6.194  -3.159   6.412
  504   HG22  THR   6          HG22      THR  70   7.060  -2.149   7.586
  505   HG23  THR   6          HG23      THR  70   7.358  -1.951   5.844
  506    H    ALA   7           H        ALA  71   5.450   1.154   4.377
  507    HA   ALA   7           HA       ALA  71   4.059   3.568   5.047
  508    HB1  ALA   7           HB1      ALA  71   4.172   1.996   2.433
  509    HB2  ALA   7           HB2      ALA  71   5.335   3.235   2.961
  510    HB3  ALA   7           HB3      ALA  71   3.659   3.688   2.612
  511    H    ARG   8           H        ARG  72   1.896   4.153   4.812
  512    HA   ARG   8           HA       ARG  72  -0.100   2.131   5.510
  513    HB2  ARG   8           HB2      ARG  72   0.086   4.409   6.556
  514    HB3  ARG   8           HB3      ARG  72  -0.376   5.132   5.029
  515    HG2  ARG   8           HG2      ARG  72  -2.268   5.076   6.543
  516    HG3  ARG   8           HG3      ARG  72  -2.604   4.062   5.157
  517    HD2  ARG   8           HD2      ARG  72  -3.404   2.986   7.191
  518    HD3  ARG   8           HD3      ARG  72  -2.120   2.030   6.483
  519    HE   ARG   8           HE       ARG  72  -0.740   2.458   8.310
  520   HH11  ARG   8          HH11      ARG  72  -0.277   3.061  10.384
  521   HH12  ARG   8          HH12      ARG  72  -1.335   4.145  11.239
  522   HH21  ARG   8          HH21      ARG  72  -3.552   4.537   8.650
  523   HH22  ARG   8          HH22      ARG  72  -3.133   4.973  10.282
  524    H    LYS   9           H        LYS  73   0.311   0.963   3.446
  525    HA   LYS   9           HA       LYS  73  -0.289   1.871   0.879
  526    HB2  LYS   9           HB2      LYS  73  -0.459  -0.438   0.211
  527    HB3  LYS   9           HB3      LYS  73   0.835  -0.249   1.392
  528    HG2  LYS   9           HG2      LYS  73  -0.700  -1.106   3.185
  529    HG3  LYS   9           HG3      LYS  73  -1.948  -1.381   1.966
  530    HD2  LYS   9           HD2      LYS  73   0.799  -2.704   2.019
  531    HD3  LYS   9           HD3      LYS  73  -0.710  -3.433   2.578
  532    HE2  LYS   9           HE2      LYS  73  -1.665  -3.214   0.281
  533    HE3  LYS   9           HE3      LYS  73  -0.126  -2.548  -0.287
  534    HZ1  LYS   9           HZ1      LYS  73  -0.282  -4.937  -0.723
  535    HZ2  LYS   9           HZ2      LYS  73  -0.481  -5.278   0.860
  536    HZ3  LYS   9           HZ3      LYS  73   0.939  -4.659   0.327
  537    H    SER  10           H        SER  74  -2.686   1.027   3.277
  538    HA   SER  10           HA       SER  74  -5.020   0.786   1.731
  539    HB2  SER  10           HB2      SER  74  -4.735   2.210   4.406
  540    HB3  SER  10           HB3      SER  74  -6.192   1.434   3.772
  541    HG   SER  10           HG       SER  74  -5.216  -0.572   3.993
  542    H    THR  11           H        THR  75  -3.094   3.694   2.157
  543    HA   THR  11           HA       THR  75  -5.128   5.647   1.678
  544    HB   THR  11           HB       THR  75  -2.781   6.014   2.547
  545    HG1  THR  11           HG1      THR  75  -4.035   7.772   1.986
  546   HG21  THR  11          HG21      THR  75  -0.975   6.454   1.019
  547   HG22  THR  11          HG22      THR  75  -2.004   6.170  -0.398
  548   HG23  THR  11          HG23      THR  75  -1.557   4.825   0.669
  549    H    GLY  12           H        GLY  76  -3.588   3.423  -0.536
  550    HA2  GLY  12           HA2      GLY  76  -4.014   2.923  -2.751
  551    HA3  GLY  12           HA3      GLY  76  -5.349   4.070  -2.730