*HEADER    ANTIFUNGAL PROTEIN                      23-DEC-08   2KCN              
*TITLE     SOLUTION STRUCTURE OF THE ANTIFUNGAL PROTEIN PAF FROM                 
*TITLE    2 PENICILLIUM CHRYSOGENUM                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIFUNGAL PROTEIN;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 38-92;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PENICILLIUM CHRYSOGENUM;                        
*SOURCE   3 ORGANISM_COMMON: PENICILLIUM NOTATUM;                                
*SOURCE   4 ORGANISM_TAXID: 5076;                                                
*SOURCE   5 GENE: PAF                                                            
*KEYWDS    ANTIFUNGAL PROTEIN PAF                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.BATTA, T.BARNA, Z.GASPARI, S.SANDOR, K.E.KOVER, U.BINDER,           
*AUTHOR   2 B.SARG, L.KAISERER, A.K.CHHILLAR, A.EIGENTLER, E.LEITER,             
*AUTHOR   3 N.HEGEDUS, I.POCSI, H.LINDNER, F.MARX                                
*REVDAT   1   21-JUL-09 2KCN    0                                                


# Distance constraint file from ATNOS/CANDID
# ATNOS/CANDID version 1.1  
# File format   : cyana
# File generated: 2008 May 26th, 15:58:40

 37 THR  H      41 ASN  HD21    3.94 #SUP  5.81
 37 THR  H      38 LYS  H       3.08 #SUP  6.13
 37 THR  H      41 ASN  HD22    4.49 #SUP  6.48
 37 THR  H      37 THR  QG2     3.79 #SUP  4.86
  7 CYS  H      40 ASN  H       4.41 #SUP  6.69
  7 CYS  H       8 THR  H       4.84 #SUP  4.88
  7 CYS  H      41 ASN  H       4.05 #SUP  7.11
  7 CYS  H      41 ASN  HB2     5.50 #SUP  3.56
 14 CYS  H      15 LYS  H       4.78 #SUP  6.36
 14 CYS  H      25 PHE  QD      5.50 #SUP  9.66
 14 CYS  H      26 ILE  H       3.55 #SUP 10.00
 14 CYS  H      28 CYS  H       4.07 #SUP  2.96
 13 GLU  HB3    14 CYS  H       4.43 #SUP  5.79
  6 LYS  HB2    40 ASN  H       5.45 #SUP  6.21
  9 LYS  H      40 ASN  H       4.49 #SUP  6.03
 40 ASN  H      41 ASN  H       3.07 #SUP  5.89
 39 ASP  HB3    40 ASN  H       4.34 #SUP  4.98
  6 LYS  HB3    40 ASN  H       5.16 #SUP  4.97
 38 LYS  H      40 ASN  H       5.50 #SUP  5.02
 10 SER  H      10 SER  HB3     4.13 #SUP  4.40
 26 ILE  H      27 LYS  H       4.72 #SUP  2.76
 25 PHE  QD     26 ILE  H       4.61 #SUP  4.93
 47 THR  H      47 THR  QG2     3.32 #SUP  4.90
  3 TYR  QD     47 THR  H       5.01 #SUP  4.52
  3 TYR  QE     47 THR  H       4.92 #SUP  4.55
 16 TYR  H      16 TYR  QD      3.50 #SUP  7.22
 16 TYR  H      17 LYS  H       5.06 #SUP  5.20
 43 CYS  HA     44 THR  H       2.86 #SUP  4.69
 44 THR  H      44 THR  HB      3.87 #SUP  6.32
 44 THR  H      53 ASP  HB2     4.98 #SUP  3.08
 44 THR  H      44 THR  QG2     4.26 #SUP  5.81
 44 THR  H      45 VAL  QG2     5.25 #SUP  5.47
 44 THR  H      53 ASP  H       3.81 #SUP  2.49
  3 TYR  H       3 TYR  QD      3.63 #SUP  7.21
  2 LYS  HB3     3 TYR  H       5.30 #SUP  5.69
  3 TYR  H      45 VAL  HB      4.05 #SUP  6.19
  9 LYS  H      10 SER  H       3.97 #SUP  4.98
  9 LYS  H      38 LYS  H       5.46 #SUP  5.14
  9 LYS  H      38 LYS  HA      5.50 #SUP  2.91
  9 LYS  H      36 CYS  HB3     5.50 #SUP  0.75
  9 LYS  H      39 ASP  HB2     5.32 #SUP  4.71
  9 LYS  H      39 ASP  HB3     5.45 #SUP  2.72
  3 TYR  QD      4 THR  H       4.40 #SUP  5.14
  4 THR  H       4 THR  QG2     4.53 #SUP  2.01
 39 ASP  H      40 ASN  H       4.39 #SUP  6.20
 47 THR  H      48 TYR  H       3.54 #SUP  7.80
 48 TYR  H      48 TYR  QD      4.78 #SUP  5.84
 18 ASN  H      24 THR  H       4.79 #SUP  3.27
 31 PHE  QD     32 ASP  H       4.73 #SUP  3.80
 24 THR  H      24 THR  HB      3.43 #SUP  4.75
 24 THR  H      24 THR  QG2     4.38 #SUP  5.10
 31 PHE  HB2    32 ASP  H       4.52 #SUP  4.21
  8 THR  H       8 THR  QG2     4.30 #SUP  4.69
 15 LYS  H      25 PHE  QD      5.50 #SUP  6.21
  5 GLY  QA     15 LYS  H       5.50 #SUP  4.05
 14 CYS  HB2    15 LYS  H       4.65 #SUP  5.64
 14 CYS  HB3    15 LYS  H       5.17 #SUP  4.93
  8 THR  H      13 GLU  HG3     5.50 #SUP  3.97
 15 LYS  H      25 PHE  HA      5.26 #SUP  4.99
  6 LYS  H      15 LYS  H       3.76 #SUP  2.00
 12 ASN  HB2    36 CYS  H       4.88 #SUP  1.50
 36 CYS  H      36 CYS  HB3     3.61 #SUP  3.62
 36 CYS  H      37 THR  H       5.50 #SUP  4.10
 52 VAL  QG1    53 ASP  H       3.70 #SUP  4.65
 52 VAL  QG2    53 ASP  H       4.36 #SUP  4.20
  3 TYR  QD     45 VAL  H       4.82 #SUP  5.93
 44 THR  HB     45 VAL  H       3.39 #SUP  4.91
 44 THR  QG2    45 VAL  H       4.08 #SUP  3.56
 45 VAL  H      45 VAL  QG2     3.76 #SUP  5.06
 46 ASP  H      47 THR  H       4.93 #SUP  5.84
  3 TYR  H      45 VAL  H       3.54 #SUP  4.86
 46 ASP  H      51 ALA  QB      4.19 #SUP  5.12
 46 ASP  H      51 ALA  H       3.70 #SUP  8.19
 52 VAL  QG1    54 CYS  H       5.34 #SUP  1.49
 43 CYS  HA     54 CYS  H       5.14 #SUP  2.12
 54 CYS  H      54 CYS  HB3     3.96 #SUP  4.06
 32 ASP  HB3    33 ASN  H       4.47 #SUP  3.90
  7 CYS  H      42 LYS  H       5.50 #SUP  6.51
 41 ASN  H      42 LYS  H       4.56 #SUP  5.74
 41 ASN  HD21   42 LYS  H       5.27 #SUP  5.02
 33 ASN  H      33 ASN  HB3     3.53 #SUP  4.74
 42 LYS  H      55 ASP  HB2     4.56 #SUP  4.90
 42 LYS  H      42 LYS  QB      3.08 #SUP  7.97
  6 LYS  HB3    42 LYS  H       5.39 #SUP  4.00
 12 ASN  HD21   28 CYS  H       5.18 #SUP  3.30
 12 ASN  HD22   28 CYS  H       5.05 #SUP  4.63
  6 LYS  H       7 CYS  H       4.97 #SUP  6.36
  5 GLY  H       6 LYS  H       4.66 #SUP  2.48
 17 LYS  H      18 ASN  H       5.07 #SUP  4.60
  3 TYR  QD     17 LYS  H       5.37 #SUP  5.42
 16 TYR  QD     17 LYS  H       3.85 #SUP  8.11
 26 ILE  QG2    27 LYS  H       4.95 #SUP  3.44
 25 PHE  H      26 ILE  H       4.46 #SUP  5.03
 24 THR  H      25 PHE  H       5.08 #SUP  4.58
 24 THR  QG2    25 PHE  H       3.41 #SUP  6.31
 25 PHE  H      25 PHE  QD      3.22 #SUP  7.42
 24 THR  HA     25 PHE  H       2.77 #SUP  5.88
 25 PHE  H      25 PHE  QB      3.14 #SUP  6.61
 51 ALA  H      52 VAL  H       4.75 #SUP  4.28
 51 ALA  QB     52 VAL  H       3.76 #SUP  4.18
 52 VAL  H      52 VAL  QG2     3.65 #SUP  5.73
 18 ASN  HB3    19 ASP  H       4.22 #SUP  5.23
  2 LYS  H       3 TYR  H       5.05 #SUP  5.80
 20 ALA  H      21 GLY  H       3.00 #SUP  4.97
 20 ALA  QB     21 GLY  H       4.20 #SUP  4.97
 30 LYS  H      31 PHE  QD      4.96 #SUP  7.08
 30 LYS  H      31 PHE  H       3.10 #SUP  9.78
 29 PRO  QB     30 LYS  H       3.92 #SUP  7.72
 30 LYS  H      31 PHE  HB2     5.50 #SUP  5.77
 48 TYR  H      50 ASN  H       4.06 #SUP  2.75
 49 ASN  H      50 ASN  H       2.97 #SUP  6.43
 47 THR  H      50 ASN  H       5.31 #SUP  2.25
 50 ASN  H      50 ASN  HD21    5.50 #SUP  4.20
 49 ASN  HB3    50 ASN  H       5.00 #SUP  6.44
 45 VAL  QG2    51 ALA  H       5.50 #SUP  6.66
 45 VAL  QG1    51 ALA  H       5.28 #SUP  8.60
 16 TYR  QD     18 ASN  H       5.10 #SUP  6.26
 18 ASN  H      22 LYS  H       3.30 #SUP  0.86
 38 LYS  H      41 ASN  H       5.38 #SUP  4.69
 41 ASN  H      41 ASN  HD22    5.50 #SUP  5.37
 18 ASN  H      24 THR  HB      5.15 #SUP  4.95
  6 LYS  HB2    41 ASN  H       5.22 #SUP  6.21
 40 ASN  HB3    41 ASN  H       5.14 #SUP  5.52
 22 LYS  H      23 ASP  H       4.68 #SUP  4.42
 19 ASP  H      22 LYS  H       5.26 #SUP  1.51
 32 ASP  H      34 LYS  H       5.50 #SUP  1.83
 33 ASN  H      34 LYS  H       3.24 #SUP  4.65
 21 GLY  H      22 LYS  H       3.22 #SUP  6.64
 20 ALA  H      22 LYS  H       3.90 #SUP  5.18
 34 LYS  H      35 LYS  H       2.73 #SUP  3.25
 22 LYS  H      22 LYS  HB2     3.63 #SUP  6.34
 55 ASP  H      55 ASP  HB3     3.48 #SUP  2.90
 49 ASN  HB2    49 ASN  HD21    3.78 #SUP  3.98
  8 THR  H      12 ASN  H       5.50 #SUP  2.74
 11 LYS  H      12 ASN  H       3.98 #SUP  2.12
 37 THR  HA     41 ASN  HD21    5.50 #SUP  4.15
 12 ASN  H      13 GLU  HB3     4.69 #SUP  3.52
 12 ASN  H      12 ASN  HD21    5.06 #SUP  3.94
 36 CYS  HB3    41 ASN  HD21    5.37 #SUP  1.39
  5 GLY  QA     43 CYS  H       5.47 #SUP  1.85
  6 LYS  HB3    43 CYS  H       5.24 #SUP  7.37
  7 CYS  H      43 CYS  H       5.10 #SUP  5.64
  5 GLY  H      43 CYS  H       3.82 #SUP  4.70
 43 CYS  H      44 THR  H       5.23 #SUP  5.78
 43 CYS  H      44 THR  HA      5.28 #SUP  4.47
 42 LYS  H      43 CYS  H       4.16 #SUP  4.98
 39 ASP  HB2    40 ASN  HD21    5.50 #SUP  4.45
 43 CYS  H      55 ASP  HB3     4.94 #SUP  2.25
 40 ASN  HB3    40 ASN  HD21    3.75 #SUP  4.65
 33 ASN  HB2    33 ASN  HD21    4.09 #SUP  3.65
 47 THR  H      49 ASN  H       5.18 #SUP  6.62
 48 TYR  H      49 ASN  H       3.09 #SUP  8.49
 47 THR  HA     49 ASN  H       4.44 #SUP  4.71
 31 PHE  QE     31 PHE  HZ      2.40 #SUP  1.88
 20 ALA  H      21 GLY  HA2     4.61 #SUP  4.74
 30 LYS  H      31 PHE  QE      5.50 #SUP  6.35
 18 ASN  HD21   19 ASP  H       4.94 #SUP  5.24
 18 ASN  HD21   24 THR  QG2     4.91 #SUP  6.20
 18 ASN  HA     18 ASN  HD21    4.77 #SUP  4.81
 18 ASN  HD21   24 THR  HB      5.50 #SUP  4.27
 18 ASN  H      18 ASN  HD21    5.50 #SUP  5.41
 18 ASN  HD21   24 THR  HA      5.50 #SUP  1.50
 38 LYS  H      39 ASP  H       4.51 #SUP  3.16
 38 LYS  H      41 ASN  HB2     4.65 #SUP  5.08
  9 LYS  HE2    38 LYS  H       5.36 #SUP  1.94
 36 CYS  HB3    38 LYS  H       5.12 #SUP  3.57
 12 ASN  H      13 GLU  H       3.84 #SUP  5.55
 29 PRO  QB     31 PHE  QD      4.49 #SUP  3.97
 13 GLU  H      14 CYS  H       4.99 #SUP  6.83
  8 THR  H      13 GLU  H       3.49 #SUP  6.16
 13 GLU  H      28 CYS  H       5.08 #SUP  3.88
  7 CYS  HA     13 GLU  H       5.20 #SUP  1.59
 13 GLU  H      27 LYS  HA      5.37 #SUP  4.75
  8 THR  QG2    13 GLU  H       5.28 #SUP  4.09
 13 GLU  HG2    25 PHE  QE      5.50 #SUP  1.74
 23 ASP  H      25 PHE  QE      5.50 #SUP  1.84
 15 LYS  H      25 PHE  QE      5.50 #SUP  4.97
 25 PHE  H      25 PHE  QE      5.43 #SUP  5.53
 10 SER  H      11 LYS  H       4.62 #SUP  4.11
 48 TYR  QD     49 ASN  H       4.97 #SUP  7.84
  8 THR  HB     11 LYS  H       5.38 #SUP  2.17
 10 SER  HB2    11 LYS  H       4.92 #SUP  3.60
 16 TYR  H      25 PHE  QD      5.50 #SUP  5.20
 13 GLU  HB3    25 PHE  QD      5.02 #SUP  4.75
 39 ASP  HB2    40 ASN  HD22    5.25 #SUP  3.08
 12 ASN  HD21   36 CYS  H       5.17 #SUP  2.95
  6 LYS  HB2    40 ASN  HD22    4.83 #SUP  2.31
 35 LYS  H      36 CYS  H       4.97 #SUP  2.51
 33 ASN  H      35 LYS  H       4.50 #SUP  2.21
  3 TYR  QD     45 VAL  QG2     5.50 #SUP  5.45
  2 LYS  H       3 TYR  QE      5.43 #SUP  4.92
  3 TYR  H       3 TYR  QE      5.50 #SUP  6.29
  3 TYR  QE     19 ASP  H       4.36 #SUP  2.07
  1 ALA  QB      3 TYR  QE      3.90 #SUP  2.00
 50 ASN  HA     50 ASN  HD22    5.50 #SUP  3.19
 31 PHE  H      32 ASP  H       4.93 #SUP  4.67
 31 PHE  H      31 PHE  QE      5.34 #SUP  6.87
 31 PHE  H      31 PHE  QD      3.86 #SUP  7.03
 29 PRO  QB     31 PHE  H       4.73 #SUP  5.65
 30 LYS  QG     31 PHE  H       4.87 #SUP  7.30
 31 PHE  H      34 LYS  H       5.50 #SUP  3.37
 31 PHE  H      33 ASN  H       5.50 #SUP  3.76
 41 ASN  HD22   42 LYS  H       5.50 #SUP  5.39
 38 LYS  H      41 ASN  HD22    4.15 #SUP  8.11
 37 THR  HA     41 ASN  HD22    4.94 #SUP  4.69
 41 ASN  HD22   55 ASP  HB2     5.11 #SUP  3.73
 41 ASN  HD22   55 ASP  HB3     5.50 #SUP  4.25
  7 CYS  HA      8 THR  H       2.81 #SUP  5.70
  6 LYS  HA      7 CYS  HA      4.93 #SUP  5.12
 16 TYR  QD     18 ASN  HB3     4.84 #SUP  3.93
  3 TYR  QD     16 TYR  QD      3.94 #SUP  7.35
  3 TYR  QE     16 TYR  QD      4.91 #SUP  4.51
 16 TYR  QD     18 ASN  HA      3.81 #SUP  4.41
 16 TYR  QD     26 ILE  QG2     4.27 #SUP  2.96
 16 TYR  QD     24 THR  QG2     4.77 #SUP  3.24
 16 TYR  QD     26 ILE  H       5.12 #SUP  2.96
 16 TYR  QD     45 VAL  QG1     5.22 #SUP  4.00
 12 ASN  HD22   36 CYS  H       4.55 #SUP  3.29
 12 ASN  HD22   30 LYS  H       5.50 #SUP  2.61
 12 ASN  HD22   28 CYS  HB2     3.96 #SUP  1.74
 16 TYR  H      16 TYR  QE      5.32 #SUP  4.83
 16 TYR  QE     18 ASN  HB2     5.05 #SUP  3.75
 16 TYR  QE     26 ILE  H       5.04 #SUP  2.96
 16 TYR  QE     19 ASP  H       5.50 #SUP  3.24
 16 TYR  QE     18 ASN  H       5.50 #SUP  6.64
 16 TYR  QE     18 ASN  HD21    5.50 #SUP  3.75
  3 TYR  QD     16 TYR  QE      4.12 #SUP  5.86
  3 TYR  QE     16 TYR  QE      4.36 #SUP  3.46
 16 TYR  QE     18 ASN  HA      3.60 #SUP  5.92
 16 TYR  QE     18 ASN  HB3     4.48 #SUP  5.62
 16 TYR  QE     24 THR  QG2     3.81 #SUP  3.24
 16 TYR  QE     45 VAL  QG1     4.45 #SUP  2.86
 16 TYR  QE     45 VAL  QG2     4.37 #SUP  4.23
 24 THR  QG2    25 PHE  HA      5.10 #SUP  4.77
 14 CYS  H      25 PHE  HA      4.91 #SUP  6.27
 25 PHE  HA     26 ILE  H       2.76 #SUP  5.22
 25 PHE  HA     25 PHE  QE      4.86 #SUP  4.64
 25 PHE  HA     25 PHE  QD      3.67 #SUP  6.20
 16 TYR  QD     25 PHE  HA      4.92 #SUP  4.22
  6 LYS  HA      7 CYS  H       2.87 #SUP  7.97
  6 LYS  HA     41 ASN  H       5.27 #SUP  3.62
  6 LYS  HA      7 CYS  HB3     4.70 #SUP  5.00
 43 CYS  HA     55 ASP  H       3.97 #SUP  4.37
  3 TYR  H      46 ASP  HA      4.18 #SUP  4.47
  3 TYR  QD     46 ASP  HA      5.50 #SUP  7.57
  2 LYS  HA     46 ASP  HA      3.38 #SUP  9.57
 46 ASP  HA     47 THR  HA      4.91 #SUP  7.11
 46 ASP  HA     47 THR  H       2.70 #SUP  7.88
 46 ASP  HA     48 TYR  H       4.34 #SUP  5.69
 46 ASP  HA     51 ALA  H       5.50 #SUP  5.89
  1 ALA  QB     46 ASP  HA      5.50 #SUP  1.30
  5 GLY  H      44 THR  HA      3.80 #SUP  2.72
  2 LYS  HA     47 THR  H       3.76 #SUP  5.77
  2 LYS  HA      3 TYR  H       2.72 #SUP  8.46
  4 THR  H      44 THR  HA      5.34 #SUP  1.80
 44 THR  HA     45 VAL  H       2.73 #SUP  4.89
  2 LYS  HA      3 TYR  QD      4.34 #SUP  7.78
 44 THR  HA     53 ASP  HB3     4.90 #SUP  2.25
  1 ALA  QB      2 LYS  HA      4.85 #SUP  4.71
 44 THR  HA     44 THR  QG2     3.40 #SUP  5.65
  2 LYS  HA     45 VAL  QG1     5.50 #SUP  6.96
  2 LYS  HA      3 TYR  QE      5.24 #SUP  7.55
 15 LYS  HA     16 TYR  H       2.74 #SUP  4.81
 15 LYS  HA     24 THR  H       4.90 #SUP  0.91
 15 LYS  HA     25 PHE  QE      4.89 #SUP  5.30
 15 LYS  HA     25 PHE  QD      4.29 #SUP  6.55
 15 LYS  HA     25 PHE  HA      3.42 #SUP  4.72
 16 TYR  HA     16 TYR  QD      3.81 #SUP  5.24
 16 TYR  HA     17 LYS  H       2.85 #SUP  4.87
  5 GLY  QA     16 TYR  HA      3.73 #SUP  2.97
 13 GLU  HA     27 LYS  H       5.33 #SUP  1.75
 13 GLU  HA     14 CYS  HB2     5.09 #SUP  3.82
 13 GLU  HA     14 CYS  H       2.79 #SUP  7.25
 13 GLU  HA     28 CYS  H       2.94 #SUP  4.24
 13 GLU  HA     27 LYS  HA      3.06 #SUP  6.92
 45 VAL  QG2    52 VAL  HA      4.48 #SUP  5.24
 52 VAL  HA     53 ASP  H       2.66 #SUP  4.19
 52 VAL  HA     52 VAL  QG1     3.42 #SUP  4.00
 52 VAL  HA     52 VAL  QG2     3.43 #SUP  4.63
 13 GLU  HA     26 ILE  QG2     5.42 #SUP  4.38
 45 VAL  QG1    52 VAL  HA      4.98 #SUP  4.71
 53 ASP  HA     54 CYS  H       2.67 #SUP  4.07
 53 ASP  HA     54 CYS  HB3     5.50 #SUP  2.95
  3 TYR  HA      4 THR  H       2.85 #SUP  4.07
  3 TYR  HA      3 TYR  QD      3.40 #SUP  5.17
 13 GLU  H      14 CYS  HA      5.50 #SUP  3.36
  8 THR  HA     40 ASN  H       3.57 #SUP  3.02
  8 THR  HA      9 LYS  H       2.67 #SUP  3.15
  8 THR  HA      8 THR  QG2     3.51 #SUP  3.64
  7 CYS  H      41 ASN  HA      5.37 #SUP  3.30
 36 CYS  HA     37 THR  H       2.92 #SUP  5.18
 36 CYS  HA     38 LYS  H       4.52 #SUP  3.57
 44 THR  H      54 CYS  HA      4.65 #SUP  3.17
 54 CYS  HA     55 ASP  H       2.93 #SUP  2.85
 43 CYS  HA     54 CYS  HA      3.05 #SUP  5.84
 25 PHE  QB     26 ILE  HA      4.72 #SUP  3.25
 26 ILE  HA     27 LYS  H       2.65 #SUP  2.70
 26 ILE  HA     26 ILE  QG2     4.03 #SUP  4.12
 41 ASN  HB3    55 ASP  HA      5.05 #SUP  1.14
  9 LYS  H      39 ASP  HA      3.31 #SUP  5.24
  8 THR  HB     39 ASP  HA      5.28 #SUP  2.24
 28 CYS  HA     29 PRO  QD      3.61 #SUP  3.33
  9 LYS  QG     39 ASP  HA      2.92 #SUP  5.42
 39 ASP  HA     40 ASN  H       2.66 #SUP  5.18
 39 ASP  HA     40 ASN  HA      4.46 #SUP  3.37
 12 ASN  HA     36 CYS  HB2     4.25 #SUP  0.75
 28 CYS  HA     52 VAL  HB      4.13 #SUP  2.96
 28 CYS  HA     52 VAL  QG1     3.36 #SUP  6.33
 28 CYS  HA     52 VAL  QG2     4.75 #SUP  2.96
 12 ASN  HA     13 GLU  H       3.14 #SUP  4.19
 12 ASN  HA     36 CYS  HB3     4.09 #SUP  1.49
 33 ASN  HA     33 ASN  HD22    5.14 #SUP  3.08
 12 ASN  HD21   35 LYS  HA      4.49 #SUP  2.00
 12 ASN  HD22   35 LYS  HA      3.97 #SUP  2.96
 30 LYS  HA     31 PHE  HA      4.48 #SUP  4.28
 35 LYS  HA     36 CYS  H       2.88 #SUP  2.00
 30 LYS  H      31 PHE  HA      5.50 #SUP  5.61
 30 LYS  QB     35 LYS  HA      5.09 #SUP  2.26
 31 PHE  HA     32 ASP  H       2.91 #SUP  3.46
 31 PHE  HA     31 PHE  QE      5.50 #SUP  4.63
 48 TYR  QD     49 ASN  HA      4.78 #SUP  5.62
 48 TYR  QE     49 ASN  HA      5.50 #SUP  4.16
 49 ASN  HA     49 ASN  HD21    5.50 #SUP  3.81
 45 VAL  HA     46 ASP  HA      5.49 #SUP  4.75
 44 THR  HA     45 VAL  HA      4.98 #SUP  4.36
 45 VAL  HA     46 ASP  HB2     5.50 #SUP  4.64
 45 VAL  HA     45 VAL  QG1     3.54 #SUP  5.91
 45 VAL  HA     46 ASP  H       2.79 #SUP  4.68
 45 VAL  HA     52 VAL  HA      4.82 #SUP  4.96
 44 THR  HB     45 VAL  HA      5.44 #SUP  4.62
 45 VAL  HA     52 VAL  QG1     4.56 #SUP  4.36
 45 VAL  HA     52 VAL  QG2     3.78 #SUP  7.07
 45 VAL  HA     45 VAL  QG2     3.57 #SUP  6.44
 51 ALA  HA     52 VAL  H       2.64 #SUP  4.74
 51 ALA  HA     52 VAL  HB      4.83 #SUP  4.08
 17 LYS  HA     18 ASN  H       2.66 #SUP  5.85
 16 TYR  QD     17 LYS  HA      5.47 #SUP  6.83
 17 LYS  HA     24 THR  HB      5.36 #SUP  2.70
 20 ALA  HA     22 LYS  H       4.48 #SUP  4.33
 17 LYS  HA     18 ASN  HA      4.71 #SUP  4.43
 48 TYR  HA     48 TYR  QD      3.48 #SUP  6.20
 48 TYR  HA     48 TYR  QE      4.52 #SUP  3.97
  7 CYS  H      42 LYS  HA      4.60 #SUP  6.05
  5 GLY  H      42 LYS  HA      5.31 #SUP  2.12
 42 LYS  HA     43 CYS  H       2.62 #SUP  4.98
  6 LYS  HA     42 LYS  HA      3.40 #SUP  5.93
 29 PRO  HA     30 LYS  H       2.72 #SUP  8.01
 29 PRO  HA     31 PHE  QD      5.50 #SUP  3.75
 29 PRO  HA     31 PHE  H       4.23 #SUP  6.03
 12 ASN  HD22   29 PRO  HA      5.50 #SUP  2.48
 29 PRO  HA     30 LYS  HA      4.88 #SUP  5.46
  6 LYS  HB3    42 LYS  HA      3.93 #SUP  5.37
 29 PRO  HA     30 LYS  QG      5.29 #SUP  5.49
 22 LYS  HA     23 ASP  H       2.57 #SUP  3.89
 23 ASP  HA     24 THR  H       2.79 #SUP  3.20
 23 ASP  HA     25 PHE  QE      5.10 #SUP  3.25
 23 ASP  HA     24 THR  HB      4.75 #SUP  2.64
 40 ASN  HA     40 ASN  HD21    5.07 #SUP  4.41
  7 CYS  H      40 ASN  HA      4.28 #SUP  6.21
 40 ASN  H      40 ASN  HA      2.73 #SUP  6.03
 40 ASN  HA     41 ASN  H       3.32 #SUP  4.99
  6 LYS  HA     40 ASN  HA      4.67 #SUP  3.87
  6 LYS  HB2    40 ASN  HA      3.60 #SUP  7.29
  6 LYS  HB3    40 ASN  HA      3.44 #SUP  6.34
 37 THR  HA     38 LYS  H       3.55 #SUP  3.30
 37 THR  HA     37 THR  QG2     2.79 #SUP  2.96
 50 ASN  H      50 ASN  HA      2.62 #SUP  4.52
 14 CYS  H      27 LYS  HA      3.81 #SUP  6.40
 46 ASP  H      50 ASN  HA      5.25 #SUP  3.71
 27 LYS  HA     28 CYS  H       2.63 #SUP  1.40
 49 ASN  H      50 ASN  HA      4.10 #SUP  4.26
 13 GLU  HG2    27 LYS  HA      4.97 #SUP  3.80
 45 VAL  QG1    50 ASN  HA      4.30 #SUP  4.48
  3 TYR  QE     47 THR  HA      5.50 #SUP  1.92
 47 THR  HA     48 TYR  HA      4.97 #SUP  4.99
 26 ILE  QG2    27 LYS  HA      5.50 #SUP  2.12
 47 THR  HA     47 THR  QG2     3.30 #SUP  4.23
 32 ASP  HA     33 ASN  HA      4.45 #SUP  4.34
 37 THR  H      38 LYS  HA      5.50 #SUP  2.09
 32 ASP  HA     33 ASN  H       3.22 #SUP  5.63
 32 ASP  HA     34 LYS  H       4.66 #SUP  4.27
 32 ASP  HA     35 LYS  H       4.77 #SUP  2.00
 38 LYS  HA     39 ASP  H       2.56 #SUP  2.07
 38 LYS  HA     41 ASN  HD22    5.50 #SUP  2.19
  8 THR  H       8 THR  HB      3.75 #SUP  4.34
  7 CYS  HA      8 THR  HB      5.50 #SUP  4.06
  8 THR  HB     40 ASN  H       5.50 #SUP  3.97
  8 THR  HB     10 SER  H       4.80 #SUP  3.48
 18 ASN  HA     19 ASP  H       3.32 #SUP  5.64
  3 TYR  QD     18 ASN  HA      4.24 #SUP  2.56
  3 TYR  QE     18 ASN  HA      3.85 #SUP  3.35
 24 THR  HA     25 PHE  QE      4.46 #SUP  5.17
 24 THR  HA     25 PHE  QD      3.69 #SUP  5.34
 24 THR  HA     24 THR  QG2     3.36 #SUP  5.21
 10 SER  HA     10 SER  HB3     2.71 #SUP  3.44
  5 GLY  QA      6 LYS  HA      5.04 #SUP  3.26
  5 GLY  QA     16 TYR  HB2     4.16 #SUP  3.11
  5 GLY  QA      6 LYS  H       3.02 #SUP  3.03
  5 GLY  QA     16 TYR  QD      5.18 #SUP  4.40
  1 ALA  HA      2 LYS  HA      5.50 #SUP  4.23
 10 SER  HA     10 SER  HB2     2.55 #SUP  3.44
 10 SER  H      10 SER  HB2     3.72 #SUP  4.40
  1 ALA  HA      2 LYS  H       3.48 #SUP  3.19
 10 SER  HB3    11 LYS  H       4.93 #SUP  3.60
 28 CYS  HB2    29 PRO  QD      3.94 #SUP  5.28
 28 CYS  H      29 PRO  QD      5.18 #SUP  4.64
 29 PRO  QD     30 LYS  H       5.50 #SUP  5.29
  7 CYS  H      43 CYS  HB2     5.50 #SUP  4.61
 43 CYS  HB2    44 THR  H       4.12 #SUP  4.86
 29 PRO  QD     53 ASP  H       5.50 #SUP  2.07
 29 PRO  QD     52 VAL  H       5.23 #SUP  4.13
  7 CYS  HA     43 CYS  HB2     5.11 #SUP  1.53
 29 PRO  QD     52 VAL  HB      3.64 #SUP  4.13
 29 PRO  QD     52 VAL  QG1     3.77 #SUP  9.24
 29 PRO  QD     52 VAL  QG2     4.72 #SUP  4.75
 43 CYS  HB2    45 VAL  QG2     5.50 #SUP  2.68
  9 LYS  HA     38 LYS  H       5.50 #SUP  2.43
  9 LYS  HA     36 CYS  HB3     3.75 #SUP  0.75
 54 CYS  H      54 CYS  HB2     3.50 #SUP  2.20
 20 ALA  H      21 GLY  HA3     4.83 #SUP  4.35
 30 LYS  QD     54 CYS  HB2     4.25 #SUP  0.90
 20 ALA  QB     21 GLY  HA3     5.50 #SUP  4.39
 28 CYS  HB2    54 CYS  HB2     4.76 #SUP  0.75
 31 PHE  H      31 PHE  HB2     3.86 #SUP  7.42
 54 CYS  HB3    55 ASP  H       3.66 #SUP  3.31
 43 CYS  HA     54 CYS  HB3     5.33 #SUP  2.54
  7 CYS  HB2     8 THR  H       3.33 #SUP  4.47
 18 ASN  HB2    19 ASP  H       3.08 #SUP  4.77
  7 CYS  HB2    36 CYS  HB2     3.95 #SUP  2.19
 18 ASN  HB2    24 THR  HB      5.50 #SUP  3.21
 18 ASN  HB2    18 ASN  HD21    3.72 #SUP  5.10
 18 ASN  HB2    24 THR  QG2     5.33 #SUP  5.02
 37 THR  H      41 ASN  HB2     5.44 #SUP  2.96
 40 ASN  H      41 ASN  HB2     5.01 #SUP  3.73
 41 ASN  HB2    42 LYS  H       3.89 #SUP  6.85
 41 ASN  H      41 ASN  HB2     2.84 #SUP  6.88
 41 ASN  HB2    41 ASN  HD21    3.61 #SUP  4.42
 41 ASN  HB2    41 ASN  HD22    4.02 #SUP  4.84
 46 ASP  HB2    50 ASN  HA      5.46 #SUP  4.87
  2 LYS  HG3    46 ASP  HB2     5.50 #SUP  2.96
 46 ASP  HB2    47 THR  H       4.71 #SUP  6.46
 46 ASP  HB2    48 TYR  H       5.49 #SUP  4.61
 46 ASP  H      46 ASP  HB2     3.46 #SUP  5.58
 46 ASP  HB2    51 ALA  H       3.46 #SUP  7.82
 46 ASP  HB2    49 ASN  H       4.70 #SUP  4.37
  2 LYS  HA     46 ASP  HB2     5.50 #SUP  4.82
 46 ASP  HB2    51 ALA  QB      3.43 #SUP  5.68
 45 VAL  QG1    46 ASP  HB2     5.50 #SUP  5.31
 36 CYS  HB2    37 THR  H       5.33 #SUP  5.18
 36 CYS  H      36 CYS  HB2     3.21 #SUP  3.62
 36 CYS  HB2    38 LYS  H       5.50 #SUP  3.53
 40 ASN  HB2    41 ASN  H       5.04 #SUP  5.46
 12 ASN  H      12 ASN  HB2     4.19 #SUP  5.40
 40 ASN  HB2    40 ASN  HD21    3.32 #SUP  4.52
 12 ASN  HB2    12 ASN  HD21    3.09 #SUP  3.61
 28 CYS  HB2    29 PRO  QB      5.07 #SUP  3.92
 12 ASN  HB2    13 GLU  HB3     5.50 #SUP  3.66
 12 ASN  HB2    12 ASN  HD22    3.54 #SUP  3.02
  6 LYS  HB2    40 ASN  HB2     4.95 #SUP  5.05
 28 CYS  HB2    30 LYS  QB      5.19 #SUP  2.41
 28 CYS  H      28 CYS  HB2     3.69 #SUP  3.74
 28 CYS  HB2    52 VAL  QG1     5.15 #SUP  3.47
 48 TYR  H      48 TYR  HB2     3.23 #SUP  4.63
 48 TYR  HB2    49 ASN  H       3.93 #SUP  6.28
  6 LYS  HG2    40 ASN  HB3     5.50 #SUP  2.08
  6 LYS  HB3    40 ASN  HB3     4.82 #SUP  5.38
 33 ASN  H      33 ASN  HB2     4.02 #SUP  5.34
 32 ASP  HB3    33 ASN  HB2     5.50 #SUP  3.54
  6 LYS  HB3     6 LYS  HE2     5.20 #SUP  4.21
 36 CYS  HB3    37 THR  H       5.43 #SUP  5.18
 50 ASN  HB2    52 VAL  QG2     5.26 #SUP  1.57
 41 ASN  HB3    42 LYS  H       3.22 #SUP  7.18
 41 ASN  H      41 ASN  HB3     3.43 #SUP  6.57
 41 ASN  HB3    41 ASN  HD21    3.51 #SUP  4.37
 41 ASN  HB3    41 ASN  HD22    3.94 #SUP  4.78
 43 CYS  HB3    44 THR  H       3.59 #SUP  5.83
 43 CYS  HB3    44 THR  HA      5.50 #SUP  4.91
 48 TYR  H      48 TYR  HB3     3.18 #SUP  4.63
 48 TYR  HB3    49 ASN  H       3.43 #SUP  6.28
 33 ASN  HB3    33 ASN  HD21    3.99 #SUP  3.00
  7 CYS  HB3     8 THR  H       3.71 #SUP  4.40
 46 ASP  HA     48 TYR  HB3     5.50 #SUP  1.72
  7 CYS  H       7 CYS  HB3     4.04 #SUP  6.05
 14 CYS  H      14 CYS  HB2     3.23 #SUP  5.55
 14 CYS  HB2    26 ILE  H       4.17 #SUP  5.16
 14 CYS  HB2    26 ILE  QG2     3.55 #SUP  4.76
 14 CYS  HB2    45 VAL  QG2     4.60 #SUP  0.75
 14 CYS  HB2    52 VAL  QG1     4.43 #SUP  1.50
 28 CYS  H      28 CYS  HB3     3.18 #SUP  2.74
 12 ASN  HD21   28 CYS  HB3     4.12 #SUP  2.00
 12 ASN  HD22   28 CYS  HB3     3.78 #SUP  3.25
 28 CYS  HB3    54 CYS  HB2     4.45 #SUP  0.75
 19 ASP  HB2    20 ALA  H       4.24 #SUP  3.57
 11 LYS  HA     11 LYS  HE2     4.20 #SUP  0.67
 19 ASP  H      19 ASP  HB2     3.79 #SUP  4.47
  2 LYS  HA      3 TYR  HB2     5.50 #SUP  7.49
  3 TYR  HB2    17 LYS  H       5.43 #SUP  3.41
  3 TYR  H       3 TYR  HB2     4.07 #SUP  6.70
  3 TYR  HB2     4 THR  H       3.63 #SUP  4.73
  3 TYR  HB2    45 VAL  H       5.50 #SUP  5.79
  3 TYR  HB2    16 TYR  QD      3.73 #SUP  5.32
 41 ASN  HB2    55 ASP  HB2     4.83 #SUP  2.97
 55 ASP  H      55 ASP  HB2     3.24 #SUP  3.16
 41 ASN  HA     55 ASP  HB2     5.15 #SUP  0.02
 49 ASN  H      49 ASN  HB2     3.73 #SUP  6.11
 19 ASP  HB3    20 ALA  QB      5.31 #SUP  3.45
 19 ASP  H      19 ASP  HB3     3.50 #SUP  5.61
 50 ASN  H      50 ASN  HB3     3.92 #SUP  5.19
 19 ASP  HB3    20 ALA  H       4.32 #SUP  4.14
 50 ASN  HB3    50 ASN  HD21    3.93 #SUP  3.79
 49 ASN  HB2    49 ASN  HD22    4.01 #SUP  3.46
 48 TYR  QE     49 ASN  HB2     4.97 #SUP  4.17
 24 THR  QG2    25 PHE  QB      4.83 #SUP  4.63
 14 CYS  H      25 PHE  QB      5.41 #SUP  6.44
 25 PHE  QB     26 ILE  H       3.53 #SUP  5.21
 53 ASP  H      53 ASP  HB2     3.75 #SUP  3.57
 53 ASP  HB2    54 CYS  H       4.56 #SUP  3.64
 16 TYR  H      16 TYR  HB2     4.07 #SUP  6.13
  3 TYR  QD     16 TYR  HB2     4.98 #SUP  4.86
 16 TYR  HB2    17 LYS  H       3.22 #SUP  5.20
  3 TYR  HB3    16 TYR  HB2     4.80 #SUP  2.84
 16 TYR  HB2    45 VAL  QG2     5.35 #SUP  2.67
 42 LYS  H      55 ASP  HB3     3.76 #SUP  5.89
 39 ASP  HB2    40 ASN  H       3.88 #SUP  5.32
 41 ASN  HD21   55 ASP  HB3     4.62 #SUP  2.78
 43 CYS  HA     55 ASP  HB3     4.99 #SUP  4.42
 41 ASN  HB3    55 ASP  HB3     4.11 #SUP  4.25
 14 CYS  HB3    26 ILE  H       4.82 #SUP  4.14
  9 LYS  QG     39 ASP  HB2     4.90 #SUP  4.68
 14 CYS  H      14 CYS  HB3     3.50 #SUP  5.71
 39 ASP  H      39 ASP  HB2     3.42 #SUP  4.51
 14 CYS  HB3    52 VAL  QG1     4.23 #SUP  2.96
 14 CYS  HB3    26 ILE  QG2     4.09 #SUP  3.23
 14 CYS  HB3    45 VAL  QG2     5.20 #SUP  0.75
 18 ASN  H      18 ASN  HB3     3.62 #SUP  5.15
  3 TYR  QE     18 ASN  HB3     5.50 #SUP  3.35
 18 ASN  HB3    18 ASN  HD21    3.60 #SUP  5.13
  3 TYR  QD     18 ASN  HB3     5.26 #SUP  2.56
 31 PHE  H      31 PHE  HB3     3.38 #SUP  6.75
 18 ASN  HB3    24 THR  QG2     4.75 #SUP  4.48
 39 ASP  HB3    40 ASN  HD21    5.43 #SUP  3.84
 39 ASP  H      39 ASP  HB3     3.06 #SUP  4.18
 49 ASN  HB3    49 ASN  HD21    3.84 #SUP  4.67
 49 ASN  H      49 ASN  HB3     3.96 #SUP  7.17
 49 ASN  HB3    51 ALA  H       5.50 #SUP  1.08
 48 TYR  QD     49 ASN  HB3     4.39 #SUP  6.13
 48 TYR  QE     49 ASN  HB3     5.50 #SUP  4.82
 29 PRO  QB     31 PHE  QE      5.06 #SUP  2.81
 46 ASP  HB3    48 TYR  H       4.63 #SUP  4.15
 53 ASP  H      53 ASP  HB3     2.99 #SUP  3.57
 46 ASP  HB3    49 ASN  H       5.22 #SUP  3.34
 46 ASP  HB3    47 THR  H       4.46 #SUP  5.74
 46 ASP  H      46 ASP  HB3     3.63 #SUP  4.27
 46 ASP  HB3    51 ALA  H       4.24 #SUP  5.50
  2 LYS  HA     46 ASP  HB3     4.90 #SUP  5.04
 46 ASP  HB3    51 ALA  QB      4.15 #SUP  4.06
 44 THR  H      53 ASP  HB3     4.61 #SUP  5.74
 53 ASP  HB3    54 CYS  H       4.63 #SUP  3.74
 44 THR  QG2    53 ASP  HB3     5.49 #SUP  2.25
 44 THR  HB     53 ASP  HB3     4.29 #SUP  3.35
 24 THR  HB     25 PHE  QD      5.43 #SUP  5.41
  3 TYR  HB2    16 TYR  HB3     4.89 #SUP  3.06
  5 GLY  H      16 TYR  HB3     4.87 #SUP  1.60
 16 TYR  H      16 TYR  HB3     3.80 #SUP  6.25
 16 TYR  HB3    17 LYS  H       3.70 #SUP  5.48
 24 THR  HB     25 PHE  H       4.80 #SUP  5.58
  3 TYR  QD     16 TYR  HB3     5.50 #SUP  4.86
  5 GLY  QA     16 TYR  HB3     3.59 #SUP  4.87
 16 TYR  HB3    45 VAL  QG1     5.50 #SUP  2.91
 16 TYR  HB3    45 VAL  QG2     4.88 #SUP  4.29
 29 PRO  HG2    52 VAL  H       5.50 #SUP  2.00
 29 PRO  HG2    30 LYS  H       5.50 #SUP  4.77
 12 ASN  H      12 ASN  HB3     3.59 #SUP  5.70
 12 ASN  HB3    13 GLU  H       4.87 #SUP  5.58
 12 ASN  HB3    12 ASN  HD21    3.70 #SUP  3.73
 29 PRO  HG3    52 VAL  QG1     5.50 #SUP  2.68
 13 GLU  H      13 GLU  HG2     4.89 #SUP  6.28
 13 GLU  HG2    14 CYS  H       4.89 #SUP  6.80
 13 GLU  HG2    26 ILE  H       5.28 #SUP  7.57
 13 GLU  HG2    25 PHE  QD      4.62 #SUP  6.98
 13 GLU  HG2    25 PHE  QB      5.37 #SUP  6.00
  8 THR  H      13 GLU  HG2     5.50 #SUP  2.48
 13 GLU  HG3    14 CYS  H       4.78 #SUP  6.49
 13 GLU  HG3    26 ILE  H       5.50 #SUP  6.62
 13 GLU  HG3    25 PHE  QB      5.35 #SUP  4.97
 13 GLU  H      13 GLU  HG3     4.83 #SUP  6.08
 13 GLU  HG3    25 PHE  QD      4.91 #SUP  5.91
 52 VAL  H      52 VAL  HB      3.36 #SUP  5.35
 23 ASP  H      23 ASP  HB3     3.61 #SUP  3.10
 23 ASP  HB3    24 THR  H       4.34 #SUP  3.23
 23 ASP  HB3    25 PHE  QE      3.88 #SUP  2.69
  3 TYR  HB3    45 VAL  H       4.43 #SUP  6.44
  2 LYS  HA      3 TYR  HB3     4.82 #SUP  7.18
  3 TYR  H       3 TYR  HB3     3.58 #SUP  6.65
  3 TYR  HB3     4 THR  H       4.26 #SUP  4.86
  3 TYR  HB3    16 TYR  QD      4.03 #SUP  4.97
  3 TYR  HB3    45 VAL  QG2     5.00 #SUP  5.77
 13 GLU  HB2    26 ILE  H       3.75 #SUP  6.62
 13 GLU  H      13 GLU  HB2     4.09 #SUP  6.08
 13 GLU  HB2    14 CYS  H       3.95 #SUP  5.70
 13 GLU  HB2    25 PHE  QD      4.33 #SUP  5.91
 13 GLU  HB2    25 PHE  QB      4.31 #SUP  4.97
 41 ASN  HA     42 LYS  QB      5.45 #SUP  2.93
 42 LYS  QB     43 CYS  H       3.70 #SUP  5.47
 42 LYS  QB     43 CYS  HA      5.02 #SUP  2.77
 42 LYS  QB     55 ASP  HB2     4.33 #SUP  4.85
 42 LYS  QB     55 ASP  HB3     4.25 #SUP  5.00
 15 LYS  HB2    16 TYR  H       4.95 #SUP  4.31
 15 LYS  H      15 LYS  HB2     3.38 #SUP  4.44
 41 ASN  HB2    42 LYS  QB      5.50 #SUP  4.24
  9 LYS  QB     10 SER  H       3.80 #SUP  5.38
  9 LYS  H       9 LYS  QB      3.12 #SUP  4.17
  9 LYS  QB     39 ASP  H       4.17 #SUP  2.00
  9 LYS  QB     38 LYS  H       3.88 #SUP  4.08
 15 LYS  HB2    25 PHE  QE      4.26 #SUP  3.87
  7 CYS  HA     15 LYS  HB2     5.50 #SUP  1.00
  9 LYS  QB     10 SER  HA      4.78 #SUP  3.19
 15 LYS  HB2    25 PHE  QD      4.20 #SUP  5.00
 13 GLU  H      13 GLU  HB3     3.76 #SUP  7.34
 13 GLU  HB3    26 ILE  H       4.81 #SUP  5.99
 13 GLU  HB3    27 LYS  HA      3.13 #SUP  3.80
  6 LYS  HB2     7 CYS  H       4.33 #SUP  6.62
  6 LYS  HB2    40 ASN  HB3     4.16 #SUP  6.83
  6 LYS  HB2     6 LYS  HE2     3.41 #SUP  2.88
  6 LYS  HB2     6 LYS  HG2     2.92 #SUP  3.97
  6 LYS  HB3    43 CYS  HB2     5.50 #SUP  4.37
  6 LYS  HB3     7 CYS  H       3.94 #SUP  6.61
  2 LYS  HB2     3 TYR  H       4.36 #SUP  5.78
 22 LYS  HB2    23 ASP  H       3.90 #SUP  3.76
 18 ASN  HD21   22 LYS  HB2     4.73 #SUP  2.00
 18 ASN  HD22   22 LYS  HB2     4.23 #SUP  2.37
 30 LYS  QB     31 PHE  H       3.86 #SUP  7.34
 29 PRO  QD     30 LYS  QB      5.16 #SUP  5.24
 28 CYS  H      30 LYS  QB      5.50 #SUP  2.05
 30 LYS  QB     34 LYS  H       3.37 #SUP  2.31
 30 LYS  H      30 LYS  QB      3.42 #SUP  7.10
 30 LYS  QB     54 CYS  HB3     5.14 #SUP  0.75
 12 ASN  HD21   30 LYS  QB      5.50 #SUP  1.45
 30 LYS  QB     35 LYS  H       4.88 #SUP  1.49
 19 ASP  HB2    22 LYS  HB3     2.73 #SUP  2.32
 22 LYS  HB3    22 LYS  HG2     3.01 #SUP  3.08
  2 LYS  HB3     3 TYR  QD      5.08 #SUP  4.54
 22 LYS  HB3    23 ASP  H       4.64 #SUP  3.76
 22 LYS  H      22 LYS  HB3     3.16 #SUP  6.34
 18 ASN  HD21   22 LYS  HB3     4.35 #SUP  2.44
 18 ASN  HD22   22 LYS  HB3     3.83 #SUP  2.83
 15 LYS  H      15 LYS  HB3     3.60 #SUP  3.94
  2 LYS  H       2 LYS  HB3     3.95 #SUP  4.50
 15 LYS  HB3    16 TYR  H       4.39 #SUP  4.32
 15 LYS  HB3    25 PHE  QD      3.71 #SUP  5.03
 15 LYS  HB3    25 PHE  QE      2.99 #SUP  3.87
 30 LYS  QD     31 PHE  H       4.50 #SUP  6.54
 30 LYS  HA     30 LYS  QD      3.39 #SUP  4.37
 42 LYS  H      42 LYS  HG2     4.70 #SUP  6.16
 42 LYS  HG2    43 CYS  H       4.09 #SUP  4.76
 30 LYS  QD     54 CYS  HB3     5.50 #SUP  2.61
  6 LYS  HG2     7 CYS  H       5.50 #SUP  6.77
  6 LYS  H       6 LYS  HG2     4.90 #SUP  6.39
 20 ALA  QB     21 GLY  HA2     4.77 #SUP  4.82
 19 ASP  H      20 ALA  QB      5.47 #SUP  3.34
 20 ALA  QB     22 LYS  H       4.38 #SUP  5.80
 20 ALA  H      20 ALA  QB      3.14 #SUP  6.20
 42 LYS  H      42 LYS  HG3     4.60 #SUP  6.11
  6 LYS  H       6 LYS  HG3     5.12 #SUP  4.99
  6 LYS  HG3     7 CYS  H       5.35 #SUP  6.26
 42 LYS  HG3    43 CYS  H       3.68 #SUP  4.76
  6 LYS  HA      6 LYS  HG3     3.79 #SUP  5.84
  6 LYS  HG3    42 LYS  HA      5.27 #SUP  5.25
  4 THR  QG2     5 GLY  H       3.81 #SUP  0.99
 51 ALA  H      51 ALA  QB      3.14 #SUP  3.06
 49 ASN  HD21   51 ALA  QB      4.83 #SUP  2.14
 49 ASN  H      51 ALA  QB      5.13 #SUP  3.37
 49 ASN  HB3    51 ALA  QB      5.08 #SUP  4.75
  3 TYR  QD     47 THR  QG2     3.31 #SUP  3.96
 22 LYS  H      22 LYS  HG2     4.20 #SUP  5.55
  3 TYR  QE     47 THR  QG2     3.39 #SUP  4.41
 19 ASP  HB2    22 LYS  HG2     4.39 #SUP  1.15
  8 THR  QG2    13 GLU  HG3     5.41 #SUP  2.27
  8 THR  QG2    40 ASN  H       4.74 #SUP  4.39
  9 LYS  QG     10 SER  H       4.10 #SUP  5.61
  9 LYS  H       9 LYS  QG      3.14 #SUP  3.51
  9 LYS  QG     39 ASP  H       4.09 #SUP  5.48
  8 THR  QG2    11 LYS  H       4.49 #SUP  3.10
  7 CYS  HA      8 THR  QG2     5.39 #SUP  3.92
  9 LYS  QG     38 LYS  H       4.95 #SUP  6.28
 17 LYS  HG2    18 ASN  H       5.14 #SUP  3.90
  9 LYS  QG     38 LYS  HA      4.02 #SUP  3.47
  9 LYS  HA      9 LYS  QG      3.51 #SUP  3.12
  1 ALA  QB      2 LYS  H       4.11 #SUP  3.82
  3 TYR  HB3    45 VAL  HB      4.02 #SUP  7.04
 17 LYS  H      17 LYS  HG3     4.43 #SUP  4.72
  3 TYR  QD     45 VAL  HB      3.66 #SUP  7.52
  3 TYR  HB2    45 VAL  HB      3.96 #SUP  6.68
 45 VAL  H      45 VAL  HB      3.38 #SUP  3.85
 16 TYR  QD     45 VAL  HB      5.08 #SUP  1.50
 45 VAL  HB     52 VAL  QG2     5.50 #SUP  2.39
 26 ILE  QG2    45 VAL  HB      5.50 #SUP  1.48
 17 LYS  HG3    18 ASN  H       5.17 #SUP  4.92
 37 THR  QG2    41 ASN  HD21    5.50 #SUP  4.16
 37 THR  QG2    38 LYS  H       4.83 #SUP  3.65
 37 THR  QG2    41 ASN  HD22    5.50 #SUP  4.69
 22 LYS  H      22 LYS  HG3     4.67 #SUP  5.84
  2 LYS  HG3    46 ASP  HA      4.57 #SUP  4.98
  1 ALA  HA      2 LYS  HG3     5.50 #SUP  2.19
  2 LYS  HG3    46 ASP  HB3     4.81 #SUP  3.52
  5 GLY  H      44 THR  QG2     4.97 #SUP  2.25
 43 CYS  H      44 THR  QG2     5.50 #SUP  4.49
 43 CYS  HA     44 THR  QG2     4.87 #SUP  4.20
 30 LYS  H      30 LYS  QG      3.53 #SUP  7.05
 12 ASN  HD21   30 LYS  QG      5.03 #SUP  2.00
 30 LYS  HA     30 LYS  QG      3.79 #SUP  5.23
 12 ASN  HD22   30 LYS  QG      5.14 #SUP  2.96
 28 CYS  HB3    52 VAL  QG1     4.50 #SUP  3.06
 29 PRO  HG2    52 VAL  QG1     5.50 #SUP  4.37
 14 CYS  H      52 VAL  QG1     5.47 #SUP  1.50
 44 THR  H      52 VAL  QG1     5.50 #SUP  5.01
 28 CYS  H      52 VAL  QG1     5.50 #SUP  3.47
 52 VAL  H      52 VAL  QG1     4.46 #SUP  4.77
 43 CYS  HA     52 VAL  QG1     5.50 #SUP  1.50
 43 CYS  HB3    52 VAL  QG1     5.28 #SUP  2.48
 45 VAL  QG2    52 VAL  QG1     4.05 #SUP  5.25
 34 LYS  H      35 LYS  HG3     5.33 #SUP  1.43
 35 LYS  H      35 LYS  HG3     3.79 #SUP  2.49
 12 ASN  HD22   35 LYS  HG3     5.50 #SUP  1.08
 30 LYS  HA     35 LYS  HG3     5.50 #SUP  0.50
 50 ASN  HA     52 VAL  QG2     5.36 #SUP  1.65
 14 CYS  HB3    52 VAL  QG2     5.50 #SUP  0.75
 45 VAL  QG1    52 VAL  QG2     4.01 #SUP  6.68
 51 ALA  H      52 VAL  QG2     5.50 #SUP  4.90
 14 CYS  H      26 ILE  QG2     4.37 #SUP  6.62
 26 ILE  H      26 ILE  QG2     3.35 #SUP  5.49
 25 PHE  HA     26 ILE  QG2     4.84 #SUP  3.57
 16 TYR  QE     26 ILE  QG2     3.78 #SUP  2.96
 26 ILE  QG2    45 VAL  QG1     3.95 #SUP  1.50
 16 TYR  H      24 THR  QG2     5.50 #SUP  4.43
 18 ASN  H      24 THR  QG2     5.50 #SUP  5.69
 24 THR  QG2    25 PHE  QD      5.18 #SUP  5.89
 18 ASN  HD22   24 THR  QG2     5.50 #SUP  2.82
 24 THR  QG2    50 ASN  HD22    5.50 #SUP  0.75
 45 VAL  QG1    52 VAL  HB      5.50 #SUP  4.57
 45 VAL  QG1    47 THR  H       4.72 #SUP  5.91
  3 TYR  H      45 VAL  QG1     4.93 #SUP  7.32
  3 TYR  QD     45 VAL  QG1     4.02 #SUP  9.11
  3 TYR  QE     45 VAL  QG1     4.80 #SUP  5.11
 45 VAL  QG1    46 ASP  HA      5.33 #SUP  6.67
 45 VAL  QG1    47 THR  HA      4.33 #SUP  4.73
 45 VAL  QG1    47 THR  QG2     3.81 #SUP  3.44
 45 VAL  QG1    46 ASP  H       3.64 #SUP  6.09
  3 TYR  HB2    45 VAL  QG1     5.50 #SUP  6.79
  3 TYR  HB3    45 VAL  QG1     4.69 #SUP  7.75
 43 CYS  HB3    45 VAL  QG2     5.50 #SUP  3.33
 45 VAL  QG2    52 VAL  QG2     3.78 #SUP  7.15
 44 THR  HA     45 VAL  QG2     4.53 #SUP  6.64
 44 THR  HB     45 VAL  QG2     5.49 #SUP  5.56
 45 VAL  QG2    52 VAL  HB      5.50 #SUP  5.08
 26 ILE  QG2    45 VAL  QG2     3.59 #SUP  2.85
 16 TYR  QD     45 VAL  QG2     3.95 #SUP  5.53

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H        ALA   1 -15.920   2.287   1.675
    2    HA   ALA   1           HA       ALA   1 -16.007   2.586  -1.258
    3    HB1  ALA   1           1HB      ALA   1 -15.339   4.689  -1.039
    4    HB2  ALA   1           2HB      ALA   1 -15.489   4.524   0.711
    5    HB3  ALA   1           3HB      ALA   1 -13.948   4.187  -0.078
    6    H    LYS   2           H        LYS   2 -13.429   2.985  -1.869
    7    HA   LYS   2           HA       LYS   2 -11.668   1.120  -0.593
    8    HB2  LYS   2           1HB      LYS   2 -13.182   0.342  -3.025
    9    HB3  LYS   2           2HB      LYS   2 -11.473  -0.073  -2.990
   10    HG2  LYS   2           1HG      LYS   2 -11.949  -1.854  -1.775
   11    HG3  LYS   2           2HG      LYS   2 -12.553  -0.806  -0.489
   12    HD2  LYS   2           1HD      LYS   2 -14.389  -2.142  -0.925
   13    HD3  LYS   2           2HD      LYS   2 -14.717  -0.730  -1.932
   14    HE2  LYS   2           1HE      LYS   2 -13.138  -2.872  -3.199
   15    HE3  LYS   2           2HE      LYS   2 -14.811  -3.278  -2.820
   16    HZ1  LYS   2           3HZ      LYS   2 -13.887  -0.981  -4.459
   17    HZ2  LYS   2           1HZ      LYS   2 -15.499  -1.281  -4.040
   18    HZ3  LYS   2           2HZ      LYS   2 -14.665  -2.371  -5.028
   19    H    TYR   3           H        TYR   3  -9.584   0.908  -1.862
   20    HA   TYR   3           HA       TYR   3  -9.091   3.114  -3.705
   21    HB2  TYR   3           1HB      TYR   3  -7.304   2.754  -1.304
   22    HB3  TYR   3           2HB      TYR   3  -7.339   4.094  -2.445
   23    HD1  TYR   3           1HD      TYR   3  -9.134   5.775  -2.330
   24    HD2  TYR   3           2HD      TYR   3  -8.831   2.656   0.546
   25    HE1  TYR   3           1HE      TYR   3 -10.651   7.011  -0.839
   26    HE2  TYR   3           2HE      TYR   3 -10.348   3.882   2.045
   27    HH   TYR   3           HH       TYR   3 -10.967   6.461   2.326
   28    H    THR   4           H        THR   4  -7.085   2.924  -4.858
   29    HA   THR   4           HA       THR   4  -5.788   0.294  -4.670
   30    HB   THR   4           HB       THR   4  -6.370   1.496  -7.360
   31    HG1  THR   4           1HG      THR   4  -8.060  -0.217  -5.833
   32   HG21  THR   4          3HG2      THR   4  -6.452  -1.352  -7.244
   33   HG22  THR   4          1HG2      THR   4  -5.006  -0.798  -6.402
   34   HG23  THR   4          2HG2      THR   4  -5.292  -0.317  -8.074
   35    H    GLY   5           H        GLY   5  -3.621   0.237  -5.239
   36    HA2  GLY   5           1HA      GLY   5  -2.299   2.463  -6.465
   37    HA3  GLY   5           2HA      GLY   5  -2.030   2.413  -4.729
   38    H    LYS   6           H        LYS   6   0.206   2.085  -5.102
   39    HA   LYS   6           HA       LYS   6   0.858  -0.722  -5.569
   40    HB2  LYS   6           1HB      LYS   6   2.296   1.540  -6.968
   41    HB3  LYS   6           2HB      LYS   6   2.729  -0.162  -7.048
   42    HG2  LYS   6           1HG      LYS   6   1.572   0.043  -8.996
   43    HG3  LYS   6           2HG      LYS   6   0.254  -0.405  -7.912
   44    HD2  LYS   6           1HD      LYS   6  -0.799   1.489  -8.407
   45    HD3  LYS   6           2HD      LYS   6   0.573   2.417  -7.797
   46    HE2  LYS   6           1HE      LYS   6   1.654   2.212 -10.003
   47    HE3  LYS   6           2HE      LYS   6   0.238   1.348 -10.599
   48    HZ1  LYS   6           3HZ      LYS   6   0.577   4.187 -10.025
   49    HZ2  LYS   6           1HZ      LYS   6  -0.934   3.514  -9.670
   50    HZ3  LYS   6           2HZ      LYS   6  -0.318   3.428 -11.243
   51    H    CYS   7           H        CYS   7   3.256  -1.102  -5.043
   52    HA   CYS   7           HA       CYS   7   3.924   0.487  -2.655
   53    HB2  CYS   7           1HB      CYS   7   4.188  -2.426  -3.291
   54    HB3  CYS   7           2HB      CYS   7   5.317  -1.692  -2.159
   55    HG   CYS   7           HG       CYS   7   3.777  -2.134  -0.161
   56    H    THR   8           H        THR   8   6.339   0.360  -2.112
   57    HA   THR   8           HA       THR   8   7.892   0.741  -4.590
   58    HB   THR   8           HB       THR   8   9.154   2.148  -2.483
   59    HG1  THR   8           1HG      THR   8   7.515   3.501  -1.768
   60   HG21  THR   8          3HG2      THR   8   9.269   3.779  -4.045
   61   HG22  THR   8          1HG2      THR   8   7.553   3.674  -4.435
   62   HG23  THR   8          2HG2      THR   8   8.686   2.509  -5.121
   63    H    LYS   9           H        LYS   9   9.734  -0.376  -4.797
   64    HA   LYS   9           HA       LYS   9  10.381  -2.536  -3.202
   65    HB2  LYS   9           1HB      LYS   9  12.680  -2.348  -4.303
   66    HB3  LYS   9           2HB      LYS   9  11.293  -2.507  -5.372
   67    HG2  LYS   9           1HG      LYS   9  11.772  -0.596  -6.383
   68    HG3  LYS   9           2HG      LYS   9  11.837   0.266  -4.844
   69    HD2  LYS   9           1HD      LYS   9  13.979   0.532  -5.758
   70    HD3  LYS   9           2HD      LYS   9  14.163  -0.762  -4.572
   71    HE2  LYS   9           1HE      LYS   9  14.775  -2.225  -6.139
   72    HE3  LYS   9           2HE      LYS   9  13.417  -1.787  -7.175
   73    HZ1  LYS   9           3HZ      LYS   9  14.642  -0.195  -8.262
   74    HZ2  LYS   9           1HZ      LYS   9  15.824  -1.371  -7.977
   75    HZ3  LYS   9           2HZ      LYS   9  15.744   0.003  -6.993
   76    H    SER  10           H        SER  10  11.433   0.801  -2.949
   77    HA   SER  10           HA       SER  10  13.374   0.221  -0.889
   78    HB2  SER  10           1HB      SER  10  13.590   2.712  -0.775
   79    HB3  SER  10           2HB      SER  10  13.849   2.056  -2.391
   80    HG   SER  10           HG       SER  10  12.241   3.959  -1.819
   81    H    LYS  11           H        LYS  11  10.036   1.110  -1.088
   82    HA   LYS  11           HA       LYS  11   9.834   0.946   1.818
   83    HB2  LYS  11           1HB      LYS  11   9.918   3.415   0.663
   84    HB3  LYS  11           2HB      LYS  11   8.189   3.096   0.654
   85    HG2  LYS  11           1HG      LYS  11   8.125   3.788   2.755
   86    HG3  LYS  11           2HG      LYS  11   9.055   2.355   3.201
   87    HD2  LYS  11           1HD      LYS  11  11.132   3.670   2.666
   88    HD3  LYS  11           2HD      LYS  11  10.103   5.096   2.513
   89    HE2  LYS  11           1HE      LYS  11   9.818   3.477   4.978
   90    HE3  LYS  11           2HE      LYS  11  11.304   4.409   4.800
   91    HZ1  LYS  11           3HZ      LYS  11   9.509   5.615   5.960
   92    HZ2  LYS  11           1HZ      LYS  11   8.577   5.555   4.550
   93    HZ3  LYS  11           2HZ      LYS  11  10.038   6.406   4.562
   94    H    ASN  12           H        ASN  12   8.450  -0.671   2.103
   95    HA   ASN  12           HA       ASN  12   6.426  -1.301   0.153
   96    HB2  ASN  12           1HB      ASN  12   7.541  -3.132   1.269
   97    HB3  ASN  12           2HB      ASN  12   7.082  -2.505   2.849
   98   HD21  ASN  12          2HD2      ASN  12   5.761  -3.987   3.655
   99   HD22  ASN  12          1HD2      ASN  12   4.348  -4.601   2.873
  100    H    GLU  13           H        GLU  13   5.366   0.839   0.375
  101    HA   GLU  13           HA       GLU  13   3.289   0.699   2.444
  102    HB2  GLU  13           1HB      GLU  13   3.460   3.001   2.984
  103    HB3  GLU  13           2HB      GLU  13   5.097   2.363   3.048
  104    HG2  GLU  13           1HG      GLU  13   5.290   3.200   0.624
  105    HG3  GLU  13           2HG      GLU  13   3.856   4.153   0.999
  106    H    CYS  14           H        CYS  14   1.296   1.680   1.880
  107    HA   CYS  14           HA       CYS  14   0.807   1.667  -0.982
  108    HB2  CYS  14           1HB      CYS  14  -0.688   0.485   0.659
  109    HB3  CYS  14           2HB      CYS  14  -1.186   2.063   1.256
  110    HG   CYS  14           HG       CYS  14  -3.212   2.069  -0.320
  111    H    LYS  15           H        LYS  15   1.330   3.510  -1.987
  112    HA   LYS  15           HA       LYS  15   0.892   6.080  -0.708
  113    HB2  LYS  15           1HB      LYS  15   1.931   6.984  -2.796
  114    HB3  LYS  15           2HB      LYS  15   2.949   5.850  -1.919
  115    HG2  LYS  15           1HG      LYS  15   3.076   4.490  -3.665
  116    HG3  LYS  15           2HG      LYS  15   1.325   4.497  -3.885
  117    HD2  LYS  15           1HD      LYS  15   1.424   6.021  -5.532
  118    HD3  LYS  15           2HD      LYS  15   2.635   6.989  -4.686
  119    HE2  LYS  15           1HE      LYS  15   3.262   4.399  -6.090
  120    HE3  LYS  15           2HE      LYS  15   3.379   5.976  -6.869
  121    HZ1  LYS  15           3HZ      LYS  15   5.028   4.846  -4.714
  122    HZ2  LYS  15           1HZ      LYS  15   4.855   6.525  -4.830
  123    HZ3  LYS  15           2HZ      LYS  15   5.509   5.651  -6.122
  124    H    TYR  16           H        TYR  16  -1.519   5.281  -0.787
  125    HA   TYR  16           HA       TYR  16  -2.776   5.983  -3.333
  126    HB2  TYR  16           1HB      TYR  16  -4.756   4.961  -2.509
  127    HB3  TYR  16           2HB      TYR  16  -3.430   3.903  -2.038
  128    HD1  TYR  16           2HD      TYR  16  -2.558   4.072   0.350
  129    HD2  TYR  16           1HD      TYR  16  -6.227   5.830  -0.899
  130    HE1  TYR  16           2HE      TYR  16  -3.296   4.184   2.693
  131    HE2  TYR  16           1HE      TYR  16  -6.974   5.947   1.441
  132    HH   TYR  16           HH       TYR  16  -4.889   4.832   4.094
  133    H    LYS  17           H        LYS  17  -5.187   6.954  -2.572
  134    HA   LYS  17           HA       LYS  17  -4.593   9.358  -0.984
  135    HB2  LYS  17           1HB      LYS  17  -5.867  10.717  -2.580
  136    HB3  LYS  17           2HB      LYS  17  -4.475   9.964  -3.348
  137    HG2  LYS  17           1HG      LYS  17  -6.273   8.110  -3.936
  138    HG3  LYS  17           2HG      LYS  17  -7.369   9.483  -3.765
  139    HD2  LYS  17           1HD      LYS  17  -5.266  10.483  -5.268
  140    HD3  LYS  17           2HD      LYS  17  -5.497   8.849  -5.893
  141    HE2  LYS  17           1HE      LYS  17  -7.617   9.294  -6.648
  142    HE3  LYS  17           2HE      LYS  17  -7.896  10.556  -5.449
  143    HZ1  LYS  17           3HZ      LYS  17  -6.041  11.766  -6.792
  144    HZ2  LYS  17           1HZ      LYS  17  -7.640  11.782  -7.344
  145    HZ3  LYS  17           2HZ      LYS  17  -6.518  10.722  -8.035
  146    H    ASN  18           H        ASN  18  -6.121   9.921   0.456
  147    HA   ASN  18           HA       ASN  18  -8.687   8.477   0.346
  148    HB2  ASN  18           1HB      ASN  18  -8.653   8.130   2.636
  149    HB3  ASN  18           2HB      ASN  18  -6.942   7.983   2.244
  150   HD21  ASN  18          2HD2      ASN  18  -5.760  10.156   2.305
  151   HD22  ASN  18          1HD2      ASN  18  -6.092  11.149   3.679
  152    H    ASP  19           H        ASP  19 -10.435   9.615   1.642
  153    HA   ASP  19           HA       ASP  19 -11.744  11.434   2.073
  154    HB2  ASP  19           1HB      ASP  19  -9.504  12.301   3.061
  155    HB3  ASP  19           2HB      ASP  19  -9.414  13.271   1.594
  156    H    ALA  20           H        ALA  20  -9.379  12.734  -0.256
  157    HA   ALA  20           HA       ALA  20 -11.049  12.480  -2.513
  158    HB1  ALA  20           1HB      ALA  20 -11.028  15.217  -1.245
  159    HB2  ALA  20           2HB      ALA  20 -11.666  14.836  -2.846
  160    HB3  ALA  20           3HB      ALA  20 -12.422  14.148  -1.409
  161    H    GLY  21           H        GLY  21  -8.394  11.924  -2.055
  162    HA2  GLY  21           1HA      GLY  21  -6.670  12.144  -3.729
  163    HA3  GLY  21           2HA      GLY  21  -7.098  13.842  -3.879
  164    H    LYS  22           H        LYS  22  -6.988  12.619  -0.686
  165    HA   LYS  22           HA       LYS  22  -4.759  14.329  -0.055
  166    HB2  LYS  22           1HB      LYS  22  -6.962  13.339   1.342
  167    HB3  LYS  22           2HB      LYS  22  -5.580  12.546   2.086
  168    HG2  LYS  22           1HG      LYS  22  -5.825  15.521   1.693
  169    HG3  LYS  22           2HG      LYS  22  -6.233  14.666   3.183
  170    HD2  LYS  22           1HD      LYS  22  -3.849  13.748   3.101
  171    HD3  LYS  22           2HD      LYS  22  -3.541  14.988   1.883
  172    HE2  LYS  22           1HE      LYS  22  -4.480  16.644   3.585
  173    HE3  LYS  22           2HE      LYS  22  -4.322  15.343   4.764
  174    HZ1  LYS  22           3HZ      LYS  22  -2.186  16.724   3.260
  175    HZ2  LYS  22           1HZ      LYS  22  -1.923  15.215   3.979
  176    HZ3  LYS  22           2HZ      LYS  22  -2.349  16.544   4.933
  177    H    ASP  23           H        ASP  23  -2.721  13.718  -0.296
  178    HA   ASP  23           HA       ASP  23  -1.806  11.191  -0.923
  179    HB2  ASP  23           1HB      ASP  23  -0.580  13.704   0.005
  180    HB3  ASP  23           2HB      ASP  23   0.369  12.256   0.331
  181    H    THR  24           H        THR  24  -1.591   9.361   0.174
  182    HA   THR  24           HA       THR  24  -1.180   9.464   3.077
  183    HB   THR  24           HB       THR  24  -3.242   7.728   1.706
  184    HG1  THR  24           1HG      THR  24  -3.575   9.734   3.702
  185   HG21  THR  24          3HG2      THR  24  -3.775   6.953   3.992
  186   HG22  THR  24          1HG2      THR  24  -2.378   7.841   4.597
  187   HG23  THR  24          2HG2      THR  24  -2.151   6.491   3.485
  188    H    PHE  25           H        PHE  25   0.301   8.056   3.803
  189    HA   PHE  25           HA       PHE  25   1.100   5.837   2.045
  190    HB2  PHE  25           1HB      PHE  25   2.984   7.652   3.564
  191    HB3  PHE  25           2HB      PHE  25   3.454   6.251   2.606
  192    HD1  PHE  25           2HD      PHE  25   1.914   9.609   2.404
  193    HD2  PHE  25           1HD      PHE  25   3.799   6.427   0.297
  194    HE1  PHE  25           2HE      PHE  25   2.091  11.039   0.409
  195    HE2  PHE  25           1HE      PHE  25   3.981   7.852  -1.700
  196    HZ   PHE  25           HZ       PHE  25   3.125  10.161  -1.646
  197    H    ILE  26           H        ILE  26   0.652   4.019   3.089
  198    HA   ILE  26           HA       ILE  26   1.336   3.844   5.948
  199    HB   ILE  26           HB       ILE  26  -1.078   3.969   5.798
  200   HG12  ILE  26          1HG1      ILE  26  -1.661   1.849   6.894
  201   HG13  ILE  26          2HG1      ILE  26  -0.169   1.126   6.302
  202   HG21  ILE  26          1HG2      ILE  26  -1.675   1.507   4.468
  203   HG22  ILE  26          2HG2      ILE  26  -2.221   3.140   4.088
  204   HG23  ILE  26          3HG2      ILE  26  -0.711   2.535   3.407
  205   HD11  ILE  26          3HD1      ILE  26   0.035   1.750   8.630
  206   HD12  ILE  26          1HD1      ILE  26   1.123   2.716   7.632
  207   HD13  ILE  26          2HD1      ILE  26  -0.378   3.419   8.236
  208    H    LYS  27           H        LYS  27   2.752   2.294   6.375
  209    HA   LYS  27           HA       LYS  27   3.706   0.516   4.389
  210    HB2  LYS  27           1HB      LYS  27   4.120   0.472   7.384
  211    HB3  LYS  27           2HB      LYS  27   5.045  -0.467   6.220
  212    HG2  LYS  27           1HG      LYS  27   6.126   1.408   5.375
  213    HG3  LYS  27           2HG      LYS  27   4.917   2.516   6.028
  214    HD2  LYS  27           1HD      LYS  27   6.205   2.813   7.816
  215    HD3  LYS  27           2HD      LYS  27   5.996   1.107   8.219
  216    HE2  LYS  27           1HE      LYS  27   7.894   0.642   6.605
  217    HE3  LYS  27           2HE      LYS  27   8.180   2.381   6.587
  218    HZ1  LYS  27           3HZ      LYS  27   8.141   1.971   9.189
  219    HZ2  LYS  27           1HZ      LYS  27   9.555   1.813   8.272
  220    HZ3  LYS  27           2HZ      LYS  27   8.670   0.438   8.705
  221    H    CYS  28           H        CYS  28   3.020  -1.435   3.799
  222    HA   CYS  28           HA       CYS  28   0.677  -2.572   4.970
  223    HB2  CYS  28           1HB      CYS  28   2.534  -3.901   2.994
  224    HB3  CYS  28           2HB      CYS  28   0.829  -4.243   3.261
  225    HG   CYS  28           HG       CYS  28   1.962  -1.265   2.018
  226    HA   PRO  29           HA       PRO  29   2.376  -5.288   7.966
  227    HB2  PRO  29           1HB      PRO  29   0.637  -7.369   7.831
  228    HB3  PRO  29           2HB      PRO  29   0.214  -5.808   8.543
  229    HG2  PRO  29           1HG      PRO  29  -0.398  -6.872   5.812
  230    HG3  PRO  29           2HG      PRO  29  -1.450  -5.981   6.928
  231    HD2  PRO  29           1HD      PRO  29  -0.215  -4.796   4.830
  232    HD3  PRO  29           2HD      PRO  29  -0.546  -3.941   6.350
  233    H    LYS  30           H        LYS  30   4.323  -5.664   6.649
  234    HA   LYS  30           HA       LYS  30   4.516  -8.479   5.910
  235    HB2  LYS  30           1HB      LYS  30   5.269  -6.195   4.085
  236    HB3  LYS  30           2HB      LYS  30   5.841  -7.842   3.857
  237    HG2  LYS  30           1HG      LYS  30   2.917  -7.193   4.012
  238    HG3  LYS  30           2HG      LYS  30   3.821  -7.091   2.500
  239    HD2  LYS  30           1HD      LYS  30   3.822  -9.311   2.243
  240    HD3  LYS  30           2HD      LYS  30   4.314  -9.580   3.917
  241    HE2  LYS  30           1HE      LYS  30   1.582  -8.657   3.762
  242    HE3  LYS  30           2HE      LYS  30   1.820 -10.105   2.785
  243    HZ1  LYS  30           3HZ      LYS  30   2.128 -11.370   4.590
  244    HZ2  LYS  30           1HZ      LYS  30   1.340 -10.122   5.418
  245    HZ3  LYS  30           2HZ      LYS  30   3.030 -10.196   5.409
  246    H    PHE  31           H        PHE  31   5.550  -8.118   8.120
  247    HA   PHE  31           HA       PHE  31   8.134  -6.850   8.137
  248    HB2  PHE  31           1HB      PHE  31   6.445  -8.299  10.122
  249    HB3  PHE  31           2HB      PHE  31   8.175  -8.195  10.432
  250    HD1  PHE  31           2HD      PHE  31   5.112  -6.209   9.885
  251    HD2  PHE  31           1HD      PHE  31   9.163  -6.195  11.193
  252    HE1  PHE  31           2HE      PHE  31   4.806  -3.946  10.798
  253    HE2  PHE  31           1HE      PHE  31   8.862  -3.932  12.109
  254    HZ   PHE  31           HZ       PHE  31   6.682  -2.803  11.912
  255    H    ASP  32           H        ASP  32   9.743  -7.771   7.040
  256    HA   ASP  32           HA       ASP  32  11.173  -9.330   6.191
  257    HB2  ASP  32           1HB      ASP  32  10.653 -10.932   8.689
  258    HB3  ASP  32           2HB      ASP  32  12.148 -10.792   7.767
  259    H    ASN  33           H        ASN  33   8.373  -9.637   5.515
  260    HA   ASN  33           HA       ASN  33   8.347 -12.532   4.978
  261    HB2  ASN  33           1HB      ASN  33   6.333 -10.880   6.255
  262    HB3  ASN  33           2HB      ASN  33   5.692 -11.671   4.818
  263   HD21  ASN  33          2HD2      ASN  33   5.980 -11.978   8.026
  264   HD22  ASN  33          1HD2      ASN  33   5.957 -13.699   8.178
  265    H    LYS  34           H        LYS  34   7.519  -9.301   3.856
  266    HA   LYS  34           HA       LYS  34   8.205  -9.795   1.194
  267    HB2  LYS  34           1HB      LYS  34   5.494 -10.583   1.921
  268    HB3  LYS  34           2HB      LYS  34   5.517  -9.389   0.629
  269    HG2  LYS  34           1HG      LYS  34   7.457 -11.154  -0.162
  270    HG3  LYS  34           2HG      LYS  34   6.258 -12.206   0.593
  271    HD2  LYS  34           1HD      LYS  34   4.523 -10.996  -0.809
  272    HD3  LYS  34           2HD      LYS  34   5.877 -10.294  -1.699
  273    HE2  LYS  34           1HE      LYS  34   6.675 -12.570  -2.217
  274    HE3  LYS  34           2HE      LYS  34   5.267 -13.232  -1.387
  275    HZ1  LYS  34           3HZ      LYS  34   4.047 -12.942  -3.198
  276    HZ2  LYS  34           1HZ      LYS  34   5.443 -12.490  -4.039
  277    HZ3  LYS  34           2HZ      LYS  34   4.474 -11.309  -3.311
  278    H    LYS  35           H        LYS  35   9.137  -7.770   2.155
  279    HA   LYS  35           HA       LYS  35   7.372  -5.486   2.318
  280    HB2  LYS  35           1HB      LYS  35  10.393  -5.538   2.359
  281    HB3  LYS  35           2HB      LYS  35   9.354  -4.221   2.885
  282    HG2  LYS  35           1HG      LYS  35   8.623  -5.420   4.778
  283    HG3  LYS  35           2HG      LYS  35   9.291  -6.936   4.168
  284    HD2  LYS  35           1HD      LYS  35  10.839  -6.271   5.776
  285    HD3  LYS  35           2HD      LYS  35  11.562  -5.720   4.262
  286    HE2  LYS  35           1HE      LYS  35  11.792  -3.793   5.426
  287    HE3  LYS  35           2HE      LYS  35  10.133  -3.542   4.884
  288    HZ1  LYS  35           3HZ      LYS  35   9.989  -3.134   7.128
  289    HZ2  LYS  35           1HZ      LYS  35  11.113  -4.328   7.545
  290    HZ3  LYS  35           2HZ      LYS  35   9.551  -4.767   7.067
  291    H    CYS  36           H        CYS  36   6.924  -6.394  -0.109
  292    HA   CYS  36           HA       CYS  36   6.836  -5.795  -2.300
  293    HB2  CYS  36           1HB      CYS  36   6.717  -3.492  -1.274
  294    HB3  CYS  36           2HB      CYS  36   8.455  -3.367  -1.519
  295    HG   CYS  36           HG       CYS  36   6.806  -4.218  -4.293
  296    H    THR  37           H        THR  37   8.080  -5.818  -4.238
  297    HA   THR  37           HA       THR  37  10.964  -5.983  -4.059
  298    HB   THR  37           HB       THR  37  10.906  -8.264  -5.258
  299    HG1  THR  37           1HG      THR  37   9.062  -9.329  -5.247
  300   HG21  THR  37          3HG2      THR  37  10.077  -8.378  -2.371
  301   HG22  THR  37          1HG2      THR  37  11.641  -7.727  -2.859
  302   HG23  THR  37          2HG2      THR  37  11.229  -9.402  -3.230
  303    H    LYS  38           H        LYS  38   9.236  -4.222  -5.419
  304    HA   LYS  38           HA       LYS  38  10.379  -4.148  -7.954
  305    HB2  LYS  38           1HB      LYS  38   8.384  -6.079  -7.868
  306    HB3  LYS  38           2HB      LYS  38   7.587  -4.686  -8.587
  307    HG2  LYS  38           1HG      LYS  38   8.807  -4.792 -10.485
  308    HG3  LYS  38           2HG      LYS  38  10.253  -5.373  -9.654
  309    HD2  LYS  38           1HD      LYS  38   9.707  -7.534  -9.960
  310    HD3  LYS  38           2HD      LYS  38   7.996  -7.249  -9.636
  311    HE2  LYS  38           1HE      LYS  38   8.335  -7.989 -11.932
  312    HE3  LYS  38           2HE      LYS  38   7.723  -6.336 -11.889
  313    HZ1  LYS  38           3HZ      LYS  38  10.597  -6.517 -11.906
  314    HZ2  LYS  38           1HZ      LYS  38   9.568  -5.555 -12.843
  315    HZ3  LYS  38           2HZ      LYS  38   9.872  -7.156 -13.295
  316    H    ASP  39           H        ASP  39  10.208  -2.117  -8.676
  317    HA   ASP  39           HA       ASP  39   8.986  -0.093  -7.252
  318    HB2  ASP  39           1HB      ASP  39   9.474   0.019 -10.231
  319    HB3  ASP  39           2HB      ASP  39   9.486   1.358  -9.086
  320    H    ASN  40           H        ASN  40   6.934   0.428  -6.940
  321    HA   ASN  40           HA       ASN  40   4.666   0.494  -7.147
  322    HB2  ASN  40           1HB      ASN  40   4.868   0.649 -10.115
  323    HB3  ASN  40           2HB      ASN  40   3.925   1.634  -9.000
  324   HD21  ASN  40          2HD2      ASN  40   4.715   3.536  -8.340
  325   HD22  ASN  40          1HD2      ASN  40   6.277   4.151  -8.753
  326    H    ASN  41           H        ASN  41   5.346  -2.025  -6.776
  327    HA   ASN  41           HA       ASN  41   4.738  -3.877  -8.792
  328    HB2  ASN  41           1HB      ASN  41   5.436  -3.955  -6.042
  329    HB3  ASN  41           2HB      ASN  41   3.982  -4.928  -6.236
  330   HD21  ASN  41          2HD2      ASN  41   6.383  -6.039  -5.491
  331   HD22  ASN  41          1HD2      ASN  41   6.965  -7.051  -6.765
  332    H    LYS  42           H        LYS  42   2.701  -3.454  -5.916
  333    HA   LYS  42           HA       LYS  42   0.354  -2.677  -7.217
  334    HB2  LYS  42           1HB      LYS  42   0.329  -4.762  -8.370
  335    HB3  LYS  42           2HB      LYS  42   0.712  -5.656  -6.904
  336    HG2  LYS  42           1HG      LYS  42  -1.426  -5.681  -6.197
  337    HG3  LYS  42           2HG      LYS  42  -1.771  -4.071  -6.832
  338    HD2  LYS  42           1HD      LYS  42  -2.272  -4.865  -8.942
  339    HD3  LYS  42           2HD      LYS  42  -1.315  -6.334  -8.728
  340    HE2  LYS  42           1HE      LYS  42  -2.964  -7.327  -7.365
  341    HE3  LYS  42           2HE      LYS  42  -3.812  -5.797  -7.144
  342    HZ1  LYS  42           3HZ      LYS  42  -3.879  -6.090  -9.810
  343    HZ2  LYS  42           1HZ      LYS  42  -5.120  -6.574  -8.766
  344    HZ3  LYS  42           2HZ      LYS  42  -3.981  -7.701  -9.307
  345    H    CYS  43           H        CYS  43  -1.304  -2.300  -5.776
  346    HA   CYS  43           HA       CYS  43  -1.202  -3.436  -3.112
  347    HB2  CYS  43           1HB      CYS  43   0.225  -1.172  -3.430
  348    HB3  CYS  43           2HB      CYS  43  -1.357  -0.475  -3.102
  349    HG   CYS  43           HG       CYS  43   0.391  -0.677  -0.793
  350    H    THR  44           H        THR  44  -3.061  -2.604  -1.762
  351    HA   THR  44           HA       THR  44  -5.268  -1.358  -3.081
  352    HB   THR  44           HB       THR  44  -6.490  -3.780  -2.368
  353    HG1  THR  44           1HG      THR  44  -5.278  -5.189  -3.871
  354   HG21  THR  44          3HG2      THR  44  -6.774  -3.954  -4.902
  355   HG22  THR  44          1HG2      THR  44  -5.827  -2.470  -4.994
  356   HG23  THR  44          2HG2      THR  44  -7.364  -2.483  -4.129
  357    H    VAL  45           H        VAL  45  -6.725  -0.584  -1.633
  358    HA   VAL  45           HA       VAL  45  -6.565  -1.567   1.136
  359    HB   VAL  45           HB       VAL  45  -6.683   1.336   0.306
  360   HG11  VAL  45          1HG1      VAL  45  -6.920  -0.027   2.967
  361   HG12  VAL  45          2HG1      VAL  45  -6.353   1.640   2.833
  362   HG13  VAL  45          3HG1      VAL  45  -7.962   1.206   2.255
  363   HG21  VAL  45          3HG2      VAL  45  -4.463   0.188   0.083
  364   HG22  VAL  45          1HG2      VAL  45  -4.485   1.554   1.200
  365   HG23  VAL  45          2HG2      VAL  45  -4.509  -0.096   1.823
  366    H    ASP  46           H        ASP  46  -8.467  -1.555   2.300
  367    HA   ASP  46           HA       ASP  46 -10.888  -0.729   0.838
  368    HB2  ASP  46           1HB      ASP  46 -10.341  -3.291   1.082
  369    HB3  ASP  46           2HB      ASP  46 -10.953  -3.059   2.718
  370    H    THR  47           H        THR  47 -12.422   0.347   1.978
  371    HA   THR  47           HA       THR  47 -11.669   1.486   4.486
  372    HB   THR  47           HB       THR  47 -13.821   2.654   4.405
  373    HG1  THR  47           1HG      THR  47 -14.328   0.745   2.394
  374   HG21  THR  47          3HG2      THR  47 -12.516   3.984   3.140
  375   HG22  THR  47          1HG2      THR  47 -13.470   3.362   1.795
  376   HG23  THR  47          2HG2      THR  47 -11.909   2.636   2.178
  377    H    TYR  48           H        TYR  48 -13.141  -1.415   3.656
  378    HA   TYR  48           HA       TYR  48 -15.133  -1.815   5.518
  379    HB2  TYR  48           1HB      TYR  48 -14.397  -3.408   3.703
  380    HB3  TYR  48           2HB      TYR  48 -13.081  -3.900   4.764
  381    HD1  TYR  48           1HD      TYR  48 -13.819  -4.679   7.166
  382    HD2  TYR  48           2HD      TYR  48 -16.389  -4.583   3.776
  383    HE1  TYR  48           1HE      TYR  48 -15.299  -6.316   8.250
  384    HE2  TYR  48           2HE      TYR  48 -17.877  -6.220   4.852
  385    HH   TYR  48           HH       TYR  48 -16.995  -7.840   7.809
  386    H    ASN  49           H        ASN  49 -11.696  -2.677   5.937
  387    HA   ASN  49           HA       ASN  49 -11.829  -1.911   8.732
  388    HB2  ASN  49           1HB      ASN  49 -10.943  -4.105   9.509
  389    HB3  ASN  49           2HB      ASN  49 -12.582  -4.209   8.873
  390   HD21  ASN  49          2HD2      ASN  49 -12.043  -6.495   8.708
  391   HD22  ASN  49          1HD2      ASN  49 -11.217  -7.058   7.298
  392    H    ASN  50           H        ASN  50 -10.426  -0.817   6.556
  393    HA   ASN  50           HA       ASN  50  -8.350  -0.171   5.868
  394    HB2  ASN  50           1HB      ASN  50  -8.488   0.226   8.522
  395    HB3  ASN  50           2HB      ASN  50  -7.134  -0.899   8.478
  396   HD21  ASN  50          2HD2      ASN  50  -5.797  -0.237   6.258
  397   HD22  ASN  50          1HD2      ASN  50  -5.221   1.390   6.347
  398    H    ALA  51           H        ALA  51  -8.869  -2.683   5.010
  399    HA   ALA  51           HA       ALA  51  -6.653  -4.425   5.707
  400    HB1  ALA  51           1HB      ALA  51  -7.746  -5.861   3.858
  401    HB2  ALA  51           2HB      ALA  51  -8.599  -5.649   5.388
  402    HB3  ALA  51           3HB      ALA  51  -9.078  -4.710   3.975
  403    H    VAL  52           H        VAL  52  -4.762  -3.639   4.924
  404    HA   VAL  52           HA       VAL  52  -4.631  -2.746   2.140
  405    HB   VAL  52           HB       VAL  52  -2.425  -2.686   4.199
  406   HG11  VAL  52          1HG1      VAL  52  -1.401  -1.057   2.730
  407   HG12  VAL  52          2HG1      VAL  52  -1.732  -2.543   1.836
  408   HG13  VAL  52          3HG1      VAL  52  -2.781  -1.139   1.635
  409   HG21  VAL  52          3HG2      VAL  52  -3.162  -0.122   4.029
  410   HG22  VAL  52          1HG2      VAL  52  -4.729  -0.884   3.753
  411   HG23  VAL  52          2HG2      VAL  52  -3.828  -1.229   5.229
  412    H    ASP  53           H        ASP  53  -4.244  -4.260   0.671
  413    HA   ASP  53           HA       ASP  53  -2.885  -6.718   1.372
  414    HB2  ASP  53           1HB      ASP  53  -4.138  -5.733  -1.194
  415    HB3  ASP  53           2HB      ASP  53  -3.333  -7.293  -1.046
  416    H    CYS  54           H        CYS  54  -1.359  -7.506  -0.567
  417    HA   CYS  54           HA       CYS  54   0.438  -5.402  -1.450
  418    HB2  CYS  54           1HB      CYS  54   2.395  -6.252  -0.383
  419    HB3  CYS  54           2HB      CYS  54   1.172  -6.072   0.870
  420    HG   CYS  54           HG       CYS  54   2.736  -8.819  -0.204
  421    H    ASP  55           H        ASP  55   1.751  -5.999  -3.176
  422    HA   ASP  55           HA       ASP  55   0.759  -8.023  -4.858
  423    HB2  ASP  55           1HB      ASP  55   2.080  -5.891  -5.468
  424    HB3  ASP  55           2HB      ASP  55   3.518  -6.851  -5.129
  Start of MODEL    2
    1    H1   ALA   1           H        ALA   1 -15.695   1.623   1.845
    2    HA   ALA   1           HA       ALA   1 -15.865   2.152  -0.998
    3    HB1  ALA   1           1HB      ALA   1 -15.230   4.281  -1.012
    4    HB2  ALA   1           2HB      ALA   1 -15.492   4.306   0.732
    5    HB3  ALA   1           3HB      ALA   1 -13.890   3.950   0.086
    6    H    LYS   2           H        LYS   2 -13.431   2.420  -1.816
    7    HA   LYS   2           HA       LYS   2 -11.568   0.783  -0.314
    8    HB2  LYS   2           1HB      LYS   2 -12.583  -0.078  -3.029
    9    HB3  LYS   2           2HB      LYS   2 -11.235  -0.815  -2.173
   10    HG2  LYS   2           1HG      LYS   2 -12.826  -1.365  -0.322
   11    HG3  LYS   2           2HG      LYS   2 -14.134  -0.814  -1.371
   12    HD2  LYS   2           1HD      LYS   2 -12.170  -2.976  -2.120
   13    HD3  LYS   2           2HD      LYS   2 -13.748  -3.288  -1.393
   14    HE2  LYS   2           1HE      LYS   2 -14.880  -2.355  -3.269
   15    HE3  LYS   2           2HE      LYS   2 -13.377  -1.725  -3.941
   16    HZ1  LYS   2           3HZ      LYS   2 -12.802  -3.730  -4.768
   17    HZ2  LYS   2           1HZ      LYS   2 -14.474  -3.992  -4.743
   18    HZ3  LYS   2           2HZ      LYS   2 -13.504  -4.601  -3.499
   19    H    TYR   3           H        TYR   3  -9.473   0.520  -1.604
   20    HA   TYR   3           HA       TYR   3  -9.015   2.674  -3.516
   21    HB2  TYR   3           1HB      TYR   3  -7.214   2.406  -1.113
   22    HB3  TYR   3           2HB      TYR   3  -7.262   3.707  -2.298
   23    HD1  TYR   3           2HD      TYR   3  -9.251   5.256  -2.317
   24    HD2  TYR   3           1HD      TYR   3  -8.553   2.478   0.828
   25    HE1  TYR   3           2HE      TYR   3 -10.772   6.529  -0.864
   26    HE2  TYR   3           1HE      TYR   3 -10.073   3.742   2.291
   27    HH   TYR   3           HH       TYR   3 -11.756   6.645   1.121
   28    H    THR   4           H        THR   4  -7.242   2.354  -4.857
   29    HA   THR   4           HA       THR   4  -5.745  -0.150  -4.492
   30    HB   THR   4           HB       THR   4  -5.871  -0.478  -6.993
   31    HG1  THR   4           1HG      THR   4  -7.701   0.568  -7.994
   32   HG21  THR   4          3HG2      THR   4  -7.225  -2.057  -6.138
   33   HG22  THR   4          1HG2      THR   4  -8.535  -1.013  -6.684
   34   HG23  THR   4          2HG2      THR   4  -7.981  -0.932  -5.011
   35    H    GLY   5           H        GLY   5  -3.628  -0.136  -5.194
   36    HA2  GLY   5           1HA      GLY   5  -2.537   1.920  -6.839
   37    HA3  GLY   5           2HA      GLY   5  -2.202   2.231  -5.142
   38    H    LYS   6           H        LYS   6   0.023   1.974  -5.412
   39    HA   LYS   6           HA       LYS   6   0.891  -0.801  -5.407
   40    HB2  LYS   6           1HB      LYS   6   1.978   1.246  -7.349
   41    HB3  LYS   6           2HB      LYS   6   2.730  -0.312  -7.025
   42    HG2  LYS   6           1HG      LYS   6   1.547  -0.856  -8.881
   43    HG3  LYS   6           2HG      LYS   6   0.317  -1.196  -7.660
   44    HD2  LYS   6           1HD      LYS   6  -1.015   0.198  -8.780
   45    HD3  LYS   6           2HD      LYS   6   0.014   1.509  -8.197
   46    HE2  LYS   6           1HE      LYS   6  -0.257   1.636 -10.611
   47    HE3  LYS   6           2HE      LYS   6   1.419   1.286 -10.190
   48    HZ1  LYS   6           3HZ      LYS   6   1.276  -0.432 -11.563
   49    HZ2  LYS   6           1HZ      LYS   6  -0.394  -0.240 -11.758
   50    HZ3  LYS   6           2HZ      LYS   6   0.208  -1.165 -10.475
   51    H    CYS   7           H        CYS   7   3.250  -0.961  -4.821
   52    HA   CYS   7           HA       CYS   7   3.962   1.225  -2.978
   53    HB2  CYS   7           1HB      CYS   7   4.557  -1.730  -2.722
   54    HB3  CYS   7           2HB      CYS   7   5.091  -0.486  -1.599
   55    HG   CYS   7           HG       CYS   7   2.179   0.211  -1.300
   56    H    THR   8           H        THR   8   6.260   1.556  -2.603
   57    HA   THR   8           HA       THR   8   7.825   0.997  -5.033
   58    HB   THR   8           HB       THR   8   7.604   3.348  -4.773
   59    HG1  THR   8           1HG      THR   8   9.670   3.314  -5.252
   60   HG21  THR   8          3HG2      THR   8   8.158   2.788  -1.886
   61   HG22  THR   8          1HG2      THR   8   6.870   3.748  -2.611
   62   HG23  THR   8          2HG2      THR   8   8.516   4.377  -2.560
   63    H    LYS   9           H        LYS   9   9.880   0.168  -4.899
   64    HA   LYS   9           HA       LYS   9  10.496  -1.582  -2.828
   65    HB2  LYS   9           1HB      LYS   9  12.834  -1.542  -3.822
   66    HB3  LYS   9           2HB      LYS   9  11.527  -1.957  -4.923
   67    HG2  LYS   9           1HG      LYS   9  11.560   0.247  -5.879
   68    HG3  LYS   9           2HG      LYS   9  12.743   0.787  -4.686
   69    HD2  LYS   9           1HD      LYS   9  13.207  -1.390  -6.724
   70    HD3  LYS   9           2HD      LYS   9  13.755   0.281  -6.884
   71    HE2  LYS   9           1HE      LYS   9  14.587  -1.723  -4.791
   72    HE3  LYS   9           2HE      LYS   9  15.581  -1.063  -6.089
   73    HZ1  LYS   9           3HZ      LYS   9  16.133   0.074  -4.097
   74    HZ2  LYS   9           1HZ      LYS   9  14.511   0.388  -3.735
   75    HZ3  LYS   9           2HZ      LYS   9  15.248   1.157  -5.049
   76    H    SER  10           H        SER  10  11.108   1.813  -3.141
   77    HA   SER  10           HA       SER  10  13.175   1.956  -1.167
   78    HB2  SER  10           1HB      SER  10  13.272   4.182  -1.668
   79    HB3  SER  10           2HB      SER  10  12.366   3.660  -3.090
   80    HG   SER  10           HG       SER  10  11.612   5.348  -1.169
   81    H    LYS  11           H        LYS  11   9.719   1.911  -1.117
   82    HA   LYS  11           HA       LYS  11   9.727   1.817   1.770
   83    HB2  LYS  11           1HB      LYS  11   8.956   4.228   0.323
   84    HB3  LYS  11           2HB      LYS  11   7.667   3.627   1.357
   85    HG2  LYS  11           1HG      LYS  11   8.781   4.110   3.262
   86    HG3  LYS  11           2HG      LYS  11  10.362   3.765   2.557
   87    HD2  LYS  11           1HD      LYS  11   8.984   6.095   1.415
   88    HD3  LYS  11           2HD      LYS  11   9.427   6.256   3.117
   89    HE2  LYS  11           1HE      LYS  11  11.671   6.165   2.682
   90    HE3  LYS  11           2HE      LYS  11  11.461   5.182   1.233
   91    HZ1  LYS  11           3HZ      LYS  11  11.728   7.983   1.444
   92    HZ2  LYS  11           1HZ      LYS  11  10.236   7.619   0.735
   93    HZ3  LYS  11           2HZ      LYS  11  11.663   7.026   0.050
   94    H    ASN  12           H        ASN  12   8.483   0.134   2.226
   95    HA   ASN  12           HA       ASN  12   6.516  -0.826   0.356
   96    HB2  ASN  12           1HB      ASN  12   7.926  -2.393   1.625
   97    HB3  ASN  12           2HB      ASN  12   7.219  -1.812   3.130
   98   HD21  ASN  12          2HD2      ASN  12   5.965  -3.344   3.903
   99   HD22  ASN  12          1HD2      ASN  12   4.801  -4.254   3.008
  100    H    GLU  13           H        GLU  13   5.378   1.366   0.628
  101    HA   GLU  13           HA       GLU  13   3.267   1.018   2.643
  102    HB2  GLU  13           1HB      GLU  13   3.223   3.377   3.117
  103    HB3  GLU  13           2HB      GLU  13   4.863   2.790   3.359
  104    HG2  GLU  13           1HG      GLU  13   5.264   3.584   0.940
  105    HG3  GLU  13           2HG      GLU  13   3.785   4.515   1.171
  106    H    CYS  14           H        CYS  14   1.207   1.786   2.053
  107    HA   CYS  14           HA       CYS  14   0.696   1.672  -0.774
  108    HB2  CYS  14           1HB      CYS  14  -0.796   0.627   0.935
  109    HB3  CYS  14           2HB      CYS  14  -1.242   2.240   1.477
  110    HG   CYS  14           HG       CYS  14  -2.492   0.459  -0.985
  111    H    LYS  15           H        LYS  15   0.949   3.377  -2.045
  112    HA   LYS  15           HA       LYS  15   0.542   6.065  -0.945
  113    HB2  LYS  15           1HB      LYS  15   1.673   6.796  -3.080
  114    HB3  LYS  15           2HB      LYS  15   2.671   5.849  -1.984
  115    HG2  LYS  15           1HG      LYS  15   2.546   3.941  -3.345
  116    HG3  LYS  15           2HG      LYS  15   1.202   4.597  -4.280
  117    HD2  LYS  15           1HD      LYS  15   2.975   4.929  -5.719
  118    HD3  LYS  15           2HD      LYS  15   2.908   6.480  -4.877
  119    HE2  LYS  15           1HE      LYS  15   4.685   5.768  -3.382
  120    HE3  LYS  15           2HE      LYS  15   4.721   4.182  -4.148
  121    HZ1  LYS  15           3HZ      LYS  15   5.404   5.231  -6.212
  122    HZ2  LYS  15           1HZ      LYS  15   6.489   5.607  -4.971
  123    HZ3  LYS  15           2HZ      LYS  15   5.360   6.757  -5.483
  124    H    TYR  16           H        TYR  16  -1.836   5.367  -1.061
  125    HA   TYR  16           HA       TYR  16  -2.937   5.757  -3.752
  126    HB2  TYR  16           1HB      TYR  16  -4.934   4.739  -2.992
  127    HB3  TYR  16           2HB      TYR  16  -3.631   3.780  -2.297
  128    HD1  TYR  16           2HD      TYR  16  -2.951   4.307   0.127
  129    HD2  TYR  16           1HD      TYR  16  -6.594   5.638  -1.620
  130    HE1  TYR  16           2HE      TYR  16  -3.900   4.638   2.372
  131    HE2  TYR  16           1HE      TYR  16  -7.553   5.974   0.619
  132    HH   TYR  16           HH       TYR  16  -6.390   4.665   3.332
  133    H    LYS  17           H        LYS  17  -5.246   6.876  -3.545
  134    HA   LYS  17           HA       LYS  17  -4.752   9.451  -2.212
  135    HB2  LYS  17           1HB      LYS  17  -6.386   8.729  -4.643
  136    HB3  LYS  17           2HB      LYS  17  -6.496  10.297  -3.854
  137    HG2  LYS  17           1HG      LYS  17  -4.159  10.728  -4.307
  138    HG3  LYS  17           2HG      LYS  17  -3.979   9.120  -5.015
  139    HD2  LYS  17           1HD      LYS  17  -6.060  10.088  -6.459
  140    HD3  LYS  17           2HD      LYS  17  -5.154  11.571  -6.145
  141    HE2  LYS  17           1HE      LYS  17  -3.183   9.792  -6.843
  142    HE3  LYS  17           2HE      LYS  17  -4.521   9.311  -7.885
  143    HZ1  LYS  17           3HZ      LYS  17  -3.874  12.162  -7.677
  144    HZ2  LYS  17           1HZ      LYS  17  -4.500  11.289  -8.986
  145    HZ3  LYS  17           2HZ      LYS  17  -2.857  11.177  -8.602
  146    H    ASN  18           H        ASN  18  -5.689   9.333  -0.247
  147    HA   ASN  18           HA       ASN  18  -8.331   8.130   0.030
  148    HB2  ASN  18           1HB      ASN  18  -7.896   7.927   2.279
  149    HB3  ASN  18           2HB      ASN  18  -6.247   7.920   1.658
  150   HD21  ASN  18          2HD2      ASN  18  -5.357  10.239   1.380
  151   HD22  ASN  18          1HD2      ASN  18  -5.588  11.278   2.740
  152    H    ASP  19           H        ASP  19 -10.153   9.232   0.704
  153    HA   ASP  19           HA       ASP  19 -11.568  10.986   1.068
  154    HB2  ASP  19           1HB      ASP  19  -9.595  11.732   2.584
  155    HB3  ASP  19           2HB      ASP  19  -9.238  12.869   1.289
  156    H    ALA  20           H        ALA  20  -8.814  12.552  -0.567
  157    HA   ALA  20           HA       ALA  20 -10.054  12.591  -3.118
  158    HB1  ALA  20           1HB      ALA  20 -10.494  15.011  -3.271
  159    HB2  ALA  20           2HB      ALA  20 -11.539  14.206  -2.099
  160    HB3  ALA  20           3HB      ALA  20 -10.165  15.161  -1.544
  161    H    GLY  21           H        GLY  21  -7.597  11.763  -2.517
  162    HA2  GLY  21           1HA      GLY  21  -5.499  11.992  -3.497
  163    HA3  GLY  21           2HA      GLY  21  -5.935  13.623  -3.987
  164    H    LYS  22           H        LYS  22  -6.279  12.551  -0.687
  165    HA   LYS  22           HA       LYS  22  -4.510  14.642   0.207
  166    HB2  LYS  22           1HB      LYS  22  -6.518  12.869   1.405
  167    HB3  LYS  22           2HB      LYS  22  -5.138  13.182   2.449
  168    HG2  LYS  22           1HG      LYS  22  -6.012  15.633   1.259
  169    HG3  LYS  22           2HG      LYS  22  -7.380  14.810   2.011
  170    HD2  LYS  22           1HD      LYS  22  -6.444  16.162   3.703
  171    HD3  LYS  22           2HD      LYS  22  -5.893  14.521   4.051
  172    HE2  LYS  22           1HE      LYS  22  -3.828  15.356   4.113
  173    HE3  LYS  22           2HE      LYS  22  -3.949  15.540   2.363
  174    HZ1  LYS  22           3HZ      LYS  22  -3.286  17.608   3.373
  175    HZ2  LYS  22           1HZ      LYS  22  -4.635  17.596   4.392
  176    HZ3  LYS  22           2HZ      LYS  22  -4.839  17.779   2.724
  177    H    ASP  23           H        ASP  23  -2.429  14.454   0.721
  178    HA   ASP  23           HA       ASP  23  -0.877  12.248   0.135
  179    HB2  ASP  23           1HB      ASP  23   0.093  14.456   0.421
  180    HB3  ASP  23           2HB      ASP  23  -0.333  14.456   2.130
  181    H    THR  24           H        THR  24  -1.131  10.275   0.958
  182    HA   THR  24           HA       THR  24  -0.903   9.919   3.838
  183    HB   THR  24           HB       THR  24  -3.229   8.797   2.265
  184    HG1  THR  24           1HG      THR  24  -4.444  10.046   3.747
  185   HG21  THR  24          3HG2      THR  24  -2.468   7.100   3.777
  186   HG22  THR  24          1HG2      THR  24  -3.905   7.842   4.481
  187   HG23  THR  24          2HG2      THR  24  -2.306   8.268   5.089
  188    H    PHE  25           H        PHE  25   0.430   8.288   4.280
  189    HA   PHE  25           HA       PHE  25   0.674   6.077   2.370
  190    HB2  PHE  25           1HB      PHE  25   3.018   7.575   3.562
  191    HB3  PHE  25           2HB      PHE  25   3.127   6.134   2.556
  192    HD1  PHE  25           2HD      PHE  25   1.926   9.647   2.537
  193    HD2  PHE  25           1HD      PHE  25   3.269   6.320   0.246
  194    HE1  PHE  25           2HE      PHE  25   1.990  11.063   0.525
  195    HE2  PHE  25           1HE      PHE  25   3.336   7.731  -1.769
  196    HZ   PHE  25           HZ       PHE  25   2.695  10.104  -1.631
  197    H    ILE  26           H        ILE  26   0.592   4.159   3.338
  198    HA   ILE  26           HA       ILE  26   1.408   3.950   6.154
  199    HB   ILE  26           HB       ILE  26  -1.033   4.098   6.112
  200   HG12  ILE  26          1HG1      ILE  26  -0.130   1.267   6.678
  201   HG13  ILE  26          2HG1      ILE  26   0.144   2.630   7.757
  202   HG21  ILE  26          1HG2      ILE  26  -1.244   1.503   4.666
  203   HG22  ILE  26          2HG2      ILE  26  -2.417   2.811   4.815
  204   HG23  ILE  26          3HG2      ILE  26  -1.037   2.985   3.732
  205   HD11  ILE  26          3HD1      ILE  26  -1.730   1.666   8.664
  206   HD12  ILE  26          1HD1      ILE  26  -2.436   2.902   7.623
  207   HD13  ILE  26          2HD1      ILE  26  -2.394   1.221   7.092
  208    H    LYS  27           H        LYS  27   2.613   2.209   6.628
  209    HA   LYS  27           HA       LYS  27   3.657   0.590   4.560
  210    HB2  LYS  27           1HB      LYS  27   3.974   0.802   7.490
  211    HB3  LYS  27           2HB      LYS  27   4.338  -0.776   6.803
  212    HG2  LYS  27           1HG      LYS  27   6.392   0.193   6.673
  213    HG3  LYS  27           2HG      LYS  27   5.741   0.666   5.101
  214    HD2  LYS  27           1HD      LYS  27   6.522   2.689   5.834
  215    HD3  LYS  27           2HD      LYS  27   4.879   2.750   6.476
  216    HE2  LYS  27           1HE      LYS  27   5.705   1.942   8.639
  217    HE3  LYS  27           2HE      LYS  27   7.345   1.896   7.992
  218    HZ1  LYS  27           3HZ      LYS  27   6.514   3.944   9.341
  219    HZ2  LYS  27           1HZ      LYS  27   5.837   4.411   7.862
  220    HZ3  LYS  27           2HZ      LYS  27   7.505   4.164   7.987
  221    H    CYS  28           H        CYS  28   3.087  -1.365   3.809
  222    HA   CYS  28           HA       CYS  28   0.547  -2.455   4.591
  223    HB2  CYS  28           1HB      CYS  28   2.588  -3.554   2.647
  224    HB3  CYS  28           2HB      CYS  28   0.910  -4.064   2.790
  225    HG   CYS  28           HG       CYS  28   0.949  -2.590   0.504
  226    HA   PRO  29           HA       PRO  29   1.833  -5.508   7.468
  227    HB2  PRO  29           1HB      PRO  29   0.046  -7.488   6.963
  228    HB3  PRO  29           2HB      PRO  29  -0.394  -5.982   7.777
  229    HG2  PRO  29           1HG      PRO  29  -0.760  -6.763   4.910
  230    HG3  PRO  29           2HG      PRO  29  -1.888  -5.931   5.997
  231    HD2  PRO  29           1HD      PRO  29  -0.405  -4.616   4.152
  232    HD3  PRO  29           2HD      PRO  29  -0.858  -3.890   5.707
  233    H    LYS  30           H        LYS  30   3.897  -5.911   6.429
  234    HA   LYS  30           HA       LYS  30   4.027  -8.613   5.331
  235    HB2  LYS  30           1HB      LYS  30   5.130  -6.150   3.993
  236    HB3  LYS  30           2HB      LYS  30   5.770  -7.755   3.663
  237    HG2  LYS  30           1HG      LYS  30   2.903  -6.922   3.270
  238    HG3  LYS  30           2HG      LYS  30   4.121  -7.021   1.996
  239    HD2  LYS  30           1HD      LYS  30   4.406  -9.426   2.514
  240    HD3  LYS  30           2HD      LYS  30   3.103  -9.297   3.698
  241    HE2  LYS  30           1HE      LYS  30   1.670  -8.425   1.781
  242    HE3  LYS  30           2HE      LYS  30   2.953  -8.985   0.710
  243    HZ1  LYS  30           3HZ      LYS  30   2.222 -11.056   0.880
  244    HZ2  LYS  30           1HZ      LYS  30   0.869 -10.475   1.714
  245    HZ3  LYS  30           2HZ      LYS  30   2.229 -11.003   2.571
  246    H    PHE  31           H        PHE  31   4.698  -8.632   7.713
  247    HA   PHE  31           HA       PHE  31   7.330  -7.625   8.305
  248    HB2  PHE  31           1HB      PHE  31   5.224  -9.121   9.785
  249    HB3  PHE  31           2HB      PHE  31   6.879  -9.260  10.365
  250    HD1  PHE  31           1HD      PHE  31   8.060  -7.313  11.233
  251    HD2  PHE  31           2HD      PHE  31   4.004  -7.066   9.969
  252    HE1  PHE  31           1HE      PHE  31   7.827  -5.166  12.411
  253    HE2  PHE  31           2HE      PHE  31   3.765  -4.919  11.143
  254    HZ   PHE  31           HZ       PHE  31   5.678  -3.964  12.366
  255    H    ASP  32           H        ASP  32   8.327  -8.745   6.439
  256    HA   ASP  32           HA       ASP  32   9.734 -10.331   5.614
  257    HB2  ASP  32           1HB      ASP  32  10.401 -10.256   8.153
  258    HB3  ASP  32           2HB      ASP  32   9.647 -11.846   8.194
  259    H    ASN  33           H        ASN  33   8.125 -11.095   4.185
  260    HA   ASN  33           HA       ASN  33   7.625 -13.851   4.309
  261    HB2  ASN  33           1HB      ASN  33   5.904 -12.659   5.985
  262    HB3  ASN  33           2HB      ASN  33   4.995 -12.477   4.488
  263   HD21  ASN  33          2HD2      ASN  33   6.251 -14.693   6.830
  264   HD22  ASN  33          1HD2      ASN  33   5.390 -16.087   6.280
  265    H    LYS  34           H        LYS  34   6.652 -10.720   3.047
  266    HA   LYS  34           HA       LYS  34   7.104 -11.443   0.369
  267    HB2  LYS  34           1HB      LYS  34   4.839 -12.615   1.066
  268    HB3  LYS  34           2HB      LYS  34   4.177 -11.011   0.783
  269    HG2  LYS  34           1HG      LYS  34   3.892 -12.102  -1.246
  270    HG3  LYS  34           2HG      LYS  34   5.350 -11.138  -1.491
  271    HD2  LYS  34           1HD      LYS  34   6.745 -13.069  -1.118
  272    HD3  LYS  34           2HD      LYS  34   5.339 -14.050  -0.697
  273    HE2  LYS  34           1HE      LYS  34   5.381 -12.697  -3.347
  274    HE3  LYS  34           2HE      LYS  34   6.404 -14.113  -3.116
  275    HZ1  LYS  34           3HZ      LYS  34   3.895 -14.715  -2.072
  276    HZ2  LYS  34           1HZ      LYS  34   4.634 -15.373  -3.445
  277    HZ3  LYS  34           2HZ      LYS  34   3.637 -14.014  -3.590
  278    H    LYS  35           H        LYS  35   8.111  -9.365   1.519
  279    HA   LYS  35           HA       LYS  35   6.448  -7.018   1.366
  280    HB2  LYS  35           1HB      LYS  35   8.935  -7.696   2.541
  281    HB3  LYS  35           2HB      LYS  35   9.243  -6.381   1.414
  282    HG2  LYS  35           1HG      LYS  35   7.321  -5.164   2.523
  283    HG3  LYS  35           2HG      LYS  35   7.388  -6.406   3.775
  284    HD2  LYS  35           1HD      LYS  35  10.028  -5.421   3.262
  285    HD3  LYS  35           2HD      LYS  35   8.942  -4.063   3.566
  286    HE2  LYS  35           1HE      LYS  35   8.289  -4.956   5.673
  287    HE3  LYS  35           2HE      LYS  35   9.087  -6.492   5.340
  288    HZ1  LYS  35           3HZ      LYS  35  10.278  -3.904   6.070
  289    HZ2  LYS  35           1HZ      LYS  35  11.186  -5.012   5.168
  290    HZ3  LYS  35           2HZ      LYS  35  10.597  -5.445   6.693
  291    H    CYS  36           H        CYS  36   6.940  -5.177  -0.012
  292    HA   CYS  36           HA       CYS  36   6.940  -5.760  -2.709
  293    HB2  CYS  36           1HB      CYS  36   6.230  -3.598  -1.688
  294    HB3  CYS  36           2HB      CYS  36   7.926  -3.186  -1.465
  295    HG   CYS  36           HG       CYS  36   7.142  -4.010  -4.612
  296    H    THR  37           H        THR  37   8.475  -5.600  -4.368
  297    HA   THR  37           HA       THR  37  11.280  -5.301  -3.652
  298    HB   THR  37           HB       THR  37  11.799  -7.446  -4.969
  299    HG1  THR  37           1HG      THR  37   9.236  -8.262  -4.096
  300   HG21  THR  37          3HG2      THR  37  12.138  -7.194  -2.541
  301   HG22  THR  37          1HG2      THR  37  11.634  -8.828  -2.972
  302   HG23  THR  37          2HG2      THR  37  10.472  -7.704  -2.267
  303    H    LYS  38           H        LYS  38   9.604  -3.660  -5.197
  304    HA   LYS  38           HA       LYS  38  11.161  -3.241  -7.474
  305    HB2  LYS  38           1HB      LYS  38   9.162  -5.264  -7.822
  306    HB3  LYS  38           2HB      LYS  38   8.739  -3.869  -8.807
  307    HG2  LYS  38           1HG      LYS  38  11.558  -4.630  -8.971
  308    HG3  LYS  38           2HG      LYS  38  10.437  -5.865  -9.548
  309    HD2  LYS  38           1HD      LYS  38   9.362  -3.706 -10.723
  310    HD3  LYS  38           2HD      LYS  38  11.045  -3.184 -10.643
  311    HE2  LYS  38           1HE      LYS  38  11.764  -4.820 -12.072
  312    HE3  LYS  38           2HE      LYS  38  10.470  -5.931 -11.624
  313    HZ1  LYS  38           3HZ      LYS  38  10.578  -4.342 -13.865
  314    HZ2  LYS  38           1HZ      LYS  38   9.430  -3.600 -12.869
  315    HZ3  LYS  38           2HZ      LYS  38   9.244  -5.222 -13.311
  316    H    ASP  39           H        ASP  39  10.300  -1.519  -8.867
  317    HA   ASP  39           HA       ASP  39   8.984   0.475  -7.317
  318    HB2  ASP  39           1HB      ASP  39   9.322   0.704 -10.286
  319    HB3  ASP  39           2HB      ASP  39   9.474   1.949  -9.048
  320    H    ASN  40           H        ASN  40   6.877   0.439  -6.910
  321    HA   ASN  40           HA       ASN  40   4.624   0.309  -7.183
  322    HB2  ASN  40           1HB      ASN  40   5.625   1.092  -9.852
  323    HB3  ASN  40           2HB      ASN  40   3.999   0.418  -9.820
  324   HD21  ASN  40          2HD2      ASN  40   6.010   2.761  -8.078
  325   HD22  ASN  40          1HD2      ASN  40   4.759   3.933  -7.863
  326    H    ASN  41           H        ASN  41   4.950  -1.943  -6.456
  327    HA   ASN  41           HA       ASN  41   4.817  -4.014  -8.472
  328    HB2  ASN  41           1HB      ASN  41   5.375  -3.865  -5.616
  329    HB3  ASN  41           2HB      ASN  41   4.305  -5.207  -6.016
  330   HD21  ASN  41          2HD2      ASN  41   6.193  -6.428  -5.230
  331   HD22  ASN  41          1HD2      ASN  41   7.432  -6.829  -6.365
  332    H    LYS  42           H        LYS  42   2.841  -3.747  -5.542
  333    HA   LYS  42           HA       LYS  42   0.377  -3.260  -6.763
  334    HB2  LYS  42           1HB      LYS  42   0.544  -5.347  -7.898
  335    HB3  LYS  42           2HB      LYS  42   1.086  -6.173  -6.443
  336    HG2  LYS  42           1HG      LYS  42  -1.006  -6.430  -5.644
  337    HG3  LYS  42           2HG      LYS  42  -1.562  -4.884  -6.292
  338    HD2  LYS  42           1HD      LYS  42  -0.937  -6.601  -8.474
  339    HD3  LYS  42           2HD      LYS  42  -1.963  -7.489  -7.345
  340    HE2  LYS  42           1HE      LYS  42  -3.498  -5.495  -7.348
  341    HE3  LYS  42           2HE      LYS  42  -2.534  -4.848  -8.675
  342    HZ1  LYS  42           3HZ      LYS  42  -3.294  -6.420 -10.119
  343    HZ2  LYS  42           1HZ      LYS  42  -4.657  -6.279  -9.127
  344    HZ3  LYS  42           2HZ      LYS  42  -3.588  -7.572  -8.915
  345    H    CYS  43           H        CYS  43  -1.265  -3.065  -5.266
  346    HA   CYS  43           HA       CYS  43  -1.208  -4.255  -2.692
  347    HB2  CYS  43           1HB      CYS  43  -0.695  -2.359  -1.316
  348    HB3  CYS  43           2HB      CYS  43   0.624  -2.553  -2.463
  349    HG   CYS  43           HG       CYS  43   0.548   0.038  -2.706
  350    H    THR  44           H        THR  44  -3.046  -3.700  -1.412
  351    HA   THR  44           HA       THR  44  -5.044  -1.993  -2.712
  352    HB   THR  44           HB       THR  44  -6.397  -4.246  -1.584
  353    HG1  THR  44           1HG      THR  44  -5.492  -5.670  -3.414
  354   HG21  THR  44          3HG2      THR  44  -7.565  -4.222  -3.589
  355   HG22  THR  44          1HG2      THR  44  -6.158  -3.706  -4.520
  356   HG23  THR  44          2HG2      THR  44  -6.992  -2.558  -3.471
  357    H    VAL  45           H        VAL  45  -6.883  -1.483  -1.276
  358    HA   VAL  45           HA       VAL  45  -6.452  -1.892   1.570
  359    HB   VAL  45           HB       VAL  45  -6.494   0.880   0.368
  360   HG11  VAL  45          1HG1      VAL  45  -7.774   0.942   2.371
  361   HG12  VAL  45          2HG1      VAL  45  -6.597  -0.056   3.228
  362   HG13  VAL  45          3HG1      VAL  45  -6.181   1.592   2.757
  363   HG21  VAL  45          3HG2      VAL  45  -4.272   1.095   1.403
  364   HG22  VAL  45          1HG2      VAL  45  -4.352  -0.597   1.894
  365   HG23  VAL  45          2HG2      VAL  45  -4.316  -0.178   0.182
  366    H    ASP  46           H        ASP  46  -8.303  -1.683   2.789
  367    HA   ASP  46           HA       ASP  46 -10.759  -0.993   1.315
  368    HB2  ASP  46           1HB      ASP  46 -10.108  -3.351   3.008
  369    HB3  ASP  46           2HB      ASP  46 -11.736  -2.693   3.134
  370    H    THR  47           H        THR  47 -12.411   0.036   2.472
  371    HA   THR  47           HA       THR  47 -11.465   1.646   4.682
  372    HB   THR  47           HB       THR  47 -13.599   2.834   4.493
  373    HG1  THR  47           1HG      THR  47 -15.121   1.430   3.871
  374   HG21  THR  47          3HG2      THR  47 -13.264   2.989   1.732
  375   HG22  THR  47          1HG2      THR  47 -11.681   2.522   2.349
  376   HG23  THR  47          2HG2      THR  47 -12.466   3.983   2.949
  377    H    TYR  48           H        TYR  48 -13.185  -1.259   4.290
  378    HA   TYR  48           HA       TYR  48 -15.025  -1.276   6.344
  379    HB2  TYR  48           1HB      TYR  48 -14.965  -3.159   4.914
  380    HB3  TYR  48           2HB      TYR  48 -13.261  -3.457   5.239
  381    HD1  TYR  48           1HD      TYR  48 -15.980  -2.809   7.692
  382    HD2  TYR  48           2HD      TYR  48 -13.260  -5.648   6.065
  383    HE1  TYR  48           1HE      TYR  48 -16.602  -4.407   9.456
  384    HE2  TYR  48           2HE      TYR  48 -13.876  -7.254   7.823
  385    HH   TYR  48           HH       TYR  48 -16.544  -7.069   9.631
  386    H    ASN  49           H        ASN  49 -11.626  -2.344   6.561
  387    HA   ASN  49           HA       ASN  49 -11.466  -1.316   9.268
  388    HB2  ASN  49           1HB      ASN  49 -12.352  -3.744   9.310
  389    HB3  ASN  49           2HB      ASN  49 -10.718  -4.198   8.838
  390   HD21  ASN  49          2HD2      ASN  49  -9.560  -4.838  10.490
  391   HD22  ASN  49          1HD2      ASN  49  -9.621  -4.198  12.093
  392    H    ASN  50           H        ASN  50 -10.206  -0.517   6.886
  393    HA   ASN  50           HA       ASN  50  -8.169  -0.070   5.967
  394    HB2  ASN  50           1HB      ASN  50  -7.608  -0.326   8.901
  395    HB3  ASN  50           2HB      ASN  50  -6.276  -0.056   7.781
  396   HD21  ASN  50          2HD2      ASN  50  -5.995   1.920   6.878
  397   HD22  ASN  50          1HD2      ASN  50  -6.954   3.302   7.273
  398    H    ALA  51           H        ALA  51  -8.862  -2.572   5.334
  399    HA   ALA  51           HA       ALA  51  -6.843  -4.483   6.093
  400    HB1  ALA  51           1HB      ALA  51  -9.312  -4.505   4.489
  401    HB2  ALA  51           2HB      ALA  51  -8.061  -5.639   3.982
  402    HB3  ALA  51           3HB      ALA  51  -8.685  -5.694   5.630
  403    H    VAL  52           H        VAL  52  -4.967  -3.252   5.433
  404    HA   VAL  52           HA       VAL  52  -4.563  -2.702   2.631
  405    HB   VAL  52           HB       VAL  52  -2.549  -2.623   4.881
  406   HG11  VAL  52          1HG1      VAL  52  -1.237  -1.226   3.417
  407   HG12  VAL  52          2HG1      VAL  52  -1.603  -2.744   2.595
  408   HG13  VAL  52          3HG1      VAL  52  -2.495  -1.280   2.182
  409   HG21  VAL  52          3HG2      VAL  52  -3.034  -0.067   4.514
  410   HG22  VAL  52          1HG2      VAL  52  -4.588  -0.667   3.937
  411   HG23  VAL  52          2HG2      VAL  52  -4.055  -1.035   5.577
  412    H    ASP  53           H        ASP  53  -3.544  -3.935   1.166
  413    HA   ASP  53           HA       ASP  53  -2.348  -6.459   2.106
  414    HB2  ASP  53           1HB      ASP  53  -3.692  -5.913  -0.550
  415    HB3  ASP  53           2HB      ASP  53  -3.009  -7.452  -0.033
  416    H    CYS  54           H        CYS  54  -1.043  -7.334  -0.057
  417    HA   CYS  54           HA       CYS  54   0.604  -5.221  -1.165
  418    HB2  CYS  54           1HB      CYS  54   1.417  -6.529   1.190
  419    HB3  CYS  54           2HB      CYS  54   2.381  -7.232  -0.103
  420    HG   CYS  54           HG       CYS  54   4.109  -5.346  -0.100
  421    H    ASP  55           H        ASP  55   2.282  -6.148  -2.674
  422    HA   ASP  55           HA       ASP  55   1.023  -7.943  -4.470
  423    HB2  ASP  55           1HB      ASP  55   2.608  -6.138  -5.148
  424    HB3  ASP  55           2HB      ASP  55   3.921  -7.075  -4.440
  Start of MODEL    3
    1    H1   ALA   1           H        ALA   1 -15.790   1.963   1.744
    2    HA   ALA   1           HA       ALA   1 -15.870   2.898  -0.952
    3    HB1  ALA   1           1HB      ALA   1 -15.336   4.863   0.946
    4    HB2  ALA   1           2HB      ALA   1 -13.760   4.435   0.277
    5    HB3  ALA   1           3HB      ALA   1 -15.058   4.961  -0.793
    6    H    LYS   2           H        LYS   2 -13.253   3.236  -1.537
    7    HA   LYS   2           HA       LYS   2 -11.573   1.297  -0.265
    8    HB2  LYS   2           1HB      LYS   2 -13.236   0.490  -2.515
    9    HB3  LYS   2           2HB      LYS   2 -11.523   0.257  -2.841
   10    HG2  LYS   2           1HG      LYS   2 -11.304  -1.084  -0.825
   11    HG3  LYS   2           2HG      LYS   2 -13.011  -0.824  -0.455
   12    HD2  LYS   2           1HD      LYS   2 -12.386  -1.912  -3.134
   13    HD3  LYS   2           2HD      LYS   2 -12.102  -2.984  -1.761
   14    HE2  LYS   2           1HE      LYS   2 -14.515  -2.098  -1.079
   15    HE3  LYS   2           2HE      LYS   2 -14.642  -1.875  -2.823
   16    HZ1  LYS   2           3HZ      LYS   2 -13.765  -4.434  -1.622
   17    HZ2  LYS   2           1HZ      LYS   2 -14.307  -4.149  -3.200
   18    HZ3  LYS   2           2HZ      LYS   2 -15.396  -4.086  -1.907
   19    H    TYR   3           H        TYR   3  -9.501   0.996  -1.563
   20    HA   TYR   3           HA       TYR   3  -8.916   3.216  -3.362
   21    HB2  TYR   3           1HB      TYR   3  -7.136   2.721  -0.981
   22    HB3  TYR   3           2HB      TYR   3  -7.111   4.083  -2.096
   23    HD1  TYR   3           1HD      TYR   3  -8.921   5.794  -1.989
   24    HD2  TYR   3           2HD      TYR   3  -8.556   2.715   0.926
   25    HE1  TYR   3           1HE      TYR   3 -10.369   7.072  -0.466
   26    HE2  TYR   3           2HE      TYR   3 -10.005   3.985   2.456
   27    HH   TYR   3           HH       TYR   3 -10.751   6.238   2.839
   28    H    THR   4           H        THR   4  -6.816   2.992  -4.426
   29    HA   THR   4           HA       THR   4  -5.559   0.370  -4.272
   30    HB   THR   4           HB       THR   4  -6.457   1.342  -6.974
   31    HG1  THR   4           1HG      THR   4  -7.854  -0.363  -5.166
   32   HG21  THR   4          3HG2      THR   4  -5.108  -1.025  -5.862
   33   HG22  THR   4          1HG2      THR   4  -5.015  -0.320  -7.476
   34   HG23  THR   4          2HG2      THR   4  -6.365  -1.370  -7.048
   35    H    GLY   5           H        GLY   5  -3.501   0.268  -5.313
   36    HA2  GLY   5           1HA      GLY   5  -2.338   2.358  -6.780
   37    HA3  GLY   5           2HA      GLY   5  -1.973   2.618  -5.080
   38    H    LYS   6           H        LYS   6   0.214   2.253  -5.230
   39    HA   LYS   6           HA       LYS   6   0.980  -0.550  -5.498
   40    HB2  LYS   6           1HB      LYS   6   2.432   1.655  -6.971
   41    HB3  LYS   6           2HB      LYS   6   2.859  -0.051  -6.962
   42    HG2  LYS   6           1HG      LYS   6   1.766   0.079  -8.955
   43    HG3  LYS   6           2HG      LYS   6   0.414  -0.328  -7.894
   44    HD2  LYS   6           1HD      LYS   6  -0.621   1.567  -8.425
   45    HD3  LYS   6           2HD      LYS   6   0.785   2.513  -7.930
   46    HE2  LYS   6           1HE      LYS   6   1.747   1.786 -10.234
   47    HE3  LYS   6           2HE      LYS   6   0.062   1.458 -10.635
   48    HZ1  LYS   6           3HZ      LYS   6   0.258   3.623 -11.292
   49    HZ2  LYS   6           1HZ      LYS   6   1.375   4.023 -10.085
   50    HZ3  LYS   6           2HZ      LYS   6  -0.262   3.856  -9.698
   51    H    CYS   7           H        CYS   7   3.459  -0.707  -4.966
   52    HA   CYS   7           HA       CYS   7   3.878   0.902  -2.540
   53    HB2  CYS   7           1HB      CYS   7   4.045  -1.897  -3.041
   54    HB3  CYS   7           2HB      CYS   7   5.663  -1.321  -2.654
   55    HG   CYS   7           HG       CYS   7   3.243  -0.232  -0.595
   56    H    THR   8           H        THR   8   6.495   0.586  -2.047
   57    HA   THR   8           HA       THR   8   7.916   1.504  -4.448
   58    HB   THR   8           HB       THR   8   8.993   2.945  -2.269
   59    HG1  THR   8           1HG      THR   8   7.197   2.999  -1.069
   60   HG21  THR   8          3HG2      THR   8   7.752   3.454  -4.874
   61   HG22  THR   8          1HG2      THR   8   9.187   4.174  -4.143
   62   HG23  THR   8          2HG2      THR   8   7.585   4.783  -3.727
   63    H    LYS   9           H        LYS   9   9.878   0.627  -4.696
   64    HA   LYS   9           HA       LYS   9  10.776  -1.495  -3.139
   65    HB2  LYS   9           1HB      LYS   9  12.989  -1.102  -4.328
   66    HB3  LYS   9           2HB      LYS   9  11.583  -1.349  -5.356
   67    HG2  LYS   9           1HG      LYS   9  11.715   0.703  -6.241
   68    HG3  LYS   9           2HG      LYS   9  12.123   1.453  -4.696
   69    HD2  LYS   9           1HD      LYS   9  14.060   1.759  -5.934
   70    HD3  LYS   9           2HD      LYS   9  14.418   0.292  -5.022
   71    HE2  LYS   9           1HE      LYS   9  14.874  -0.697  -6.962
   72    HE3  LYS   9           2HE      LYS   9  13.155  -0.596  -7.340
   73    HZ1  LYS   9           3HZ      LYS   9  13.896   0.562  -9.097
   74    HZ2  LYS   9           1HZ      LYS   9  15.370   0.962  -8.370
   75    HZ3  LYS   9           2HZ      LYS   9  13.979   1.853  -8.007
   76    H    SER  10           H        SER  10  11.269   1.921  -2.775
   77    HA   SER  10           HA       SER  10  13.438   1.601  -0.877
   78    HB2  SER  10           1HB      SER  10  12.792   4.206  -0.648
   79    HB3  SER  10           2HB      SER  10  13.821   3.586  -1.938
   80    HG   SER  10           HG       SER  10  12.322   4.657  -3.045
   81    H    LYS  11           H        LYS  11  10.022   1.735  -0.844
   82    HA   LYS  11           HA       LYS  11   9.985   1.444   2.027
   83    HB2  LYS  11           1HB      LYS  11   9.803   4.003   1.179
   84    HB3  LYS  11           2HB      LYS  11   8.108   3.541   1.109
   85    HG2  LYS  11           1HG      LYS  11   7.925   3.329   3.368
   86    HG3  LYS  11           2HG      LYS  11   9.619   2.882   3.575
   87    HD2  LYS  11           1HD      LYS  11   9.216   5.597   2.554
   88    HD3  LYS  11           2HD      LYS  11   8.548   5.328   4.166
   89    HE2  LYS  11           1HE      LYS  11  10.830   4.253   4.691
   90    HE3  LYS  11           2HE      LYS  11  11.386   5.069   3.230
   91    HZ1  LYS  11           3HZ      LYS  11  11.841   6.491   5.044
   92    HZ2  LYS  11           1HZ      LYS  11  10.285   6.314   5.685
   93    HZ3  LYS  11           2HZ      LYS  11  10.513   7.166   4.242
   94    H    ASN  12           H        ASN  12   8.647  -0.189   2.385
   95    HA   ASN  12           HA       ASN  12   6.706  -0.986   0.415
   96    HB2  ASN  12           1HB      ASN  12   8.006  -2.665   1.654
   97    HB3  ASN  12           2HB      ASN  12   7.283  -2.116   3.163
   98   HD21  ASN  12          2HD2      ASN  12   5.681  -3.311   3.861
   99   HD22  ASN  12          1HD2      ASN  12   4.606  -4.253   2.889
  100    H    GLU  13           H        GLU  13   5.729   1.313   0.842
  101    HA   GLU  13           HA       GLU  13   3.570   0.985   2.821
  102    HB2  GLU  13           1HB      GLU  13   3.544   3.386   3.150
  103    HB3  GLU  13           2HB      GLU  13   5.159   2.766   3.461
  104    HG2  GLU  13           1HG      GLU  13   5.756   3.448   1.118
  105    HG3  GLU  13           2HG      GLU  13   4.202   4.274   1.046
  106    H    CYS  14           H        CYS  14   1.501   1.670   2.229
  107    HA   CYS  14           HA       CYS  14   0.954   1.502  -0.590
  108    HB2  CYS  14           1HB      CYS  14  -0.553   0.387   0.928
  109    HB3  CYS  14           2HB      CYS  14  -0.848   1.884   1.806
  110    HG   CYS  14           HG       CYS  14  -2.533   0.643  -0.669
  111    H    LYS  15           H        LYS  15   1.360   3.238  -1.805
  112    HA   LYS  15           HA       LYS  15   0.809   5.908  -0.754
  113    HB2  LYS  15           1HB      LYS  15   1.951   6.657  -2.871
  114    HB3  LYS  15           2HB      LYS  15   2.955   5.723  -1.771
  115    HG2  LYS  15           1HG      LYS  15   3.323   4.153  -3.297
  116    HG3  LYS  15           2HG      LYS  15   1.607   4.029  -3.691
  117    HD2  LYS  15           1HD      LYS  15   2.124   6.359  -4.876
  118    HD3  LYS  15           2HD      LYS  15   3.743   5.659  -4.954
  119    HE2  LYS  15           1HE      LYS  15   2.990   4.724  -6.855
  120    HE3  LYS  15           2HE      LYS  15   2.235   3.560  -5.768
  121    HZ1  LYS  15           3HZ      LYS  15   0.704   5.969  -6.286
  122    HZ2  LYS  15           1HZ      LYS  15   0.193   4.358  -6.191
  123    HZ3  LYS  15           2HZ      LYS  15   0.902   4.937  -7.613
  124    H    TYR  16           H        TYR  16  -1.515   5.603  -0.829
  125    HA   TYR  16           HA       TYR  16  -2.623   5.751  -3.554
  126    HB2  TYR  16           1HB      TYR  16  -4.656   4.838  -2.732
  127    HB3  TYR  16           2HB      TYR  16  -3.370   3.855  -2.042
  128    HD1  TYR  16           2HD      TYR  16  -2.593   4.487   0.351
  129    HD2  TYR  16           1HD      TYR  16  -6.283   5.757  -1.346
  130    HE1  TYR  16           2HE      TYR  16  -3.480   4.902   2.606
  131    HE2  TYR  16           1HE      TYR  16  -7.180   6.177   0.906
  132    HH   TYR  16           HH       TYR  16  -5.718   5.035   3.710
  133    H    LYS  17           H        LYS  17  -5.068   6.810  -3.084
  134    HA   LYS  17           HA       LYS  17  -4.548   9.407  -1.800
  135    HB2  LYS  17           1HB      LYS  17  -5.818  10.495  -3.633
  136    HB3  LYS  17           2HB      LYS  17  -4.325   9.747  -4.183
  137    HG2  LYS  17           1HG      LYS  17  -6.211   7.752  -4.494
  138    HG3  LYS  17           2HG      LYS  17  -7.062   9.224  -4.967
  139    HD2  LYS  17           1HD      LYS  17  -5.037   9.755  -6.406
  140    HD3  LYS  17           2HD      LYS  17  -4.516   8.095  -6.106
  141    HE2  LYS  17           1HE      LYS  17  -6.113   7.211  -7.441
  142    HE3  LYS  17           2HE      LYS  17  -7.306   8.432  -7.000
  143    HZ1  LYS  17           3HZ      LYS  17  -4.997   9.013  -8.763
  144    HZ2  LYS  17           1HZ      LYS  17  -6.378   9.958  -8.515
  145    HZ3  LYS  17           2HZ      LYS  17  -6.495   8.497  -9.357
  146    H    ASN  18           H        ASN  18  -6.050   9.988  -0.374
  147    HA   ASN  18           HA       ASN  18  -8.661   8.626  -0.476
  148    HB2  ASN  18           1HB      ASN  18  -8.706   8.475   1.836
  149    HB3  ASN  18           2HB      ASN  18  -6.990   8.254   1.509
  150   HD21  ASN  18          2HD2      ASN  18  -5.732  10.366   1.458
  151   HD22  ASN  18          1HD2      ASN  18  -6.085  11.490   2.722
  152    H    ASP  19           H        ASP  19 -10.423   9.902   0.660
  153    HA   ASP  19           HA       ASP  19 -11.703  11.776   0.896
  154    HB2  ASP  19           1HB      ASP  19  -9.477  12.678   1.884
  155    HB3  ASP  19           2HB      ASP  19  -9.321  13.521   0.346
  156    H    ALA  20           H        ALA  20  -9.238  12.833  -1.451
  157    HA   ALA  20           HA       ALA  20 -10.821  12.416  -3.740
  158    HB1  ALA  20           1HB      ALA  20 -11.830  14.423  -4.187
  159    HB2  ALA  20           2HB      ALA  20 -11.973  14.382  -2.429
  160    HB3  ALA  20           3HB      ALA  20 -10.701  15.339  -3.188
  161    H    GLY  21           H        GLY  21  -8.163  11.949  -3.065
  162    HA2  GLY  21           1HA      GLY  21  -6.405  12.043  -4.754
  163    HA3  GLY  21           2HA      GLY  21  -6.788  13.745  -4.962
  164    H    LYS  22           H        LYS  22  -6.862  12.720  -1.727
  165    HA   LYS  22           HA       LYS  22  -4.553  14.326  -1.103
  166    HB2  LYS  22           1HB      LYS  22  -6.880  13.501   0.257
  167    HB3  LYS  22           2HB      LYS  22  -5.528  12.807   1.141
  168    HG2  LYS  22           1HG      LYS  22  -4.511  15.142   1.096
  169    HG3  LYS  22           2HG      LYS  22  -6.107  15.696   0.582
  170    HD2  LYS  22           1HD      LYS  22  -6.822  15.657   2.686
  171    HD3  LYS  22           2HD      LYS  22  -6.411  13.946   2.816
  172    HE2  LYS  22           1HE      LYS  22  -3.962  15.018   3.050
  173    HE3  LYS  22           2HE      LYS  22  -4.923  16.337   3.714
  174    HZ1  LYS  22           3HZ      LYS  22  -4.068  14.263   5.146
  175    HZ2  LYS  22           1HZ      LYS  22  -5.592  13.688   4.687
  176    HZ3  LYS  22           2HZ      LYS  22  -5.458  15.149   5.528
  177    H    ASP  23           H        ASP  23  -2.563  13.550  -1.274
  178    HA   ASP  23           HA       ASP  23  -1.825  10.906  -1.614
  179    HB2  ASP  23           1HB      ASP  23   0.469  11.644  -0.985
  180    HB3  ASP  23           2HB      ASP  23  -0.305  12.707  -2.156
  181    H    THR  24           H        THR  24  -1.508   9.208  -0.316
  182    HA   THR  24           HA       THR  24  -1.247   9.630   2.572
  183    HB   THR  24           HB       THR  24  -3.271   7.760   1.323
  184    HG1  THR  24           1HG      THR  24  -3.551  10.088   2.948
  185   HG21  THR  24          3HG2      THR  24  -3.885   7.193   3.625
  186   HG22  THR  24          1HG2      THR  24  -2.574   8.207   4.229
  187   HG23  THR  24          2HG2      THR  24  -2.208   6.759   3.289
  188    H    PHE  25           H        PHE  25   0.220   8.328   3.488
  189    HA   PHE  25           HA       PHE  25   1.070   5.928   2.013
  190    HB2  PHE  25           1HB      PHE  25   2.893   7.863   3.457
  191    HB3  PHE  25           2HB      PHE  25   3.394   6.388   2.637
  192    HD1  PHE  25           2HD      PHE  25   1.918   9.735   2.103
  193    HD2  PHE  25           1HD      PHE  25   3.822   6.366   0.330
  194    HE1  PHE  25           2HE      PHE  25   2.198  10.999   0.011
  195    HE2  PHE  25           1HE      PHE  25   4.106   7.625  -1.764
  196    HZ   PHE  25           HZ       PHE  25   3.293   9.944  -1.927
  197    H    ILE  26           H        ILE  26   1.168   4.115   3.184
  198    HA   ILE  26           HA       ILE  26   1.595   4.209   6.051
  199    HB   ILE  26           HB       ILE  26  -0.809   4.484   5.958
  200   HG12  ILE  26          1HG1      ILE  26  -1.489   2.518   7.259
  201   HG13  ILE  26          2HG1      ILE  26  -0.077   1.638   6.683
  202   HG21  ILE  26          1HG2      ILE  26  -2.281   3.004   4.824
  203   HG22  ILE  26          2HG2      ILE  26  -1.040   3.484   3.666
  204   HG23  ILE  26          3HG2      ILE  26  -0.966   1.896   4.431
  205   HD11  ILE  26          3HD1      ILE  26   0.098   4.176   8.279
  206   HD12  ILE  26          1HD1      ILE  26   0.098   2.566   8.998
  207   HD13  ILE  26          2HD1      ILE  26   1.393   3.041   7.899
  208    H    LYS  27           H        LYS  27   2.912   2.604   6.580
  209    HA   LYS  27           HA       LYS  27   3.881   0.702   4.814
  210    HB2  LYS  27           1HB      LYS  27   4.936   1.414   6.978
  211    HB3  LYS  27           2HB      LYS  27   3.771   0.399   7.818
  212    HG2  LYS  27           1HG      LYS  27   4.803  -1.528   7.216
  213    HG3  LYS  27           2HG      LYS  27   5.369  -0.875   5.677
  214    HD2  LYS  27           1HD      LYS  27   6.883   0.619   7.182
  215    HD3  LYS  27           2HD      LYS  27   6.567  -0.614   8.405
  216    HE2  LYS  27           1HE      LYS  27   7.231  -1.880   5.928
  217    HE3  LYS  27           2HE      LYS  27   8.458  -0.674   6.312
  218    HZ1  LYS  27           3HZ      LYS  27   9.181  -1.845   8.069
  219    HZ2  LYS  27           1HZ      LYS  27   8.460  -3.157   7.280
  220    HZ3  LYS  27           2HZ      LYS  27   7.634  -2.359   8.521
  221    H    CYS  28           H        CYS  28   3.313  -1.323   4.228
  222    HA   CYS  28           HA       CYS  28   0.697  -2.270   5.114
  223    HB2  CYS  28           1HB      CYS  28   2.415  -3.434   2.923
  224    HB3  CYS  28           2HB      CYS  28   0.689  -3.664   3.172
  225    HG   CYS  28           HG       CYS  28   0.299  -1.999   1.226
  226    HA   PRO  29           HA       PRO  29   2.227  -5.517   7.638
  227    HB2  PRO  29           1HB      PRO  29   0.322  -7.413   7.252
  228    HB3  PRO  29           2HB      PRO  29   0.040  -5.947   8.197
  229    HG2  PRO  29           1HG      PRO  29  -0.705  -6.546   5.361
  230    HG3  PRO  29           2HG      PRO  29  -1.661  -5.750   6.624
  231    HD2  PRO  29           1HD      PRO  29  -0.373  -4.369   4.684
  232    HD3  PRO  29           2HD      PRO  29  -0.606  -3.723   6.322
  233    H    LYS  30           H        LYS  30   4.098  -5.806   6.160
  234    HA   LYS  30           HA       LYS  30   4.106  -8.520   5.113
  235    HB2  LYS  30           1HB      LYS  30   4.818  -6.106   3.443
  236    HB3  LYS  30           2HB      LYS  30   5.256  -7.754   3.013
  237    HG2  LYS  30           1HG      LYS  30   2.431  -6.793   3.413
  238    HG3  LYS  30           2HG      LYS  30   3.240  -6.917   1.849
  239    HD2  LYS  30           1HD      LYS  30   3.684  -9.396   2.855
  240    HD3  LYS  30           2HD      LYS  30   2.117  -9.020   3.576
  241    HE2  LYS  30           1HE      LYS  30   2.665  -8.643   0.645
  242    HE3  LYS  30           2HE      LYS  30   2.115 -10.182   1.305
  243    HZ1  LYS  30           3HZ      LYS  30   0.346  -8.627   0.437
  244    HZ2  LYS  30           1HZ      LYS  30   0.658  -7.649   1.782
  245    HZ3  LYS  30           2HZ      LYS  30   0.102  -9.231   1.998
  246    H    PHE  31           H        PHE  31   5.323  -8.310   7.285
  247    HA   PHE  31           HA       PHE  31   8.103  -7.478   6.823
  248    HB2  PHE  31           1HB      PHE  31   8.238  -7.812   9.378
  249    HB3  PHE  31           2HB      PHE  31   7.345  -6.420   8.775
  250    HD1  PHE  31           2HD      PHE  31   4.919  -6.341   8.914
  251    HD2  PHE  31           1HD      PHE  31   7.119  -9.638  10.467
  252    HE1  PHE  31           2HE      PHE  31   2.937  -7.063  10.181
  253    HE2  PHE  31           1HE      PHE  31   5.141 -10.365  11.735
  254    HZ   PHE  31           HZ       PHE  31   3.046  -9.076  11.595
  255    H    ASP  32           H        ASP  32   9.450  -9.035   6.241
  256    HA   ASP  32           HA       ASP  32  10.414 -11.080   5.973
  257    HB2  ASP  32           1HB      ASP  32   9.408 -11.757   8.729
  258    HB3  ASP  32           2HB      ASP  32  10.895 -12.284   7.947
  259    H    ASN  33           H        ASN  33   8.466 -11.329   4.461
  260    HA   ASN  33           HA       ASN  33   7.560 -13.966   4.560
  261    HB2  ASN  33           1HB      ASN  33   6.101 -12.474   6.329
  262    HB3  ASN  33           2HB      ASN  33   5.114 -12.358   4.874
  263   HD21  ASN  33          2HD2      ASN  33   6.747 -14.664   6.987
  264   HD22  ASN  33          1HD2      ASN  33   5.623 -15.954   6.743
  265    H    LYS  34           H        LYS  34   7.004 -10.690   3.434
  266    HA   LYS  34           HA       LYS  34   7.158 -11.394   0.717
  267    HB2  LYS  34           1HB      LYS  34   4.787 -12.213   1.538
  268    HB3  LYS  34           2HB      LYS  34   4.372 -10.513   1.353
  269    HG2  LYS  34           1HG      LYS  34   3.959 -10.961  -0.778
  270    HG3  LYS  34           2HG      LYS  34   5.702 -11.140  -0.994
  271    HD2  LYS  34           1HD      LYS  34   5.291 -13.570  -0.168
  272    HD3  LYS  34           2HD      LYS  34   3.611 -13.249  -0.606
  273    HE2  LYS  34           1HE      LYS  34   4.045 -13.407  -2.794
  274    HE3  LYS  34           2HE      LYS  34   5.503 -12.425  -2.662
  275    HZ1  LYS  34           3HZ      LYS  34   5.366 -15.287  -1.893
  276    HZ2  LYS  34           1HZ      LYS  34   6.752 -14.325  -2.008
  277    HZ3  LYS  34           2HZ      LYS  34   5.895 -14.742  -3.405
  278    H    LYS  35           H        LYS  35   8.583  -9.551   1.761
  279    HA   LYS  35           HA       LYS  35   7.337  -6.959   1.848
  280    HB2  LYS  35           1HB      LYS  35   9.834  -8.094   2.634
  281    HB3  LYS  35           2HB      LYS  35  10.163  -6.736   1.565
  282    HG2  LYS  35           1HG      LYS  35   8.267  -5.682   3.204
  283    HG3  LYS  35           2HG      LYS  35   9.118  -6.776   4.298
  284    HD2  LYS  35           1HD      LYS  35  11.235  -5.652   3.147
  285    HD3  LYS  35           2HD      LYS  35  10.085  -4.335   2.909
  286    HE2  LYS  35           1HE      LYS  35   9.555  -4.565   5.389
  287    HE3  LYS  35           2HE      LYS  35  10.995  -5.577   5.492
  288    HZ1  LYS  35           3HZ      LYS  35  10.804  -2.704   4.848
  289    HZ2  LYS  35           1HZ      LYS  35  12.154  -3.606   4.372
  290    HZ3  LYS  35           2HZ      LYS  35  11.763  -3.470   6.012
  291    H    CYS  36           H        CYS  36   7.657  -5.247   0.392
  292    HA   CYS  36           HA       CYS  36   7.425  -5.809  -2.297
  293    HB2  CYS  36           1HB      CYS  36   7.697  -3.471  -2.706
  294    HB3  CYS  36           2HB      CYS  36   6.890  -3.630  -1.151
  295    HG   CYS  36           HG       CYS  36   8.561  -1.568  -0.696
  296    H    THR  37           H        THR  37   8.843  -5.505  -4.091
  297    HA   THR  37           HA       THR  37  11.693  -5.329  -3.608
  298    HB   THR  37           HB       THR  37  12.056  -7.478  -4.979
  299    HG1  THR  37           1HG      THR  37  10.378  -8.757  -5.272
  300   HG21  THR  37          3HG2      THR  37  10.937  -7.971  -2.235
  301   HG22  THR  37          1HG2      THR  37  12.445  -7.089  -2.471
  302   HG23  THR  37          2HG2      THR  37  12.301  -8.757  -3.027
  303    H    LYS  38           H        LYS  38   9.912  -3.660  -5.001
  304    HA   LYS  38           HA       LYS  38  11.279  -3.245  -7.396
  305    HB2  LYS  38           1HB      LYS  38   9.140  -5.195  -7.574
  306    HB3  LYS  38           2HB      LYS  38   8.826  -3.812  -8.615
  307    HG2  LYS  38           1HG      LYS  38  11.568  -4.774  -8.795
  308    HG3  LYS  38           2HG      LYS  38  10.370  -5.988  -9.246
  309    HD2  LYS  38           1HD      LYS  38  10.059  -3.232 -10.324
  310    HD3  LYS  38           2HD      LYS  38  11.326  -4.256 -11.004
  311    HE2  LYS  38           1HE      LYS  38   9.700  -5.014 -12.351
  312    HE3  LYS  38           2HE      LYS  38   9.209  -5.968 -10.951
  313    HZ1  LYS  38           3HZ      LYS  38   7.282  -4.890 -11.678
  314    HZ2  LYS  38           1HZ      LYS  38   8.072  -3.412 -11.912
  315    HZ3  LYS  38           2HZ      LYS  38   7.788  -3.980 -10.344
  316    H    ASP  39           H        ASP  39  10.474  -1.430  -8.596
  317    HA   ASP  39           HA       ASP  39   9.146   0.479  -6.943
  318    HB2  ASP  39           1HB      ASP  39   9.283   1.901  -9.068
  319    HB3  ASP  39           2HB      ASP  39  10.806   1.363  -8.367
  320    H    ASN  40           H        ASN  40   7.029   0.548  -6.628
  321    HA   ASN  40           HA       ASN  40   4.783   0.483  -6.977
  322    HB2  ASN  40           1HB      ASN  40   5.895   1.267  -9.601
  323    HB3  ASN  40           2HB      ASN  40   4.253   0.631  -9.634
  324   HD21  ASN  40          2HD2      ASN  40   6.176   2.807  -7.587
  325   HD22  ASN  40          1HD2      ASN  40   4.975   4.044  -7.484
  326    H    ASN  41           H        ASN  41   5.052  -1.789  -6.266
  327    HA   ASN  41           HA       ASN  41   4.910  -3.831  -8.313
  328    HB2  ASN  41           1HB      ASN  41   5.365  -3.737  -5.423
  329    HB3  ASN  41           2HB      ASN  41   4.333  -5.076  -5.917
  330   HD21  ASN  41          2HD2      ASN  41   6.389  -6.078  -4.940
  331   HD22  ASN  41          1HD2      ASN  41   7.613  -6.514  -6.080
  332    H    LYS  42           H        LYS  42   2.882  -3.569  -5.420
  333    HA   LYS  42           HA       LYS  42   0.456  -3.005  -6.691
  334    HB2  LYS  42           1HB      LYS  42   0.610  -5.090  -7.836
  335    HB3  LYS  42           2HB      LYS  42   1.084  -5.938  -6.370
  336    HG2  LYS  42           1HG      LYS  42  -1.065  -5.936  -5.516
  337    HG3  LYS  42           2HG      LYS  42  -1.575  -4.583  -6.529
  338    HD2  LYS  42           1HD      LYS  42  -1.394  -6.049  -8.513
  339    HD3  LYS  42           2HD      LYS  42  -0.985  -7.397  -7.448
  340    HE2  LYS  42           1HE      LYS  42  -3.141  -7.789  -7.091
  341    HE3  LYS  42           2HE      LYS  42  -3.351  -6.154  -6.468
  342    HZ1  LYS  42           3HZ      LYS  42  -4.768  -6.811  -8.434
  343    HZ2  LYS  42           1HZ      LYS  42  -3.358  -6.743  -9.367
  344    HZ3  LYS  42           2HZ      LYS  42  -3.919  -5.355  -8.580
  345    H    CYS  43           H        CYS  43  -1.203  -2.763  -5.226
  346    HA   CYS  43           HA       CYS  43  -1.178  -3.966  -2.639
  347    HB2  CYS  43           1HB      CYS  43  -0.733  -2.047  -1.280
  348    HB3  CYS  43           2HB      CYS  43   0.598  -2.196  -2.420
  349    HG   CYS  43           HG       CYS  43   0.256   0.471  -2.330
  350    H    THR  44           H        THR  44  -3.013  -3.302  -1.326
  351    HA   THR  44           HA       THR  44  -5.044  -1.699  -2.676
  352    HB   THR  44           HB       THR  44  -6.556  -3.819  -1.750
  353    HG1  THR  44           1HG      THR  44  -4.322  -4.872  -3.175
  354   HG21  THR  44          3HG2      THR  44  -7.214  -2.842  -3.744
  355   HG22  THR  44          1HG2      THR  44  -6.594  -4.398  -4.294
  356   HG23  THR  44          2HG2      THR  44  -5.602  -2.947  -4.449
  357    H    VAL  45           H        VAL  45  -6.869  -1.169  -1.280
  358    HA   VAL  45           HA       VAL  45  -6.554  -1.687   1.563
  359    HB   VAL  45           HB       VAL  45  -6.479   1.125   0.461
  360   HG11  VAL  45          1HG1      VAL  45  -6.694   0.096   3.283
  361   HG12  VAL  45          2HG1      VAL  45  -6.238   1.752   2.876
  362   HG13  VAL  45          3HG1      VAL  45  -7.829   1.137   2.424
  363   HG21  VAL  45          3HG2      VAL  45  -4.320   0.063   0.300
  364   HG22  VAL  45          1HG2      VAL  45  -4.293   1.226   1.625
  365   HG23  VAL  45          2HG2      VAL  45  -4.430  -0.498   1.969
  366    H    ASP  46           H        ASP  46  -8.442  -1.485   2.716
  367    HA   ASP  46           HA       ASP  46 -10.817  -0.601   1.216
  368    HB2  ASP  46           1HB      ASP  46 -10.308  -3.155   2.646
  369    HB3  ASP  46           2HB      ASP  46 -11.915  -2.453   2.810
  370    H    THR  47           H        THR  47 -12.384   0.498   2.355
  371    HA   THR  47           HA       THR  47 -11.508   1.797   4.758
  372    HB   THR  47           HB       THR  47 -13.577   3.067   4.635
  373    HG1  THR  47           1HG      THR  47 -15.144   1.719   3.969
  374   HG21  THR  47          3HG2      THR  47 -11.666   2.871   2.510
  375   HG22  THR  47          1HG2      THR  47 -12.519   4.295   3.105
  376   HG23  THR  47          2HG2      THR  47 -13.243   3.296   1.844
  377    H    TYR  48           H        TYR  48 -13.093  -1.093   4.136
  378    HA   TYR  48           HA       TYR  48 -15.063  -1.309   6.052
  379    HB2  TYR  48           1HB      TYR  48 -14.707  -3.088   4.474
  380    HB3  TYR  48           2HB      TYR  48 -13.083  -3.380   5.089
  381    HD1  TYR  48           2HD      TYR  48 -16.653  -3.429   6.171
  382    HD2  TYR  48           1HD      TYR  48 -12.747  -5.036   6.682
  383    HE1  TYR  48           2HE      TYR  48 -17.553  -5.103   7.732
  384    HE2  TYR  48           1HE      TYR  48 -13.636  -6.715   8.244
  385    HH   TYR  48           HH       TYR  48 -17.058  -7.153   8.719
  386    H    ASN  49           H        ASN  49 -11.649  -2.265   6.472
  387    HA   ASN  49           HA       ASN  49 -11.718  -1.330   9.219
  388    HB2  ASN  49           1HB      ASN  49 -10.985  -3.446  10.176
  389    HB3  ASN  49           2HB      ASN  49 -12.531  -3.665   9.361
  390   HD21  ASN  49          2HD2      ASN  49 -11.215  -5.880   9.844
  391   HD22  ASN  49          1HD2      ASN  49 -10.471  -6.518   8.422
  392    H    ASN  50           H        ASN  50 -10.329  -0.388   6.964
  393    HA   ASN  50           HA       ASN  50  -8.253   0.176   6.210
  394    HB2  ASN  50           1HB      ASN  50  -8.340   0.696   8.858
  395    HB3  ASN  50           2HB      ASN  50  -6.983  -0.426   8.819
  396   HD21  ASN  50          2HD2      ASN  50  -5.847   0.195   6.400
  397   HD22  ASN  50          1HD2      ASN  50  -5.226   1.806   6.453
  398    H    ALA  51           H        ALA  51  -8.858  -2.397   5.546
  399    HA   ALA  51           HA       ALA  51  -6.735  -4.186   6.319
  400    HB1  ALA  51           1HB      ALA  51  -8.534  -5.478   5.865
  401    HB2  ALA  51           2HB      ALA  51  -9.174  -4.356   4.664
  402    HB3  ALA  51           3HB      ALA  51  -7.855  -5.445   4.237
  403    H    VAL  52           H        VAL  52  -4.885  -2.974   5.675
  404    HA   VAL  52           HA       VAL  52  -4.513  -2.339   2.878
  405    HB   VAL  52           HB       VAL  52  -2.475  -2.227   5.104
  406   HG11  VAL  52          1HG1      VAL  52  -1.715  -2.203   2.679
  407   HG12  VAL  52          2HG1      VAL  52  -2.522  -0.638   2.553
  408   HG13  VAL  52          3HG1      VAL  52  -1.189  -0.856   3.688
  409   HG21  VAL  52          3HG2      VAL  52  -4.682  -0.397   4.346
  410   HG22  VAL  52          1HG2      VAL  52  -3.963  -0.715   5.925
  411   HG23  VAL  52          2HG2      VAL  52  -3.133   0.331   4.773
  412    H    ASP  53           H        ASP  53  -3.754  -3.698   1.406
  413    HA   ASP  53           HA       ASP  53  -2.294  -6.088   2.318
  414    HB2  ASP  53           1HB      ASP  53  -3.883  -5.675  -0.224
  415    HB3  ASP  53           2HB      ASP  53  -3.039  -7.154   0.226
  416    H    CYS  54           H        CYS  54  -1.098  -6.961   0.095
  417    HA   CYS  54           HA       CYS  54   0.319  -4.832  -1.245
  418    HB2  CYS  54           1HB      CYS  54   1.375  -5.589   1.149
  419    HB3  CYS  54           2HB      CYS  54   2.198  -6.695   0.057
  420    HG   CYS  54           HG       CYS  54   2.238  -3.580  -1.093
  421    H    ASP  55           H        ASP  55   2.253  -5.948  -2.529
  422    HA   ASP  55           HA       ASP  55   0.985  -7.927  -4.184
  423    HB2  ASP  55           1HB      ASP  55   2.513  -6.009  -4.954
  424    HB3  ASP  55           2HB      ASP  55   3.849  -7.026  -4.422
  Start of MODEL    4
    1    H1   ALA   1           H        ALA   1 -14.164  -0.577   2.164
    2    HA   ALA   1           HA       ALA   1 -15.109  -0.528  -0.616
    3    HB1  ALA   1           1HB      ALA   1 -13.514   1.810   0.138
    4    HB2  ALA   1           2HB      ALA   1 -14.966   1.696  -0.858
    5    HB3  ALA   1           3HB      ALA   1 -15.104   1.735   0.900
    6    H    LYS   2           H        LYS   2 -12.982   0.637  -1.832
    7    HA   LYS   2           HA       LYS   2 -10.594  -0.807  -0.945
    8    HB2  LYS   2           1HB      LYS   2 -11.932  -1.081  -3.631
    9    HB3  LYS   2           2HB      LYS   2 -10.231  -1.461  -3.394
   10    HG2  LYS   2           1HG      LYS   2 -11.047  -3.528  -3.040
   11    HG3  LYS   2           2HG      LYS   2 -11.286  -2.909  -1.403
   12    HD2  LYS   2           1HD      LYS   2 -13.510  -3.036  -1.581
   13    HD3  LYS   2           2HD      LYS   2 -13.503  -2.261  -3.167
   14    HE2  LYS   2           1HE      LYS   2 -12.752  -4.481  -4.107
   15    HE3  LYS   2           2HE      LYS   2 -13.099  -5.176  -2.526
   16    HZ1  LYS   2           3HZ      LYS   2 -14.875  -4.850  -4.579
   17    HZ2  LYS   2           1HZ      LYS   2 -15.274  -3.608  -3.501
   18    HZ3  LYS   2           2HZ      LYS   2 -15.260  -5.215  -2.973
   19    H    TYR   3           H        TYR   3  -8.625  -0.097  -2.087
   20    HA   TYR   3           HA       TYR   3  -8.826   2.522  -3.370
   21    HB2  TYR   3           1HB      TYR   3  -7.433   1.943  -0.778
   22    HB3  TYR   3           2HB      TYR   3  -6.798   3.183  -1.853
   23    HD1  TYR   3           2HD      TYR   3  -9.671   2.205   0.236
   24    HD2  TYR   3           1HD      TYR   3  -7.908   5.290  -2.106
   25    HE1  TYR   3           2HE      TYR   3 -11.286   3.817   1.154
   26    HE2  TYR   3           1HE      TYR   3  -9.517   6.910  -1.193
   27    HH   TYR   3           HH       TYR   3 -11.382   7.169   0.023
   28    H    THR   4           H        THR   4  -7.350   2.836  -4.942
   29    HA   THR   4           HA       THR   4  -5.529   0.630  -5.516
   30    HB   THR   4           HB       THR   4  -6.086   3.036  -7.253
   31    HG1  THR   4           1HG      THR   4  -7.874   2.081  -7.901
   32   HG21  THR   4          3HG2      THR   4  -5.089   0.270  -7.943
   33   HG22  THR   4          1HG2      THR   4  -4.068   1.699  -7.781
   34   HG23  THR   4          2HG2      THR   4  -5.287   1.625  -9.054
   35    H    GLY   5           H        GLY   5  -3.421   0.726  -5.103
   36    HA2  GLY   5           1HA      GLY   5  -1.978   3.231  -5.285
   37    HA3  GLY   5           2HA      GLY   5  -2.078   2.562  -3.662
   38    H    LYS   6           H        LYS   6   0.294   3.001  -5.252
   39    HA   LYS   6           HA       LYS   6   1.208   0.216  -5.563
   40    HB2  LYS   6           1HB      LYS   6   2.588   2.537  -6.867
   41    HB3  LYS   6           2HB      LYS   6   2.618   0.838  -7.318
   42    HG2  LYS   6           1HG      LYS   6   1.259   1.608  -8.954
   43    HG3  LYS   6           2HG      LYS   6   0.035   1.295  -7.721
   44    HD2  LYS   6           1HD      LYS   6  -0.585   3.423  -7.983
   45    HD3  LYS   6           2HD      LYS   6   0.908   3.855  -7.146
   46    HE2  LYS   6           1HE      LYS   6   1.466   4.976  -8.991
   47    HE3  LYS   6           2HE      LYS   6   1.721   3.405  -9.749
   48    HZ1  LYS   6           3HZ      LYS   6   0.197   4.120 -11.198
   49    HZ2  LYS   6           1HZ      LYS   6  -0.384   5.331 -10.168
   50    HZ3  LYS   6           2HZ      LYS   6  -0.936   3.740 -10.001
   51    H    CYS   7           H        CYS   7   3.662   0.043  -5.268
   52    HA   CYS   7           HA       CYS   7   4.628   1.842  -3.163
   53    HB2  CYS   7           1HB      CYS   7   4.700  -1.179  -2.998
   54    HB3  CYS   7           2HB      CYS   7   5.420  -0.070  -1.837
   55    HG   CYS   7           HG       CYS   7   2.742   1.089  -1.385
   56    H    THR   8           H        THR   8   6.938   1.797  -2.863
   57    HA   THR   8           HA       THR   8   8.338   1.033  -5.331
   58    HB   THR   8           HB       THR   8   8.556   3.374  -4.933
   59    HG1  THR   8           1HG      THR   8  10.683   3.398  -5.168
   60   HG21  THR   8          3HG2      THR   8   9.762   4.045  -2.709
   61   HG22  THR   8          1HG2      THR   8   9.085   2.530  -2.113
   62   HG23  THR   8          2HG2      THR   8   8.016   3.793  -2.725
   63    H    LYS   9           H        LYS   9  10.269  -0.104  -5.272
   64    HA   LYS   9           HA       LYS   9  10.552  -2.081  -3.325
   65    HB2  LYS   9           1HB      LYS   9  12.857  -2.394  -4.349
   66    HB3  LYS   9           2HB      LYS   9  11.493  -2.502  -5.454
   67    HG2  LYS   9           1HG      LYS   9  12.141  -0.709  -6.630
   68    HG3  LYS   9           2HG      LYS   9  12.635   0.184  -5.190
   69    HD2  LYS   9           1HD      LYS   9  14.672  -0.154  -6.185
   70    HD3  LYS   9           2HD      LYS   9  14.580  -1.590  -5.162
   71    HE2  LYS   9           1HE      LYS   9  14.596  -2.944  -6.930
   72    HE3  LYS   9           2HE      LYS   9  13.311  -2.033  -7.721
   73    HZ1  LYS   9           3HZ      LYS   9  15.171  -0.381  -8.271
   74    HZ2  LYS   9           1HZ      LYS   9  15.097  -1.820  -9.156
   75    HZ3  LYS   9           2HZ      LYS   9  16.229  -1.650  -7.911
   76    H    SER  10           H        SER  10  11.737   1.167  -3.426
   77    HA   SER  10           HA       SER  10  13.597   0.685  -1.224
   78    HB2  SER  10           1HB      SER  10  14.039   3.210  -1.580
   79    HB3  SER  10           2HB      SER  10  14.590   2.088  -2.823
   80    HG   SER  10           HG       SER  10  13.388   4.017  -3.542
   81    H    LYS  11           H        LYS  11  10.525   0.740  -1.159
   82    HA   LYS  11           HA       LYS  11  10.224   1.723   1.436
   83    HB2  LYS  11           1HB      LYS  11  10.140   3.771  -0.546
   84    HB3  LYS  11           2HB      LYS  11   8.515   3.572   0.097
   85    HG2  LYS  11           1HG      LYS  11  11.009   4.111   1.697
   86    HG3  LYS  11           2HG      LYS  11   9.725   5.266   1.332
   87    HD2  LYS  11           1HD      LYS  11   8.716   4.625   3.211
   88    HD3  LYS  11           2HD      LYS  11   8.437   3.053   2.457
   89    HE2  LYS  11           1HE      LYS  11  10.865   2.549   3.242
   90    HE3  LYS  11           2HE      LYS  11  10.598   3.897   4.345
   91    HZ1  LYS  11           3HZ      LYS  11   8.555   2.708   5.094
   92    HZ2  LYS  11           1HZ      LYS  11  10.001   1.916   5.473
   93    HZ3  LYS  11           2HZ      LYS  11   9.052   1.371   4.184
   94    H    ASN  12           H        ASN  12   8.908   0.086   1.963
   95    HA   ASN  12           HA       ASN  12   6.748  -0.721   0.207
   96    HB2  ASN  12           1HB      ASN  12   8.005  -2.465   1.335
   97    HB3  ASN  12           2HB      ASN  12   7.636  -1.759   2.906
   98   HD21  ASN  12          2HD2      ASN  12   6.216  -2.933   3.952
   99   HD22  ASN  12          1HD2      ASN  12   4.840  -3.723   3.269
  100    H    GLU  13           H        GLU  13   5.655   1.385   0.373
  101    HA   GLU  13           HA       GLU  13   3.776   1.363   2.618
  102    HB2  GLU  13           1HB      GLU  13   3.940   3.804   2.863
  103    HB3  GLU  13           2HB      GLU  13   5.463   3.007   3.233
  104    HG2  GLU  13           1HG      GLU  13   6.087   3.525   0.796
  105    HG3  GLU  13           2HG      GLU  13   4.738   4.659   0.846
  106    H    CYS  14           H        CYS  14   1.715   1.842   2.065
  107    HA   CYS  14           HA       CYS  14   1.069   1.959  -0.724
  108    HB2  CYS  14           1HB      CYS  14  -0.234   0.814   1.223
  109    HB3  CYS  14           2HB      CYS  14  -0.929   2.411   1.470
  110    HG   CYS  14           HG       CYS  14  -1.254   1.947  -1.674
  111    H    LYS  15           H        LYS  15   1.452   3.816  -1.766
  112    HA   LYS  15           HA       LYS  15   0.940   6.371  -0.471
  113    HB2  LYS  15           1HB      LYS  15   1.883   7.319  -2.586
  114    HB3  LYS  15           2HB      LYS  15   2.978   6.244  -1.728
  115    HG2  LYS  15           1HG      LYS  15   3.150   4.900  -3.481
  116    HG3  LYS  15           2HG      LYS  15   1.396   4.780  -3.639
  117    HD2  LYS  15           1HD      LYS  15   1.321   6.312  -5.284
  118    HD3  LYS  15           2HD      LYS  15   2.516   7.349  -4.503
  119    HE2  LYS  15           1HE      LYS  15   3.244   4.778  -5.886
  120    HE3  LYS  15           2HE      LYS  15   3.178   6.326  -6.728
  121    HZ1  LYS  15           3HZ      LYS  15   4.697   6.964  -4.642
  122    HZ2  LYS  15           1HZ      LYS  15   5.325   6.408  -6.112
  123    HZ3  LYS  15           2HZ      LYS  15   5.127   5.337  -4.818
  124    H    TYR  16           H        TYR  16  -1.416   5.162  -0.638
  125    HA   TYR  16           HA       TYR  16  -2.767   5.841  -3.109
  126    HB2  TYR  16           1HB      TYR  16  -4.676   4.762  -2.193
  127    HB3  TYR  16           2HB      TYR  16  -3.290   3.793  -1.707
  128    HD1  TYR  16           2HD      TYR  16  -2.475   3.897   0.638
  129    HD2  TYR  16           1HD      TYR  16  -6.056   5.846  -0.579
  130    HE1  TYR  16           2HE      TYR  16  -3.169   4.079   2.991
  131    HE2  TYR  16           1HE      TYR  16  -6.759   6.035   1.771
  132    HH   TYR  16           HH       TYR  16  -6.092   5.830   3.915
  133    H    LYS  17           H        LYS  17  -5.080   6.880  -2.650
  134    HA   LYS  17           HA       LYS  17  -4.664   9.282  -0.998
  135    HB2  LYS  17           1HB      LYS  17  -5.880  10.583  -2.715
  136    HB3  LYS  17           2HB      LYS  17  -4.371   9.910  -3.320
  137    HG2  LYS  17           1HG      LYS  17  -5.842   7.979  -4.189
  138    HG3  LYS  17           2HG      LYS  17  -7.181   9.105  -3.950
  139    HD2  LYS  17           1HD      LYS  17  -6.653   9.624  -6.107
  140    HD3  LYS  17           2HD      LYS  17  -5.552  10.727  -5.278
  141    HE2  LYS  17           1HE      LYS  17  -4.191   9.707  -6.861
  142    HE3  LYS  17           2HE      LYS  17  -3.867   8.780  -5.396
  143    HZ1  LYS  17           3HZ      LYS  17  -5.612   7.188  -6.226
  144    HZ2  LYS  17           1HZ      LYS  17  -4.169   7.221  -7.108
  145    HZ3  LYS  17           2HZ      LYS  17  -5.544   8.000  -7.708
  146    H    ASN  18           H        ASN  18  -6.322   9.879   0.287
  147    HA   ASN  18           HA       ASN  18  -8.850   8.388   0.009
  148    HB2  ASN  18           1HB      ASN  18  -8.981   8.050   2.291
  149    HB3  ASN  18           2HB      ASN  18  -7.239   7.956   2.046
  150   HD21  ASN  18          2HD2      ASN  18  -6.163  10.204   2.149
  151   HD22  ASN  18          1HD2      ASN  18  -6.632  11.181   3.493
  152    H    ASP  19           H        ASP  19 -10.619   9.570   1.407
  153    HA   ASP  19           HA       ASP  19 -11.939  11.400   1.748
  154    HB2  ASP  19           1HB      ASP  19  -9.678  12.371   2.574
  155    HB3  ASP  19           2HB      ASP  19  -9.659  13.221   1.032
  156    H    ALA  20           H        ALA  20  -9.692  12.547  -0.770
  157    HA   ALA  20           HA       ALA  20 -11.396  12.074  -2.949
  158    HB1  ALA  20           1HB      ALA  20 -12.495  14.026  -1.476
  159    HB2  ALA  20           2HB      ALA  20 -11.433  14.993  -2.500
  160    HB3  ALA  20           3HB      ALA  20 -12.644  13.939  -3.232
  161    H    GLY  21           H        GLY  21  -8.653  11.821  -2.389
  162    HA2  GLY  21           1HA      GLY  21  -7.015  12.025  -4.196
  163    HA3  GLY  21           2HA      GLY  21  -7.534  13.693  -4.380
  164    H    LYS  22           H        LYS  22  -7.337  12.674  -1.148
  165    HA   LYS  22           HA       LYS  22  -5.097  14.432  -0.678
  166    HB2  LYS  22           1HB      LYS  22  -6.951  12.863   1.092
  167    HB3  LYS  22           2HB      LYS  22  -5.505  13.621   1.748
  168    HG2  LYS  22           1HG      LYS  22  -7.205  15.364   0.100
  169    HG3  LYS  22           2HG      LYS  22  -7.917  14.812   1.618
  170    HD2  LYS  22           1HD      LYS  22  -6.072  15.704   2.872
  171    HD3  LYS  22           2HD      LYS  22  -5.197  16.095   1.390
  172    HE2  LYS  22           1HE      LYS  22  -7.689  17.344   1.148
  173    HE3  LYS  22           2HE      LYS  22  -7.178  17.629   2.812
  174    HZ1  LYS  22           3HZ      LYS  22  -6.419  19.141   0.763
  175    HZ2  LYS  22           1HZ      LYS  22  -5.145  18.027   0.777
  176    HZ3  LYS  22           2HZ      LYS  22  -5.487  18.939   2.160
  177    H    ASP  23           H        ASP  23  -3.067  13.776  -0.855
  178    HA   ASP  23           HA       ASP  23  -2.186  11.191  -1.249
  179    HB2  ASP  23           1HB      ASP  23  -0.928  13.762  -0.554
  180    HB3  ASP  23           2HB      ASP  23   0.001  12.341  -0.086
  181    H    THR  24           H        THR  24  -1.891   9.471   0.008
  182    HA   THR  24           HA       THR  24  -1.580   9.844   2.902
  183    HB   THR  24           HB       THR  24  -3.517   7.908   1.620
  184    HG1  THR  24           1HG      THR  24  -4.034  10.022   3.456
  185   HG21  THR  24          3HG2      THR  24  -2.822   8.315   4.532
  186   HG22  THR  24          1HG2      THR  24  -2.391   6.912   3.555
  187   HG23  THR  24          2HG2      THR  24  -4.085   7.253   3.912
  188    H    PHE  25           H        PHE  25  -0.075   8.564   3.803
  189    HA   PHE  25           HA       PHE  25   0.908   6.270   2.244
  190    HB2  PHE  25           1HB      PHE  25   2.605   8.251   3.778
  191    HB3  PHE  25           2HB      PHE  25   3.201   6.817   2.948
  192    HD1  PHE  25           2HD      PHE  25   1.534  10.078   2.416
  193    HD2  PHE  25           1HD      PHE  25   3.718   6.871   0.667
  194    HE1  PHE  25           2HE      PHE  25   1.799  11.389   0.352
  195    HE2  PHE  25           1HE      PHE  25   3.988   8.177  -1.400
  196    HZ   PHE  25           HZ       PHE  25   3.027  10.439  -1.561
  197    H    ILE  26           H        ILE  26   1.780   4.534   3.452
  198    HA   ILE  26           HA       ILE  26   1.963   4.498   6.266
  199    HB   ILE  26           HB       ILE  26  -0.449   4.654   6.257
  200   HG12  ILE  26          1HG1      ILE  26  -1.003   2.593   7.476
  201   HG13  ILE  26          2HG1      ILE  26   0.438   1.817   6.828
  202   HG21  ILE  26          1HG2      ILE  26  -1.886   3.157   5.096
  203   HG22  ILE  26          2HG2      ILE  26  -0.706   3.752   3.929
  204   HG23  ILE  26          3HG2      ILE  26  -0.533   2.135   4.611
  205   HD11  ILE  26          3HD1      ILE  26   1.669   2.629   8.472
  206   HD12  ILE  26          1HD1      ILE  26   1.147   4.275   8.116
  207   HD13  ILE  26          2HD1      ILE  26   0.195   3.262   9.204
  208    H    LYS  27           H        LYS  27   3.412   2.975   6.663
  209    HA   LYS  27           HA       LYS  27   4.276   1.106   4.755
  210    HB2  LYS  27           1HB      LYS  27   5.543   0.091   6.659
  211    HB3  LYS  27           2HB      LYS  27   5.784   1.824   6.475
  212    HG2  LYS  27           1HG      LYS  27   5.258   2.071   8.609
  213    HG3  LYS  27           2HG      LYS  27   3.619   1.534   8.230
  214    HD2  LYS  27           1HD      LYS  27   4.850  -0.847   8.370
  215    HD3  LYS  27           2HD      LYS  27   5.859   0.070   9.491
  216    HE2  LYS  27           1HE      LYS  27   3.422   0.837  10.328
  217    HE3  LYS  27           2HE      LYS  27   3.036  -0.772   9.719
  218    HZ1  LYS  27           3HZ      LYS  27   3.845  -1.600  11.590
  219    HZ2  LYS  27           1HZ      LYS  27   4.308  -0.064  12.127
  220    HZ3  LYS  27           2HZ      LYS  27   5.375  -0.995  11.202
  221    H    CYS  28           H        CYS  28   3.232  -0.628   4.054
  222    HA   CYS  28           HA       CYS  28   1.018  -1.773   5.415
  223    HB2  CYS  28           1HB      CYS  28   2.589  -3.041   3.169
  224    HB3  CYS  28           2HB      CYS  28   0.907  -3.331   3.599
  225    HG   CYS  28           HG       CYS  28   2.220  -1.001   1.626
  226    HA   PRO  29           HA       PRO  29   2.891  -4.753   8.034
  227    HB2  PRO  29           1HB      PRO  29   1.046  -6.744   7.962
  228    HB3  PRO  29           2HB      PRO  29   0.779  -5.217   8.811
  229    HG2  PRO  29           1HG      PRO  29  -0.172  -6.069   6.104
  230    HG3  PRO  29           2HG      PRO  29  -1.054  -5.211   7.381
  231    HD2  PRO  29           1HD      PRO  29   0.007  -3.942   5.237
  232    HD3  PRO  29           2HD      PRO  29  -0.117  -3.177   6.834
  233    H    LYS  30           H        LYS  30   4.628  -5.067   6.384
  234    HA   LYS  30           HA       LYS  30   4.642  -7.858   5.525
  235    HB2  LYS  30           1HB      LYS  30   5.335  -5.557   3.687
  236    HB3  LYS  30           2HB      LYS  30   5.572  -7.259   3.316
  237    HG2  LYS  30           1HG      LYS  30   2.891  -6.033   3.913
  238    HG3  LYS  30           2HG      LYS  30   3.547  -6.239   2.287
  239    HD2  LYS  30           1HD      LYS  30   3.238  -8.491   2.304
  240    HD3  LYS  30           2HD      LYS  30   3.537  -8.628   4.038
  241    HE2  LYS  30           1HE      LYS  30   1.242  -7.248   4.094
  242    HE3  LYS  30           2HE      LYS  30   1.020  -8.104   2.570
  243    HZ1  LYS  30           3HZ      LYS  30   0.165  -9.613   4.026
  244    HZ2  LYS  30           1HZ      LYS  30   1.196  -9.169   5.292
  245    HZ3  LYS  30           2HZ      LYS  30   1.776 -10.127   4.026
  246    H    PHE  31           H        PHE  31   5.988  -7.626   7.573
  247    HA   PHE  31           HA       PHE  31   8.698  -6.661   6.990
  248    HB2  PHE  31           1HB      PHE  31   8.958  -7.164   9.535
  249    HB3  PHE  31           2HB      PHE  31   8.068  -5.732   9.027
  250    HD1  PHE  31           1HD      PHE  31   5.665  -5.603   9.280
  251    HD2  PHE  31           2HD      PHE  31   7.828  -9.049  10.531
  252    HE1  PHE  31           1HE      PHE  31   3.710  -6.358  10.568
  253    HE2  PHE  31           2HE      PHE  31   5.876  -9.810  11.820
  254    HZ   PHE  31           HZ       PHE  31   3.814  -8.465  11.840
  255    H    ASP  32           H        ASP  32   9.987  -8.153   6.143
  256    HA   ASP  32           HA       ASP  32  10.994 -10.147   5.692
  257    HB2  ASP  32           1HB      ASP  32  10.475 -10.978   8.528
  258    HB3  ASP  32           2HB      ASP  32  11.902 -11.252   7.535
  259    H    ASN  33           H        ASN  33   8.916 -10.549   4.458
  260    HA   ASN  33           HA       ASN  33   8.145 -13.223   4.748
  261    HB2  ASN  33           1HB      ASN  33   6.851 -12.591   6.661
  262    HB3  ASN  33           2HB      ASN  33   6.168 -11.204   5.816
  263   HD21  ASN  33          2HD2      ASN  33   6.546 -14.651   5.056
  264   HD22  ASN  33          1HD2      ASN  33   4.885 -14.919   4.660
  265    H    LYS  34           H        LYS  34   6.930 -10.051   3.706
  266    HA   LYS  34           HA       LYS  34   6.896 -10.914   0.959
  267    HB2  LYS  34           1HB      LYS  34   4.375 -10.564   2.527
  268    HB3  LYS  34           2HB      LYS  34   4.399 -10.065   0.840
  269    HG2  LYS  34           1HG      LYS  34   3.900 -12.163   0.327
  270    HG3  LYS  34           2HG      LYS  34   5.544 -12.587   0.812
  271    HD2  LYS  34           1HD      LYS  34   4.873 -13.477   2.793
  272    HD3  LYS  34           2HD      LYS  34   3.533 -12.343   2.971
  273    HE2  LYS  34           1HE      LYS  34   3.004 -13.963   0.706
  274    HE3  LYS  34           2HE      LYS  34   3.489 -15.028   2.024
  275    HZ1  LYS  34           3HZ      LYS  34   1.722 -14.370   3.322
  276    HZ2  LYS  34           1HZ      LYS  34   1.025 -14.364   1.780
  277    HZ3  LYS  34           2HZ      LYS  34   1.501 -12.909   2.499
  278    H    LYS  35           H        LYS  35   8.504  -9.052   1.727
  279    HA   LYS  35           HA       LYS  35   7.335  -6.422   1.765
  280    HB2  LYS  35           1HB      LYS  35  10.244  -7.079   1.329
  281    HB3  LYS  35           2HB      LYS  35   9.555  -5.602   1.989
  282    HG2  LYS  35           1HG      LYS  35   9.881  -6.424   4.016
  283    HG3  LYS  35           2HG      LYS  35   8.676  -7.664   3.665
  284    HD2  LYS  35           1HD      LYS  35  10.341  -9.123   4.006
  285    HD3  LYS  35           2HD      LYS  35  10.905  -8.639   2.406
  286    HE2  LYS  35           1HE      LYS  35  12.374  -6.987   3.383
  287    HE3  LYS  35           2HE      LYS  35  11.744  -7.335   4.993
  288    HZ1  LYS  35           3HZ      LYS  35  13.209  -8.963   5.206
  289    HZ2  LYS  35           1HZ      LYS  35  13.879  -8.557   3.707
  290    HZ3  LYS  35           2HZ      LYS  35  12.655  -9.719   3.799
  291    H    CYS  36           H        CYS  36   7.683  -4.786   0.180
  292    HA   CYS  36           HA       CYS  36   7.069  -5.483  -2.419
  293    HB2  CYS  36           1HB      CYS  36   6.721  -3.231  -1.632
  294    HB3  CYS  36           2HB      CYS  36   8.446  -3.004  -1.375
  295    HG   CYS  36           HG       CYS  36   6.914  -1.901  -3.832
  296    H    THR  37           H        THR  37   8.185  -5.989  -4.228
  297    HA   THR  37           HA       THR  37  11.115  -5.866  -4.159
  298    HB   THR  37           HB       THR  37  11.357  -8.109  -5.023
  299    HG1  THR  37           1HG      THR  37   8.577  -8.536  -4.667
  300   HG21  THR  37          3HG2      THR  37   9.541  -8.836  -2.859
  301   HG22  THR  37          1HG2      THR  37  10.615  -7.502  -2.441
  302   HG23  THR  37          2HG2      THR  37  11.288  -9.040  -2.985
  303    H    LYS  38           H        LYS  38   9.555  -4.061  -5.494
  304    HA   LYS  38           HA       LYS  38  10.550  -4.207  -8.114
  305    HB2  LYS  38           1HB      LYS  38   8.311  -5.784  -7.850
  306    HB3  LYS  38           2HB      LYS  38   7.636  -4.269  -8.433
  307    HG2  LYS  38           1HG      LYS  38  10.024  -5.223  -9.862
  308    HG3  LYS  38           2HG      LYS  38   8.577  -6.222 -10.028
  309    HD2  LYS  38           1HD      LYS  38   7.888  -3.446 -10.285
  310    HD3  LYS  38           2HD      LYS  38   9.198  -3.847 -11.399
  311    HE2  LYS  38           1HE      LYS  38   7.519  -4.520 -12.737
  312    HE3  LYS  38           2HE      LYS  38   7.577  -5.980 -11.751
  313    HZ1  LYS  38           3HZ      LYS  38   5.817  -3.663 -11.166
  314    HZ2  LYS  38           1HZ      LYS  38   5.791  -5.182 -10.420
  315    HZ3  LYS  38           2HZ      LYS  38   5.320  -5.025 -12.037
  316    H    ASP  39           H        ASP  39   9.920  -2.360  -9.427
  317    HA   ASP  39           HA       ASP  39   9.472  -0.034  -7.800
  318    HB2  ASP  39           1HB      ASP  39  10.156  -0.539 -10.666
  319    HB3  ASP  39           2HB      ASP  39   9.517   1.040 -10.216
  320    H    ASN  40           H        ASN  40   7.553   0.760  -7.290
  321    HA   ASN  40           HA       ASN  40   5.336   1.265  -7.321
  322    HB2  ASN  40           1HB      ASN  40   6.055   1.280 -10.227
  323    HB3  ASN  40           2HB      ASN  40   4.362   1.430  -9.763
  324   HD21  ASN  40          2HD2      ASN  40   7.284   2.670  -8.206
  325   HD22  ASN  40          1HD2      ASN  40   6.838   4.336  -8.301
  326    H    ASN  41           H        ASN  41   5.614  -1.208  -6.556
  327    HA   ASN  41           HA       ASN  41   4.535  -3.252  -8.142
  328    HB2  ASN  41           1HB      ASN  41   5.537  -3.014  -5.536
  329    HB3  ASN  41           2HB      ASN  41   3.888  -3.603  -5.343
  330   HD21  ASN  41          2HD2      ASN  41   6.603  -4.845  -5.016
  331   HD22  ASN  41          1HD2      ASN  41   6.520  -6.307  -5.933
  332    H    LYS  42           H        LYS  42   2.473  -4.397  -6.732
  333    HA   LYS  42           HA       LYS  42   0.284  -2.474  -7.168
  334    HB2  LYS  42           1HB      LYS  42   0.679  -4.805  -8.503
  335    HB3  LYS  42           2HB      LYS  42  -0.343  -5.360  -7.184
  336    HG2  LYS  42           1HG      LYS  42  -2.138  -4.064  -7.853
  337    HG3  LYS  42           2HG      LYS  42  -1.123  -2.960  -8.784
  338    HD2  LYS  42           1HD      LYS  42  -2.089  -4.186 -10.470
  339    HD3  LYS  42           2HD      LYS  42  -0.612  -5.113 -10.192
  340    HE2  LYS  42           1HE      LYS  42  -1.732  -6.830  -9.133
  341    HE3  LYS  42           2HE      LYS  42  -3.085  -5.799  -8.668
  342    HZ1  LYS  42           3HZ      LYS  42  -4.162  -6.583 -10.419
  343    HZ2  LYS  42           1HZ      LYS  42  -2.799  -7.427 -10.964
  344    HZ3  LYS  42           2HZ      LYS  42  -3.043  -5.819 -11.430
  345    H    CYS  43           H        CYS  43  -0.565  -1.787  -5.323
  346    HA   CYS  43           HA       CYS  43  -0.778  -3.689  -3.083
  347    HB2  CYS  43           1HB      CYS  43   0.574  -1.293  -3.093
  348    HB3  CYS  43           2HB      CYS  43  -0.981  -0.842  -2.403
  349    HG   CYS  43           HG       CYS  43  -0.395  -1.604  -0.033
  350    H    THR  44           H        THR  44  -2.477  -2.349  -1.442
  351    HA   THR  44           HA       THR  44  -4.758  -1.231  -2.635
  352    HB   THR  44           HB       THR  44  -6.054  -3.561  -1.888
  353    HG1  THR  44           1HG      THR  44  -3.802  -4.481  -2.090
  354   HG21  THR  44          3HG2      THR  44  -6.141  -1.876  -3.963
  355   HG22  THR  44          1HG2      THR  44  -6.925  -3.455  -3.989
  356   HG23  THR  44          2HG2      THR  44  -5.349  -3.240  -4.751
  357    H    VAL  45           H        VAL  45  -6.511  -0.920  -1.128
  358    HA   VAL  45           HA       VAL  45  -6.089  -1.760   1.622
  359    HB   VAL  45           HB       VAL  45  -6.150   1.165   0.864
  360   HG11  VAL  45          1HG1      VAL  45  -6.565  -0.269   3.431
  361   HG12  VAL  45          2HG1      VAL  45  -5.639   1.233   3.465
  362   HG13  VAL  45          3HG1      VAL  45  -7.287   1.226   2.838
  363   HG21  VAL  45          3HG2      VAL  45  -3.990  -0.514   2.139
  364   HG22  VAL  45          1HG2      VAL  45  -3.965   0.164   0.512
  365   HG23  VAL  45          2HG2      VAL  45  -3.925   1.233   1.913
  366    H    ASP  46           H        ASP  46  -7.944  -1.742   2.855
  367    HA   ASP  46           HA       ASP  46 -10.408  -0.952   1.443
  368    HB2  ASP  46           1HB      ASP  46  -9.751  -3.340   3.120
  369    HB3  ASP  46           2HB      ASP  46 -11.406  -2.739   3.104
  370    H    THR  47           H        THR  47 -11.708   0.474   2.406
  371    HA   THR  47           HA       THR  47 -10.898   1.728   4.842
  372    HB   THR  47           HB       THR  47 -13.437   2.669   4.392
  373    HG1  THR  47           1HG      THR  47 -13.661   2.826   2.145
  374   HG21  THR  47          3HG2      THR  47 -10.794   3.551   3.239
  375   HG22  THR  47          1HG2      THR  47 -11.570   4.118   4.716
  376   HG23  THR  47          2HG2      THR  47 -12.266   4.518   3.146
  377    H    TYR  48           H        TYR  48 -12.939  -0.906   4.075
  378    HA   TYR  48           HA       TYR  48 -14.894  -0.846   6.018
  379    HB2  TYR  48           1HB      TYR  48 -14.603  -2.572   4.200
  380    HB3  TYR  48           2HB      TYR  48 -13.386  -3.337   5.213
  381    HD1  TYR  48           1HD      TYR  48 -14.178  -3.911   7.659
  382    HD2  TYR  48           2HD      TYR  48 -16.797  -3.285   4.365
  383    HE1  TYR  48           1HE      TYR  48 -15.936  -5.176   8.824
  384    HE2  TYR  48           2HE      TYR  48 -18.563  -4.547   5.522
  385    HH   TYR  48           HH       TYR  48 -19.103  -5.077   8.036
  386    H    ASN  49           H        ASN  49 -11.664  -2.329   6.308
  387    HA   ASN  49           HA       ASN  49 -11.583  -1.614   9.119
  388    HB2  ASN  49           1HB      ASN  49 -11.061  -3.925   9.844
  389    HB3  ASN  49           2HB      ASN  49 -12.699  -3.775   9.213
  390   HD21  ASN  49          2HD2      ASN  49  -9.890  -5.538   9.110
  391   HD22  ASN  49          1HD2      ASN  49 -10.174  -6.416   7.649
  392    H    ASN  50           H        ASN  50 -10.091  -0.709   6.915
  393    HA   ASN  50           HA       ASN  50  -7.961  -0.392   6.164
  394    HB2  ASN  50           1HB      ASN  50  -7.941   0.024   8.795
  395    HB3  ASN  50           2HB      ASN  50  -6.848  -1.356   8.755
  396   HD21  ASN  50          2HD2      ASN  50  -7.385   1.561   6.801
  397   HD22  ASN  50          1HD2      ASN  50  -5.726   2.040   6.757
  398    H    ALA  51           H        ALA  51  -8.784  -2.659   5.132
  399    HA   ALA  51           HA       ALA  51  -6.940  -4.814   5.797
  400    HB1  ALA  51           1HB      ALA  51  -9.536  -4.650   4.621
  401    HB2  ALA  51           2HB      ALA  51  -8.448  -5.480   3.510
  402    HB3  ALA  51           3HB      ALA  51  -8.648  -6.076   5.158
  403    H    VAL  52           H        VAL  52  -4.954  -3.954   5.135
  404    HA   VAL  52           HA       VAL  52  -4.594  -3.038   2.419
  405    HB   VAL  52           HB       VAL  52  -2.453  -3.630   4.461
  406   HG11  VAL  52          1HG1      VAL  52  -1.820  -1.464   2.754
  407   HG12  VAL  52          2HG1      VAL  52  -1.044  -3.046   2.848
  408   HG13  VAL  52          3HG1      VAL  52  -2.392  -2.789   1.740
  409   HG21  VAL  52          3HG2      VAL  52  -3.662  -2.051   5.608
  410   HG22  VAL  52          1HG2      VAL  52  -2.609  -1.014   4.646
  411   HG23  VAL  52          2HG2      VAL  52  -4.275  -1.292   4.139
  412    H    ASP  53           H        ASP  53  -3.579  -4.099   0.765
  413    HA   ASP  53           HA       ASP  53  -2.783  -6.891   1.254
  414    HB2  ASP  53           1HB      ASP  53  -4.642  -5.779  -0.809
  415    HB3  ASP  53           2HB      ASP  53  -3.654  -7.180  -1.216
  416    H    CYS  54           H        CYS  54  -0.934  -7.560   0.292
  417    HA   CYS  54           HA       CYS  54   0.613  -5.520  -1.122
  418    HB2  CYS  54           1HB      CYS  54   2.563  -6.758  -0.540
  419    HB3  CYS  54           2HB      CYS  54   1.546  -6.727   0.895
  420    HG   CYS  54           HG       CYS  54   2.826  -9.302  -0.625
  421    H    ASP  55           H        ASP  55   1.857  -6.092  -3.013
  422    HA   ASP  55           HA       ASP  55   0.386  -7.235  -5.051
  423    HB2  ASP  55           1HB      ASP  55   2.380  -5.745  -5.328
  424    HB3  ASP  55           2HB      ASP  55   3.406  -7.122  -4.934
  Start of MODEL    5
    1    H1   ALA   1           H        ALA   1 -14.992  -0.488   1.515
    2    HA   ALA   1           HA       ALA   1 -15.651   0.461  -1.010
    3    HB1  ALA   1           1HB      ALA   1 -13.859   2.540   0.031
    4    HB2  ALA   1           2HB      ALA   1 -15.210   2.662  -1.098
    5    HB3  ALA   1           3HB      ALA   1 -15.513   2.609   0.639
    6    H    LYS   2           H        LYS   2 -13.329   1.442  -2.013
    7    HA   LYS   2           HA       LYS   2 -11.161  -0.278  -1.075
    8    HB2  LYS   2           1HB      LYS   2 -12.178  -0.295  -3.923
    9    HB3  LYS   2           2HB      LYS   2 -10.738  -1.125  -3.349
   10    HG2  LYS   2           1HG      LYS   2 -12.254  -2.389  -1.771
   11    HG3  LYS   2           2HG      LYS   2 -13.606  -1.717  -2.686
   12    HD2  LYS   2           1HD      LYS   2 -13.197  -3.829  -3.642
   13    HD3  LYS   2           2HD      LYS   2 -12.473  -2.668  -4.757
   14    HE2  LYS   2           1HE      LYS   2 -10.381  -3.401  -4.358
   15    HE3  LYS   2           2HE      LYS   2 -10.684  -3.640  -2.638
   16    HZ1  LYS   2           3HZ      LYS   2 -12.156  -5.517  -4.155
   17    HZ2  LYS   2           1HZ      LYS   2 -10.968  -5.796  -2.984
   18    HZ3  LYS   2           2HZ      LYS   2 -10.526  -5.582  -4.602
   19    H    TYR   3           H        TYR   3  -9.093   0.211  -2.242
   20    HA   TYR   3           HA       TYR   3  -8.959   2.836  -3.485
   21    HB2  TYR   3           1HB      TYR   3  -7.769   2.188  -0.802
   22    HB3  TYR   3           2HB      TYR   3  -7.028   3.398  -1.844
   23    HD1  TYR   3           2HD      TYR   3  -9.997   2.563   0.154
   24    HD2  TYR   3           1HD      TYR   3  -8.073   5.537  -2.202
   25    HE1  TYR   3           2HE      TYR   3 -11.584   4.245   0.993
   26    HE2  TYR   3           1HE      TYR   3  -9.653   7.229  -1.369
   27    HH   TYR   3           HH       TYR   3 -11.801   6.601   1.252
   28    H    THR   4           H        THR   4  -7.084   3.179  -4.687
   29    HA   THR   4           HA       THR   4  -5.531   0.742  -5.208
   30    HB   THR   4           HB       THR   4  -4.795   2.188  -7.269
   31    HG1  THR   4           1HG      THR   4  -5.783   4.053  -7.320
   32   HG21  THR   4          3HG2      THR   4  -6.989   1.475  -8.426
   33   HG22  THR   4          1HG2      THR   4  -7.419   0.789  -6.860
   34   HG23  THR   4          2HG2      THR   4  -5.978   0.222  -7.707
   35    H    GLY   5           H        GLY   5  -3.292   0.742  -5.233
   36    HA2  GLY   5           1HA      GLY   5  -1.690   3.060  -4.961
   37    HA3  GLY   5           2HA      GLY   5  -1.959   2.341  -3.381
   38    H    LYS   6           H        LYS   6   0.386   2.599  -5.391
   39    HA   LYS   6           HA       LYS   6   1.125  -0.239  -5.521
   40    HB2  LYS   6           1HB      LYS   6   2.772   1.927  -6.758
   41    HB3  LYS   6           2HB      LYS   6   2.551   0.262  -7.276
   42    HG2  LYS   6           1HG      LYS   6   1.323   1.293  -8.874
   43    HG3  LYS   6           2HG      LYS   6   0.064   1.109  -7.651
   44    HD2  LYS   6           1HD      LYS   6  -0.238   3.314  -7.806
   45    HD3  LYS   6           2HD      LYS   6   1.313   3.491  -6.979
   46    HE2  LYS   6           1HE      LYS   6   2.395   4.107  -8.863
   47    HE3  LYS   6           2HE      LYS   6   1.458   3.017  -9.884
   48    HZ1  LYS   6           3HZ      LYS   6  -0.204   4.560 -10.158
   49    HZ2  LYS   6           1HZ      LYS   6   1.155   5.565 -10.102
   50    HZ3  LYS   6           2HZ      LYS   6   0.170   5.400  -8.738
   51    H    CYS   7           H        CYS   7   3.609  -0.549  -5.264
   52    HA   CYS   7           HA       CYS   7   4.531   0.993  -2.932
   53    HB2  CYS   7           1HB      CYS   7   4.872  -1.985  -3.337
   54    HB3  CYS   7           2HB      CYS   7   5.444  -1.052  -1.960
   55    HG   CYS   7           HG       CYS   7   2.668  -2.632  -2.218
   56    H    THR   8           H        THR   8   6.829   1.104  -2.653
   57    HA   THR   8           HA       THR   8   8.275   0.828  -5.201
   58    HB   THR   8           HB       THR   8   9.637   2.647  -4.620
   59    HG1  THR   8           1HG      THR   8   9.769   3.454  -2.506
   60   HG21  THR   8          3HG2      THR   8   7.215   3.676  -3.250
   61   HG22  THR   8          1HG2      THR   8   7.012   3.038  -4.880
   62   HG23  THR   8          2HG2      THR   8   8.136   4.364  -4.586
   63    H    LYS   9           H        LYS   9  10.308  -0.106  -5.264
   64    HA   LYS   9           HA       LYS   9  10.818  -2.245  -3.554
   65    HB2  LYS   9           1HB      LYS   9  12.765  -0.755  -5.325
   66    HB3  LYS   9           2HB      LYS   9  13.038  -2.348  -4.628
   67    HG2  LYS   9           1HG      LYS   9  10.701  -2.781  -5.890
   68    HG3  LYS   9           2HG      LYS   9  11.401  -1.542  -6.936
   69    HD2  LYS   9           1HD      LYS   9  13.439  -3.417  -6.289
   70    HD3  LYS   9           2HD      LYS   9  12.013  -4.314  -6.817
   71    HE2  LYS   9           1HE      LYS   9  12.177  -3.572  -8.937
   72    HE3  LYS   9           2HE      LYS   9  12.668  -1.953  -8.440
   73    HZ1  LYS   9           3HZ      LYS   9  14.276  -3.994  -9.442
   74    HZ2  LYS   9           1HZ      LYS   9  14.725  -3.769  -7.826
   75    HZ3  LYS   9           2HZ      LYS   9  14.757  -2.465  -8.902
   76    H    SER  10           H        SER  10  11.667   1.101  -3.285
   77    HA   SER  10           HA       SER  10  13.506   0.539  -1.071
   78    HB2  SER  10           1HB      SER  10  14.305   2.773  -1.303
   79    HB3  SER  10           2HB      SER  10  14.140   2.141  -2.942
   80    HG   SER  10           HG       SER  10  13.212   4.155  -2.913
   81    H    LYS  11           H        LYS  11  10.442   0.453  -1.133
   82    HA   LYS  11           HA       LYS  11   9.990   1.264   1.501
   83    HB2  LYS  11           1HB      LYS  11   9.754   3.386  -0.454
   84    HB3  LYS  11           2HB      LYS  11   8.217   3.102   0.351
   85    HG2  LYS  11           1HG      LYS  11   9.862   3.109   2.479
   86    HG3  LYS  11           2HG      LYS  11  10.733   4.206   1.404
   87    HD2  LYS  11           1HD      LYS  11   9.024   5.756   1.386
   88    HD3  LYS  11           2HD      LYS  11   7.792   4.557   1.783
   89    HE2  LYS  11           1HE      LYS  11   8.086   5.929   3.704
   90    HE3  LYS  11           2HE      LYS  11   8.839   4.374   4.054
   91    HZ1  LYS  11           3HZ      LYS  11  10.193   6.293   4.745
   92    HZ2  LYS  11           1HZ      LYS  11  10.311   6.781   3.130
   93    HZ3  LYS  11           2HZ      LYS  11  10.987   5.310   3.620
   94    H    ASN  12           H        ASN  12   8.681  -0.390   1.946
   95    HA   ASN  12           HA       ASN  12   6.655  -1.227   0.037
   96    HB2  ASN  12           1HB      ASN  12   7.910  -2.997   1.079
   97    HB3  ASN  12           2HB      ASN  12   7.550  -2.374   2.686
   98   HD21  ASN  12          2HD2      ASN  12   5.962  -3.321   3.729
   99   HD22  ASN  12          1HD2      ASN  12   4.676  -4.230   3.018
  100    H    GLU  13           H        GLU  13   5.453   0.810   0.276
  101    HA   GLU  13           HA       GLU  13   3.510   0.579   2.455
  102    HB2  GLU  13           1HB      GLU  13   3.573   2.921   2.962
  103    HB3  GLU  13           2HB      GLU  13   5.215   2.302   3.068
  104    HG2  GLU  13           1HG      GLU  13   5.709   3.209   0.861
  105    HG3  GLU  13           2HG      GLU  13   4.060   3.816   0.737
  106    H    CYS  14           H        CYS  14   1.461   1.546   2.005
  107    HA   CYS  14           HA       CYS  14   0.830   1.499  -0.829
  108    HB2  CYS  14           1HB      CYS  14  -0.511   0.408   1.142
  109    HB3  CYS  14           2HB      CYS  14  -1.197   2.018   1.316
  110    HG   CYS  14           HG       CYS  14  -1.303   1.070  -1.845
  111    H    LYS  15           H        LYS  15   1.343   3.359  -1.833
  112    HA   LYS  15           HA       LYS  15   0.823   5.918  -0.557
  113    HB2  LYS  15           1HB      LYS  15   1.859   6.850  -2.637
  114    HB3  LYS  15           2HB      LYS  15   2.902   5.754  -1.739
  115    HG2  LYS  15           1HG      LYS  15   2.764   4.098  -3.336
  116    HG3  LYS  15           2HG      LYS  15   1.239   4.706  -3.984
  117    HD2  LYS  15           1HD      LYS  15   3.863   6.170  -4.221
  118    HD3  LYS  15           2HD      LYS  15   3.235   5.077  -5.456
  119    HE2  LYS  15           1HE      LYS  15   1.104   6.748  -4.933
  120    HE3  LYS  15           2HE      LYS  15   2.497   7.824  -4.835
  121    HZ1  LYS  15           3HZ      LYS  15   3.119   7.319  -7.022
  122    HZ2  LYS  15           1HZ      LYS  15   1.442   7.535  -7.095
  123    HZ3  LYS  15           2HZ      LYS  15   2.095   5.976  -7.110
  124    H    TYR  16           H        TYR  16  -1.559   5.155  -0.623
  125    HA   TYR  16           HA       TYR  16  -2.816   5.721  -3.204
  126    HB2  TYR  16           1HB      TYR  16  -4.798   4.740  -2.323
  127    HB3  TYR  16           2HB      TYR  16  -3.468   3.708  -1.812
  128    HD1  TYR  16           2HD      TYR  16  -2.755   3.672   0.538
  129    HD2  TYR  16           1HD      TYR  16  -6.090   5.994  -0.724
  130    HE1  TYR  16           2HE      TYR  16  -3.482   3.890   2.877
  131    HE2  TYR  16           1HE      TYR  16  -6.825   6.219   1.612
  132    HH   TYR  16           HH       TYR  16  -5.256   4.461   4.208
  133    H    LYS  17           H        LYS  17  -5.071   6.882  -2.841
  134    HA   LYS  17           HA       LYS  17  -4.541   9.314  -1.263
  135    HB2  LYS  17           1HB      LYS  17  -5.840   9.000  -3.966
  136    HB3  LYS  17           2HB      LYS  17  -6.005  10.462  -3.002
  137    HG2  LYS  17           1HG      LYS  17  -3.750  11.002  -3.211
  138    HG3  LYS  17           2HG      LYS  17  -3.306   9.360  -3.687
  139    HD2  LYS  17           1HD      LYS  17  -5.239  10.606  -5.485
  140    HD3  LYS  17           2HD      LYS  17  -3.707  11.477  -5.395
  141    HE2  LYS  17           1HE      LYS  17  -2.505   9.411  -5.911
  142    HE3  LYS  17           2HE      LYS  17  -4.033   8.536  -5.986
  143    HZ1  LYS  17           3HZ      LYS  17  -4.325   9.186  -8.070
  144    HZ2  LYS  17           1HZ      LYS  17  -2.763   9.835  -8.055
  145    HZ3  LYS  17           2HZ      LYS  17  -4.088  10.814  -7.676
  146    H    ASN  18           H        ASN  18  -6.182  10.154  -0.037
  147    HA   ASN  18           HA       ASN  18  -8.727   8.673  -0.032
  148    HB2  ASN  18           1HB      ASN  18  -8.748   8.495   2.283
  149    HB3  ASN  18           2HB      ASN  18  -7.041   8.256   1.923
  150   HD21  ASN  18          2HD2      ASN  18  -5.809  10.428   1.803
  151   HD22  ASN  18          1HD2      ASN  18  -6.104  11.507   3.122
  152    H    ASP  19           H        ASP  19 -10.467   9.929   1.181
  153    HA   ASP  19           HA       ASP  19 -11.744  11.796   1.475
  154    HB2  ASP  19           1HB      ASP  19  -9.493  12.693   2.410
  155    HB3  ASP  19           2HB      ASP  19  -9.381  13.553   0.877
  156    H    ALA  20           H        ALA  20  -9.347  12.884  -0.930
  157    HA   ALA  20           HA       ALA  20 -11.015  12.500  -3.171
  158    HB1  ALA  20           1HB      ALA  20 -11.983  14.539  -3.575
  159    HB2  ALA  20           2HB      ALA  20 -12.088  14.472  -1.815
  160    HB3  ALA  20           3HB      ALA  20 -10.813  15.414  -2.587
  161    H    GLY  21           H        GLY  21  -8.331  11.995  -2.555
  162    HA2  GLY  21           1HA      GLY  21  -6.623  12.047  -4.296
  163    HA3  GLY  21           2HA      GLY  21  -6.997  13.750  -4.520
  164    H    LYS  22           H        LYS  22  -6.967  12.739  -1.270
  165    HA   LYS  22           HA       LYS  22  -4.645  14.356  -0.730
  166    HB2  LYS  22           1HB      LYS  22  -6.920  13.528   0.711
  167    HB3  LYS  22           2HB      LYS  22  -5.539  12.831   1.548
  168    HG2  LYS  22           1HG      LYS  22  -5.759  15.742   0.818
  169    HG3  LYS  22           2HG      LYS  22  -6.245  15.072   2.377
  170    HD2  LYS  22           1HD      LYS  22  -4.016  14.396   2.872
  171    HD3  LYS  22           2HD      LYS  22  -3.480  14.740   1.225
  172    HE2  LYS  22           1HE      LYS  22  -2.728  16.615   2.304
  173    HE3  LYS  22           2HE      LYS  22  -4.329  17.160   1.804
  174    HZ1  LYS  22           3HZ      LYS  22  -3.870  15.928   4.452
  175    HZ2  LYS  22           1HZ      LYS  22  -5.168  16.890   3.949
  176    HZ3  LYS  22           2HZ      LYS  22  -3.645  17.585   4.197
  177    H    ASP  23           H        ASP  23  -2.658  13.590  -0.963
  178    HA   ASP  23           HA       ASP  23  -1.910  10.960  -1.342
  179    HB2  ASP  23           1HB      ASP  23  -0.528  13.476  -0.722
  180    HB3  ASP  23           2HB      ASP  23   0.338  12.036  -0.193
  181    H    THR  24           H        THR  24  -1.642   9.241  -0.073
  182    HA   THR  24           HA       THR  24  -1.289   9.625   2.813
  183    HB   THR  24           HB       THR  24  -3.337   7.771   1.583
  184    HG1  THR  24           1HG      THR  24  -3.791  10.131   1.879
  185   HG21  THR  24          3HG2      THR  24  -3.905   7.173   3.887
  186   HG22  THR  24          1HG2      THR  24  -2.589   8.187   4.481
  187   HG23  THR  24          2HG2      THR  24  -2.232   6.752   3.520
  188    H    PHE  25           H        PHE  25   0.190   8.304   3.686
  189    HA   PHE  25           HA       PHE  25   1.018   5.934   2.151
  190    HB2  PHE  25           1HB      PHE  25   2.855   7.842   3.615
  191    HB3  PHE  25           2HB      PHE  25   3.349   6.380   2.770
  192    HD1  PHE  25           1HD      PHE  25   1.859   9.731   2.296
  193    HD2  PHE  25           2HD      PHE  25   3.766   6.397   0.462
  194    HE1  PHE  25           1HE      PHE  25   2.122  11.027   0.222
  195    HE2  PHE  25           2HE      PHE  25   4.033   7.689  -1.616
  196    HZ   PHE  25           HZ       PHE  25   3.211  10.007  -1.737
  197    H    ILE  26           H        ILE  26   1.329   4.096   3.292
  198    HA   ILE  26           HA       ILE  26   1.717   4.132   6.150
  199    HB   ILE  26           HB       ILE  26  -0.688   4.382   6.105
  200   HG12  ILE  26          1HG1      ILE  26  -1.334   2.354   7.345
  201   HG13  ILE  26          2HG1      ILE  26   0.097   1.528   6.740
  202   HG21  ILE  26          1HG2      ILE  26  -1.991   3.492   4.541
  203   HG22  ILE  26          2HG2      ILE  26  -0.538   2.853   3.776
  204   HG23  ILE  26          3HG2      ILE  26  -1.435   1.864   4.926
  205   HD11  ILE  26          3HD1      ILE  26   0.073   2.577   9.122
  206   HD12  ILE  26          1HD1      ILE  26   1.512   2.696   8.110
  207   HD13  ILE  26          2HD1      ILE  26   0.416   4.071   8.252
  208    H    LYS  27           H        LYS  27   3.085   2.547   6.599
  209    HA   LYS  27           HA       LYS  27   3.958   0.651   4.745
  210    HB2  LYS  27           1HB      LYS  27   5.080  -0.434   6.673
  211    HB3  LYS  27           2HB      LYS  27   5.349   1.302   6.611
  212    HG2  LYS  27           1HG      LYS  27   3.483   1.541   8.281
  213    HG3  LYS  27           2HG      LYS  27   3.525  -0.215   8.454
  214    HD2  LYS  27           1HD      LYS  27   6.027   0.084   8.927
  215    HD3  LYS  27           2HD      LYS  27   5.648   1.794   9.148
  216    HE2  LYS  27           1HE      LYS  27   3.725   0.605  10.666
  217    HE3  LYS  27           2HE      LYS  27   5.073  -0.513  10.872
  218    HZ1  LYS  27           3HZ      LYS  27   6.437   1.533  11.400
  219    HZ2  LYS  27           1HZ      LYS  27   5.303   1.065  12.564
  220    HZ3  LYS  27           2HZ      LYS  27   4.972   2.368  11.538
  221    H    CYS  28           H        CYS  28   3.306  -1.344   4.196
  222    HA   CYS  28           HA       CYS  28   0.814  -2.318   5.317
  223    HB2  CYS  28           1HB      CYS  28   2.456  -3.574   3.116
  224    HB3  CYS  28           2HB      CYS  28   0.751  -3.836   3.464
  225    HG   CYS  28           HG       CYS  28   2.136  -1.633   1.473
  226    HA   PRO  29           HA       PRO  29   2.504  -5.393   7.952
  227    HB2  PRO  29           1HB      PRO  29   0.615  -7.334   7.765
  228    HB3  PRO  29           2HB      PRO  29   0.351  -5.818   8.633
  229    HG2  PRO  29           1HG      PRO  29  -0.508  -6.593   5.872
  230    HG3  PRO  29           2HG      PRO  29  -1.421  -5.736   7.129
  231    HD2  PRO  29           1HD      PRO  29  -0.240  -4.454   5.057
  232    HD3  PRO  29           2HD      PRO  29  -0.411  -3.717   6.663
  233    H    LYS  30           H        LYS  30   4.278  -5.687   6.302
  234    HA   LYS  30           HA       LYS  30   4.369  -8.484   5.537
  235    HB2  LYS  30           1HB      LYS  30   4.462  -6.223   3.565
  236    HB3  LYS  30           2HB      LYS  30   5.337  -7.715   3.246
  237    HG2  LYS  30           1HG      LYS  30   2.380  -7.525   3.779
  238    HG3  LYS  30           2HG      LYS  30   3.124  -7.663   2.184
  239    HD2  LYS  30           1HD      LYS  30   3.343  -9.872   2.396
  240    HD3  LYS  30           2HD      LYS  30   4.095  -9.708   3.984
  241    HE2  LYS  30           1HE      LYS  30   2.179 -10.153   5.068
  242    HE3  LYS  30           2HE      LYS  30   1.214  -9.181   3.957
  243    HZ1  LYS  30           3HZ      LYS  30   1.672 -11.151   2.351
  244    HZ2  LYS  30           1HZ      LYS  30   0.456 -11.283   3.519
  245    HZ3  LYS  30           2HZ      LYS  30   1.958 -12.018   3.775
  246    H    PHE  31           H        PHE  31   5.729  -7.305   7.578
  247    HA   PHE  31           HA       PHE  31   8.346  -6.463   6.715
  248    HB2  PHE  31           1HB      PHE  31   8.871  -6.292   9.071
  249    HB3  PHE  31           2HB      PHE  31   7.275  -5.602   8.793
  250    HD1  PHE  31           2HD      PHE  31   5.267  -6.770   9.554
  251    HD2  PHE  31           1HD      PHE  31   9.163  -8.269  10.382
  252    HE1  PHE  31           2HE      PHE  31   4.326  -8.249  11.280
  253    HE2  PHE  31           1HE      PHE  31   8.229  -9.751  12.110
  254    HZ   PHE  31           HZ       PHE  31   5.809  -9.742  12.562
  255    H    ASP  32           H        ASP  32  10.086  -7.696   6.397
  256    HA   ASP  32           HA       ASP  32  11.345  -9.571   6.075
  257    HB2  ASP  32           1HB      ASP  32  10.230 -10.301   8.793
  258    HB3  ASP  32           2HB      ASP  32  11.682 -10.971   8.052
  259    H    ASN  33           H        ASN  33   9.427  -9.940   4.465
  260    HA   ASN  33           HA       ASN  33   8.986 -12.693   4.292
  261    HB2  ASN  33           1HB      ASN  33   7.280 -11.653   6.155
  262    HB3  ASN  33           2HB      ASN  33   6.302 -11.548   4.695
  263   HD21  ASN  33          2HD2      ASN  33   5.615 -13.170   6.816
  264   HD22  ASN  33          1HD2      ASN  33   5.750 -14.823   6.332
  265    H    LYS  34           H        LYS  34   7.893  -9.464   3.462
  266    HA   LYS  34           HA       LYS  34   8.187  -9.876   0.695
  267    HB2  LYS  34           1HB      LYS  34   5.983 -11.143   1.360
  268    HB3  LYS  34           2HB      LYS  34   5.291  -9.526   1.372
  269    HG2  LYS  34           1HG      LYS  34   4.870 -10.004  -0.785
  270    HG3  LYS  34           2HG      LYS  34   6.535  -9.458  -1.002
  271    HD2  LYS  34           1HD      LYS  34   6.864 -12.099  -0.354
  272    HD3  LYS  34           2HD      LYS  34   5.374 -12.127  -1.299
  273    HE2  LYS  34           1HE      LYS  34   6.486 -10.977  -3.126
  274    HE3  LYS  34           2HE      LYS  34   7.964 -10.851  -2.174
  275    HZ1  LYS  34           3HZ      LYS  34   8.442 -12.702  -3.365
  276    HZ2  LYS  34           1HZ      LYS  34   6.824 -13.167  -3.538
  277    HZ3  LYS  34           2HZ      LYS  34   7.635 -13.452  -2.081
  278    H    LYS  35           H        LYS  35   9.252  -7.940   2.067
  279    HA   LYS  35           HA       LYS  35   7.588  -5.596   2.236
  280    HB2  LYS  35           1HB      LYS  35  10.472  -6.206   2.739
  281    HB3  LYS  35           2HB      LYS  35   9.979  -4.531   2.539
  282    HG2  LYS  35           1HG      LYS  35   8.214  -5.061   4.335
  283    HG3  LYS  35           2HG      LYS  35   9.210  -6.479   4.677
  284    HD2  LYS  35           1HD      LYS  35   9.929  -4.771   6.160
  285    HD3  LYS  35           2HD      LYS  35  11.167  -4.903   4.908
  286    HE2  LYS  35           1HE      LYS  35  10.748  -2.840   4.099
  287    HE3  LYS  35           2HE      LYS  35   9.008  -2.987   4.343
  288    HZ1  LYS  35           3HZ      LYS  35   9.681  -1.346   5.832
  289    HZ2  LYS  35           1HZ      LYS  35  11.073  -2.186   6.298
  290    HZ3  LYS  35           2HZ      LYS  35   9.552  -2.728   6.799
  291    H    CYS  36           H        CYS  36   7.144  -6.273  -0.227
  292    HA   CYS  36           HA       CYS  36   7.156  -5.531  -2.376
  293    HB2  CYS  36           1HB      CYS  36   7.202  -3.293  -1.260
  294    HB3  CYS  36           2HB      CYS  36   8.958  -3.322  -1.368
  295    HG   CYS  36           HG       CYS  36   6.994  -2.013  -3.467
  296    H    THR  37           H        THR  37   8.339  -5.824  -4.252
  297    HA   THR  37           HA       THR  37  11.219  -6.077  -4.147
  298    HB   THR  37           HB       THR  37  11.048  -8.424  -5.204
  299    HG1  THR  37           1HG      THR  37   8.708  -8.654  -3.646
  300   HG21  THR  37          3HG2      THR  37  10.276  -8.609  -2.349
  301   HG22  THR  37          1HG2      THR  37  11.684  -7.620  -2.732
  302   HG23  THR  37          2HG2      THR  37  11.647  -9.320  -3.199
  303    H    LYS  38           H        LYS  38   9.457  -4.364  -5.563
  304    HA   LYS  38           HA       LYS  38  10.532  -4.511  -8.145
  305    HB2  LYS  38           1HB      LYS  38   8.763  -5.263  -9.502
  306    HB3  LYS  38           2HB      LYS  38   8.855  -6.440  -8.198
  307    HG2  LYS  38           1HG      LYS  38   6.623  -6.124  -8.177
  308    HG3  LYS  38           2HG      LYS  38   7.063  -4.771  -7.132
  309    HD2  LYS  38           1HD      LYS  38   6.149  -3.353  -8.579
  310    HD3  LYS  38           2HD      LYS  38   7.258  -3.908  -9.835
  311    HE2  LYS  38           1HE      LYS  38   4.836  -5.527  -9.181
  312    HE3  LYS  38           2HE      LYS  38   4.671  -4.082 -10.176
  313    HZ1  LYS  38           3HZ      LYS  38   6.677  -5.210 -11.429
  314    HZ2  LYS  38           1HZ      LYS  38   5.072  -5.612 -11.783
  315    HZ3  LYS  38           2HZ      LYS  38   5.994  -6.616 -10.782
  316    H    ASP  39           H        ASP  39  10.441  -2.534  -9.020
  317    HA   ASP  39           HA       ASP  39   9.450  -0.333  -7.681
  318    HB2  ASP  39           1HB      ASP  39  10.503  -0.866 -10.372
  319    HB3  ASP  39           2HB      ASP  39   9.427   0.527 -10.284
  320    H    ASN  40           H        ASN  40   7.461   0.346  -7.280
  321    HA   ASN  40           HA       ASN  40   5.222   0.719  -7.436
  322    HB2  ASN  40           1HB      ASN  40   6.156   0.727 -10.233
  323    HB3  ASN  40           2HB      ASN  40   4.432   0.431 -10.028
  324   HD21  ASN  40          2HD2      ASN  40   6.773   2.484  -8.328
  325   HD22  ASN  40          1HD2      ASN  40   5.883   3.952  -8.524
  326    H    ASN  41           H        ASN  41   5.072  -1.347  -6.260
  327    HA   ASN  41           HA       ASN  41   4.383  -3.720  -7.732
  328    HB2  ASN  41           1HB      ASN  41   5.225  -3.145  -5.112
  329    HB3  ASN  41           2HB      ASN  41   3.606  -3.819  -4.952
  330   HD21  ASN  41          2HD2      ASN  41   6.239  -4.908  -4.229
  331   HD22  ASN  41          1HD2      ASN  41   6.351  -6.430  -5.040
  332    H    LYS  42           H        LYS  42   2.301  -4.784  -6.262
  333    HA   LYS  42           HA       LYS  42   0.062  -2.999  -6.961
  334    HB2  LYS  42           1HB      LYS  42   0.594  -5.332  -8.198
  335    HB3  LYS  42           2HB      LYS  42  -0.395  -5.928  -6.870
  336    HG2  LYS  42           1HG      LYS  42  -2.265  -4.705  -7.561
  337    HG3  LYS  42           2HG      LYS  42  -1.304  -3.662  -8.611
  338    HD2  LYS  42           1HD      LYS  42  -1.375  -5.121 -10.318
  339    HD3  LYS  42           2HD      LYS  42  -1.119  -6.512  -9.262
  340    HE2  LYS  42           1HE      LYS  42  -3.266  -6.830 -10.137
  341    HE3  LYS  42           2HE      LYS  42  -3.542  -6.172  -8.526
  342    HZ1  LYS  42           3HZ      LYS  42  -4.948  -5.132 -10.220
  343    HZ2  LYS  42           1HZ      LYS  42  -3.571  -4.584 -11.035
  344    HZ3  LYS  42           2HZ      LYS  42  -3.919  -4.009  -9.484
  345    H    CYS  43           H        CYS  43  -0.939  -2.276  -5.210
  346    HA   CYS  43           HA       CYS  43  -1.337  -4.126  -2.956
  347    HB2  CYS  43           1HB      CYS  43   0.207  -1.770  -2.926
  348    HB3  CYS  43           2HB      CYS  43  -1.281  -1.385  -2.069
  349    HG   CYS  43           HG       CYS  43   1.069  -3.715  -1.265
  350    H    THR  44           H        THR  44  -2.944  -2.677  -1.357
  351    HA   THR  44           HA       THR  44  -5.012  -1.247  -2.636
  352    HB   THR  44           HB       THR  44  -6.609  -3.404  -1.950
  353    HG1  THR  44           1HG      THR  44  -4.686  -4.488  -3.691
  354   HG21  THR  44          3HG2      THR  44  -7.361  -2.381  -3.822
  355   HG22  THR  44          1HG2      THR  44  -6.452  -3.652  -4.638
  356   HG23  THR  44          2HG2      THR  44  -5.735  -2.055  -4.424
  357    H    VAL  45           H        VAL  45  -6.857  -0.845  -1.199
  358    HA   VAL  45           HA       VAL  45  -6.509  -1.633   1.585
  359    HB   VAL  45           HB       VAL  45  -6.555   1.267   0.735
  360   HG11  VAL  45          1HG1      VAL  45  -6.973  -0.090   3.347
  361   HG12  VAL  45          2HG1      VAL  45  -6.080   1.432   3.329
  362   HG13  VAL  45          3HG1      VAL  45  -7.725   1.367   2.695
  363   HG21  VAL  45          3HG2      VAL  45  -4.406  -0.330   2.128
  364   HG22  VAL  45          1HG2      VAL  45  -4.370   0.193   0.444
  365   HG23  VAL  45          2HG2      VAL  45  -4.339   1.389   1.741
  366    H    ASP  46           H        ASP  46  -8.385  -1.565   2.787
  367    HA   ASP  46           HA       ASP  46 -10.818  -0.782   1.320
  368    HB2  ASP  46           1HB      ASP  46 -10.098  -3.310   2.384
  369    HB3  ASP  46           2HB      ASP  46 -11.403  -2.680   3.385
  370    H    THR  47           H        THR  47 -12.417   0.312   2.419
  371    HA   THR  47           HA       THR  47 -11.553   1.719   4.792
  372    HB   THR  47           HB       THR  47 -14.004   2.685   4.491
  373    HG1  THR  47           1HG      THR  47 -14.887   1.650   2.841
  374   HG21  THR  47          3HG2      THR  47 -12.410   4.282   4.190
  375   HG22  THR  47          1HG2      THR  47 -12.897   4.094   2.506
  376   HG23  THR  47          2HG2      THR  47 -11.452   3.278   3.103
  377    H    TYR  48           H        TYR  48 -13.393  -1.057   4.088
  378    HA   TYR  48           HA       TYR  48 -15.353  -1.111   6.026
  379    HB2  TYR  48           1HB      TYR  48 -15.238  -2.875   4.412
  380    HB3  TYR  48           2HB      TYR  48 -13.629  -3.344   4.949
  381    HD1  TYR  48           2HD      TYR  48 -17.118  -3.032   6.245
  382    HD2  TYR  48           1HD      TYR  48 -13.417  -5.125   6.414
  383    HE1  TYR  48           2HE      TYR  48 -18.115  -4.660   7.795
  384    HE2  TYR  48           1HE      TYR  48 -14.405  -6.759   7.962
  385    HH   TYR  48           HH       TYR  48 -17.282  -6.258   9.574
  386    H    ASN  49           H        ASN  49 -12.044  -2.403   6.363
  387    HA   ASN  49           HA       ASN  49 -12.001  -1.577   9.146
  388    HB2  ASN  49           1HB      ASN  49 -11.358  -3.827   9.953
  389    HB3  ASN  49           2HB      ASN  49 -12.998  -3.793   9.309
  390   HD21  ASN  49          2HD2      ASN  49 -12.045  -6.189   9.502
  391   HD22  ASN  49          1HD2      ASN  49 -11.512  -6.826   7.987
  392    H    ASN  50           H        ASN  50 -10.559  -0.670   6.908
  393    HA   ASN  50           HA       ASN  50  -8.448  -0.262   6.145
  394    HB2  ASN  50           1HB      ASN  50  -8.442   0.298   8.724
  395    HB3  ASN  50           2HB      ASN  50  -7.339  -1.073   8.801
  396   HD21  ASN  50          2HD2      ASN  50  -7.870   1.799   6.780
  397   HD22  ASN  50          1HD2      ASN  50  -6.204   2.252   6.693
  398    H    ALA  51           H        ALA  51  -9.108  -2.574   5.151
  399    HA   ALA  51           HA       ALA  51  -7.319  -4.700   5.941
  400    HB1  ALA  51           1HB      ALA  51  -8.312  -5.639   3.669
  401    HB2  ALA  51           2HB      ALA  51  -9.239  -5.649   5.170
  402    HB3  ALA  51           3HB      ALA  51  -9.515  -4.385   3.972
  403    H    VAL  52           H        VAL  52  -5.241  -3.911   5.616
  404    HA   VAL  52           HA       VAL  52  -4.442  -2.814   3.074
  405    HB   VAL  52           HB       VAL  52  -2.760  -3.676   5.432
  406   HG11  VAL  52          1HG1      VAL  52  -1.339  -3.677   3.554
  407   HG12  VAL  52          2HG1      VAL  52  -2.082  -2.220   2.891
  408   HG13  VAL  52          3HG1      VAL  52  -1.079  -2.120   4.338
  409   HG21  VAL  52          3HG2      VAL  52  -4.256  -1.217   4.784
  410   HG22  VAL  52          1HG2      VAL  52  -3.791  -1.888   6.349
  411   HG23  VAL  52          2HG2      VAL  52  -2.616  -0.986   5.391
  412    H    ASP  53           H        ASP  53  -4.337  -4.132   1.372
  413    HA   ASP  53           HA       ASP  53  -3.587  -6.915   1.676
  414    HB2  ASP  53           1HB      ASP  53  -5.334  -5.725   0.012
  415    HB3  ASP  53           2HB      ASP  53  -3.912  -5.738  -1.028
  416    H    CYS  54           H        CYS  54  -2.200  -7.545  -0.535
  417    HA   CYS  54           HA       CYS  54   0.091  -5.806  -0.840
  418    HB2  CYS  54           1HB      CYS  54   1.737  -7.306   0.019
  419    HB3  CYS  54           2HB      CYS  54   0.512  -7.128   1.268
  420    HG   CYS  54           HG       CYS  54  -0.768  -9.591   0.411
  421    H    ASP  55           H        ASP  55   1.576  -6.554  -2.491
  422    HA   ASP  55           HA       ASP  55   0.248  -7.625  -4.732
  423    HB2  ASP  55           1HB      ASP  55   2.214  -6.067  -4.800
  424    HB3  ASP  55           2HB      ASP  55   3.237  -7.421  -4.329
  Start of MODEL    6
    1    H1   ALA   1           H        ALA   1 -16.498   1.301   1.702
    2    HA   ALA   1           HA       ALA   1 -15.802   2.486  -0.855
    3    HB1  ALA   1           1HB      ALA   1 -14.052   3.651   0.695
    4    HB2  ALA   1           2HB      ALA   1 -15.754   4.111   0.772
    5    HB3  ALA   1           3HB      ALA   1 -15.078   3.027   1.988
    6    H    LYS   2           H        LYS   2 -13.234   2.852  -0.983
    7    HA   LYS   2           HA       LYS   2 -11.531   0.763  -0.185
    8    HB2  LYS   2           1HB      LYS   2 -13.219   0.103  -2.376
    9    HB3  LYS   2           2HB      LYS   2 -11.587   0.293  -3.002
   10    HG2  LYS   2           1HG      LYS   2 -10.881  -1.241  -1.070
   11    HG3  LYS   2           2HG      LYS   2 -12.597  -1.636  -0.948
   12    HD2  LYS   2           1HD      LYS   2 -11.443  -1.739  -3.661
   13    HD3  LYS   2           2HD      LYS   2 -10.855  -2.959  -2.529
   14    HE2  LYS   2           1HE      LYS   2 -12.676  -4.063  -3.340
   15    HE3  LYS   2           2HE      LYS   2 -13.445  -3.191  -2.015
   16    HZ1  LYS   2           3HZ      LYS   2 -14.194  -3.116  -4.635
   17    HZ2  LYS   2           1HZ      LYS   2 -13.365  -1.656  -4.426
   18    HZ3  LYS   2           2HZ      LYS   2 -14.682  -2.031  -3.432
   19    H    TYR   3           H        TYR   3  -9.386   1.008  -0.982
   20    HA   TYR   3           HA       TYR   3  -8.928   3.442  -2.571
   21    HB2  TYR   3           1HB      TYR   3  -7.311   2.627  -0.149
   22    HB3  TYR   3           2HB      TYR   3  -7.091   4.078  -1.121
   23    HD1  TYR   3           2HD      TYR   3  -9.887   4.984  -1.439
   24    HD2  TYR   3           1HD      TYR   3  -7.867   3.432   1.969
   25    HE1  TYR   3           2HE      TYR   3 -11.435   6.207   0.029
   26    HE2  TYR   3           1HE      TYR   3  -9.410   4.649   3.447
   27    HH   TYR   3           HH       TYR   3 -11.824   6.873   2.150
   28    H    THR   4           H        THR   4  -7.232   3.385  -3.996
   29    HA   THR   4           HA       THR   4  -5.697   0.875  -4.140
   30    HB   THR   4           HB       THR   4  -6.573   2.374  -6.600
   31    HG1  THR   4           1HG      THR   4  -8.502   1.573  -6.318
   32   HG21  THR   4          3HG2      THR   4  -5.081   0.927  -7.457
   33   HG22  THR   4          1HG2      THR   4  -6.339  -0.283  -7.212
   34   HG23  THR   4          2HG2      THR   4  -5.073  -0.070  -6.003
   35    H    GLY   5           H        GLY   5  -3.641   1.043  -5.266
   36    HA2  GLY   5           1HA      GLY   5  -2.510   3.468  -6.120
   37    HA3  GLY   5           2HA      GLY   5  -2.117   3.248  -4.421
   38    H    LYS   6           H        LYS   6   0.064   2.945  -4.686
   39    HA   LYS   6           HA       LYS   6   0.834   0.335  -5.736
   40    HB2  LYS   6           1HB      LYS   6   2.653   2.555  -6.481
   41    HB3  LYS   6           2HB      LYS   6   2.295   1.059  -7.333
   42    HG2  LYS   6           1HG      LYS   6   0.072   2.038  -7.935
   43    HG3  LYS   6           2HG      LYS   6   0.637   3.567  -7.260
   44    HD2  LYS   6           1HD      LYS   6   1.098   3.770  -9.536
   45    HD3  LYS   6           2HD      LYS   6   2.646   3.280  -8.845
   46    HE2  LYS   6           1HE      LYS   6   2.192   0.961  -9.482
   47    HE3  LYS   6           2HE      LYS   6   0.646   1.452 -10.172
   48    HZ1  LYS   6           3HZ      LYS   6   3.102   2.755 -11.114
   49    HZ2  LYS   6           1HZ      LYS   6   1.651   2.475 -11.937
   50    HZ3  LYS   6           2HZ      LYS   6   2.735   1.203 -11.675
   51    H    CYS   7           H        CYS   7   3.464   0.309  -5.424
   52    HA   CYS   7           HA       CYS   7   4.139   1.489  -2.842
   53    HB2  CYS   7           1HB      CYS   7   4.010  -1.470  -3.399
   54    HB3  CYS   7           2HB      CYS   7   5.023  -0.809  -2.121
   55    HG   CYS   7           HG       CYS   7   2.831   0.384  -0.774
   56    H    THR   8           H        THR   8   6.448   1.196  -2.300
   57    HA   THR   8           HA       THR   8   8.074   1.075  -4.755
   58    HB   THR   8           HB       THR   8   9.574   2.662  -3.837
   59    HG1  THR   8           1HG      THR   8   8.128   2.488  -1.385
   60   HG21  THR   8          3HG2      THR   8   7.251   3.463  -4.590
   61   HG22  THR   8          1HG2      THR   8   8.244   4.583  -3.660
   62   HG23  THR   8          2HG2      THR   8   6.928   3.710  -2.874
   63    H    LYS   9           H        LYS   9   9.781  -0.275  -4.854
   64    HA   LYS   9           HA       LYS   9  10.005  -2.442  -3.106
   65    HB2  LYS   9           1HB      LYS   9  12.205  -2.845  -4.263
   66    HB3  LYS   9           2HB      LYS   9  10.820  -2.677  -5.333
   67    HG2  LYS   9           1HG      LYS   9  11.571  -0.738  -6.231
   68    HG3  LYS   9           2HG      LYS   9  12.359  -0.222  -4.739
   69    HD2  LYS   9           1HD      LYS   9  14.214  -0.706  -5.969
   70    HD3  LYS   9           2HD      LYS   9  13.911  -2.308  -5.292
   71    HE2  LYS   9           1HE      LYS   9  12.687  -1.493  -7.902
   72    HE3  LYS   9           2HE      LYS   9  14.351  -2.070  -7.833
   73    HZ1  LYS   9           3HZ      LYS   9  12.716  -3.834  -8.308
   74    HZ2  LYS   9           1HZ      LYS   9  12.016  -3.576  -6.790
   75    HZ3  LYS   9           2HZ      LYS   9  13.610  -4.130  -6.901
   76    H    SER  10           H        SER  10  11.538   0.692  -3.079
   77    HA   SER  10           HA       SER  10  13.514  -0.035  -1.112
   78    HB2  SER  10           1HB      SER  10  14.064   2.368  -1.106
   79    HB3  SER  10           2HB      SER  10  13.990   1.731  -2.749
   80    HG   SER  10           HG       SER  10  12.166   3.405  -1.408
   81    H    LYS  11           H        LYS  11  10.268   1.144  -1.118
   82    HA   LYS  11           HA       LYS  11  10.305   1.186   1.812
   83    HB2  LYS  11           1HB      LYS  11  10.320   3.527   0.473
   84    HB3  LYS  11           2HB      LYS  11   8.588   3.219   0.508
   85    HG2  LYS  11           1HG      LYS  11   9.033   4.528   2.400
   86    HG3  LYS  11           2HG      LYS  11   8.840   2.882   3.006
   87    HD2  LYS  11           1HD      LYS  11  10.744   3.516   4.120
   88    HD3  LYS  11           2HD      LYS  11  11.448   2.800   2.668
   89    HE2  LYS  11           1HE      LYS  11  12.540   4.895   3.114
   90    HE3  LYS  11           2HE      LYS  11  11.555   5.062   1.662
   91    HZ1  LYS  11           3HZ      LYS  11  10.612   6.803   2.626
   92    HZ2  LYS  11           1HZ      LYS  11  11.413   6.516   4.087
   93    HZ3  LYS  11           2HZ      LYS  11   9.928   5.770   3.777
   94    H    ASN  12           H        ASN  12   9.027  -0.492   2.276
   95    HA   ASN  12           HA       ASN  12   6.786  -1.210   0.618
   96    HB2  ASN  12           1HB      ASN  12   8.046  -2.995   1.638
   97    HB3  ASN  12           2HB      ASN  12   7.802  -2.312   3.243
   98   HD21  ASN  12          2HD2      ASN  12   6.217  -3.127   4.403
   99   HD22  ASN  12          1HD2      ASN  12   4.871  -4.024   3.796
  100    H    GLU  13           H        GLU  13   5.709   0.907   0.886
  101    HA   GLU  13           HA       GLU  13   3.920   0.827   3.209
  102    HB2  GLU  13           1HB      GLU  13   4.113   3.154   3.630
  103    HB3  GLU  13           2HB      GLU  13   5.756   2.537   3.519
  104    HG2  GLU  13           1HG      GLU  13   5.483   3.259   0.997
  105    HG3  GLU  13           2HG      GLU  13   4.276   4.340   1.688
  106    H    CYS  14           H        CYS  14   1.822   1.184   2.745
  107    HA   CYS  14           HA       CYS  14   0.999   1.230   0.021
  108    HB2  CYS  14           1HB      CYS  14  -0.206   0.748   2.581
  109    HB3  CYS  14           2HB      CYS  14  -1.202   1.881   1.677
  110    HG   CYS  14           HG       CYS  14  -2.124   0.222  -0.106
  111    H    LYS  15           H        LYS  15   1.362   3.032  -1.128
  112    HA   LYS  15           HA       LYS  15   0.809   5.644   0.065
  113    HB2  LYS  15           1HB      LYS  15   1.893   6.555  -1.953
  114    HB3  LYS  15           2HB      LYS  15   2.927   5.412  -1.107
  115    HG2  LYS  15           1HG      LYS  15   2.942   3.954  -2.817
  116    HG3  LYS  15           2HG      LYS  15   1.252   4.258  -3.229
  117    HD2  LYS  15           1HD      LYS  15   2.078   6.529  -4.094
  118    HD3  LYS  15           2HD      LYS  15   3.693   5.819  -4.021
  119    HE2  LYS  15           1HE      LYS  15   3.348   4.593  -5.859
  120    HE3  LYS  15           2HE      LYS  15   1.745   4.089  -5.325
  121    HZ1  LYS  15           3HZ      LYS  15   1.620   5.376  -7.357
  122    HZ2  LYS  15           1HZ      LYS  15   2.407   6.679  -6.619
  123    HZ3  LYS  15           2HZ      LYS  15   0.869   6.212  -6.092
  124    H    TYR  16           H        TYR  16  -1.524   4.478  -0.125
  125    HA   TYR  16           HA       TYR  16  -2.778   4.846  -2.690
  126    HB2  TYR  16           1HB      TYR  16  -4.779   4.056  -1.646
  127    HB3  TYR  16           2HB      TYR  16  -3.452   3.089  -1.014
  128    HD1  TYR  16           2HD      TYR  16  -2.678   3.403   1.300
  129    HD2  TYR  16           1HD      TYR  16  -6.035   5.529  -0.222
  130    HE1  TYR  16           2HE      TYR  16  -3.354   3.969   3.596
  131    HE2  TYR  16           1HE      TYR  16  -6.719   6.101   2.071
  132    HH   TYR  16           HH       TYR  16  -6.357   5.091   4.406
  133    H    LYS  17           H        LYS  17  -5.068   6.035  -2.469
  134    HA   LYS  17           HA       LYS  17  -4.528   8.700  -1.330
  135    HB2  LYS  17           1HB      LYS  17  -5.735   9.683  -3.216
  136    HB3  LYS  17           2HB      LYS  17  -4.358   8.740  -3.774
  137    HG2  LYS  17           1HG      LYS  17  -6.498   6.954  -3.751
  138    HG3  LYS  17           2HG      LYS  17  -7.152   8.458  -4.403
  139    HD2  LYS  17           1HD      LYS  17  -4.545   7.366  -5.395
  140    HD3  LYS  17           2HD      LYS  17  -6.075   6.750  -6.022
  141    HE2  LYS  17           1HE      LYS  17  -6.571   8.691  -7.103
  142    HE3  LYS  17           2HE      LYS  17  -5.735   9.693  -5.915
  143    HZ1  LYS  17           3HZ      LYS  17  -4.317   9.866  -7.668
  144    HZ2  LYS  17           1HZ      LYS  17  -4.669   8.326  -8.274
  145    HZ3  LYS  17           2HZ      LYS  17  -3.654   8.493  -6.933
  146    H    ASN  18           H        ASN  18  -6.144   9.680  -0.206
  147    HA   ASN  18           HA       ASN  18  -8.714   8.251  -0.029
  148    HB2  ASN  18           1HB      ASN  18  -8.743   8.369   2.283
  149    HB3  ASN  18           2HB      ASN  18  -7.027   8.113   1.978
  150   HD21  ASN  18          2HD2      ASN  18  -5.839  10.282   1.566
  151   HD22  ASN  18          1HD2      ASN  18  -6.162  11.518   2.730
  152    H    ASP  19           H        ASP  19 -10.416   9.710   1.064
  153    HA   ASP  19           HA       ASP  19 -11.661  11.623   1.095
  154    HB2  ASP  19           1HB      ASP  19  -9.372  12.617   1.811
  155    HB3  ASP  19           2HB      ASP  19  -9.296  13.220   0.158
  156    H    ALA  20           H        ALA  20  -9.329  12.277  -1.521
  157    HA   ALA  20           HA       ALA  20 -11.002  11.540  -3.642
  158    HB1  ALA  20           1HB      ALA  20 -11.571  13.865  -4.459
  159    HB2  ALA  20           2HB      ALA  20 -12.496  13.277  -3.076
  160    HB3  ALA  20           3HB      ALA  20 -11.183  14.431  -2.833
  161    H    GLY  21           H        GLY  21  -8.278  11.313  -2.985
  162    HA2  GLY  21           1HA      GLY  21  -6.634  11.225  -4.826
  163    HA3  GLY  21           2HA      GLY  21  -7.054  12.899  -5.159
  164    H    LYS  22           H        LYS  22  -6.980  12.246  -1.850
  165    HA   LYS  22           HA       LYS  22  -4.560  13.811  -1.550
  166    HB2  LYS  22           1HB      LYS  22  -6.613  12.752   0.384
  167    HB3  LYS  22           2HB      LYS  22  -5.129  13.518   0.934
  168    HG2  LYS  22           1HG      LYS  22  -6.331  15.195  -1.022
  169    HG3  LYS  22           2HG      LYS  22  -7.557  14.738   0.162
  170    HD2  LYS  22           1HD      LYS  22  -6.618  16.644   1.099
  171    HD3  LYS  22           2HD      LYS  22  -5.749  15.340   1.913
  172    HE2  LYS  22           1HE      LYS  22  -4.068  15.637  -0.072
  173    HE3  LYS  22           2HE      LYS  22  -4.805  17.233  -0.194
  174    HZ1  LYS  22           3HZ      LYS  22  -4.280  16.878   2.478
  175    HZ2  LYS  22           1HZ      LYS  22  -3.419  17.857   1.401
  176    HZ3  LYS  22           2HZ      LYS  22  -2.911  16.271   1.693
  177    H    ASP  23           H        ASP  23  -2.607  12.958  -1.349
  178    HA   ASP  23           HA       ASP  23  -2.000  10.267  -1.411
  179    HB2  ASP  23           1HB      ASP  23  -0.434  12.639  -0.410
  180    HB3  ASP  23           2HB      ASP  23   0.250  11.015  -0.418
  181    H    THR  24           H        THR  24  -1.517   8.703   0.092
  182    HA   THR  24           HA       THR  24  -1.720   9.340   2.930
  183    HB   THR  24           HB       THR  24  -3.407   7.098   1.841
  184    HG1  THR  24           1HG      THR  24  -4.008   9.848   2.073
  185   HG21  THR  24          3HG2      THR  24  -4.625   7.853   4.074
  186   HG22  THR  24          1HG2      THR  24  -3.013   8.451   4.462
  187   HG23  THR  24          2HG2      THR  24  -3.256   6.743   4.097
  188    H    PHE  25           H        PHE  25  -0.353   8.157   4.123
  189    HA   PHE  25           HA       PHE  25   0.670   5.638   3.011
  190    HB2  PHE  25           1HB      PHE  25   2.447   7.647   4.392
  191    HB3  PHE  25           2HB      PHE  25   2.931   6.202   3.511
  192    HD1  PHE  25           1HD      PHE  25   1.606   9.619   3.171
  193    HD2  PHE  25           2HD      PHE  25   3.194   6.225   1.153
  194    HE1  PHE  25           1HE      PHE  25   1.870  10.963   1.127
  195    HE2  PHE  25           2HE      PHE  25   3.462   7.563  -0.894
  196    HZ   PHE  25           HZ       PHE  25   2.800   9.935  -0.909
  197    H    ILE  26           H        ILE  26   1.297   4.083   4.522
  198    HA   ILE  26           HA       ILE  26   1.359   4.562   7.322
  199    HB   ILE  26           HB       ILE  26  -1.107   4.706   6.879
  200   HG12  ILE  26          1HG1      ILE  26  -0.680   2.272   8.547
  201   HG13  ILE  26          2HG1      ILE  26   0.168   3.743   9.009
  202   HG21  ILE  26          1HG2      ILE  26  -1.524   1.855   6.708
  203   HG22  ILE  26          2HG2      ILE  26  -2.196   3.151   5.722
  204   HG23  ILE  26          3HG2      ILE  26  -0.628   2.457   5.314
  205   HD11  ILE  26          3HD1      ILE  26  -2.798   3.326   8.788
  206   HD12  ILE  26          1HD1      ILE  26  -1.854   3.665  10.238
  207   HD13  ILE  26          2HD1      ILE  26  -2.047   4.906   9.000
  208    H    LYS  27           H        LYS  27   3.010   3.282   5.406
  209    HA   LYS  27           HA       LYS  27   4.232   1.391   5.076
  210    HB2  LYS  27           1HB      LYS  27   3.585   1.518   7.889
  211    HB3  LYS  27           2HB      LYS  27   3.729  -0.155   7.366
  212    HG2  LYS  27           1HG      LYS  27   5.942   0.537   6.311
  213    HG3  LYS  27           2HG      LYS  27   5.793   2.019   7.261
  214    HD2  LYS  27           1HD      LYS  27   5.961   0.880   9.287
  215    HD3  LYS  27           2HD      LYS  27   5.531  -0.671   8.561
  216    HE2  LYS  27           1HE      LYS  27   7.644  -0.993   7.686
  217    HE3  LYS  27           2HE      LYS  27   8.022   0.730   7.690
  218    HZ1  LYS  27           3HZ      LYS  27   7.995  -1.139   9.984
  219    HZ2  LYS  27           1HZ      LYS  27   7.968   0.539  10.196
  220    HZ3  LYS  27           2HZ      LYS  27   9.278  -0.193   9.416
  221    H    CYS  28           H        CYS  28   4.077  -1.163   5.305
  222    HA   CYS  28           HA       CYS  28   1.335  -1.985   4.626
  223    HB2  CYS  28           1HB      CYS  28   3.644  -1.948   2.904
  224    HB3  CYS  28           2HB      CYS  28   3.091  -3.603   3.128
  225    HG   CYS  28           HG       CYS  28   1.365  -0.987   1.781
  226    HA   PRO  29           HA       PRO  29   1.961  -5.271   7.475
  227    HB2  PRO  29           1HB      PRO  29   0.221  -7.098   6.471
  228    HB3  PRO  29           2HB      PRO  29  -0.302  -5.642   7.326
  229    HG2  PRO  29           1HG      PRO  29  -0.157  -6.161   4.382
  230    HG3  PRO  29           2HG      PRO  29  -1.434  -5.361   5.315
  231    HD2  PRO  29           1HD      PRO  29   0.419  -3.982   3.902
  232    HD3  PRO  29           2HD      PRO  29  -0.289  -3.362   5.408
  233    H    LYS  30           H        LYS  30   4.191  -5.435   6.360
  234    HA   LYS  30           HA       LYS  30   4.463  -8.181   5.385
  235    HB2  LYS  30           1HB      LYS  30   5.953  -5.885   4.113
  236    HB3  LYS  30           2HB      LYS  30   5.940  -7.567   3.600
  237    HG2  LYS  30           1HG      LYS  30   3.532  -5.761   3.564
  238    HG3  LYS  30           2HG      LYS  30   4.577  -6.071   2.175
  239    HD2  LYS  30           1HD      LYS  30   3.814  -8.208   1.905
  240    HD3  LYS  30           2HD      LYS  30   3.458  -8.414   3.622
  241    HE2  LYS  30           1HE      LYS  30   1.678  -6.498   3.019
  242    HE3  LYS  30           2HE      LYS  30   1.791  -7.296   1.450
  243    HZ1  LYS  30           3HZ      LYS  30   1.114  -8.600   4.032
  244    HZ2  LYS  30           1HZ      LYS  30   1.284  -9.405   2.553
  245    HZ3  LYS  30           2HZ      LYS  30   0.042  -8.276   2.764
  246    H    PHE  31           H        PHE  31   5.013  -8.092   7.805
  247    HA   PHE  31           HA       PHE  31   7.585  -6.996   8.485
  248    HB2  PHE  31           1HB      PHE  31   5.499  -8.588   9.924
  249    HB3  PHE  31           2HB      PHE  31   7.124  -8.498  10.597
  250    HD1  PHE  31           2HD      PHE  31   4.218  -6.470   9.548
  251    HD2  PHE  31           1HD      PHE  31   7.858  -6.590  11.751
  252    HE1  PHE  31           2HE      PHE  31   3.673  -4.295  10.561
  253    HE2  PHE  31           1HE      PHE  31   7.317  -4.417  12.769
  254    HZ   PHE  31           HZ       PHE  31   5.223  -3.265  12.174
  255    H    ASP  32           H        ASP  32   8.980  -8.012   6.995
  256    HA   ASP  32           HA       ASP  32  10.381  -9.623   6.196
  257    HB2  ASP  32           1HB      ASP  32  10.170 -10.990   8.863
  258    HB3  ASP  32           2HB      ASP  32  11.578 -10.809   7.821
  259    H    ASN  33           H        ASN  33   8.878 -10.497   4.710
  260    HA   ASN  33           HA       ASN  33   8.515 -13.261   4.856
  261    HB2  ASN  33           1HB      ASN  33   6.647 -12.049   6.447
  262    HB3  ASN  33           2HB      ASN  33   5.779 -12.178   4.919
  263   HD21  ASN  33          2HD2      ASN  33   4.354 -13.718   5.608
  264   HD22  ASN  33          1HD2      ASN  33   4.818 -15.342   5.974
  265    H    LYS  34           H        LYS  34   7.397 -10.201   3.554
  266    HA   LYS  34           HA       LYS  34   7.911 -10.934   0.888
  267    HB2  LYS  34           1HB      LYS  34   5.896 -12.323   1.188
  268    HB3  LYS  34           2HB      LYS  34   4.981 -10.890   1.638
  269    HG2  LYS  34           1HG      LYS  34   4.488 -10.557  -0.490
  270    HG3  LYS  34           2HG      LYS  34   6.204 -10.344  -0.846
  271    HD2  LYS  34           1HD      LYS  34   6.415 -12.796  -1.102
  272    HD3  LYS  34           2HD      LYS  34   4.675 -12.947  -0.844
  273    HE2  LYS  34           1HE      LYS  34   4.310 -12.546  -2.997
  274    HE3  LYS  34           2HE      LYS  34   5.119 -10.985  -2.855
  275    HZ1  LYS  34           3HZ      LYS  34   7.226 -12.066  -3.288
  276    HZ2  LYS  34           1HZ      LYS  34   6.141 -12.387  -4.546
  277    HZ3  LYS  34           2HZ      LYS  34   6.469 -13.576  -3.390
  278    H    LYS  35           H        LYS  35   8.921  -8.836   1.699
  279    HA   LYS  35           HA       LYS  35   7.217  -6.521   1.790
  280    HB2  LYS  35           1HB      LYS  35  10.206  -6.903   1.766
  281    HB3  LYS  35           2HB      LYS  35   9.468  -5.306   1.718
  282    HG2  LYS  35           1HG      LYS  35   8.291  -5.861   3.840
  283    HG3  LYS  35           2HG      LYS  35   9.220  -7.360   3.904
  284    HD2  LYS  35           1HD      LYS  35  11.150  -5.440   3.476
  285    HD3  LYS  35           2HD      LYS  35  10.015  -4.632   4.561
  286    HE2  LYS  35           1HE      LYS  35  10.184  -6.456   6.144
  287    HE3  LYS  35           2HE      LYS  35  11.228  -7.352   5.042
  288    HZ1  LYS  35           3HZ      LYS  35  12.181  -5.865   6.989
  289    HZ2  LYS  35           1HZ      LYS  35  12.085  -4.668   5.797
  290    HZ3  LYS  35           2HZ      LYS  35  13.005  -6.060   5.525
  291    H    CYS  36           H        CYS  36   7.661  -4.629   0.333
  292    HA   CYS  36           HA       CYS  36   6.998  -5.179  -2.282
  293    HB2  CYS  36           1HB      CYS  36   7.060  -2.926  -0.930
  294    HB3  CYS  36           2HB      CYS  36   8.643  -2.752  -1.677
  295    HG   CYS  36           HG       CYS  36   7.852  -2.192  -4.102
  296    H    THR  37           H        THR  37   8.054  -5.928  -3.996
  297    HA   THR  37           HA       THR  37  10.986  -5.700  -4.066
  298    HB   THR  37           HB       THR  37  11.125  -7.959  -5.056
  299    HG1  THR  37           1HG      THR  37   9.231  -9.302  -4.851
  300   HG21  THR  37          3HG2      THR  37  10.623  -7.297  -2.348
  301   HG22  THR  37          1HG2      THR  37  11.544  -8.659  -2.983
  302   HG23  THR  37          2HG2      THR  37   9.816  -8.830  -2.674
  303    H    LYS  38           H        LYS  38   9.180  -3.977  -5.354
  304    HA   LYS  38           HA       LYS  38  10.152  -4.101  -8.014
  305    HB2  LYS  38           1HB      LYS  38   8.064  -5.764  -7.759
  306    HB3  LYS  38           2HB      LYS  38   7.186  -4.269  -8.050
  307    HG2  LYS  38           1HG      LYS  38   8.703  -3.979 -10.083
  308    HG3  LYS  38           2HG      LYS  38   9.132  -5.674  -9.845
  309    HD2  LYS  38           1HD      LYS  38   6.604  -6.111  -9.840
  310    HD3  LYS  38           2HD      LYS  38   6.454  -4.487 -10.515
  311    HE2  LYS  38           1HE      LYS  38   6.710  -5.480 -12.503
  312    HE3  LYS  38           2HE      LYS  38   8.417  -5.597 -12.073
  313    HZ1  LYS  38           3HZ      LYS  38   6.395  -7.690 -11.486
  314    HZ2  LYS  38           1HZ      LYS  38   8.066  -7.801 -11.246
  315    HZ3  LYS  38           2HZ      LYS  38   7.441  -7.719 -12.815
  316    H    ASP  39           H        ASP  39   9.845  -2.175  -9.123
  317    HA   ASP  39           HA       ASP  39   9.242   0.098  -7.519
  318    HB2  ASP  39           1HB      ASP  39  10.129  -0.377 -10.318
  319    HB3  ASP  39           2HB      ASP  39   9.377   1.176  -9.964
  320    H    ASN  40           H        ASN  40   7.316   0.934  -7.103
  321    HA   ASN  40           HA       ASN  40   5.108   1.461  -7.232
  322    HB2  ASN  40           1HB      ASN  40   5.948   1.470 -10.108
  323    HB3  ASN  40           2HB      ASN  40   4.244   1.662  -9.706
  324   HD21  ASN  40          2HD2      ASN  40   7.144   2.825  -8.050
  325   HD22  ASN  40          1HD2      ASN  40   6.743   4.503  -8.154
  326    H    ASN  41           H        ASN  41   5.367  -1.044  -6.496
  327    HA   ASN  41           HA       ASN  41   4.306  -3.046  -8.145
  328    HB2  ASN  41           1HB      ASN  41   5.200  -2.833  -5.473
  329    HB3  ASN  41           2HB      ASN  41   3.572  -3.498  -5.401
  330   HD21  ASN  41          2HD2      ASN  41   6.500  -4.503  -5.164
  331   HD22  ASN  41          1HD2      ASN  41   6.463  -5.983  -6.056
  332    H    LYS  42           H        LYS  42   2.199  -4.206  -6.844
  333    HA   LYS  42           HA       LYS  42   0.040  -2.252  -7.290
  334    HB2  LYS  42           1HB      LYS  42   0.449  -4.576  -8.639
  335    HB3  LYS  42           2HB      LYS  42  -0.620  -5.130  -7.356
  336    HG2  LYS  42           1HG      LYS  42  -2.375  -3.798  -8.066
  337    HG3  LYS  42           2HG      LYS  42  -1.315  -2.705  -8.962
  338    HD2  LYS  42           1HD      LYS  42  -2.384  -3.964 -10.621
  339    HD3  LYS  42           2HD      LYS  42  -0.802  -4.727 -10.450
  340    HE2  LYS  42           1HE      LYS  42  -1.841  -6.390  -8.919
  341    HE3  LYS  42           2HE      LYS  42  -3.411  -5.670  -9.269
  342    HZ1  LYS  42           3HZ      LYS  42  -1.922  -6.354 -11.628
  343    HZ2  LYS  42           1HZ      LYS  42  -3.524  -6.715 -11.218
  344    HZ3  LYS  42           2HZ      LYS  42  -2.267  -7.695 -10.655
  345    H    CYS  43           H        CYS  43  -0.880  -1.590  -5.472
  346    HA   CYS  43           HA       CYS  43  -1.232  -3.536  -3.289
  347    HB2  CYS  43           1HB      CYS  43  -0.817  -1.857  -1.668
  348    HB3  CYS  43           2HB      CYS  43   0.462  -1.687  -2.865
  349    HG   CYS  43           HG       CYS  43  -2.343   0.260  -2.949
  350    H    THR  44           H        THR  44  -2.931  -2.472  -1.651
  351    HA   THR  44           HA       THR  44  -5.030  -0.914  -2.653
  352    HB   THR  44           HB       THR  44  -6.561  -3.219  -2.548
  353    HG1  THR  44           1HG      THR  44  -5.543  -4.729  -3.793
  354   HG21  THR  44          3HG2      THR  44  -6.103  -2.747  -5.254
  355   HG22  THR  44          1HG2      THR  44  -5.808  -1.194  -4.474
  356   HG23  THR  44          2HG2      THR  44  -7.353  -2.013  -4.252
  357    H    VAL  45           H        VAL  45  -6.197  -0.231  -0.965
  358    HA   VAL  45           HA       VAL  45  -6.218  -1.892   1.470
  359    HB   VAL  45           HB       VAL  45  -6.037   1.118   1.297
  360   HG11  VAL  45          1HG1      VAL  45  -7.339   0.809   3.178
  361   HG12  VAL  45          2HG1      VAL  45  -6.588  -0.738   3.573
  362   HG13  VAL  45          3HG1      VAL  45  -5.712   0.767   3.855
  363   HG21  VAL  45          3HG2      VAL  45  -3.909   0.579   2.666
  364   HG22  VAL  45          1HG2      VAL  45  -4.088  -1.044   1.997
  365   HG23  VAL  45          2HG2      VAL  45  -3.882   0.336   0.919
  366    H    ASP  46           H        ASP  46  -8.109  -2.005   2.634
  367    HA   ASP  46           HA       ASP  46 -10.475  -0.839   1.324
  368    HB2  ASP  46           1HB      ASP  46 -10.115  -3.423   1.539
  369    HB3  ASP  46           2HB      ASP  46 -10.633  -3.169   3.204
  370    H    THR  47           H        THR  47 -11.940   0.306   2.502
  371    HA   THR  47           HA       THR  47 -11.055   1.365   5.018
  372    HB   THR  47           HB       THR  47 -12.895   2.861   4.905
  373    HG1  THR  47           1HG      THR  47 -14.755   2.233   4.127
  374   HG21  THR  47          3HG2      THR  47 -12.229   4.007   3.082
  375   HG22  THR  47          1HG2      THR  47 -12.576   2.666   1.990
  376   HG23  THR  47          2HG2      THR  47 -11.065   2.696   2.899
  377    H    TYR  48           H        TYR  48 -12.850  -1.338   4.116
  378    HA   TYR  48           HA       TYR  48 -14.867  -1.557   5.979
  379    HB2  TYR  48           1HB      TYR  48 -14.338  -3.177   4.125
  380    HB3  TYR  48           2HB      TYR  48 -13.065  -3.836   5.146
  381    HD1  TYR  48           2HD      TYR  48 -13.821  -4.633   7.521
  382    HD2  TYR  48           1HD      TYR  48 -16.465  -4.094   4.231
  383    HE1  TYR  48           2HE      TYR  48 -15.451  -6.132   8.592
  384    HE2  TYR  48           1HE      TYR  48 -18.102  -5.590   5.294
  385    HH   TYR  48           HH       TYR  48 -17.367  -7.625   7.817
  386    H    ASN  49           H        ASN  49 -11.511  -2.704   6.355
  387    HA   ASN  49           HA       ASN  49 -11.597  -2.067   9.182
  388    HB2  ASN  49           1HB      ASN  49 -11.039  -4.284   9.959
  389    HB3  ASN  49           2HB      ASN  49 -12.528  -4.379   9.024
  390   HD21  ASN  49          2HD2      ASN  49 -12.091  -4.781   6.605
  391   HD22  ASN  49          1HD2      ASN  49 -10.962  -6.043   6.261
  392    H    ASN  50           H        ASN  50 -10.116  -0.976   7.057
  393    HA   ASN  50           HA       ASN  50  -7.999  -0.446   6.398
  394    HB2  ASN  50           1HB      ASN  50  -8.106  -0.135   9.050
  395    HB3  ASN  50           2HB      ASN  50  -6.874  -1.392   8.987
  396   HD21  ASN  50          2HD2      ASN  50  -7.632   1.465   7.020
  397   HD22  ASN  50          1HD2      ASN  50  -6.042   2.141   7.087
  398    H    ALA  51           H        ALA  51  -8.758  -2.948   5.526
  399    HA   ALA  51           HA       ALA  51  -6.642  -4.840   6.093
  400    HB1  ALA  51           1HB      ALA  51  -8.431  -5.355   3.813
  401    HB2  ALA  51           2HB      ALA  51  -7.975  -6.398   5.161
  402    HB3  ALA  51           3HB      ALA  51  -9.224  -5.173   5.378
  403    H    VAL  52           H        VAL  52  -4.723  -4.053   5.335
  404    HA   VAL  52           HA       VAL  52  -4.487  -2.902   2.705
  405    HB   VAL  52           HB       VAL  52  -2.352  -3.711   4.683
  406   HG11  VAL  52          1HG1      VAL  52  -1.084  -1.944   3.203
  407   HG12  VAL  52          2HG1      VAL  52  -1.156  -3.642   2.727
  408   HG13  VAL  52          3HG1      VAL  52  -2.239  -2.468   1.978
  409   HG21  VAL  52          3HG2      VAL  52  -2.398  -1.584   5.533
  410   HG22  VAL  52          1HG2      VAL  52  -3.046  -0.887   4.048
  411   HG23  VAL  52          2HG2      VAL  52  -4.103  -1.791   5.132
  412    H    ASP  53           H        ASP  53  -3.517  -3.792   0.906
  413    HA   ASP  53           HA       ASP  53  -2.692  -6.601   1.039
  414    HB2  ASP  53           1HB      ASP  53  -5.086  -6.503   0.337
  415    HB3  ASP  53           2HB      ASP  53  -4.599  -5.537  -1.053
  416    H    CYS  54           H        CYS  54  -0.613  -6.437   0.475
  417    HA   CYS  54           HA       CYS  54   0.183  -4.587  -1.636
  418    HB2  CYS  54           1HB      CYS  54   1.390  -5.090   0.686
  419    HB3  CYS  54           2HB      CYS  54   2.156  -6.354  -0.268
  420    HG   CYS  54           HG       CYS  54   4.063  -4.631  -0.686
  421    H    ASP  55           H        ASP  55   1.863  -5.412  -3.211
  422    HA   ASP  55           HA       ASP  55   0.754  -7.625  -4.638
  423    HB2  ASP  55           1HB      ASP  55   2.248  -5.422  -5.334
  424    HB3  ASP  55           2HB      ASP  55   3.415  -6.732  -5.486
  Start of MODEL    7
    1    H1   ALA   1           H        ALA   1 -14.588  -0.691   1.846
    2    HA   ALA   1           HA       ALA   1 -15.334   0.129  -0.804
    3    HB1  ALA   1           1HB      ALA   1 -13.504   2.113   0.373
    4    HB2  ALA   1           2HB      ALA   1 -14.807   2.319  -0.799
    5    HB3  ALA   1           3HB      ALA   1 -15.179   2.198   0.921
    6    H    LYS   2           H        LYS   2 -13.116   0.917  -1.935
    7    HA   LYS   2           HA       LYS   2 -10.855  -0.646  -0.972
    8    HB2  LYS   2           1HB      LYS   2 -12.138  -1.107  -3.671
    9    HB3  LYS   2           2HB      LYS   2 -10.581  -1.759  -3.180
   10    HG2  LYS   2           1HG      LYS   2 -11.879  -3.552  -2.705
   11    HG3  LYS   2           2HG      LYS   2 -12.032  -2.696  -1.168
   12    HD2  LYS   2           1HD      LYS   2 -14.063  -1.552  -2.413
   13    HD3  LYS   2           2HD      LYS   2 -14.012  -3.037  -3.365
   14    HE2  LYS   2           1HE      LYS   2 -13.769  -3.735  -0.622
   15    HE3  LYS   2           2HE      LYS   2 -15.121  -2.616  -0.782
   16    HZ1  LYS   2           3HZ      LYS   2 -14.764  -5.275  -1.996
   17    HZ2  LYS   2           1HZ      LYS   2 -15.773  -4.138  -2.741
   18    HZ3  LYS   2           2HZ      LYS   2 -16.098  -4.651  -1.162
   19    H    TYR   3           H        TYR   3  -8.879  -0.234  -2.246
   20    HA   TYR   3           HA       TYR   3  -8.909   2.123  -3.946
   21    HB2  TYR   3           1HB      TYR   3  -7.636   2.048  -1.224
   22    HB3  TYR   3           2HB      TYR   3  -6.992   3.085  -2.491
   23    HD1  TYR   3           2HD      TYR   3  -9.862   2.466  -0.282
   24    HD2  TYR   3           1HD      TYR   3  -8.176   5.057  -3.205
   25    HE1  TYR   3           2HE      TYR   3 -11.532   4.181   0.284
   26    HE2  TYR   3           1HE      TYR   3  -9.840   6.780  -2.647
   27    HH   TYR   3           HH       TYR   3 -12.464   6.135  -0.386
   28    H    THR   4           H        THR   4  -7.382   2.025  -5.482
   29    HA   THR   4           HA       THR   4  -5.481  -0.203  -5.354
   30    HB   THR   4           HB       THR   4  -5.184   0.640  -7.873
   31    HG1  THR   4           1HG      THR   4  -6.968   1.625  -8.648
   32   HG21  THR   4          3HG2      THR   4  -7.561  -0.993  -6.977
   33   HG22  THR   4          1HG2      THR   4  -5.912  -1.607  -7.099
   34   HG23  THR   4          2HG2      THR   4  -6.761  -1.063  -8.547
   35    H    GLY   5           H        GLY   5  -3.394   0.157  -4.982
   36    HA2  GLY   5           1HA      GLY   5  -2.250   2.760  -5.740
   37    HA3  GLY   5           2HA      GLY   5  -2.028   2.160  -4.103
   38    H    LYS   6           H        LYS   6   0.218   2.101  -4.304
   39    HA   LYS   6           HA       LYS   6   1.264  -0.337  -5.341
   40    HB2  LYS   6           1HB      LYS   6   3.005   1.183  -6.735
   41    HB3  LYS   6           2HB      LYS   6   1.585   0.429  -7.448
   42    HG2  LYS   6           1HG      LYS   6   0.335   2.482  -7.227
   43    HG3  LYS   6           2HG      LYS   6   1.691   3.249  -6.396
   44    HD2  LYS   6           1HD      LYS   6   2.802   2.286  -8.743
   45    HD3  LYS   6           2HD      LYS   6   1.216   2.883  -9.238
   46    HE2  LYS   6           1HE      LYS   6   3.367   4.409  -7.778
   47    HE3  LYS   6           2HE      LYS   6   2.815   4.667  -9.432
   48    HZ1  LYS   6           3HZ      LYS   6   0.602   5.218  -8.489
   49    HZ2  LYS   6           1HZ      LYS   6   1.820   6.307  -8.050
   50    HZ3  LYS   6           2HZ      LYS   6   1.279   5.150  -6.941
   51    H    CYS   7           H        CYS   7   3.441  -0.713  -4.701
   52    HA   CYS   7           HA       CYS   7   4.370   1.152  -2.620
   53    HB2  CYS   7           1HB      CYS   7   4.862  -1.824  -2.856
   54    HB3  CYS   7           2HB      CYS   7   5.452  -0.787  -1.563
   55    HG   CYS   7           HG       CYS   7   2.655  -0.082  -0.938
   56    H    THR   8           H        THR   8   6.677   1.373  -2.334
   57    HA   THR   8           HA       THR   8   8.119   1.104  -4.885
   58    HB   THR   8           HB       THR   8   9.399   2.998  -4.352
   59    HG1  THR   8           1HG      THR   8   9.934   3.450  -2.355
   60   HG21  THR   8          3HG2      THR   8   7.824   4.692  -4.219
   61   HG22  THR   8          1HG2      THR   8   6.842   3.828  -3.038
   62   HG23  THR   8          2HG2      THR   8   6.837   3.322  -4.727
   63    H    LYS   9           H        LYS   9  10.108   0.149  -4.975
   64    HA   LYS   9           HA       LYS   9  10.752  -1.850  -3.144
   65    HB2  LYS   9           1HB      LYS   9  13.024  -1.806  -4.301
   66    HB3  LYS   9           2HB      LYS   9  11.620  -2.077  -5.325
   67    HG2  LYS   9           1HG      LYS   9  11.749   0.029  -6.280
   68    HG3  LYS   9           2HG      LYS   9  12.712   0.682  -4.952
   69    HD2  LYS   9           1HD      LYS   9  14.439   0.394  -6.365
   70    HD3  LYS   9           2HD      LYS   9  14.336  -1.297  -5.869
   71    HE2  LYS   9           1HE      LYS   9  12.667  -1.561  -7.792
   72    HE3  LYS   9           2HE      LYS   9  13.258   0.002  -8.352
   73    HZ1  LYS   9           3HZ      LYS   9  14.740  -2.542  -8.112
   74    HZ2  LYS   9           1HZ      LYS   9  15.549  -1.058  -8.199
   75    HZ3  LYS   9           2HZ      LYS   9  14.552  -1.554  -9.472
   76    H    SER  10           H        SER  10  11.426   1.520  -3.073
   77    HA   SER  10           HA       SER  10  13.667   1.346  -1.276
   78    HB2  SER  10           1HB      SER  10  13.675   3.718  -1.293
   79    HB3  SER  10           2HB      SER  10  13.198   3.245  -2.923
   80    HG   SER  10           HG       SER  10  11.924   4.911  -1.530
   81    H    LYS  11           H        LYS  11  10.240   1.391  -0.995
   82    HA   LYS  11           HA       LYS  11  10.398   1.001   1.847
   83    HB2  LYS  11           1HB      LYS  11   8.732   2.895   2.282
   84    HB3  LYS  11           2HB      LYS  11  10.413   3.345   2.028
   85    HG2  LYS  11           1HG      LYS  11   9.868   3.868  -0.330
   86    HG3  LYS  11           2HG      LYS  11   8.173   3.532   0.026
   87    HD2  LYS  11           1HD      LYS  11   8.563   5.914   0.136
   88    HD3  LYS  11           2HD      LYS  11   8.223   5.299   1.754
   89    HE2  LYS  11           1HE      LYS  11  11.017   5.127   1.351
   90    HE3  LYS  11           2HE      LYS  11  10.508   6.729   0.820
   91    HZ1  LYS  11           3HZ      LYS  11   9.785   7.291   2.907
   92    HZ2  LYS  11           1HZ      LYS  11  11.104   6.306   3.295
   93    HZ3  LYS  11           2HZ      LYS  11   9.532   5.689   3.389
   94    H    ASN  12           H        ASN  12   8.950  -0.507   2.321
   95    HA   ASN  12           HA       ASN  12   6.890  -1.204   0.435
   96    HB2  ASN  12           1HB      ASN  12   8.103  -2.967   1.603
   97    HB3  ASN  12           2HB      ASN  12   7.560  -2.341   3.157
   98   HD21  ASN  12          2HD2      ASN  12   5.829  -3.241   4.005
   99   HD22  ASN  12          1HD2      ASN  12   4.644  -4.165   3.153
  100    H    GLU  13           H        GLU  13   5.808   0.931   0.640
  101    HA   GLU  13           HA       GLU  13   3.773   0.797   2.749
  102    HB2  GLU  13           1HB      GLU  13   3.876   3.216   3.075
  103    HB3  GLU  13           2HB      GLU  13   5.422   2.468   3.451
  104    HG2  GLU  13           1HG      GLU  13   6.039   4.340   2.259
  105    HG3  GLU  13           2HG      GLU  13   6.054   3.078   1.028
  106    H    CYS  14           H        CYS  14   1.841   2.115   2.237
  107    HA   CYS  14           HA       CYS  14   1.308   2.013  -0.648
  108    HB2  CYS  14           1HB      CYS  14  -0.132   0.657   0.880
  109    HB3  CYS  14           2HB      CYS  14  -0.680   2.153   1.627
  110    HG   CYS  14           HG       CYS  14  -1.209   2.683  -1.467
  111    H    LYS  15           H        LYS  15   1.745   3.934  -1.544
  112    HA   LYS  15           HA       LYS  15   1.036   6.390  -0.129
  113    HB2  LYS  15           1HB      LYS  15   2.288   7.523  -1.938
  114    HB3  LYS  15           2HB      LYS  15   3.257   6.324  -1.091
  115    HG2  LYS  15           1HG      LYS  15   3.385   4.943  -2.896
  116    HG3  LYS  15           2HG      LYS  15   1.829   5.467  -3.546
  117    HD2  LYS  15           1HD      LYS  15   3.233   6.471  -5.045
  118    HD3  LYS  15           2HD      LYS  15   3.122   7.754  -3.838
  119    HE2  LYS  15           1HE      LYS  15   5.242   7.352  -3.025
  120    HE3  LYS  15           2HE      LYS  15   5.253   5.680  -3.582
  121    HZ1  LYS  15           3HZ      LYS  15   6.722   7.189  -4.863
  122    HZ2  LYS  15           1HZ      LYS  15   5.351   8.028  -5.395
  123    HZ3  LYS  15           2HZ      LYS  15   5.565   6.404  -5.816
  124    H    TYR  16           H        TYR  16  -1.258   5.294  -0.652
  125    HA   TYR  16           HA       TYR  16  -2.242   6.018  -3.281
  126    HB2  TYR  16           1HB      TYR  16  -4.250   4.922  -2.682
  127    HB3  TYR  16           2HB      TYR  16  -2.968   3.955  -1.962
  128    HD1  TYR  16           2HD      TYR  16  -2.462   4.301   0.512
  129    HD2  TYR  16           1HD      TYR  16  -5.977   5.799  -1.359
  130    HE1  TYR  16           2HE      TYR  16  -3.540   4.505   2.713
  131    HE2  TYR  16           1HE      TYR  16  -7.065   6.007   0.836
  132    HH   TYR  16           HH       TYR  16  -5.976   6.306   3.408
  133    H    LYS  17           H        LYS  17  -4.716   6.963  -2.920
  134    HA   LYS  17           HA       LYS  17  -4.422   9.402  -1.300
  135    HB2  LYS  17           1HB      LYS  17  -5.407  10.730  -3.075
  136    HB3  LYS  17           2HB      LYS  17  -3.975   9.907  -3.679
  137    HG2  LYS  17           1HG      LYS  17  -6.036   8.152  -4.244
  138    HG3  LYS  17           2HG      LYS  17  -6.722   9.745  -4.571
  139    HD2  LYS  17           1HD      LYS  17  -4.614  10.220  -5.902
  140    HD3  LYS  17           2HD      LYS  17  -4.259   8.496  -5.769
  141    HE2  LYS  17           1HE      LYS  17  -5.603   8.082  -7.486
  142    HE3  LYS  17           2HE      LYS  17  -6.959   8.778  -6.601
  143    HZ1  LYS  17           3HZ      LYS  17  -5.077  10.200  -8.399
  144    HZ2  LYS  17           1HZ      LYS  17  -6.206  10.985  -7.415
  145    HZ3  LYS  17           2HZ      LYS  17  -6.731   9.945  -8.641
  146    H    ASN  18           H        ASN  18  -6.121   9.868  -0.047
  147    HA   ASN  18           HA       ASN  18  -8.640   8.422  -0.554
  148    HB2  ASN  18           1HB      ASN  18  -8.917   8.002   1.704
  149    HB3  ASN  18           2HB      ASN  18  -7.167   7.888   1.554
  150   HD21  ASN  18          2HD2      ASN  18  -6.044  10.080   1.836
  151   HD22  ASN  18          1HD2      ASN  18  -6.582  11.025   3.179
  152    H    ASP  19           H        ASP  19 -10.519   9.539   0.679
  153    HA   ASP  19           HA       ASP  19 -11.866  11.353   1.000
  154    HB2  ASP  19           1HB      ASP  19  -9.702  12.249   2.123
  155    HB3  ASP  19           2HB      ASP  19  -9.522  13.201   0.652
  156    H    ALA  20           H        ALA  20  -9.361  12.644  -1.185
  157    HA   ALA  20           HA       ALA  20 -10.849  12.339  -3.552
  158    HB1  ALA  20           1HB      ALA  20 -12.389  13.938  -2.681
  159    HB2  ALA  20           2HB      ALA  20 -11.082  15.033  -2.224
  160    HB3  ALA  20           3HB      ALA  20 -11.433  14.742  -3.928
  161    H    GLY  21           H        GLY  21  -8.182  11.963  -2.746
  162    HA2  GLY  21           1HA      GLY  21  -6.371  12.226  -4.375
  163    HA3  GLY  21           2HA      GLY  21  -6.822  13.921  -4.491
  164    H    LYS  22           H        LYS  22  -6.967  12.673  -1.334
  165    HA   LYS  22           HA       LYS  22  -4.746  14.328  -0.525
  166    HB2  LYS  22           1HB      LYS  22  -7.083  13.229   0.709
  167    HB3  LYS  22           2HB      LYS  22  -5.674  12.755   1.647
  168    HG2  LYS  22           1HG      LYS  22  -5.298  15.459   1.067
  169    HG3  LYS  22           2HG      LYS  22  -7.002  15.298   1.498
  170    HD2  LYS  22           1HD      LYS  22  -6.225  13.986   3.521
  171    HD3  LYS  22           2HD      LYS  22  -4.590  14.525   3.127
  172    HE2  LYS  22           1HE      LYS  22  -4.962  16.573   3.944
  173    HE3  LYS  22           2HE      LYS  22  -6.527  16.699   3.142
  174    HZ1  LYS  22           3HZ      LYS  22  -6.148  16.452   5.811
  175    HZ2  LYS  22           1HZ      LYS  22  -6.529  14.868   5.354
  176    HZ3  LYS  22           2HZ      LYS  22  -7.596  16.131   4.997
  177    H    ASP  23           H        ASP  23  -2.747  13.578  -0.799
  178    HA   ASP  23           HA       ASP  23  -1.967  10.940  -1.133
  179    HB2  ASP  23           1HB      ASP  23  -0.661  13.494  -0.766
  180    HB3  ASP  23           2HB      ASP  23   0.217  12.222   0.079
  181    H    THR  24           H        THR  24  -1.881   9.262   0.191
  182    HA   THR  24           HA       THR  24  -1.514   9.746   3.073
  183    HB   THR  24           HB       THR  24  -3.413   7.751   1.825
  184    HG1  THR  24           1HG      THR  24  -3.725  10.221   3.150
  185   HG21  THR  24          3HG2      THR  24  -4.021   7.176   4.127
  186   HG22  THR  24          1HG2      THR  24  -2.769   8.260   4.731
  187   HG23  THR  24          2HG2      THR  24  -2.323   6.824   3.810
  188    H    PHE  25           H        PHE  25  -0.042   8.489   4.066
  189    HA   PHE  25           HA       PHE  25   1.065   6.219   2.547
  190    HB2  PHE  25           1HB      PHE  25   2.571   8.170   4.303
  191    HB3  PHE  25           2HB      PHE  25   3.271   6.756   3.520
  192    HD1  PHE  25           2HD      PHE  25   1.586   9.986   2.836
  193    HD2  PHE  25           1HD      PHE  25   4.075   6.877   1.335
  194    HE1  PHE  25           2HE      PHE  25   2.057  11.334   0.833
  195    HE2  PHE  25           1HE      PHE  25   4.551   8.221  -0.669
  196    HZ   PHE  25           HZ       PHE  25   3.541  10.452  -0.925
  197    H    ILE  26           H        ILE  26   1.366   4.337   3.621
  198    HA   ILE  26           HA       ILE  26   1.442   4.200   6.490
  199    HB   ILE  26           HB       ILE  26  -0.954   4.403   6.238
  200   HG12  ILE  26          1HG1      ILE  26  -1.660   2.296   7.292
  201   HG13  ILE  26          2HG1      ILE  26  -0.167   1.528   6.764
  202   HG21  ILE  26          1HG2      ILE  26  -2.283   2.993   4.862
  203   HG22  ILE  26          2HG2      ILE  26  -0.975   3.612   3.855
  204   HG23  ILE  26          3HG2      ILE  26  -0.904   1.963   4.477
  205   HD11  ILE  26          3HD1      ILE  26   1.063   2.497   8.385
  206   HD12  ILE  26          1HD1      ILE  26   0.111   3.981   8.379
  207   HD13  ILE  26          2HD1      ILE  26  -0.500   2.545   9.199
  208    H    LYS  27           H        LYS  27   2.810   2.623   6.965
  209    HA   LYS  27           HA       LYS  27   3.884   0.855   5.085
  210    HB2  LYS  27           1HB      LYS  27   4.200   1.406   7.899
  211    HB3  LYS  27           2HB      LYS  27   4.238  -0.329   7.612
  212    HG2  LYS  27           1HG      LYS  27   6.065  -0.121   6.105
  213    HG3  LYS  27           2HG      LYS  27   5.931   1.639   6.094
  214    HD2  LYS  27           1HD      LYS  27   7.701   1.281   7.547
  215    HD3  LYS  27           2HD      LYS  27   6.331   1.432   8.650
  216    HE2  LYS  27           1HE      LYS  27   6.857  -0.554   9.493
  217    HE3  LYS  27           2HE      LYS  27   6.459  -1.277   7.936
  218    HZ1  LYS  27           3HZ      LYS  27   8.738  -1.771   8.808
  219    HZ2  LYS  27           1HZ      LYS  27   9.128  -0.145   8.549
  220    HZ3  LYS  27           2HZ      LYS  27   8.696  -1.130   7.244
  221    H    CYS  28           H        CYS  28   3.274  -1.074   4.331
  222    HA   CYS  28           HA       CYS  28   0.734  -2.162   5.155
  223    HB2  CYS  28           1HB      CYS  28   2.670  -3.341   3.159
  224    HB3  CYS  28           2HB      CYS  28   0.939  -3.639   3.281
  225    HG   CYS  28           HG       CYS  28   2.512  -1.399   1.499
  226    HA   PRO  29           HA       PRO  29   2.131  -5.264   7.925
  227    HB2  PRO  29           1HB      PRO  29   0.323  -7.234   7.454
  228    HB3  PRO  29           2HB      PRO  29  -0.083  -5.743   8.311
  229    HG2  PRO  29           1HG      PRO  29  -0.560  -6.471   5.447
  230    HG3  PRO  29           2HG      PRO  29  -1.645  -5.661   6.591
  231    HD2  PRO  29           1HD      PRO  29  -0.233  -4.311   4.716
  232    HD3  PRO  29           2HD      PRO  29  -0.627  -3.613   6.300
  233    H    LYS  30           H        LYS  30   4.154  -5.655   6.816
  234    HA   LYS  30           HA       LYS  30   4.238  -8.333   5.655
  235    HB2  LYS  30           1HB      LYS  30   5.320  -5.850   4.334
  236    HB3  LYS  30           2HB      LYS  30   5.911  -7.457   3.937
  237    HG2  LYS  30           1HG      LYS  30   3.055  -6.536   3.672
  238    HG3  LYS  30           2HG      LYS  30   4.221  -6.669   2.353
  239    HD2  LYS  30           1HD      LYS  30   4.436  -9.088   2.851
  240    HD3  LYS  30           2HD      LYS  30   3.174  -8.917   4.072
  241    HE2  LYS  30           1HE      LYS  30   1.930  -7.804   1.967
  242    HE3  LYS  30           2HE      LYS  30   2.983  -8.938   1.123
  243    HZ1  LYS  30           3HZ      LYS  30   0.777  -9.858   1.702
  244    HZ2  LYS  30           1HZ      LYS  30   1.163  -9.698   3.342
  245    HZ3  LYS  30           2HZ      LYS  30   2.060 -10.742   2.361
  246    H    PHE  31           H        PHE  31   4.990  -8.397   8.013
  247    HA   PHE  31           HA       PHE  31   7.672  -7.434   8.492
  248    HB2  PHE  31           1HB      PHE  31   5.586  -8.841  10.090
  249    HB3  PHE  31           2HB      PHE  31   7.262  -8.995  10.607
  250    HD1  PHE  31           2HD      PHE  31   8.511  -7.048  11.375
  251    HD2  PHE  31           1HD      PHE  31   4.412  -6.760  10.267
  252    HE1  PHE  31           2HE      PHE  31   8.363  -4.867  12.502
  253    HE2  PHE  31           1HE      PHE  31   4.258  -4.576  11.392
  254    HZ   PHE  31           HZ       PHE  31   6.236  -3.629  12.513
  255    H    ASP  32           H        ASP  32   8.557  -8.623   6.615
  256    HA   ASP  32           HA       ASP  32   9.871 -10.275   5.767
  257    HB2  ASP  32           1HB      ASP  32   9.804 -11.639   8.449
  258    HB3  ASP  32           2HB      ASP  32  11.096 -11.633   7.252
  259    H    ASN  33           H        ASN  33   8.212 -11.026   4.406
  260    HA   ASN  33           HA       ASN  33   7.612 -13.752   4.606
  261    HB2  ASN  33           1HB      ASN  33   5.956 -12.336   6.270
  262    HB3  ASN  33           2HB      ASN  33   4.997 -12.423   4.796
  263   HD21  ASN  33          2HD2      ASN  33   4.452 -14.480   3.956
  264   HD22  ASN  33          1HD2      ASN  33   4.416 -15.871   4.980
  265    H    LYS  34           H        LYS  34   6.704 -10.611   3.326
  266    HA   LYS  34           HA       LYS  34   7.009 -11.403   0.646
  267    HB2  LYS  34           1HB      LYS  34   4.744 -12.480   1.437
  268    HB3  LYS  34           2HB      LYS  34   4.122 -10.852   1.208
  269    HG2  LYS  34           1HG      LYS  34   5.520 -11.301  -1.111
  270    HG3  LYS  34           2HG      LYS  34   4.816 -12.881  -0.754
  271    HD2  LYS  34           1HD      LYS  34   3.080 -10.476  -0.517
  272    HD3  LYS  34           2HD      LYS  34   3.494 -11.050  -2.133
  273    HE2  LYS  34           1HE      LYS  34   2.615 -13.103  -0.202
  274    HE3  LYS  34           2HE      LYS  34   1.387 -11.951  -0.724
  275    HZ1  LYS  34           3HZ      LYS  34   2.610 -14.103  -2.180
  276    HZ2  LYS  34           1HZ      LYS  34   2.607 -12.646  -3.040
  277    HZ3  LYS  34           2HZ      LYS  34   1.153 -13.294  -2.469
  278    H    LYS  35           H        LYS  35   8.158  -9.352   1.692
  279    HA   LYS  35           HA       LYS  35   6.594  -6.935   1.576
  280    HB2  LYS  35           1HB      LYS  35   9.592  -7.298   1.751
  281    HB3  LYS  35           2HB      LYS  35   8.718  -5.794   2.012
  282    HG2  LYS  35           1HG      LYS  35   7.931  -6.442   4.061
  283    HG3  LYS  35           2HG      LYS  35   8.016  -8.161   3.672
  284    HD2  LYS  35           1HD      LYS  35   9.742  -7.758   5.238
  285    HD3  LYS  35           2HD      LYS  35  10.534  -7.901   3.667
  286    HE2  LYS  35           1HE      LYS  35  10.609  -5.457   3.493
  287    HE3  LYS  35           2HE      LYS  35   9.827  -5.323   5.067
  288    HZ1  LYS  35           3HZ      LYS  35  12.384  -5.155   4.899
  289    HZ2  LYS  35           1HZ      LYS  35  12.332  -6.843   4.804
  290    HZ3  LYS  35           2HZ      LYS  35  11.698  -6.053   6.159
  291    H    CYS  36           H        CYS  36   7.120  -5.137   0.143
  292    HA   CYS  36           HA       CYS  36   6.930  -5.758  -2.538
  293    HB2  CYS  36           1HB      CYS  36   7.340  -3.433  -2.996
  294    HB3  CYS  36           2HB      CYS  36   6.424  -3.538  -1.497
  295    HG   CYS  36           HG       CYS  36   9.423  -3.558  -0.454
  296    H    THR  37           H        THR  37   8.399  -5.566  -4.301
  297    HA   THR  37           HA       THR  37  11.232  -5.402  -3.801
  298    HB   THR  37           HB       THR  37  10.772  -7.757  -3.205
  299    HG1  THR  37           1HG      THR  37  12.577  -8.360  -4.191
  300   HG21  THR  37          3HG2      THR  37  10.367  -8.870  -5.781
  301   HG22  THR  37          1HG2      THR  37   9.126  -7.643  -5.530
  302   HG23  THR  37          2HG2      THR  37   9.309  -8.963  -4.373
  303    H    LYS  38           H        LYS  38   9.444  -3.896  -5.377
  304    HA   LYS  38           HA       LYS  38  10.841  -3.700  -7.781
  305    HB2  LYS  38           1HB      LYS  38   9.881  -5.733  -8.535
  306    HB3  LYS  38           2HB      LYS  38   8.289  -5.295  -7.929
  307    HG2  LYS  38           1HG      LYS  38   7.909  -3.790  -9.669
  308    HG3  LYS  38           2HG      LYS  38   9.620  -3.711 -10.095
  309    HD2  LYS  38           1HD      LYS  38   8.224  -6.336 -10.276
  310    HD3  LYS  38           2HD      LYS  38   7.916  -5.128 -11.525
  311    HE2  LYS  38           1HE      LYS  38  10.377  -4.947 -11.860
  312    HE3  LYS  38           2HE      LYS  38  10.585  -6.282 -10.727
  313    HZ1  LYS  38           3HZ      LYS  38  10.500  -6.765 -13.243
  314    HZ2  LYS  38           1HZ      LYS  38   8.825  -6.597 -13.067
  315    HZ3  LYS  38           2HZ      LYS  38   9.653  -7.781 -12.187
  316    H    ASP  39           H        ASP  39  10.576  -1.668  -8.426
  317    HA   ASP  39           HA       ASP  39   8.909   0.162  -7.208
  318    HB2  ASP  39           1HB      ASP  39   9.292   1.509  -9.407
  319    HB3  ASP  39           2HB      ASP  39  10.672   1.117  -8.386
  320    H    ASN  40           H        ASN  40   6.802   0.547  -7.283
  321    HA   ASN  40           HA       ASN  40   4.618   0.515  -7.916
  322    HB2  ASN  40           1HB      ASN  40   5.996   0.645 -10.588
  323    HB3  ASN  40           2HB      ASN  40   4.240   0.568 -10.473
  324   HD21  ASN  40          2HD2      ASN  40   6.589   2.228  -8.418
  325   HD22  ASN  40          1HD2      ASN  40   5.959   3.815  -8.680
  326    H    ASN  41           H        ASN  41   4.758  -1.696  -6.915
  327    HA   ASN  41           HA       ASN  41   4.560  -3.897  -8.818
  328    HB2  ASN  41           1HB      ASN  41   5.288  -3.628  -6.030
  329    HB3  ASN  41           2HB      ASN  41   4.053  -4.868  -6.234
  330   HD21  ASN  41          2HD2      ASN  41   6.400  -5.696  -5.345
  331   HD22  ASN  41          1HD2      ASN  41   7.287  -6.531  -6.570
  332    H    LYS  42           H        LYS  42   2.703  -3.377  -5.845
  333    HA   LYS  42           HA       LYS  42   0.230  -2.796  -6.988
  334    HB2  LYS  42           1HB      LYS  42   0.202  -4.897  -8.083
  335    HB3  LYS  42           2HB      LYS  42   0.802  -5.734  -6.657
  336    HG2  LYS  42           1HG      LYS  42  -1.251  -5.700  -5.607
  337    HG3  LYS  42           2HG      LYS  42  -1.832  -4.332  -6.561
  338    HD2  LYS  42           1HD      LYS  42  -1.595  -5.984  -8.564
  339    HD3  LYS  42           2HD      LYS  42  -1.641  -7.222  -7.307
  340    HE2  LYS  42           1HE      LYS  42  -3.705  -5.164  -7.036
  341    HE3  LYS  42           2HE      LYS  42  -3.826  -6.110  -8.519
  342    HZ1  LYS  42           3HZ      LYS  42  -4.942  -7.519  -7.200
  343    HZ2  LYS  42           1HZ      LYS  42  -4.265  -6.914  -5.772
  344    HZ3  LYS  42           2HZ      LYS  42  -3.405  -8.028  -6.710
  345    H    CYS  43           H        CYS  43  -1.318  -2.432  -5.437
  346    HA   CYS  43           HA       CYS  43  -1.015  -3.514  -2.772
  347    HB2  CYS  43           1HB      CYS  43   0.441  -1.349  -3.093
  348    HB3  CYS  43           2HB      CYS  43  -1.106  -0.526  -2.933
  349    HG   CYS  43           HG       CYS  43   0.588  -2.328  -0.602
  350    H    THR  44           H        THR  44  -2.806  -2.820  -1.333
  351    HA   THR  44           HA       THR  44  -5.141  -1.710  -2.671
  352    HB   THR  44           HB       THR  44  -6.007  -4.051  -1.240
  353    HG1  THR  44           1HG      THR  44  -3.743  -4.559  -2.239
  354   HG21  THR  44          3HG2      THR  44  -7.263  -2.761  -2.960
  355   HG22  THR  44          1HG2      THR  44  -7.210  -4.494  -3.282
  356   HG23  THR  44          2HG2      THR  44  -6.163  -3.397  -4.183
  357    H    VAL  45           H        VAL  45  -6.769  -0.998  -1.240
  358    HA   VAL  45           HA       VAL  45  -6.339  -1.285   1.620
  359    HB   VAL  45           HB       VAL  45  -6.325   1.433   0.298
  360   HG11  VAL  45          1HG1      VAL  45  -6.283   0.662   3.213
  361   HG12  VAL  45          2HG1      VAL  45  -6.028   2.293   2.591
  362   HG13  VAL  45          3HG1      VAL  45  -7.585   1.493   2.362
  363   HG21  VAL  45          3HG2      VAL  45  -4.174   0.365   0.096
  364   HG22  VAL  45          1HG2      VAL  45  -4.078   1.620   1.332
  365   HG23  VAL  45          2HG2      VAL  45  -4.190  -0.076   1.804
  366    H    ASP  46           H        ASP  46  -8.260  -1.723   2.456
  367    HA   ASP  46           HA       ASP  46 -10.664  -0.701   1.114
  368    HB2  ASP  46           1HB      ASP  46 -10.191  -3.062   2.926
  369    HB3  ASP  46           2HB      ASP  46 -11.812  -2.472   2.569
  370    H    THR  47           H        THR  47 -12.399   0.152   2.362
  371    HA   THR  47           HA       THR  47 -11.465   1.663   4.667
  372    HB   THR  47           HB       THR  47 -13.586   2.890   4.490
  373    HG1  THR  47           1HG      THR  47 -15.176   2.208   3.222
  374   HG21  THR  47          3HG2      THR  47 -12.187   4.057   3.153
  375   HG22  THR  47          1HG2      THR  47 -13.204   3.423   1.859
  376   HG23  THR  47          2HG2      THR  47 -11.683   2.625   2.257
  377    H    TYR  48           H        TYR  48 -13.225  -1.176   4.024
  378    HA   TYR  48           HA       TYR  48 -15.129  -1.293   6.014
  379    HB2  TYR  48           1HB      TYR  48 -14.978  -3.055   4.391
  380    HB3  TYR  48           2HB      TYR  48 -13.351  -3.475   4.915
  381    HD1  TYR  48           1HD      TYR  48 -16.853  -3.292   6.191
  382    HD2  TYR  48           2HD      TYR  48 -13.057  -5.199   6.441
  383    HE1  TYR  48           1HE      TYR  48 -17.791  -4.940   7.757
  384    HE2  TYR  48           2HE      TYR  48 -13.985  -6.853   8.007
  385    HH   TYR  48           HH       TYR  48 -15.890  -7.687   8.889
  386    H    ASN  49           H        ASN  49 -11.747  -2.402   6.258
  387    HA   ASN  49           HA       ASN  49 -11.694  -1.612   9.052
  388    HB2  ASN  49           1HB      ASN  49 -10.862  -3.824   9.798
  389    HB3  ASN  49           2HB      ASN  49 -12.520  -3.893   9.208
  390   HD21  ASN  49          2HD2      ASN  49 -11.746  -6.226   9.191
  391   HD22  ASN  49          1HD2      ASN  49 -11.086  -6.796   7.699
  392    H    ASN  50           H        ASN  50 -10.377  -0.566   6.797
  393    HA   ASN  50           HA       ASN  50  -8.322   0.004   5.990
  394    HB2  ASN  50           1HB      ASN  50  -7.893  -0.460   8.914
  395    HB3  ASN  50           2HB      ASN  50  -6.496  -0.134   7.892
  396   HD21  ASN  50          2HD2      ASN  50  -6.341   1.866   6.835
  397   HD22  ASN  50          1HD2      ASN  50  -7.237   3.241   7.378
  398    H    ALA  51           H        ALA  51  -8.802  -2.304   4.942
  399    HA   ALA  51           HA       ALA  51  -6.891  -4.337   5.677
  400    HB1  ALA  51           1HB      ALA  51  -8.555  -4.263   3.172
  401    HB2  ALA  51           2HB      ALA  51  -7.866  -5.669   3.985
  402    HB3  ALA  51           3HB      ALA  51  -9.193  -4.780   4.733
  403    H    VAL  52           H        VAL  52  -4.931  -3.126   5.441
  404    HA   VAL  52           HA       VAL  52  -4.179  -2.106   2.854
  405    HB   VAL  52           HB       VAL  52  -2.436  -2.556   5.280
  406   HG11  VAL  52          1HG1      VAL  52  -0.925  -0.976   4.260
  407   HG12  VAL  52          2HG1      VAL  52  -1.240  -2.292   3.128
  408   HG13  VAL  52          3HG1      VAL  52  -2.035  -0.732   2.911
  409   HG21  VAL  52          3HG2      VAL  52  -2.966   0.171   4.970
  410   HG22  VAL  52          1HG2      VAL  52  -4.524  -0.636   4.785
  411   HG23  VAL  52          2HG2      VAL  52  -3.563  -0.896   6.241
  412    H    ASP  53           H        ASP  53  -4.145  -3.769   1.385
  413    HA   ASP  53           HA       ASP  53  -2.753  -6.233   1.948
  414    HB2  ASP  53           1HB      ASP  53  -4.688  -5.356   0.062
  415    HB3  ASP  53           2HB      ASP  53  -3.286  -5.917  -0.845
  416    H    CYS  54           H        CYS  54  -1.408  -6.885  -0.280
  417    HA   CYS  54           HA       CYS  54   0.353  -4.853  -1.217
  418    HB2  CYS  54           1HB      CYS  54   1.003  -5.901   1.296
  419    HB3  CYS  54           2HB      CYS  54   2.075  -6.726   0.171
  420    HG   CYS  54           HG       CYS  54   3.314  -4.488  -0.781
  421    H    ASP  55           H        ASP  55   1.584  -5.536  -2.945
  422    HA   ASP  55           HA       ASP  55   0.716  -7.674  -4.454
  423    HB2  ASP  55           1HB      ASP  55   2.229  -6.975  -5.988
  424    HB3  ASP  55           2HB      ASP  55   2.443  -5.623  -4.879
  Start of MODEL    8
    1    H1   ALA   1           H        ALA   1 -15.563   1.467  -1.072
    2    HA   ALA   1           HA       ALA   1 -14.826   4.051  -1.395
    3    HB1  ALA   1           1HB      ALA   1 -14.148   4.707   0.980
    4    HB2  ALA   1           2HB      ALA   1 -15.854   4.841   0.553
    5    HB3  ALA   1           3HB      ALA   1 -15.290   3.473   1.513
    6    H    LYS   2           H        LYS   2 -13.810   1.648  -2.150
    7    HA   LYS   2           HA       LYS   2 -11.529   0.928  -0.546
    8    HB2  LYS   2           1HB      LYS   2 -12.079   0.118  -3.400
    9    HB3  LYS   2           2HB      LYS   2 -11.066  -0.711  -2.225
   10    HG2  LYS   2           1HG      LYS   2 -13.111  -1.144  -0.871
   11    HG3  LYS   2           2HG      LYS   2 -14.065  -0.470  -2.195
   12    HD2  LYS   2           1HD      LYS   2 -12.127  -2.724  -2.626
   13    HD3  LYS   2           2HD      LYS   2 -13.788  -3.014  -2.105
   14    HE2  LYS   2           1HE      LYS   2 -14.663  -2.019  -4.084
   15    HE3  LYS   2           2HE      LYS   2 -13.077  -1.409  -4.552
   16    HZ1  LYS   2           3HZ      LYS   2 -12.541  -3.344  -5.485
   17    HZ2  LYS   2           1HZ      LYS   2 -14.187  -3.729  -5.404
   18    HZ3  LYS   2           2HZ      LYS   2 -13.133  -4.257  -4.190
   19    H    TYR   3           H        TYR   3  -9.345   0.756  -1.737
   20    HA   TYR   3           HA       TYR   3  -8.834   3.000  -3.524
   21    HB2  TYR   3           1HB      TYR   3  -7.243   2.694  -0.976
   22    HB3  TYR   3           2HB      TYR   3  -7.147   4.000  -2.152
   23    HD1  TYR   3           2HD      TYR   3  -9.234   5.474  -2.442
   24    HD2  TYR   3           1HD      TYR   3  -8.653   2.876   0.877
   25    HE1  TYR   3           2HE      TYR   3 -10.888   6.760  -1.153
   26    HE2  TYR   3           1HE      TYR   3 -10.306   4.154   2.174
   27    HH   TYR   3           HH       TYR   3 -12.383   6.442   0.757
   28    H    THR   4           H        THR   4  -6.305   3.033  -3.938
   29    HA   THR   4           HA       THR   4  -5.060   0.432  -3.865
   30    HB   THR   4           HB       THR   4  -4.824   1.001  -6.582
   31    HG1  THR   4           1HG      THR   4  -7.591   0.971  -5.992
   32   HG21  THR   4          3HG2      THR   4  -6.890  -0.949  -5.740
   33   HG22  THR   4          1HG2      THR   4  -5.271  -1.170  -5.080
   34   HG23  THR   4          2HG2      THR   4  -5.516  -1.152  -6.826
   35    H    GLY   5           H        GLY   5  -2.848   0.475  -4.436
   36    HA2  GLY   5           1HA      GLY   5  -1.648   2.938  -5.360
   37    HA3  GLY   5           2HA      GLY   5  -1.332   2.577  -3.669
   38    H    LYS   6           H        LYS   6   0.920   2.637  -4.592
   39    HA   LYS   6           HA       LYS   6   1.735  -0.104  -5.158
   40    HB2  LYS   6           1HB      LYS   6   2.860   2.145  -6.816
   41    HB3  LYS   6           2HB      LYS   6   3.036   0.413  -7.068
   42    HG2  LYS   6           1HG      LYS   6   0.552   0.342  -7.491
   43    HG3  LYS   6           2HG      LYS   6   0.594   2.106  -7.515
   44    HD2  LYS   6           1HD      LYS   6   2.685   1.219  -9.185
   45    HD3  LYS   6           2HD      LYS   6   1.265   0.255  -9.593
   46    HE2  LYS   6           1HE      LYS   6  -0.027   2.394  -9.755
   47    HE3  LYS   6           2HE      LYS   6   1.497   3.260  -9.563
   48    HZ1  LYS   6           3HZ      LYS   6   1.731   3.092 -11.748
   49    HZ2  LYS   6           1HZ      LYS   6   0.399   2.058 -11.890
   50    HZ3  LYS   6           2HZ      LYS   6   1.932   1.421 -11.566
   51    H    CYS   7           H        CYS   7   3.802  -0.609  -4.449
   52    HA   CYS   7           HA       CYS   7   4.908   1.259  -2.520
   53    HB2  CYS   7           1HB      CYS   7   5.552  -1.623  -3.159
   54    HB3  CYS   7           2HB      CYS   7   6.397  -0.684  -1.935
   55    HG   CYS   7           HG       CYS   7   3.546  -0.171  -0.899
   56    H    THR   8           H        THR   8   7.422   1.187  -2.377
   57    HA   THR   8           HA       THR   8   8.527   1.558  -5.084
   58    HB   THR   8           HB       THR   8   9.746   3.480  -4.405
   59    HG1  THR   8           1HG      THR   8  10.405   3.506  -2.398
   60   HG21  THR   8          3HG2      THR   8   7.038   3.491  -4.531
   61   HG22  THR   8          1HG2      THR   8   8.026   4.942  -4.359
   62   HG23  THR   8          2HG2      THR   8   7.296   4.198  -2.936
   63    H    LYS   9           H        LYS   9   8.794  -0.862  -3.885
   64    HA   LYS   9           HA       LYS   9  10.346  -2.442  -3.368
   65    HB2  LYS   9           1HB      LYS   9  11.936  -0.233  -4.505
   66    HB3  LYS   9           2HB      LYS   9  12.840  -1.359  -3.500
   67    HG2  LYS   9           1HG      LYS   9  12.140  -3.213  -4.882
   68    HG3  LYS   9           2HG      LYS   9  11.128  -2.139  -5.852
   69    HD2  LYS   9           1HD      LYS   9  12.860  -1.550  -7.122
   70    HD3  LYS   9           2HD      LYS   9  13.828  -1.141  -5.703
   71    HE2  LYS   9           1HE      LYS   9  14.439  -3.497  -5.447
   72    HE3  LYS   9           2HE      LYS   9  13.468  -3.905  -6.860
   73    HZ1  LYS   9           3HZ      LYS   9  15.404  -1.827  -7.339
   74    HZ2  LYS   9           1HZ      LYS   9  15.063  -3.219  -8.240
   75    HZ3  LYS   9           2HZ      LYS   9  16.098  -3.308  -6.905
   76    H    SER  10           H        SER  10  12.302   0.267  -2.221
   77    HA   SER  10           HA       SER  10  12.822  -0.918   0.276
   78    HB2  SER  10           1HB      SER  10  13.860   1.199   0.877
   79    HB3  SER  10           2HB      SER  10  14.268   0.800  -0.791
   80    HG   SER  10           HG       SER  10  12.807   2.897   0.210
   81    H    LYS  11           H        LYS  11  10.625   1.724  -0.630
   82    HA   LYS  11           HA       LYS  11   9.492   1.775   2.046
   83    HB2  LYS  11           1HB      LYS  11   9.700   3.618  -0.124
   84    HB3  LYS  11           2HB      LYS  11   7.995   3.391   0.242
   85    HG2  LYS  11           1HG      LYS  11  10.139   4.221   2.186
   86    HG3  LYS  11           2HG      LYS  11   8.893   5.259   1.488
   87    HD2  LYS  11           1HD      LYS  11   7.490   4.687   3.115
   88    HD3  LYS  11           2HD      LYS  11   7.628   2.989   2.654
   89    HE2  LYS  11           1HE      LYS  11   9.918   4.023   4.162
   90    HE3  LYS  11           2HE      LYS  11   8.398   4.039   5.054
   91    HZ1  LYS  11           3HZ      LYS  11   8.285   1.612   4.028
   92    HZ2  LYS  11           1HZ      LYS  11   9.040   1.936   5.506
   93    HZ3  LYS  11           2HZ      LYS  11   9.967   1.777   4.100
   94    H    ASN  12           H        ASN  12   8.441  -0.197   2.242
   95    HA   ASN  12           HA       ASN  12   6.548  -1.086   0.269
   96    HB2  ASN  12           1HB      ASN  12   7.821  -2.694   1.633
   97    HB3  ASN  12           2HB      ASN  12   7.040  -2.079   3.087
   98   HD21  ASN  12          2HD2      ASN  12   5.773  -3.659   3.767
   99   HD22  ASN  12          1HD2      ASN  12   4.604  -4.496   2.810
  100    H    GLU  13           H        GLU  13   5.607   1.276   0.619
  101    HA   GLU  13           HA       GLU  13   3.391   1.036   2.548
  102    HB2  GLU  13           1HB      GLU  13   3.352   3.437   2.745
  103    HB3  GLU  13           2HB      GLU  13   4.987   2.871   3.060
  104    HG2  GLU  13           1HG      GLU  13   5.498   3.414   0.646
  105    HG3  GLU  13           2HG      GLU  13   3.942   4.241   0.603
  106    H    CYS  14           H        CYS  14   1.331   1.779   1.895
  107    HA   CYS  14           HA       CYS  14   0.871   1.479  -0.960
  108    HB2  CYS  14           1HB      CYS  14  -0.570   0.212   0.510
  109    HB3  CYS  14           2HB      CYS  14  -1.027   1.669   1.385
  110    HG   CYS  14           HG       CYS  14  -1.854   2.444  -1.560
  111    H    LYS  15           H        LYS  15   0.808   3.176  -2.259
  112    HA   LYS  15           HA       LYS  15   0.202   5.816  -1.131
  113    HB2  LYS  15           1HB      LYS  15   2.282   5.853  -2.256
  114    HB3  LYS  15           2HB      LYS  15   1.656   4.930  -3.615
  115    HG2  LYS  15           1HG      LYS  15   0.236   7.433  -3.215
  116    HG3  LYS  15           2HG      LYS  15   1.962   7.658  -3.509
  117    HD2  LYS  15           1HD      LYS  15   0.718   5.683  -5.269
  118    HD3  LYS  15           2HD      LYS  15   0.046   7.308  -5.441
  119    HE2  LYS  15           1HE      LYS  15   1.872   7.054  -6.982
  120    HE3  LYS  15           2HE      LYS  15   2.354   8.177  -5.710
  121    HZ1  LYS  15           3HZ      LYS  15   3.983   6.347  -6.420
  122    HZ2  LYS  15           1HZ      LYS  15   3.009   5.309  -5.503
  123    HZ3  LYS  15           2HZ      LYS  15   3.768   6.629  -4.766
  124    H    TYR  16           H        TYR  16  -1.971   6.054  -1.165
  125    HA   TYR  16           HA       TYR  16  -3.273   5.891  -3.795
  126    HB2  TYR  16           1HB      TYR  16  -5.235   4.894  -2.876
  127    HB3  TYR  16           2HB      TYR  16  -3.871   3.938  -2.304
  128    HD1  TYR  16           2HD      TYR  16  -3.099   4.185   0.053
  129    HD2  TYR  16           1HD      TYR  16  -6.655   6.049  -1.356
  130    HE1  TYR  16           2HE      TYR  16  -3.847   4.497   2.374
  131    HE2  TYR  16           1HE      TYR  16  -7.413   6.368   0.962
  132    HH   TYR  16           HH       TYR  16  -5.785   4.899   3.646
  133    H    LYS  17           H        LYS  17  -5.572   6.984  -3.551
  134    HA   LYS  17           HA       LYS  17  -5.091   9.593  -2.277
  135    HB2  LYS  17           1HB      LYS  17  -5.340   9.656  -4.722
  136    HB3  LYS  17           2HB      LYS  17  -6.913   8.883  -4.586
  137    HG2  LYS  17           1HG      LYS  17  -7.360  10.973  -3.002
  138    HG3  LYS  17           2HG      LYS  17  -6.113  11.677  -4.035
  139    HD2  LYS  17           1HD      LYS  17  -8.412  10.211  -5.262
  140    HD3  LYS  17           2HD      LYS  17  -8.625  11.872  -4.707
  141    HE2  LYS  17           1HE      LYS  17  -7.383  12.721  -6.382
  142    HE3  LYS  17           2HE      LYS  17  -6.213  11.404  -6.315
  143    HZ1  LYS  17           3HZ      LYS  17  -8.039  10.022  -7.392
  144    HZ2  LYS  17           1HZ      LYS  17  -7.256  11.163  -8.366
  145    HZ3  LYS  17           2HZ      LYS  17  -8.795  11.493  -7.747
  146    H    ASN  18           H        ASN  18  -6.444  10.337  -0.752
  147    HA   ASN  18           HA       ASN  18  -8.979   8.908  -0.321
  148    HB2  ASN  18           1HB      ASN  18  -8.619   8.679   1.966
  149    HB3  ASN  18           2HB      ASN  18  -7.014   8.370   1.308
  150   HD21  ASN  18          2HD2      ASN  18  -5.729  10.504   1.000
  151   HD22  ASN  18          1HD2      ASN  18  -5.729  11.553   2.372
  152    H    ASP  19           H        ASP  19 -10.530  10.157   1.023
  153    HA   ASP  19           HA       ASP  19 -11.713  12.038   1.536
  154    HB2  ASP  19           1HB      ASP  19  -9.391  12.783   2.396
  155    HB3  ASP  19           2HB      ASP  19  -9.304  13.730   0.913
  156    H    ALA  20           H        ALA  20  -9.452  13.307  -0.906
  157    HA   ALA  20           HA       ALA  20 -11.122  13.079  -3.123
  158    HB1  ALA  20           1HB      ALA  20 -11.526  15.574  -1.517
  159    HB2  ALA  20           2HB      ALA  20 -11.755  15.576  -3.266
  160    HB3  ALA  20           3HB      ALA  20 -12.728  14.512  -2.250
  161    H    GLY  21           H        GLY  21  -8.378  12.860  -2.547
  162    HA2  GLY  21           1HA      GLY  21  -6.873  13.457  -4.498
  163    HA3  GLY  21           2HA      GLY  21  -7.233  15.122  -4.062
  164    H    LYS  22           H        LYS  22  -7.152  13.517  -1.221
  165    HA   LYS  22           HA       LYS  22  -4.549  14.560  -0.563
  166    HB2  LYS  22           1HB      LYS  22  -6.710  13.169   1.001
  167    HB3  LYS  22           2HB      LYS  22  -5.130  13.481   1.708
  168    HG2  LYS  22           1HG      LYS  22  -5.749  15.929   0.721
  169    HG3  LYS  22           2HG      LYS  22  -7.347  15.315   1.152
  170    HD2  LYS  22           1HD      LYS  22  -6.725  16.259   3.145
  171    HD3  LYS  22           2HD      LYS  22  -6.109  14.621   3.374
  172    HE2  LYS  22           1HE      LYS  22  -4.115  15.524   3.770
  173    HE3  LYS  22           2HE      LYS  22  -4.059  15.981   2.068
  174    HZ1  LYS  22           3HZ      LYS  22  -3.684  17.940   3.275
  175    HZ2  LYS  22           1HZ      LYS  22  -4.935  17.624   4.369
  176    HZ3  LYS  22           2HZ      LYS  22  -5.295  18.048   2.772
  177    H    ASP  23           H        ASP  23  -2.683  13.482  -0.464
  178    HA   ASP  23           HA       ASP  23  -2.565  10.759  -1.354
  179    HB2  ASP  23           1HB      ASP  23  -0.132  11.018  -1.136
  180    HB3  ASP  23           2HB      ASP  23  -0.842  12.374  -2.008
  181    H    THR  24           H        THR  24  -1.928   8.945  -0.214
  182    HA   THR  24           HA       THR  24  -1.620   9.213   2.693
  183    HB   THR  24           HB       THR  24  -3.479   7.235   1.359
  184    HG1  THR  24           1HG      THR  24  -4.101   9.356   3.155
  185   HG21  THR  24          3HG2      THR  24  -2.858   7.683   4.281
  186   HG22  THR  24          1HG2      THR  24  -2.359   6.290   3.321
  187   HG23  THR  24          2HG2      THR  24  -4.069   6.572   3.643
  188    H    PHE  25           H        PHE  25   0.003   8.032   3.482
  189    HA   PHE  25           HA       PHE  25   0.953   5.721   1.933
  190    HB2  PHE  25           1HB      PHE  25   2.748   7.774   3.241
  191    HB3  PHE  25           2HB      PHE  25   3.265   6.367   2.316
  192    HD1  PHE  25           2HD      PHE  25   1.581   9.642   2.086
  193    HD2  PHE  25           1HD      PHE  25   3.388   6.427  -0.038
  194    HE1  PHE  25           2HE      PHE  25   1.558  10.993   0.030
  195    HE2  PHE  25           1HE      PHE  25   3.370   7.772  -2.098
  196    HZ   PHE  25           HZ       PHE  25   2.453  10.058  -2.066
  197    H    ILE  26           H        ILE  26   1.031   3.939   3.119
  198    HA   ILE  26           HA       ILE  26   1.789   4.081   5.929
  199    HB   ILE  26           HB       ILE  26  -0.609   4.253   6.090
  200   HG12  ILE  26          1HG1      ILE  26  -0.279   1.354   6.657
  201   HG13  ILE  26          2HG1      ILE  26   0.864   2.451   7.425
  202   HG21  ILE  26          1HG2      ILE  26  -0.590   2.653   3.774
  203   HG22  ILE  26          2HG2      ILE  26  -1.445   1.739   5.015
  204   HG23  ILE  26          3HG2      ILE  26  -1.981   3.364   4.590
  205   HD11  ILE  26          3HD1      ILE  26  -1.593   1.759   8.397
  206   HD12  ILE  26          1HD1      ILE  26  -0.650   3.165   8.888
  207   HD13  ILE  26          2HD1      ILE  26  -1.900   3.329   7.655
  208    H    LYS  27           H        LYS  27   3.322   2.618   6.215
  209    HA   LYS  27           HA       LYS  27   4.042   0.652   4.377
  210    HB2  LYS  27           1HB      LYS  27   4.912   1.534   6.967
  211    HB3  LYS  27           2HB      LYS  27   4.890  -0.223   6.932
  212    HG2  LYS  27           1HG      LYS  27   6.067   0.823   4.524
  213    HG3  LYS  27           2HG      LYS  27   6.877   1.466   5.954
  214    HD2  LYS  27           1HD      LYS  27   6.279  -1.426   5.985
  215    HD3  LYS  27           2HD      LYS  27   7.501  -0.896   4.827
  216    HE2  LYS  27           1HE      LYS  27   8.933  -1.042   6.539
  217    HE3  LYS  27           2HE      LYS  27   8.209   0.465   7.096
  218    HZ1  LYS  27           3HZ      LYS  27   8.238  -1.137   8.871
  219    HZ2  LYS  27           1HZ      LYS  27   7.415  -2.274   7.924
  220    HZ3  LYS  27           2HZ      LYS  27   6.635  -0.854   8.410
  221    H    CYS  28           H        CYS  28   3.192  -1.252   3.878
  222    HA   CYS  28           HA       CYS  28   0.954  -2.293   5.334
  223    HB2  CYS  28           1HB      CYS  28   2.446  -3.719   3.137
  224    HB3  CYS  28           2HB      CYS  28   0.756  -3.894   3.594
  225    HG   CYS  28           HG       CYS  28   2.085  -1.926   1.344
  226    HA   PRO  29           HA       PRO  29   2.938  -5.122   8.037
  227    HB2  PRO  29           1HB      PRO  29   1.124  -7.141   8.109
  228    HB3  PRO  29           2HB      PRO  29   0.856  -5.579   8.893
  229    HG2  PRO  29           1HG      PRO  29  -0.154  -6.574   6.256
  230    HG3  PRO  29           2HG      PRO  29  -1.015  -5.667   7.514
  231    HD2  PRO  29           1HD      PRO  29  -0.030  -4.488   5.285
  232    HD3  PRO  29           2HD      PRO  29  -0.124  -3.649   6.847
  233    H    LYS  30           H        LYS  30   4.765  -5.750   6.854
  234    HA   LYS  30           HA       LYS  30   4.662  -8.470   5.856
  235    HB2  LYS  30           1HB      LYS  30   5.367  -6.113   4.126
  236    HB3  LYS  30           2HB      LYS  30   6.030  -7.710   3.801
  237    HG2  LYS  30           1HG      LYS  30   3.099  -7.022   3.914
  238    HG3  LYS  30           2HG      LYS  30   4.052  -7.241   2.445
  239    HD2  LYS  30           1HD      LYS  30   4.563  -9.563   3.223
  240    HD3  LYS  30           2HD      LYS  30   3.416  -9.313   4.541
  241    HE2  LYS  30           1HE      LYS  30   2.466  -8.712   1.803
  242    HE3  LYS  30           2HE      LYS  30   2.734 -10.409   2.197
  243    HZ1  LYS  30           3HZ      LYS  30   1.254  -8.843   4.153
  244    HZ2  LYS  30           1HZ      LYS  30   1.020 -10.438   3.640
  245    HZ3  LYS  30           2HZ      LYS  30   0.460  -9.155   2.691
  246    H    PHE  31           H        PHE  31   5.824  -8.231   8.058
  247    HA   PHE  31           HA       PHE  31   8.591  -7.362   7.803
  248    HB2  PHE  31           1HB      PHE  31   7.305  -8.636  10.218
  249    HB3  PHE  31           2HB      PHE  31   8.753  -7.636  10.165
  250    HD1  PHE  31           1HD      PHE  31   8.521  -5.197   9.610
  251    HD2  PHE  31           2HD      PHE  31   5.183  -7.684  10.493
  252    HE1  PHE  31           1HE      PHE  31   7.161  -3.200  10.075
  253    HE2  PHE  31           2HE      PHE  31   3.817  -5.692  10.960
  254    HZ   PHE  31           HZ       PHE  31   4.805  -3.446  10.749
  255    H    ASP  32           H        ASP  32   9.779  -8.779   6.658
  256    HA   ASP  32           HA       ASP  32  10.784 -10.717   5.999
  257    HB2  ASP  32           1HB      ASP  32  10.402 -11.520   8.889
  258    HB3  ASP  32           2HB      ASP  32  11.619 -12.131   7.773
  259    H    ASN  33           H        ASN  33   8.811 -11.186   4.749
  260    HA   ASN  33           HA       ASN  33   7.998 -13.861   5.082
  261    HB2  ASN  33           1HB      ASN  33   6.633 -12.793   6.898
  262    HB3  ASN  33           2HB      ASN  33   5.811 -11.853   5.655
  263   HD21  ASN  33          2HD2      ASN  33   5.063 -14.094   7.599
  264   HD22  ASN  33          1HD2      ASN  33   4.183 -15.205   6.609
  265    H    LYS  34           H        LYS  34   7.303 -10.698   3.711
  266    HA   LYS  34           HA       LYS  34   7.431 -11.600   1.055
  267    HB2  LYS  34           1HB      LYS  34   5.114 -12.458   2.015
  268    HB3  LYS  34           2HB      LYS  34   4.617 -10.808   1.661
  269    HG2  LYS  34           1HG      LYS  34   5.802 -12.747  -0.315
  270    HG3  LYS  34           2HG      LYS  34   4.094 -12.327  -0.174
  271    HD2  LYS  34           1HD      LYS  34   4.645  -9.988  -0.690
  272    HD3  LYS  34           2HD      LYS  34   6.343 -10.435  -0.865
  273    HE2  LYS  34           1HE      LYS  34   5.014 -12.222  -2.504
  274    HE3  LYS  34           2HE      LYS  34   4.138 -10.711  -2.738
  275    HZ1  LYS  34           3HZ      LYS  34   6.536  -9.754  -2.958
  276    HZ2  LYS  34           1HZ      LYS  34   5.794 -10.509  -4.279
  277    HZ3  LYS  34           2HZ      LYS  34   6.934 -11.350  -3.354
  278    H    LYS  35           H        LYS  35   8.804  -9.636   1.763
  279    HA   LYS  35           HA       LYS  35   7.448  -7.097   1.798
  280    HB2  LYS  35           1HB      LYS  35  10.401  -7.593   1.412
  281    HB3  LYS  35           2HB      LYS  35   9.629  -6.120   1.984
  282    HG2  LYS  35           1HG      LYS  35   8.759  -7.946   3.811
  283    HG3  LYS  35           2HG      LYS  35  10.380  -8.540   3.440
  284    HD2  LYS  35           1HD      LYS  35  10.766  -5.831   3.686
  285    HD3  LYS  35           2HD      LYS  35   9.544  -6.163   4.915
  286    HE2  LYS  35           1HE      LYS  35  11.288  -6.723   6.207
  287    HE3  LYS  35           2HE      LYS  35  11.281  -8.228   5.290
  288    HZ1  LYS  35           3HZ      LYS  35  12.720  -6.420   3.780
  289    HZ2  LYS  35           1HZ      LYS  35  13.330  -7.733   4.657
  290    HZ3  LYS  35           2HZ      LYS  35  13.256  -6.202   5.371
  291    H    CYS  36           H        CYS  36   8.279  -5.347   0.248
  292    HA   CYS  36           HA       CYS  36   7.583  -6.139  -2.402
  293    HB2  CYS  36           1HB      CYS  36   7.113  -3.888  -1.311
  294    HB3  CYS  36           2HB      CYS  36   8.805  -3.501  -1.596
  295    HG   CYS  36           HG       CYS  36   8.673  -3.140  -4.204
  296    H    THR  37           H        THR  37   8.872  -5.922  -4.302
  297    HA   THR  37           HA       THR  37  11.742  -5.661  -4.026
  298    HB   THR  37           HB       THR  37  12.068  -7.888  -5.274
  299    HG1  THR  37           1HG      THR  37   9.814  -8.277  -5.624
  300   HG21  THR  37          3HG2      THR  37  12.376  -7.231  -2.697
  301   HG22  THR  37          1HG2      THR  37  12.691  -8.854  -3.311
  302   HG23  THR  37          2HG2      THR  37  11.156  -8.492  -2.520
  303    H    LYS  38           H        LYS  38   9.881  -4.097  -5.396
  304    HA   LYS  38           HA       LYS  38  11.062  -3.855  -7.912
  305    HB2  LYS  38           1HB      LYS  38   9.970  -5.843  -8.623
  306    HB3  LYS  38           2HB      LYS  38   8.453  -5.364  -7.876
  307    HG2  LYS  38           1HG      LYS  38   7.902  -3.935  -9.576
  308    HG3  LYS  38           2HG      LYS  38   9.586  -3.647 -10.026
  309    HD2  LYS  38           1HD      LYS  38   9.747  -5.715 -11.145
  310    HD3  LYS  38           2HD      LYS  38   8.261  -6.320 -10.407
  311    HE2  LYS  38           1HE      LYS  38   8.389  -4.000 -12.328
  312    HE3  LYS  38           2HE      LYS  38   8.017  -5.658 -12.796
  313    HZ1  LYS  38           3HZ      LYS  38   5.920  -4.955 -12.459
  314    HZ2  LYS  38           1HZ      LYS  38   6.371  -3.711 -11.405
  315    HZ3  LYS  38           2HZ      LYS  38   6.259  -5.301 -10.838
  316    H    ASP  39           H        ASP  39  10.889  -1.753  -8.276
  317    HA   ASP  39           HA       ASP  39   9.297   0.023  -6.903
  318    HB2  ASP  39           1HB      ASP  39   9.950   1.681  -8.477
  319    HB3  ASP  39           2HB      ASP  39  11.291   0.544  -8.384
  320    H    ASN  40           H        ASN  40   7.203   0.482  -6.902
  321    HA   ASN  40           HA       ASN  40   5.006   0.572  -7.486
  322    HB2  ASN  40           1HB      ASN  40   6.432   0.995 -10.064
  323    HB3  ASN  40           2HB      ASN  40   4.708   0.643 -10.145
  324   HD21  ASN  40          2HD2      ASN  40   6.708   2.526  -7.901
  325   HD22  ASN  40          1HD2      ASN  40   5.802   3.989  -8.055
  326    H    ASN  41           H        ASN  41   5.212  -1.741  -6.634
  327    HA   ASN  41           HA       ASN  41   4.918  -3.821  -8.626
  328    HB2  ASN  41           1HB      ASN  41   5.544  -3.687  -5.811
  329    HB3  ASN  41           2HB      ASN  41   4.254  -4.853  -6.092
  330   HD21  ASN  41          2HD2      ASN  41   6.720  -5.626  -5.167
  331   HD22  ASN  41          1HD2      ASN  41   7.527  -6.551  -6.383
  332    H    LYS  42           H        LYS  42   2.941  -3.327  -5.725
  333    HA   LYS  42           HA       LYS  42   0.545  -2.643  -6.987
  334    HB2  LYS  42           1HB      LYS  42   0.537  -4.757  -8.083
  335    HB3  LYS  42           2HB      LYS  42   0.983  -5.602  -6.608
  336    HG2  LYS  42           1HG      LYS  42  -1.133  -5.672  -5.846
  337    HG3  LYS  42           2HG      LYS  42  -1.534  -4.079  -6.493
  338    HD2  LYS  42           1HD      LYS  42  -2.269  -4.921  -8.457
  339    HD3  LYS  42           2HD      LYS  42  -1.034  -6.181  -8.498
  340    HE2  LYS  42           1HE      LYS  42  -2.625  -6.905  -6.364
  341    HE3  LYS  42           2HE      LYS  42  -3.780  -6.281  -7.540
  342    HZ1  LYS  42           3HZ      LYS  42  -3.503  -8.055  -8.833
  343    HZ2  LYS  42           1HZ      LYS  42  -2.720  -8.784  -7.521
  344    HZ3  LYS  42           2HZ      LYS  42  -1.816  -8.002  -8.718
  345    H    CYS  43           H        CYS  43  -0.983  -2.118  -5.498
  346    HA   CYS  43           HA       CYS  43  -0.843  -3.234  -2.816
  347    HB2  CYS  43           1HB      CYS  43   0.271  -0.676  -3.470
  348    HB3  CYS  43           2HB      CYS  43  -1.132  -0.439  -2.435
  349    HG   CYS  43           HG       CYS  43   0.865  -2.861  -1.326
  350    H    THR  44           H        THR  44  -2.711  -2.701  -1.507
  351    HA   THR  44           HA       THR  44  -4.956  -1.405  -2.804
  352    HB   THR  44           HB       THR  44  -5.963  -3.915  -1.853
  353    HG1  THR  44           1HG      THR  44  -4.902  -5.075  -3.746
  354   HG21  THR  44          3HG2      THR  44  -6.764  -2.150  -3.635
  355   HG22  THR  44          1HG2      THR  44  -7.194  -3.852  -3.794
  356   HG23  THR  44          2HG2      THR  44  -5.865  -3.185  -4.744
  357    H    VAL  45           H        VAL  45  -6.655  -0.896  -1.378
  358    HA   VAL  45           HA       VAL  45  -6.403  -1.663   1.418
  359    HB   VAL  45           HB       VAL  45  -6.218   1.206   0.501
  360   HG11  VAL  45          1HG1      VAL  45  -6.038   1.409   3.159
  361   HG12  VAL  45          2HG1      VAL  45  -7.567   1.556   2.290
  362   HG13  VAL  45          3HG1      VAL  45  -7.130   0.029   3.058
  363   HG21  VAL  45          3HG2      VAL  45  -4.392  -0.434   2.255
  364   HG22  VAL  45          1HG2      VAL  45  -4.109  -0.070   0.553
  365   HG23  VAL  45          2HG2      VAL  45  -4.137   1.234   1.741
  366    H    ASP  46           H        ASP  46  -8.315  -1.605   2.526
  367    HA   ASP  46           HA       ASP  46 -10.666  -0.616   1.047
  368    HB2  ASP  46           1HB      ASP  46 -10.139  -3.252   1.616
  369    HB3  ASP  46           2HB      ASP  46 -11.174  -2.781   2.961
  370    H    THR  47           H        THR  47 -12.501  -0.001   2.387
  371    HA   THR  47           HA       THR  47 -11.593   1.296   4.846
  372    HB   THR  47           HB       THR  47 -13.848   2.466   4.697
  373    HG1  THR  47           1HG      THR  47 -15.082   1.378   3.305
  374   HG21  THR  47          3HG2      THR  47 -12.090   3.816   4.045
  375   HG22  THR  47          1HG2      THR  47 -13.060   3.781   2.574
  376   HG23  THR  47          2HG2      THR  47 -11.632   2.756   2.711
  377    H    TYR  48           H        TYR  48 -13.147  -1.506   3.935
  378    HA   TYR  48           HA       TYR  48 -15.279  -1.820   5.654
  379    HB2  TYR  48           1HB      TYR  48 -14.817  -3.515   4.032
  380    HB3  TYR  48           2HB      TYR  48 -13.228  -3.829   4.717
  381    HD1  TYR  48           1HD      TYR  48 -16.843  -3.934   5.646
  382    HD2  TYR  48           2HD      TYR  48 -12.968  -5.607   6.179
  383    HE1  TYR  48           1HE      TYR  48 -17.808  -5.705   7.053
  384    HE2  TYR  48           2HE      TYR  48 -13.921  -7.383   7.588
  385    HH   TYR  48           HH       TYR  48 -16.978  -7.247   8.898
  386    H    ASN  49           H        ASN  49 -11.872  -2.637   6.309
  387    HA   ASN  49           HA       ASN  49 -12.263  -1.995   9.114
  388    HB2  ASN  49           1HB      ASN  49 -11.507  -4.113   9.962
  389    HB3  ASN  49           2HB      ASN  49 -12.849  -4.424   8.865
  390   HD21  ASN  49          2HD2      ASN  49 -10.978  -6.349   9.616
  391   HD22  ASN  49          1HD2      ASN  49 -10.069  -6.807   8.221
  392    H    ASN  50           H        ASN  50 -10.780  -0.707   7.101
  393    HA   ASN  50           HA       ASN  50  -8.709   0.103   6.604
  394    HB2  ASN  50           1HB      ASN  50  -9.078   0.353   9.264
  395    HB3  ASN  50           2HB      ASN  50  -7.627  -0.644   9.261
  396   HD21  ASN  50          2HD2      ASN  50  -6.347   0.304   7.020
  397   HD22  ASN  50          1HD2      ASN  50  -5.878   1.947   7.282
  398    H    ALA  51           H        ALA  51  -8.975  -2.390   5.605
  399    HA   ALA  51           HA       ALA  51  -6.691  -3.999   6.408
  400    HB1  ALA  51           1HB      ALA  51  -8.344  -5.467   5.900
  401    HB2  ALA  51           2HB      ALA  51  -9.071  -4.406   4.693
  402    HB3  ALA  51           3HB      ALA  51  -7.622  -5.330   4.297
  403    H    VAL  52           H        VAL  52  -4.742  -3.561   5.632
  404    HA   VAL  52           HA       VAL  52  -4.509  -2.284   2.994
  405    HB   VAL  52           HB       VAL  52  -2.369  -2.500   5.112
  406   HG11  VAL  52          1HG1      VAL  52  -2.492  -0.478   2.908
  407   HG12  VAL  52          2HG1      VAL  52  -1.096  -1.055   3.821
  408   HG13  VAL  52          3HG1      VAL  52  -1.847  -2.091   2.608
  409   HG21  VAL  52          3HG2      VAL  52  -4.542  -0.500   4.704
  410   HG22  VAL  52          1HG2      VAL  52  -3.874  -1.150   6.201
  411   HG23  VAL  52          2HG2      VAL  52  -2.968   0.049   5.278
  412    H    ASP  53           H        ASP  53  -4.356  -3.838   1.484
  413    HA   ASP  53           HA       ASP  53  -2.953  -6.307   1.965
  414    HB2  ASP  53           1HB      ASP  53  -4.745  -5.232  -0.068
  415    HB3  ASP  53           2HB      ASP  53  -3.415  -6.152  -0.768
  416    H    CYS  54           H        CYS  54  -1.335  -7.064   0.267
  417    HA   CYS  54           HA       CYS  54   0.451  -4.882  -0.555
  418    HB2  CYS  54           1HB      CYS  54   1.750  -7.359   0.425
  419    HB3  CYS  54           2HB      CYS  54   2.271  -5.684   0.561
  420    HG   CYS  54           HG       CYS  54  -0.025  -5.375   2.505
  421    H    ASP  55           H        ASP  55   2.099  -5.599  -2.146
  422    HA   ASP  55           HA       ASP  55   0.911  -6.895  -4.322
  423    HB2  ASP  55           1HB      ASP  55   3.374  -7.021  -5.143
  424    HB3  ASP  55           2HB      ASP  55   2.638  -5.440  -4.899
  Start of MODEL    9
    1    H1   ALA   1           H        ALA   1 -16.175   1.331   1.045
    2    HA   ALA   1           HA       ALA   1 -15.584   2.833  -1.383
    3    HB1  ALA   1           1HB      ALA   1 -15.735   4.110   1.110
    4    HB2  ALA   1           2HB      ALA   1 -14.016   3.950   0.744
    5    HB3  ALA   1           3HB      ALA   1 -15.089   4.759  -0.399
    6    H    LYS   2           H        LYS   2 -13.525   2.500  -2.185
    7    HA   LYS   2           HA       LYS   2 -11.646   0.905  -0.625
    8    HB2  LYS   2           1HB      LYS   2 -12.517   0.037  -3.383
    9    HB3  LYS   2           2HB      LYS   2 -11.394  -0.795  -2.315
   10    HG2  LYS   2           1HG      LYS   2 -13.404  -0.913  -0.691
   11    HG3  LYS   2           2HG      LYS   2 -14.369  -0.578  -2.131
   12    HD2  LYS   2           1HD      LYS   2 -13.474  -2.534  -3.233
   13    HD3  LYS   2           2HD      LYS   2 -12.384  -2.838  -1.878
   14    HE2  LYS   2           1HE      LYS   2 -14.091  -3.550  -0.496
   15    HE3  LYS   2           2HE      LYS   2 -15.327  -2.674  -1.397
   16    HZ1  LYS   2           3HZ      LYS   2 -14.500  -4.391  -3.246
   17    HZ2  LYS   2           1HZ      LYS   2 -15.770  -4.722  -2.178
   18    HZ3  LYS   2           2HZ      LYS   2 -14.220  -5.319  -1.860
   19    H    TYR   3           H        TYR   3  -9.532   0.667  -1.791
   20    HA   TYR   3           HA       TYR   3  -9.028   2.697  -3.820
   21    HB2  TYR   3           1HB      TYR   3  -7.402   2.635  -1.276
   22    HB3  TYR   3           2HB      TYR   3  -7.287   3.798  -2.592
   23    HD1  TYR   3           1HD      TYR   3  -9.360   2.675   0.246
   24    HD2  TYR   3           2HD      TYR   3  -8.764   5.670  -2.718
   25    HE1  TYR   3           1HE      TYR   3 -10.966   4.134   1.404
   26    HE2  TYR   3           2HE      TYR   3 -10.367   7.137  -1.566
   27    HH   TYR   3           HH       TYR   3 -12.554   6.316   0.361
   28    H    THR   4           H        THR   4  -7.037   2.421  -4.932
   29    HA   THR   4           HA       THR   4  -5.557  -0.043  -4.362
   30    HB   THR   4           HB       THR   4  -7.297  -0.578  -6.063
   31    HG1  THR   4           1HG      THR   4  -5.744  -1.497  -7.553
   32   HG21  THR   4          3HG2      THR   4  -5.809   0.939  -8.131
   33   HG22  THR   4          1HG2      THR   4  -6.889   1.859  -7.086
   34   HG23  THR   4          2HG2      THR   4  -7.519   0.520  -8.046
   35    H    GLY   5           H        GLY   5  -3.405   0.035  -4.855
   36    HA2  GLY   5           1HA      GLY   5  -2.352   2.142  -6.547
   37    HA3  GLY   5           2HA      GLY   5  -1.958   2.302  -4.842
   38    H    LYS   6           H        LYS   6   0.238   2.005  -5.102
   39    HA   LYS   6           HA       LYS   6   1.050  -0.766  -5.502
   40    HB2  LYS   6           1HB      LYS   6   2.550   1.439  -6.903
   41    HB3  LYS   6           2HB      LYS   6   2.727  -0.298  -7.112
   42    HG2  LYS   6           1HG      LYS   6   0.332  -0.270  -7.982
   43    HG3  LYS   6           2HG      LYS   6   0.517   1.484  -8.077
   44    HD2  LYS   6           1HD      LYS   6   2.816   0.333  -9.254
   45    HD3  LYS   6           2HD      LYS   6   1.416  -0.521  -9.905
   46    HE2  LYS   6           1HE      LYS   6   1.714   2.479  -9.829
   47    HE3  LYS   6           2HE      LYS   6   2.079   1.473 -11.229
   48    HZ1  LYS   6           3HZ      LYS   6  -0.269   0.685 -11.111
   49    HZ2  LYS   6           1HZ      LYS   6  -0.101   2.323 -11.503
   50    HZ3  LYS   6           2HZ      LYS   6  -0.561   1.871  -9.940
   51    H    CYS   7           H        CYS   7   3.446  -1.016  -4.955
   52    HA   CYS   7           HA       CYS   7   4.122   0.797  -2.731
   53    HB2  CYS   7           1HB      CYS   7   4.728  -2.160  -2.925
   54    HB3  CYS   7           2HB      CYS   7   5.115  -1.106  -1.571
   55    HG   CYS   7           HG       CYS   7   2.528  -2.943  -1.886
   56    H    THR   8           H        THR   8   6.372   1.124  -2.303
   57    HA   THR   8           HA       THR   8   8.032   0.797  -4.712
   58    HB   THR   8           HB       THR   8   7.786   3.113  -4.298
   59    HG1  THR   8           1HG      THR   8   9.959   3.688  -3.643
   60   HG21  THR   8          3HG2      THR   8   8.494   2.558  -1.413
   61   HG22  THR   8          1HG2      THR   8   6.894   2.977  -2.023
   62   HG23  THR   8          2HG2      THR   8   8.208   4.150  -2.115
   63    H    LYS   9           H        LYS   9  10.072  -0.049  -4.570
   64    HA   LYS   9           HA       LYS   9  10.627  -1.892  -2.536
   65    HB2  LYS   9           1HB      LYS   9  12.903  -2.004  -3.559
   66    HB3  LYS   9           2HB      LYS   9  11.591  -2.187  -4.717
   67    HG2  LYS   9           1HG      LYS   9  11.871   0.086  -5.464
   68    HG3  LYS   9           2HG      LYS   9  13.091   0.378  -4.222
   69    HD2  LYS   9           1HD      LYS   9  13.332  -1.639  -6.456
   70    HD3  LYS   9           2HD      LYS   9  14.076  -0.039  -6.448
   71    HE2  LYS   9           1HE      LYS   9  14.624  -2.312  -4.545
   72    HE3  LYS   9           2HE      LYS   9  15.711  -1.674  -5.778
   73    HZ1  LYS   9           3HZ      LYS   9  14.814  -0.330  -3.293
   74    HZ2  LYS   9           1HZ      LYS   9  15.615   0.481  -4.543
   75    HZ3  LYS   9           2HZ      LYS   9  16.390  -0.775  -3.717
   76    H    SER  10           H        SER  10  11.273   1.491  -2.780
   77    HA   SER  10           HA       SER  10  13.362   1.529  -0.801
   78    HB2  SER  10           1HB      SER  10  13.189   3.968  -0.969
   79    HB3  SER  10           2HB      SER  10  13.245   3.242  -2.575
   80    HG   SER  10           HG       SER  10  11.590   4.653  -2.678
   81    H    LYS  11           H        LYS  11   9.952   1.450  -0.768
   82    HA   LYS  11           HA       LYS  11   9.899   1.490   2.103
   83    HB2  LYS  11           1HB      LYS  11   9.617   3.951   0.914
   84    HB3  LYS  11           2HB      LYS  11   7.947   3.433   1.096
   85    HG2  LYS  11           1HG      LYS  11   7.997   3.596   3.345
   86    HG3  LYS  11           2HG      LYS  11   9.682   3.080   3.455
   87    HD2  LYS  11           1HD      LYS  11   9.592   5.587   2.109
   88    HD3  LYS  11           2HD      LYS  11   8.629   5.710   3.584
   89    HE2  LYS  11           1HE      LYS  11  10.622   6.148   4.540
   90    HE3  LYS  11           2HE      LYS  11  10.789   4.392   4.521
   91    HZ1  LYS  11           3HZ      LYS  11  11.737   6.117   2.306
   92    HZ2  LYS  11           1HZ      LYS  11  12.107   4.489   2.587
   93    HZ3  LYS  11           2HZ      LYS  11  12.719   5.686   3.615
   94    H    ASN  12           H        ASN  12   8.609  -0.151   2.582
   95    HA   ASN  12           HA       ASN  12   6.660  -1.123   0.701
   96    HB2  ASN  12           1HB      ASN  12   8.058  -2.633   2.116
   97    HB3  ASN  12           2HB      ASN  12   7.185  -2.052   3.532
   98   HD21  ASN  12          2HD2      ASN  12   5.738  -3.449   4.191
   99   HD22  ASN  12          1HD2      ASN  12   4.753  -4.454   3.190
  100    H    GLU  13           H        GLU  13   5.717   1.249   1.048
  101    HA   GLU  13           HA       GLU  13   3.464   0.931   2.916
  102    HB2  GLU  13           1HB      GLU  13   3.549   3.217   3.545
  103    HB3  GLU  13           2HB      GLU  13   5.192   2.608   3.693
  104    HG2  GLU  13           1HG      GLU  13   5.638   3.563   1.413
  105    HG3  GLU  13           2HG      GLU  13   4.064   4.347   1.519
  106    H    CYS  14           H        CYS  14   1.492   1.277   2.076
  107    HA   CYS  14           HA       CYS  14   1.094   1.401  -0.685
  108    HB2  CYS  14           1HB      CYS  14  -1.187   1.356  -0.229
  109    HB3  CYS  14           2HB      CYS  14  -0.503   0.642   1.226
  110    HG   CYS  14           HG       CYS  14  -2.208   2.143   2.510
  111    H    LYS  15           H        LYS  15   0.356   3.034  -2.058
  112    HA   LYS  15           HA       LYS  15   0.525   5.781  -1.026
  113    HB2  LYS  15           1HB      LYS  15   1.660   6.409  -3.185
  114    HB3  LYS  15           2HB      LYS  15   2.635   5.443  -2.084
  115    HG2  LYS  15           1HG      LYS  15   2.907   3.860  -3.608
  116    HG3  LYS  15           2HG      LYS  15   1.168   3.750  -3.891
  117    HD2  LYS  15           1HD      LYS  15   1.974   4.387  -5.969
  118    HD3  LYS  15           2HD      LYS  15   1.508   5.933  -5.254
  119    HE2  LYS  15           1HE      LYS  15   4.268   5.057  -4.713
  120    HE3  LYS  15           2HE      LYS  15   3.911   5.448  -6.395
  121    HZ1  LYS  15           3HZ      LYS  15   3.755   7.203  -4.026
  122    HZ2  LYS  15           1HZ      LYS  15   2.908   7.575  -5.442
  123    HZ3  LYS  15           2HZ      LYS  15   4.594   7.451  -5.473
  124    H    TYR  16           H        TYR  16  -1.794   5.696  -1.042
  125    HA   TYR  16           HA       TYR  16  -2.928   5.949  -3.750
  126    HB2  TYR  16           1HB      TYR  16  -4.944   4.936  -3.043
  127    HB3  TYR  16           2HB      TYR  16  -3.663   3.918  -2.396
  128    HD1  TYR  16           1HD      TYR  16  -2.900   4.537   0.059
  129    HD2  TYR  16           2HD      TYR  16  -6.664   5.571  -1.636
  130    HE1  TYR  16           1HE      TYR  16  -3.845   4.776   2.317
  131    HE2  TYR  16           2HE      TYR  16  -7.618   5.815   0.618
  132    HH   TYR  16           HH       TYR  16  -7.220   5.773   2.801
  133    H    LYS  17           H        LYS  17  -5.384   6.945  -3.166
  134    HA   LYS  17           HA       LYS  17  -4.831   9.445  -1.708
  135    HB2  LYS  17           1HB      LYS  17  -6.378  10.539  -3.400
  136    HB3  LYS  17           2HB      LYS  17  -4.789  10.068  -3.990
  137    HG2  LYS  17           1HG      LYS  17  -5.821   7.991  -4.901
  138    HG3  LYS  17           2HG      LYS  17  -7.398   8.640  -4.448
  139    HD2  LYS  17           1HD      LYS  17  -6.802  10.676  -5.839
  140    HD3  LYS  17           2HD      LYS  17  -5.442   9.735  -6.457
  141    HE2  LYS  17           1HE      LYS  17  -7.591   8.022  -6.718
  142    HE3  LYS  17           2HE      LYS  17  -8.271   9.597  -7.124
  143    HZ1  LYS  17           3HZ      LYS  17  -7.330   8.375  -9.044
  144    HZ2  LYS  17           1HZ      LYS  17  -5.797   8.500  -8.339
  145    HZ3  LYS  17           2HZ      LYS  17  -6.630   9.896  -8.806
  146    H    ASN  18           H        ASN  18  -6.125   9.663  -0.017
  147    HA   ASN  18           HA       ASN  18  -8.773   8.381  -0.092
  148    HB2  ASN  18           1HB      ASN  18  -8.626   7.957   2.178
  149    HB3  ASN  18           2HB      ASN  18  -6.939   7.803   1.698
  150   HD21  ASN  18          2HD2      ASN  18  -5.687   9.903   1.813
  151   HD22  ASN  18          1HD2      ASN  18  -5.955  10.877   3.215
  152    H    ASP  19           H        ASP  19 -10.521   9.498   1.049
  153    HA   ASP  19           HA       ASP  19 -11.808  11.311   1.556
  154    HB2  ASP  19           1HB      ASP  19  -9.633  11.997   2.798
  155    HB3  ASP  19           2HB      ASP  19  -9.396  13.101   1.445
  156    H    ALA  20           H        ALA  20  -9.229  12.752  -0.439
  157    HA   ALA  20           HA       ALA  20 -10.678  12.765  -2.845
  158    HB1  ALA  20           1HB      ALA  20 -10.635  15.552  -1.839
  159    HB2  ALA  20           2HB      ALA  20 -11.756  14.763  -2.948
  160    HB3  ALA  20           3HB      ALA  20 -11.888  14.481  -1.213
  161    H    GLY  21           H        GLY  21  -8.111  12.121  -2.334
  162    HA2  GLY  21           1HA      GLY  21  -6.209  12.518  -3.711
  163    HA3  GLY  21           2HA      GLY  21  -6.666  14.214  -3.800
  164    H    LYS  22           H        LYS  22  -6.803  12.719  -0.708
  165    HA   LYS  22           HA       LYS  22  -4.742  14.472   0.280
  166    HB2  LYS  22           1HB      LYS  22  -6.985  13.155   1.369
  167    HB3  LYS  22           2HB      LYS  22  -5.582  12.506   2.209
  168    HG2  LYS  22           1HG      LYS  22  -5.890  15.458   1.881
  169    HG3  LYS  22           2HG      LYS  22  -6.789  14.603   3.137
  170    HD2  LYS  22           1HD      LYS  22  -4.868  13.998   4.280
  171    HD3  LYS  22           2HD      LYS  22  -3.845  14.161   2.851
  172    HE2  LYS  22           1HE      LYS  22  -5.211  16.557   4.013
  173    HE3  LYS  22           2HE      LYS  22  -3.721  15.949   4.734
  174    HZ1  LYS  22           3HZ      LYS  22  -2.743  16.098   2.442
  175    HZ2  LYS  22           1HZ      LYS  22  -3.099  17.579   3.176
  176    HZ3  LYS  22           2HZ      LYS  22  -4.121  16.961   1.979
  177    H    ASP  23           H        ASP  23  -2.677  13.992   0.700
  178    HA   ASP  23           HA       ASP  23  -1.546  11.561  -0.222
  179    HB2  ASP  23           1HB      ASP  23   0.570  12.444   0.604
  180    HB3  ASP  23           2HB      ASP  23  -0.327  13.710  -0.229
  181    H    THR  24           H        THR  24  -1.394   9.671   0.773
  182    HA   THR  24           HA       THR  24  -1.056   9.551   3.663
  183    HB   THR  24           HB       THR  24  -3.330   8.139   2.256
  184    HG1  THR  24           1HG      THR  24  -3.821  10.293   2.783
  185   HG21  THR  24          3HG2      THR  24  -3.260   6.616   3.879
  186   HG22  THR  24          1HG2      THR  24  -3.488   7.894   5.072
  187   HG23  THR  24          2HG2      THR  24  -1.859   7.414   4.595
  188    H    PHE  25           H        PHE  25   0.356   8.014   4.215
  189    HA   PHE  25           HA       PHE  25   0.738   5.718   2.432
  190    HB2  PHE  25           1HB      PHE  25   2.988   7.416   3.532
  191    HB3  PHE  25           2HB      PHE  25   3.179   5.939   2.593
  192    HD1  PHE  25           1HD      PHE  25   1.807   9.382   2.429
  193    HD2  PHE  25           2HD      PHE  25   3.263   6.016   0.268
  194    HE1  PHE  25           1HE      PHE  25   1.778  10.705   0.355
  195    HE2  PHE  25           2HE      PHE  25   3.236   7.334  -1.809
  196    HZ   PHE  25           HZ       PHE  25   2.494   9.682  -1.768
  197    H    ILE  26           H        ILE  26   0.784   3.856   3.506
  198    HA   ILE  26           HA       ILE  26   1.657   3.841   6.309
  199    HB   ILE  26           HB       ILE  26  -0.731   3.911   6.479
  200   HG12  ILE  26          1HG1      ILE  26  -0.336   0.979   6.774
  201   HG13  ILE  26          2HG1      ILE  26   0.772   2.026   7.654
  202   HG21  ILE  26          1HG2      ILE  26  -1.551   3.348   4.378
  203   HG22  ILE  26          2HG2      ILE  26  -0.648   1.834   4.324
  204   HG23  ILE  26          3HG2      ILE  26  -2.051   1.988   5.384
  205   HD11  ILE  26          3HD1      ILE  26  -1.700   3.117   8.184
  206   HD12  ILE  26          1HD1      ILE  26  -1.998   1.379   8.190
  207   HD13  ILE  26          2HD1      ILE  26  -0.767   2.067   9.250
  208    H    LYS  27           H        LYS  27   2.833   2.095   6.898
  209    HA   LYS  27           HA       LYS  27   3.878   0.400   4.874
  210    HB2  LYS  27           1HB      LYS  27   4.107   0.186   7.883
  211    HB3  LYS  27           2HB      LYS  27   5.086  -0.701   6.721
  212    HG2  LYS  27           1HG      LYS  27   6.502   0.989   6.517
  213    HG3  LYS  27           2HG      LYS  27   5.192   2.126   6.189
  214    HD2  LYS  27           1HD      LYS  27   6.149   2.971   8.134
  215    HD3  LYS  27           2HD      LYS  27   4.781   2.034   8.739
  216    HE2  LYS  27           1HE      LYS  27   6.110   0.450   9.681
  217    HE3  LYS  27           2HE      LYS  27   7.357   0.606   8.446
  218    HZ1  LYS  27           3HZ      LYS  27   7.378   3.003   9.770
  219    HZ2  LYS  27           1HZ      LYS  27   8.501   1.750   9.946
  220    HZ3  LYS  27           2HZ      LYS  27   7.182   1.858  11.000
  221    H    CYS  28           H        CYS  28   3.340  -1.620   4.272
  222    HA   CYS  28           HA       CYS  28   0.862  -2.720   5.281
  223    HB2  CYS  28           1HB      CYS  28   2.671  -3.933   3.192
  224    HB3  CYS  28           2HB      CYS  28   0.953  -4.226   3.432
  225    HG   CYS  28           HG       CYS  28   1.298  -1.035   2.910
  226    HA   PRO  29           HA       PRO  29   2.522  -5.718   8.022
  227    HB2  PRO  29           1HB      PRO  29   0.744  -7.745   7.718
  228    HB3  PRO  29           2HB      PRO  29   0.354  -6.244   8.566
  229    HG2  PRO  29           1HG      PRO  29  -0.292  -7.057   5.758
  230    HG3  PRO  29           2HG      PRO  29  -1.321  -6.246   6.952
  231    HD2  PRO  29           1HD      PRO  29  -0.075  -4.908   4.956
  232    HD3  PRO  29           2HD      PRO  29  -0.382  -4.181   6.546
  233    H    LYS  30           H        LYS  30   4.294  -5.803   6.185
  234    HA   LYS  30           HA       LYS  30   4.592  -8.637   5.507
  235    HB2  LYS  30           1HB      LYS  30   4.989  -6.344   3.580
  236    HB3  LYS  30           2HB      LYS  30   5.540  -7.987   3.282
  237    HG2  LYS  30           1HG      LYS  30   3.562  -8.071   2.183
  238    HG3  LYS  30           2HG      LYS  30   2.997  -8.533   3.790
  239    HD2  LYS  30           1HD      LYS  30   2.470  -6.126   4.209
  240    HD3  LYS  30           2HD      LYS  30   2.866  -5.800   2.520
  241    HE2  LYS  30           1HE      LYS  30   0.438  -6.081   2.927
  242    HE3  LYS  30           2HE      LYS  30   1.093  -7.243   1.774
  243    HZ1  LYS  30           3HZ      LYS  30  -0.409  -7.851   3.950
  244    HZ2  LYS  30           1HZ      LYS  30   1.162  -8.188   4.481
  245    HZ3  LYS  30           2HZ      LYS  30   0.559  -8.940   3.090
  246    H    PHE  31           H        PHE  31   5.766  -7.435   7.662
  247    HA   PHE  31           HA       PHE  31   8.390  -6.461   7.020
  248    HB2  PHE  31           1HB      PHE  31   7.439  -7.464   9.705
  249    HB3  PHE  31           2HB      PHE  31   8.746  -6.329   9.380
  250    HD1  PHE  31           2HD      PHE  31   8.208  -4.044   8.556
  251    HD2  PHE  31           1HD      PHE  31   5.205  -6.740   9.908
  252    HE1  PHE  31           2HE      PHE  31   6.640  -2.165   8.812
  253    HE2  PHE  31           1HE      PHE  31   3.632  -4.865  10.164
  254    HZ   PHE  31           HZ       PHE  31   4.349  -2.574   9.618
  255    H    ASP  32           H        ASP  32   9.565  -7.955   5.909
  256    HA   ASP  32           HA       ASP  32  10.934  -9.744   5.585
  257    HB2  ASP  32           1HB      ASP  32  11.236  -9.141   8.222
  258    HB3  ASP  32           2HB      ASP  32  10.697 -10.816   8.323
  259    H    ASN  33           H        ASN  33   8.235 -10.052   4.975
  260    HA   ASN  33           HA       ASN  33   7.923 -12.940   5.398
  261    HB2  ASN  33           1HB      ASN  33   6.373 -11.848   6.939
  262    HB3  ASN  33           2HB      ASN  33   5.707 -10.890   5.619
  263   HD21  ASN  33          2HD2      ASN  33   4.111 -11.714   4.417
  264   HD22  ASN  33          1HD2      ASN  33   3.482 -13.314   4.577
  265    H    LYS  34           H        LYS  34   6.737 -10.126   3.570
  266    HA   LYS  34           HA       LYS  34   7.347 -11.205   1.055
  267    HB2  LYS  34           1HB      LYS  34   5.269 -12.585   1.983
  268    HB3  LYS  34           2HB      LYS  34   4.382 -11.198   1.362
  269    HG2  LYS  34           1HG      LYS  34   4.571 -11.916  -0.727
  270    HG3  LYS  34           2HG      LYS  34   6.314 -12.139  -0.562
  271    HD2  LYS  34           1HD      LYS  34   5.806 -14.297   0.640
  272    HD3  LYS  34           2HD      LYS  34   4.124 -14.084   0.147
  273    HE2  LYS  34           1HE      LYS  34   4.631 -14.338  -2.115
  274    HE3  LYS  34           2HE      LYS  34   6.344 -14.003  -1.865
  275    HZ1  LYS  34           3HZ      LYS  34   5.511 -16.427  -2.238
  276    HZ2  LYS  34           1HZ      LYS  34   5.160 -16.363  -0.585
  277    HZ3  LYS  34           2HZ      LYS  34   6.744 -16.114  -1.123
  278    H    LYS  35           H        LYS  35   7.922  -8.807   1.923
  279    HA   LYS  35           HA       LYS  35   5.895  -6.854   1.313
  280    HB2  LYS  35           1HB      LYS  35   7.844  -5.242   1.589
  281    HB3  LYS  35           2HB      LYS  35   7.419  -6.205   2.997
  282    HG2  LYS  35           1HG      LYS  35   9.316  -7.509   2.847
  283    HG3  LYS  35           2HG      LYS  35   9.545  -7.160   1.132
  284    HD2  LYS  35           1HD      LYS  35  11.233  -5.995   2.385
  285    HD3  LYS  35           2HD      LYS  35  10.092  -4.811   1.745
  286    HE2  LYS  35           1HE      LYS  35   8.971  -4.709   3.908
  287    HE3  LYS  35           2HE      LYS  35  10.074  -5.926   4.549
  288    HZ1  LYS  35           3HZ      LYS  35  10.440  -3.250   4.694
  289    HZ2  LYS  35           1HZ      LYS  35  11.417  -3.672   3.379
  290    HZ3  LYS  35           2HZ      LYS  35  11.655  -4.411   4.882
  291    H    CYS  36           H        CYS  36   6.602  -4.985  -0.204
  292    HA   CYS  36           HA       CYS  36   6.549  -5.871  -2.819
  293    HB2  CYS  36           1HB      CYS  36   6.003  -3.556  -2.004
  294    HB3  CYS  36           2HB      CYS  36   7.732  -3.240  -1.918
  295    HG   CYS  36           HG       CYS  36   7.325  -2.039  -4.221
  296    H    THR  37           H        THR  37   8.100  -5.891  -4.505
  297    HA   THR  37           HA       THR  37  10.915  -5.909  -3.687
  298    HB   THR  37           HB       THR  37  10.138  -8.250  -3.586
  299    HG1  THR  37           1HG      THR  37  11.803  -7.923  -5.863
  300   HG21  THR  37          3HG2      THR  37   8.710  -9.048  -5.095
  301   HG22  THR  37          1HG2      THR  37   9.927  -8.842  -6.353
  302   HG23  THR  37          2HG2      THR  37   8.800  -7.533  -5.995
  303    H    LYS  38           H        LYS  38   9.544  -3.926  -5.132
  304    HA   LYS  38           HA       LYS  38  11.247  -3.541  -7.312
  305    HB2  LYS  38           1HB      LYS  38   9.098  -5.277  -7.920
  306    HB3  LYS  38           2HB      LYS  38   8.734  -3.738  -8.691
  307    HG2  LYS  38           1HG      LYS  38  11.269  -3.954  -9.446
  308    HG3  LYS  38           2HG      LYS  38  10.912  -5.669  -9.234
  309    HD2  LYS  38           1HD      LYS  38   8.858  -5.270 -10.671
  310    HD3  LYS  38           2HD      LYS  38   9.557  -3.695 -11.058
  311    HE2  LYS  38           1HE      LYS  38  10.503  -4.822 -12.762
  312    HE3  LYS  38           2HE      LYS  38  11.675  -5.300 -11.533
  313    HZ1  LYS  38           3HZ      LYS  38  10.751  -7.155 -12.900
  314    HZ2  LYS  38           1HZ      LYS  38   9.250  -6.884 -12.168
  315    HZ3  LYS  38           2HZ      LYS  38  10.575  -7.358 -11.230
  316    H    ASP  39           H        ASP  39  10.355  -1.720  -8.796
  317    HA   ASP  39           HA       ASP  39   9.384   0.356  -7.036
  318    HB2  ASP  39           1HB      ASP  39   9.784   0.861  -9.943
  319    HB3  ASP  39           2HB      ASP  39  10.218   1.859  -8.558
  320    H    ASN  40           H        ASN  40   7.250   0.264  -6.636
  321    HA   ASN  40           HA       ASN  40   5.006   0.422  -6.972
  322    HB2  ASN  40           1HB      ASN  40   5.458   1.038  -9.875
  323    HB3  ASN  40           2HB      ASN  40   4.227   1.671  -8.785
  324   HD21  ASN  40          2HD2      ASN  40   5.762   2.458  -6.650
  325   HD22  ASN  40          1HD2      ASN  40   6.791   3.760  -7.130
  326    H    ASN  41           H        ASN  41   5.033  -1.922  -6.667
  327    HA   ASN  41           HA       ASN  41   4.812  -3.567  -9.046
  328    HB2  ASN  41           1HB      ASN  41   5.152  -4.030  -6.153
  329    HB3  ASN  41           2HB      ASN  41   4.165  -5.228  -6.985
  330   HD21  ASN  41          2HD2      ASN  41   6.231  -6.343  -6.042
  331   HD22  ASN  41          1HD2      ASN  41   7.502  -6.569  -7.190
  332    H    LYS  42           H        LYS  42   2.780  -3.705  -6.150
  333    HA   LYS  42           HA       LYS  42   0.407  -2.752  -7.279
  334    HB2  LYS  42           1HB      LYS  42   0.425  -4.578  -8.809
  335    HB3  LYS  42           2HB      LYS  42   0.842  -5.725  -7.542
  336    HG2  LYS  42           1HG      LYS  42  -1.302  -5.769  -6.689
  337    HG3  LYS  42           2HG      LYS  42  -1.724  -4.205  -7.390
  338    HD2  LYS  42           1HD      LYS  42  -2.406  -5.132  -9.311
  339    HD3  LYS  42           2HD      LYS  42  -1.004  -6.202  -9.390
  340    HE2  LYS  42           1HE      LYS  42  -2.055  -7.886  -8.241
  341    HE3  LYS  42           2HE      LYS  42  -3.126  -6.779  -7.384
  342    HZ1  LYS  42           3HZ      LYS  42  -4.261  -6.403  -9.556
  343    HZ2  LYS  42           1HZ      LYS  42  -4.427  -7.971  -8.943
  344    HZ3  LYS  42           2HZ      LYS  42  -3.342  -7.667 -10.205
  345    H    CYS  43           H        CYS  43  -1.237  -2.678  -5.784
  346    HA   CYS  43           HA       CYS  43  -1.380  -4.368  -3.507
  347    HB2  CYS  43           1HB      CYS  43  -0.709  -2.875  -1.769
  348    HB3  CYS  43           2HB      CYS  43   0.605  -2.918  -2.938
  349    HG   CYS  43           HG       CYS  43   0.380  -0.308  -2.002
  350    H    THR  44           H        THR  44  -3.005  -3.478  -1.880
  351    HA   THR  44           HA       THR  44  -4.891  -1.583  -3.057
  352    HB   THR  44           HB       THR  44  -6.398  -3.764  -1.949
  353    HG1  THR  44           1HG      THR  44  -5.007  -4.550  -4.276
  354   HG21  THR  44          3HG2      THR  44  -7.451  -2.233  -3.405
  355   HG22  THR  44          1HG2      THR  44  -7.339  -3.738  -4.316
  356   HG23  THR  44          2HG2      THR  44  -6.205  -2.426  -4.638
  357    H    VAL  45           H        VAL  45  -6.655  -1.018  -1.508
  358    HA   VAL  45           HA       VAL  45  -6.097  -1.552   1.294
  359    HB   VAL  45           HB       VAL  45  -6.041   1.261   0.192
  360   HG11  VAL  45          1HG1      VAL  45  -7.128   1.446   2.248
  361   HG12  VAL  45          2HG1      VAL  45  -6.145   0.181   2.989
  362   HG13  VAL  45          3HG1      VAL  45  -5.437   1.759   2.638
  363   HG21  VAL  45          3HG2      VAL  45  -3.896  -0.410   1.499
  364   HG22  VAL  45          1HG2      VAL  45  -3.948   0.104  -0.187
  365   HG23  VAL  45          2HG2      VAL  45  -3.744   1.300   1.093
  366    H    ASP  46           H        ASP  46  -7.860  -1.270   2.624
  367    HA   ASP  46           HA       ASP  46 -10.346  -0.380   1.315
  368    HB2  ASP  46           1HB      ASP  46  -9.741  -2.847   2.848
  369    HB3  ASP  46           2HB      ASP  46 -11.299  -2.087   3.164
  370    H    THR  47           H        THR  47 -12.037   0.339   2.845
  371    HA   THR  47           HA       THR  47 -10.813   1.784   5.098
  372    HB   THR  47           HB       THR  47 -13.208   3.007   4.809
  373    HG1  THR  47           1HG      THR  47 -13.995   2.726   2.867
  374   HG21  THR  47          3HG2      THR  47 -11.119   4.189   4.912
  375   HG22  THR  47          1HG2      THR  47 -11.985   4.724   3.473
  376   HG23  THR  47          2HG2      THR  47 -10.645   3.586   3.324
  377    H    TYR  48           H        TYR  48 -13.043  -0.663   4.280
  378    HA   TYR  48           HA       TYR  48 -14.967  -0.539   6.249
  379    HB2  TYR  48           1HB      TYR  48 -15.202  -2.218   4.602
  380    HB3  TYR  48           2HB      TYR  48 -13.612  -2.891   4.942
  381    HD1  TYR  48           2HD      TYR  48 -16.285  -1.995   7.365
  382    HD2  TYR  48           1HD      TYR  48 -14.089  -5.117   5.488
  383    HE1  TYR  48           2HE      TYR  48 -17.307  -3.626   8.897
  384    HE2  TYR  48           1HE      TYR  48 -15.106  -6.757   7.013
  385    HH   TYR  48           HH       TYR  48 -17.772  -6.299   8.693
  386    H    ASN  49           H        ASN  49 -11.809  -2.177   6.449
  387    HA   ASN  49           HA       ASN  49 -11.685  -1.597   9.289
  388    HB2  ASN  49           1HB      ASN  49 -12.910  -3.814   8.997
  389    HB3  ASN  49           2HB      ASN  49 -11.390  -4.462   8.389
  390   HD21  ASN  49          2HD2      ASN  49 -10.463  -5.643   9.886
  391   HD22  ASN  49          1HD2      ASN  49 -10.347  -5.255  11.566
  392    H    ASN  50           H        ASN  50 -10.171  -0.650   7.115
  393    HA   ASN  50           HA       ASN  50  -8.036  -0.381   6.363
  394    HB2  ASN  50           1HB      ASN  50  -7.956  -0.006   8.961
  395    HB3  ASN  50           2HB      ASN  50  -7.027  -1.502   8.952
  396   HD21  ASN  50          2HD2      ASN  50  -7.184   1.476   7.022
  397   HD22  ASN  50          1HD2      ASN  50  -5.478   1.753   7.003
  398    H    ALA  51           H        ALA  51  -8.523  -2.245   4.906
  399    HA   ALA  51           HA       ALA  51  -6.876  -4.598   5.557
  400    HB1  ALA  51           1HB      ALA  51  -8.399  -5.922   4.586
  401    HB2  ALA  51           2HB      ALA  51  -9.485  -4.543   4.770
  402    HB3  ALA  51           3HB      ALA  51  -8.651  -4.810   3.240
  403    H    VAL  52           H        VAL  52  -4.882  -4.244   4.778
  404    HA   VAL  52           HA       VAL  52  -4.607  -3.123   2.072
  405    HB   VAL  52           HB       VAL  52  -2.430  -3.439   4.137
  406   HG11  VAL  52          1HG1      VAL  52  -2.616  -2.018   1.494
  407   HG12  VAL  52          2HG1      VAL  52  -1.369  -1.648   2.687
  408   HG13  VAL  52          3HG1      VAL  52  -1.472  -3.264   1.990
  409   HG21  VAL  52          3HG2      VAL  52  -4.303  -1.154   3.598
  410   HG22  VAL  52          1HG2      VAL  52  -3.919  -1.927   5.135
  411   HG23  VAL  52          2HG2      VAL  52  -2.722  -0.908   4.338
  412    H    ASP  53           H        ASP  53  -3.225  -4.114   0.559
  413    HA   ASP  53           HA       ASP  53  -2.368  -6.852   1.185
  414    HB2  ASP  53           1HB      ASP  53  -4.107  -5.957  -1.099
  415    HB3  ASP  53           2HB      ASP  53  -3.119  -7.408  -1.226
  416    H    CYS  54           H        CYS  54  -1.177  -7.662  -1.011
  417    HA   CYS  54           HA       CYS  54   0.482  -5.548  -2.122
  418    HB2  CYS  54           1HB      CYS  54   2.569  -6.453  -1.405
  419    HB3  CYS  54           2HB      CYS  54   1.563  -6.304   0.031
  420    HG   CYS  54           HG       CYS  54   0.867  -9.062   0.013
  421    H    ASP  55           H        ASP  55   1.995  -6.423  -3.799
  422    HA   ASP  55           HA       ASP  55   0.561  -8.120  -5.572
  423    HB2  ASP  55           1HB      ASP  55   2.193  -6.214  -6.151
  424    HB3  ASP  55           2HB      ASP  55   3.468  -7.400  -5.879
  Start of MODEL   10
    1    H1   ALA   1           H        ALA   1 -15.375   1.363   2.249
    2    HA   ALA   1           HA       ALA   1 -15.580   2.295  -0.474
    3    HB1  ALA   1           1HB      ALA   1 -15.390   4.450   0.344
    4    HB2  ALA   1           2HB      ALA   1 -14.322   3.966   1.662
    5    HB3  ALA   1           3HB      ALA   1 -13.711   4.025   0.009
    6    H    LYS   2           H        LYS   2 -13.165   2.554  -1.335
    7    HA   LYS   2           HA       LYS   2 -11.295   0.734  -0.095
    8    HB2  LYS   2           1HB      LYS   2 -12.863   0.006  -2.533
    9    HB3  LYS   2           2HB      LYS   2 -11.186  -0.512  -2.421
   10    HG2  LYS   2           1HG      LYS   2 -11.939  -2.284  -1.319
   11    HG3  LYS   2           2HG      LYS   2 -12.242  -1.195   0.037
   12    HD2  LYS   2           1HD      LYS   2 -14.503  -1.003  -0.461
   13    HD3  LYS   2           2HD      LYS   2 -14.278  -1.507  -2.137
   14    HE2  LYS   2           1HE      LYS   2 -13.495  -3.750  -1.022
   15    HE3  LYS   2           2HE      LYS   2 -14.437  -3.155   0.344
   16    HZ1  LYS   2           3HZ      LYS   2 -16.059  -4.249  -0.765
   17    HZ2  LYS   2           1HZ      LYS   2 -15.335  -4.054  -2.282
   18    HZ3  LYS   2           2HZ      LYS   2 -16.187  -2.772  -1.580
   19    H    TYR   3           H        TYR   3  -9.305   0.481  -1.551
   20    HA   TYR   3           HA       TYR   3  -8.896   2.736  -3.353
   21    HB2  TYR   3           1HB      TYR   3  -6.971   2.267  -1.079
   22    HB3  TYR   3           2HB      TYR   3  -7.016   3.625  -2.199
   23    HD1  TYR   3           1HD      TYR   3  -9.051   5.182  -2.084
   24    HD2  TYR   3           2HD      TYR   3  -8.078   2.390   0.976
   25    HE1  TYR   3           1HE      TYR   3 -10.433   6.451  -0.496
   26    HE2  TYR   3           2HE      TYR   3  -9.459   3.652   2.572
   27    HH   TYR   3           HH       TYR   3 -11.160   6.614   1.592
   28    H    THR   4           H        THR   4  -6.770   2.601  -4.468
   29    HA   THR   4           HA       THR   4  -5.510  -0.022  -4.465
   30    HB   THR   4           HB       THR   4  -6.260   0.948  -7.169
   31    HG1  THR   4           1HG      THR   4  -8.289   1.052  -6.381
   32   HG21  THR   4          3HG2      THR   4  -4.931  -1.204  -6.318
   33   HG22  THR   4          1HG2      THR   4  -5.922  -1.222  -7.777
   34   HG23  THR   4          2HG2      THR   4  -6.567  -1.861  -6.264
   35    H    GLY   5           H        GLY   5  -3.403   0.009  -5.149
   36    HA2  GLY   5           1HA      GLY   5  -2.266   2.043  -6.758
   37    HA3  GLY   5           2HA      GLY   5  -1.975   2.399  -5.062
   38    H    LYS   6           H        LYS   6   0.287   2.179  -5.534
   39    HA   LYS   6           HA       LYS   6   1.158  -0.603  -5.321
   40    HB2  LYS   6           1HB      LYS   6   2.551   1.295  -7.202
   41    HB3  LYS   6           2HB      LYS   6   2.785  -0.441  -7.042
   42    HG2  LYS   6           1HG      LYS   6   1.530  -0.415  -8.930
   43    HG3  LYS   6           2HG      LYS   6   0.231  -0.478  -7.736
   44    HD2  LYS   6           1HD      LYS   6  -0.580   1.440  -8.513
   45    HD3  LYS   6           2HD      LYS   6   0.942   2.246  -8.124
   46    HE2  LYS   6           1HE      LYS   6   0.963   2.628 -10.353
   47    HE3  LYS   6           2HE      LYS   6   1.661   1.010 -10.392
   48    HZ1  LYS   6           3HZ      LYS   6  -1.043   1.884 -11.121
   49    HZ2  LYS   6           1HZ      LYS   6  -0.832   0.313 -10.528
   50    HZ3  LYS   6           2HZ      LYS   6  -0.008   0.810 -11.919
   51    H    CYS   7           H        CYS   7   3.495  -0.744  -4.697
   52    HA   CYS   7           HA       CYS   7   4.205   1.527  -2.958
   53    HB2  CYS   7           1HB      CYS   7   5.407  -0.193  -1.568
   54    HB3  CYS   7           2HB      CYS   7   3.656  -0.355  -1.588
   55    HG   CYS   7           HG       CYS   7   4.257  -2.926  -1.721
   56    H    THR   8           H        THR   8   6.523   1.817  -2.552
   57    HA   THR   8           HA       THR   8   8.072   1.247  -4.987
   58    HB   THR   8           HB       THR   8   9.326   3.195  -4.622
   59    HG1  THR   8           1HG      THR   8   9.824   3.807  -2.664
   60   HG21  THR   8          3HG2      THR   8   6.888   3.552  -5.229
   61   HG22  THR   8          1HG2      THR   8   7.732   4.946  -4.554
   62   HG23  THR   8          2HG2      THR   8   6.634   4.006  -3.543
   63    H    LYS   9           H        LYS   9  10.398   0.872  -4.723
   64    HA   LYS   9           HA       LYS   9  10.912  -1.200  -2.869
   65    HB2  LYS   9           1HB      LYS   9  13.033   0.358  -4.337
   66    HB3  LYS   9           2HB      LYS   9  13.079  -1.324  -3.824
   67    HG2  LYS   9           1HG      LYS   9  11.177  -1.728  -5.442
   68    HG3  LYS   9           2HG      LYS   9  11.501  -0.112  -6.073
   69    HD2  LYS   9           1HD      LYS   9  12.716  -1.567  -7.465
   70    HD3  LYS   9           2HD      LYS   9  13.913  -0.885  -6.361
   71    HE2  LYS   9           1HE      LYS   9  12.864  -3.197  -5.125
   72    HE3  LYS   9           2HE      LYS   9  13.214  -3.623  -6.800
   73    HZ1  LYS   9           3HZ      LYS   9  15.275  -2.083  -5.477
   74    HZ2  LYS   9           1HZ      LYS   9  15.409  -3.446  -6.470
   75    HZ3  LYS   9           2HZ      LYS   9  15.028  -3.628  -4.833
   76    H    SER  10           H        SER  10  11.497   2.240  -2.829
   77    HA   SER  10           HA       SER  10  13.401   2.297  -0.742
   78    HB2  SER  10           1HB      SER  10  13.112   4.626  -0.730
   79    HB3  SER  10           2HB      SER  10  12.713   4.175  -2.388
   80    HG   SER  10           HG       SER  10  11.185   5.621  -1.390
   81    H    LYS  11           H        LYS  11  10.012   1.766  -0.777
   82    HA   LYS  11           HA       LYS  11   9.909   1.101   1.960
   83    HB2  LYS  11           1HB      LYS  11   9.734   3.844   1.544
   84    HB3  LYS  11           2HB      LYS  11   8.059   3.338   1.723
   85    HG2  LYS  11           1HG      LYS  11  10.225   2.623   3.682
   86    HG3  LYS  11           2HG      LYS  11   9.196   4.049   3.833
   87    HD2  LYS  11           1HD      LYS  11   7.291   2.787   4.232
   88    HD3  LYS  11           2HD      LYS  11   7.971   1.341   3.483
   89    HE2  LYS  11           1HE      LYS  11   9.177   0.776   5.352
   90    HE3  LYS  11           2HE      LYS  11   9.278   2.441   5.923
   91    HZ1  LYS  11           3HZ      LYS  11   7.009   0.561   6.140
   92    HZ2  LYS  11           1HZ      LYS  11   6.787   2.231   6.301
   93    HZ3  LYS  11           2HZ      LYS  11   7.802   1.406   7.373
   94    H    ASN  12           H        ASN  12   8.329  -0.345   2.182
   95    HA   ASN  12           HA       ASN  12   6.469  -0.767   0.024
   96    HB2  ASN  12           1HB      ASN  12   7.496  -2.686   1.124
   97    HB3  ASN  12           2HB      ASN  12   6.803  -2.200   2.667
   98   HD21  ASN  12          2HD2      ASN  12   6.127  -4.562   2.299
   99   HD22  ASN  12          1HD2      ASN  12   4.567  -4.784   1.590
  100    H    GLU  13           H        GLU  13   5.565   1.487   0.484
  101    HA   GLU  13           HA       GLU  13   3.369   1.261   2.436
  102    HB2  GLU  13           1HB      GLU  13   3.473   3.593   2.851
  103    HB3  GLU  13           2HB      GLU  13   5.130   3.009   2.931
  104    HG2  GLU  13           1HG      GLU  13   5.073   3.698   0.362
  105    HG3  GLU  13           2HG      GLU  13   3.841   4.804   0.968
  106    H    CYS  14           H        CYS  14   1.320   1.816   1.793
  107    HA   CYS  14           HA       CYS  14   0.818   1.746  -1.037
  108    HB2  CYS  14           1HB      CYS  14  -0.681   0.538   0.415
  109    HB3  CYS  14           2HB      CYS  14  -1.025   1.990   1.346
  110    HG   CYS  14           HG       CYS  14  -1.769   2.591  -1.782
  111    H    LYS  15           H        LYS  15   1.239   3.545  -2.161
  112    HA   LYS  15           HA       LYS  15   0.624   6.160  -1.030
  113    HB2  LYS  15           1HB      LYS  15   1.721   7.005  -3.123
  114    HB3  LYS  15           2HB      LYS  15   2.756   6.020  -2.099
  115    HG2  LYS  15           1HG      LYS  15   2.948   4.384  -3.634
  116    HG3  LYS  15           2HG      LYS  15   1.289   4.577  -4.207
  117    HD2  LYS  15           1HD      LYS  15   1.862   6.356  -5.616
  118    HD3  LYS  15           2HD      LYS  15   3.388   6.645  -4.777
  119    HE2  LYS  15           1HE      LYS  15   3.750   4.099  -5.607
  120    HE3  LYS  15           2HE      LYS  15   2.721   4.713  -6.899
  121    HZ1  LYS  15           3HZ      LYS  15   4.357   5.986  -7.694
  122    HZ2  LYS  15           1HZ      LYS  15   5.395   5.008  -6.784
  123    HZ3  LYS  15           2HZ      LYS  15   4.867   6.489  -6.162
  124    H    TYR  16           H        TYR  16  -1.721   5.573  -1.101
  125    HA   TYR  16           HA       TYR  16  -2.877   5.869  -3.785
  126    HB2  TYR  16           1HB      TYR  16  -4.855   4.868  -2.964
  127    HB3  TYR  16           2HB      TYR  16  -3.542   3.933  -2.259
  128    HD1  TYR  16           1HD      TYR  16  -2.820   4.551   0.137
  129    HD2  TYR  16           2HD      TYR  16  -6.504   5.789  -1.595
  130    HE1  TYR  16           1HE      TYR  16  -3.735   4.951   2.384
  131    HE2  TYR  16           2HE      TYR  16  -7.429   6.194   0.647
  132    HH   TYR  16           HH       TYR  16  -7.028   6.207   2.830
  133    H    LYS  17           H        LYS  17  -5.337   6.863  -3.233
  134    HA   LYS  17           HA       LYS  17  -4.893   9.405  -1.833
  135    HB2  LYS  17           1HB      LYS  17  -6.075  10.589  -3.678
  136    HB3  LYS  17           2HB      LYS  17  -4.519   9.919  -4.155
  137    HG2  LYS  17           1HG      LYS  17  -5.815   7.930  -5.050
  138    HG3  LYS  17           2HG      LYS  17  -7.265   8.913  -4.834
  139    HD2  LYS  17           1HD      LYS  17  -5.568  10.622  -6.153
  140    HD3  LYS  17           2HD      LYS  17  -5.182   9.060  -6.877
  141    HE2  LYS  17           1HE      LYS  17  -7.194   8.887  -7.887
  142    HE3  LYS  17           2HE      LYS  17  -8.051   9.627  -6.536
  143    HZ1  LYS  17           3HZ      LYS  17  -6.455  11.592  -7.703
  144    HZ2  LYS  17           1HZ      LYS  17  -8.144  11.495  -7.690
  145    HZ3  LYS  17           2HZ      LYS  17  -7.267  10.804  -8.961
  146    H    ASN  18           H        ASN  18  -6.496   9.904  -0.486
  147    HA   ASN  18           HA       ASN  18  -9.075   8.520  -0.829
  148    HB2  ASN  18           1HB      ASN  18  -9.260   8.236   1.457
  149    HB3  ASN  18           2HB      ASN  18  -7.517   8.097   1.250
  150   HD21  ASN  18          2HD2      ASN  18  -6.362  10.277   1.370
  151   HD22  ASN  18          1HD2      ASN  18  -6.846  11.312   2.666
  152    H    ASP  19           H        ASP  19 -10.943   9.707   0.181
  153    HA   ASP  19           HA       ASP  19 -12.275  11.546   0.408
  154    HB2  ASP  19           1HB      ASP  19 -10.172  12.412   1.661
  155    HB3  ASP  19           2HB      ASP  19  -9.882  13.351   0.199
  156    H    ALA  20           H        ALA  20  -9.617  12.781  -1.621
  157    HA   ALA  20           HA       ALA  20 -10.917  12.474  -4.083
  158    HB1  ALA  20           1HB      ALA  20 -11.481  14.901  -4.489
  159    HB2  ALA  20           2HB      ALA  20 -12.562  14.032  -3.399
  160    HB3  ALA  20           3HB      ALA  20 -11.349  15.134  -2.745
  161    H    GLY  21           H        GLY  21  -8.462  11.879  -3.731
  162    HA2  GLY  21           1HA      GLY  21  -6.490  12.255  -4.953
  163    HA3  GLY  21           2HA      GLY  21  -6.976  13.928  -5.179
  164    H    LYS  22           H        LYS  22  -7.195  12.670  -1.991
  165    HA   LYS  22           HA       LYS  22  -5.193  14.527  -1.074
  166    HB2  LYS  22           1HB      LYS  22  -7.478  13.524   0.030
  167    HB3  LYS  22           2HB      LYS  22  -6.254  12.562   0.848
  168    HG2  LYS  22           1HG      LYS  22  -6.185  15.566   0.724
  169    HG3  LYS  22           2HG      LYS  22  -6.951  14.657   2.031
  170    HD2  LYS  22           1HD      LYS  22  -4.828  13.589   2.555
  171    HD3  LYS  22           2HD      LYS  22  -4.053  14.433   1.213
  172    HE2  LYS  22           1HE      LYS  22  -5.293  16.427   2.724
  173    HE3  LYS  22           2HE      LYS  22  -4.570  15.336   3.905
  174    HZ1  LYS  22           3HZ      LYS  22  -3.277  17.301   2.517
  175    HZ2  LYS  22           1HZ      LYS  22  -2.806  15.881   1.727
  176    HZ3  LYS  22           2HZ      LYS  22  -2.546  16.050   3.390
  177    H    ASP  23           H        ASP  23  -3.105  14.099  -0.869
  178    HA   ASP  23           HA       ASP  23  -1.934  11.634  -1.458
  179    HB2  ASP  23           1HB      ASP  23  -1.014  14.223  -0.375
  180    HB3  ASP  23           2HB      ASP  23  -0.000  12.839   0.023
  181    H    THR  24           H        THR  24  -1.990   9.810  -0.342
  182    HA   THR  24           HA       THR  24  -1.739   9.918   2.580
  183    HB   THR  24           HB       THR  24  -3.765   8.237   1.091
  184    HG1  THR  24           1HG      THR  24  -4.362  10.063   3.154
  185   HG21  THR  24          3HG2      THR  24  -2.806   6.981   2.941
  186   HG22  THR  24          1HG2      THR  24  -4.454   7.471   3.333
  187   HG23  THR  24          2HG2      THR  24  -3.086   8.337   4.034
  188    H    PHE  25           H        PHE  25  -0.307   8.508   3.379
  189    HA   PHE  25           HA       PHE  25   0.494   6.221   1.712
  190    HB2  PHE  25           1HB      PHE  25   2.384   8.028   3.235
  191    HB3  PHE  25           2HB      PHE  25   2.840   6.596   2.320
  192    HD1  PHE  25           1HD      PHE  25   1.392   9.986   2.008
  193    HD2  PHE  25           2HD      PHE  25   3.247   6.715   0.016
  194    HE1  PHE  25           1HE      PHE  25   1.656  11.370  -0.010
  195    HE2  PHE  25           2HE      PHE  25   3.515   8.093  -2.005
  196    HZ   PHE  25           HZ       PHE  25   2.719  10.423  -2.019
  197    H    ILE  26           H        ILE  26   0.545   4.337   2.760
  198    HA   ILE  26           HA       ILE  26   0.887   4.309   5.667
  199    HB   ILE  26           HB       ILE  26  -1.515   4.301   5.386
  200   HG12  ILE  26          1HG1      ILE  26  -0.796   1.429   5.919
  201   HG13  ILE  26          2HG1      ILE  26  -0.285   2.707   7.018
  202   HG21  ILE  26          1HG2      ILE  26  -1.441   3.441   3.027
  203   HG22  ILE  26          2HG2      ILE  26  -1.232   1.824   3.698
  204   HG23  ILE  26          3HG2      ILE  26  -2.700   2.738   4.042
  205   HD11  ILE  26          3HD1      ILE  26  -2.608   3.337   7.375
  206   HD12  ILE  26          1HD1      ILE  26  -3.128   2.076   6.257
  207   HD13  ILE  26          2HD1      ILE  26  -2.335   1.640   7.772
  208    H    LYS  27           H        LYS  27   2.382   2.872   6.199
  209    HA   LYS  27           HA       LYS  27   3.658   1.170   4.408
  210    HB2  LYS  27           1HB      LYS  27   4.691   0.131   6.380
  211    HB3  LYS  27           2HB      LYS  27   4.685   1.886   6.502
  212    HG2  LYS  27           1HG      LYS  27   2.590   1.646   7.900
  213    HG3  LYS  27           2HG      LYS  27   2.947  -0.082   7.959
  214    HD2  LYS  27           1HD      LYS  27   5.027   1.938   8.716
  215    HD3  LYS  27           2HD      LYS  27   3.791   1.440   9.874
  216    HE2  LYS  27           1HE      LYS  27   4.773  -0.922   8.722
  217    HE3  LYS  27           2HE      LYS  27   6.188   0.076   9.058
  218    HZ1  LYS  27           3HZ      LYS  27   4.542   0.264  11.277
  219    HZ2  LYS  27           1HZ      LYS  27   6.022  -0.548  11.161
  220    HZ3  LYS  27           2HZ      LYS  27   4.577  -1.376  10.866
  221    H    CYS  28           H        CYS  28   3.461  -0.960   3.869
  222    HA   CYS  28           HA       CYS  28   0.972  -2.271   4.715
  223    HB2  CYS  28           1HB      CYS  28   2.695  -3.014   2.349
  224    HB3  CYS  28           2HB      CYS  28   1.038  -3.511   2.672
  225    HG   CYS  28           HG       CYS  28   0.558  -0.455   2.606
  226    HA   PRO  29           HA       PRO  29   3.099  -5.436   6.886
  227    HB2  PRO  29           1HB      PRO  29   1.464  -7.557   6.446
  228    HB3  PRO  29           2HB      PRO  29   1.033  -6.221   7.518
  229    HG2  PRO  29           1HG      PRO  29   0.210  -6.716   4.682
  230    HG3  PRO  29           2HG      PRO  29  -0.771  -6.163   6.052
  231    HD2  PRO  29           1HD      PRO  29   0.187  -4.469   4.168
  232    HD3  PRO  29           2HD      PRO  29  -0.035  -3.986   5.862
  233    H    LYS  30           H        LYS  30   4.874  -6.545   6.386
  234    HA   LYS  30           HA       LYS  30   4.881  -8.370   4.120
  235    HB2  LYS  30           1HB      LYS  30   6.912  -7.443   3.150
  236    HB3  LYS  30           2HB      LYS  30   5.639  -6.230   3.169
  237    HG2  LYS  30           1HG      LYS  30   7.646  -6.358   5.382
  238    HG3  LYS  30           2HG      LYS  30   8.032  -5.559   3.856
  239    HD2  LYS  30           1HD      LYS  30   5.845  -4.270   4.191
  240    HD3  LYS  30           2HD      LYS  30   5.897  -4.862   5.853
  241    HE2  LYS  30           1HE      LYS  30   8.443  -3.912   5.474
  242    HE3  LYS  30           2HE      LYS  30   7.468  -2.770   4.550
  243    HZ1  LYS  30           3HZ      LYS  30   6.422  -2.015   6.405
  244    HZ2  LYS  30           1HZ      LYS  30   7.900  -2.447   7.104
  245    HZ3  LYS  30           2HZ      LYS  30   6.567  -3.477   7.242
  246    H    PHE  31           H        PHE  31   4.855  -9.066   6.756
  247    HA   PHE  31           HA       PHE  31   7.525  -9.464   7.750
  248    HB2  PHE  31           1HB      PHE  31   4.978 -10.781   8.703
  249    HB3  PHE  31           2HB      PHE  31   6.485 -10.604   9.597
  250    HD1  PHE  31           1HD      PHE  31   7.280  -7.975   9.591
  251    HD2  PHE  31           2HD      PHE  31   3.284  -9.436   9.433
  252    HE1  PHE  31           1HE      PHE  31   6.469  -5.854  10.538
  253    HE2  PHE  31           2HE      PHE  31   2.469  -7.317  10.378
  254    HZ   PHE  31           HZ       PHE  31   4.062  -5.521  10.931
  255    H    ASP  32           H        ASP  32   8.493 -10.596   5.999
  256    HA   ASP  32           HA       ASP  32   9.141 -12.424   4.802
  257    HB2  ASP  32           1HB      ASP  32   9.277 -13.076   7.405
  258    HB3  ASP  32           2HB      ASP  32   8.117 -14.291   6.873
  259    H    ASN  33           H        ASN  33   6.571 -11.484   4.155
  260    HA   ASN  33           HA       ASN  33   5.248 -14.001   3.385
  261    HB2  ASN  33           1HB      ASN  33   4.015 -12.599   5.124
  262    HB3  ASN  33           2HB      ASN  33   3.784 -11.404   3.851
  263   HD21  ASN  33          2HD2      ASN  33   3.454 -14.913   4.289
  264   HD22  ASN  33          1HD2      ASN  33   1.920 -15.036   3.503
  265    H    LYS  34           H        LYS  34   6.069 -10.696   2.525
  266    HA   LYS  34           HA       LYS  34   6.528 -11.236  -0.166
  267    HB2  LYS  34           1HB      LYS  34   3.730 -10.822   0.487
  268    HB3  LYS  34           2HB      LYS  34   4.308  -9.618  -0.657
  269    HG2  LYS  34           1HG      LYS  34   4.965 -12.471  -1.165
  270    HG3  LYS  34           2HG      LYS  34   3.313 -11.919  -1.455
  271    HD2  LYS  34           1HD      LYS  34   4.699  -9.945  -2.663
  272    HD3  LYS  34           2HD      LYS  34   5.808 -11.297  -2.903
  273    HE2  LYS  34           1HE      LYS  34   4.111 -12.577  -4.004
  274    HE3  LYS  34           2HE      LYS  34   2.876 -11.388  -3.593
  275    HZ1  LYS  34           3HZ      LYS  34   5.213 -10.644  -5.234
  276    HZ2  LYS  34           1HZ      LYS  34   3.710  -9.876  -5.122
  277    HZ3  LYS  34           2HZ      LYS  34   3.848 -11.352  -5.938
  278    H    LYS  35           H        LYS  35   8.259  -9.922   0.814
  279    HA   LYS  35           HA       LYS  35   7.754  -7.150   1.368
  280    HB2  LYS  35           1HB      LYS  35   9.906  -8.991   1.733
  281    HB3  LYS  35           2HB      LYS  35  10.518  -7.599   0.850
  282    HG2  LYS  35           1HG      LYS  35   9.752  -6.109   2.584
  283    HG3  LYS  35           2HG      LYS  35   8.998  -7.453   3.446
  284    HD2  LYS  35           1HD      LYS  35  11.318  -8.491   3.540
  285    HD3  LYS  35           2HD      LYS  35  11.927  -6.919   3.017
  286    HE2  LYS  35           1HE      LYS  35  10.056  -6.985   5.321
  287    HE3  LYS  35           2HE      LYS  35  11.698  -7.570   5.582
  288    HZ1  LYS  35           3HZ      LYS  35  10.763  -4.896   5.319
  289    HZ2  LYS  35           1HZ      LYS  35  11.985  -5.219   4.195
  290    HZ3  LYS  35           2HZ      LYS  35  12.270  -5.457   5.845
  291    H    CYS  36           H        CYS  36   7.830  -5.466   0.012
  292    HA   CYS  36           HA       CYS  36   7.684  -5.716  -2.728
  293    HB2  CYS  36           1HB      CYS  36   7.859  -3.351  -2.857
  294    HB3  CYS  36           2HB      CYS  36   7.087  -3.696  -1.313
  295    HG   CYS  36           HG       CYS  36  10.452  -3.284  -1.356
  296    H    THR  37           H        THR  37   9.109  -5.443  -4.439
  297    HA   THR  37           HA       THR  37  11.932  -5.051  -3.937
  298    HB   THR  37           HB       THR  37  12.469  -7.184  -5.273
  299    HG1  THR  37           1HG      THR  37  10.645  -8.120  -5.877
  300   HG21  THR  37          3HG2      THR  37  11.364  -7.714  -2.528
  301   HG22  THR  37          1HG2      THR  37  12.811  -6.736  -2.773
  302   HG23  THR  37          2HG2      THR  37  12.785  -8.419  -3.300
  303    H    LYS  38           H        LYS  38  10.027  -3.551  -5.372
  304    HA   LYS  38           HA       LYS  38  11.379  -3.026  -7.743
  305    HB2  LYS  38           1HB      LYS  38   9.640  -5.270  -7.968
  306    HB3  LYS  38           2HB      LYS  38   8.935  -3.948  -8.890
  307    HG2  LYS  38           1HG      LYS  38  10.614  -3.930 -10.418
  308    HG3  LYS  38           2HG      LYS  38  11.827  -4.476  -9.257
  309    HD2  LYS  38           1HD      LYS  38  11.427  -6.659  -9.670
  310    HD3  LYS  38           2HD      LYS  38   9.691  -6.411  -9.861
  311    HE2  LYS  38           1HE      LYS  38  10.903  -5.097 -12.022
  312    HE3  LYS  38           2HE      LYS  38  11.737  -6.643 -11.869
  313    HZ1  LYS  38           3HZ      LYS  38   8.790  -6.304 -12.045
  314    HZ2  LYS  38           1HZ      LYS  38   9.624  -7.775 -11.972
  315    HZ3  LYS  38           2HZ      LYS  38   9.794  -6.773 -13.323
  316    H    ASP  39           H        ASP  39  10.906  -0.988  -8.244
  317    HA   ASP  39           HA       ASP  39   9.142   0.606  -6.880
  318    HB2  ASP  39           1HB      ASP  39  11.024   1.126  -8.690
  319    HB3  ASP  39           2HB      ASP  39   9.621   1.270  -9.746
  320    H    ASN  40           H        ASN  40   7.010   0.860  -6.840
  321    HA   ASN  40           HA       ASN  40   4.801   0.661  -7.343
  322    HB2  ASN  40           1HB      ASN  40   5.263   0.419 -10.261
  323    HB3  ASN  40           2HB      ASN  40   4.175   1.486  -9.376
  324   HD21  ASN  40          2HD2      ASN  40   4.993   3.417  -8.500
  325   HD22  ASN  40          1HD2      ASN  40   6.448   4.128  -9.103
  326    H    ASN  41           H        ASN  41   5.133  -1.537  -6.389
  327    HA   ASN  41           HA       ASN  41   5.071  -3.739  -8.289
  328    HB2  ASN  41           1HB      ASN  41   5.666  -3.419  -5.448
  329    HB3  ASN  41           2HB      ASN  41   4.642  -4.815  -5.771
  330   HD21  ASN  41          2HD2      ASN  41   6.591  -5.916  -4.941
  331   HD22  ASN  41          1HD2      ASN  41   7.831  -6.330  -6.072
  332    H    LYS  42           H        LYS  42   3.160  -3.376  -5.330
  333    HA   LYS  42           HA       LYS  42   0.659  -2.968  -6.490
  334    HB2  LYS  42           1HB      LYS  42   0.802  -5.063  -7.593
  335    HB3  LYS  42           2HB      LYS  42   1.440  -5.859  -6.161
  336    HG2  LYS  42           1HG      LYS  42  -0.604  -6.128  -5.227
  337    HG3  LYS  42           2HG      LYS  42  -1.242  -4.638  -5.924
  338    HD2  LYS  42           1HD      LYS  42  -0.567  -6.809  -7.819
  339    HD3  LYS  42           2HD      LYS  42  -1.961  -7.079  -6.769
  340    HE2  LYS  42           1HE      LYS  42  -3.207  -5.528  -7.820
  341    HE3  LYS  42           2HE      LYS  42  -1.849  -4.419  -8.005
  342    HZ1  LYS  42           3HZ      LYS  42  -2.944  -6.247  -9.887
  343    HZ2  LYS  42           1HZ      LYS  42  -1.289  -6.527  -9.671
  344    HZ3  LYS  42           2HZ      LYS  42  -1.835  -4.995 -10.132
  345    H    CYS  43           H        CYS  43  -0.954  -2.790  -4.953
  346    HA   CYS  43           HA       CYS  43  -0.799  -3.926  -2.359
  347    HB2  CYS  43           1HB      CYS  43  -0.348  -1.937  -1.047
  348    HB3  CYS  43           2HB      CYS  43   0.995  -2.224  -2.148
  349    HG   CYS  43           HG       CYS  43  -1.472  -0.039  -3.005
  350    H    THR  44           H        THR  44  -2.664  -3.567  -1.144
  351    HA   THR  44           HA       THR  44  -4.723  -1.875  -2.389
  352    HB   THR  44           HB       THR  44  -6.275  -3.850  -1.426
  353    HG1  THR  44           1HG      THR  44  -5.105  -5.820  -2.268
  354   HG21  THR  44          3HG2      THR  44  -5.966  -4.836  -3.872
  355   HG22  THR  44          1HG2      THR  44  -5.051  -3.345  -4.090
  356   HG23  THR  44          2HG2      THR  44  -6.742  -3.278  -3.591
  357    H    VAL  45           H        VAL  45  -6.486  -1.289  -0.942
  358    HA   VAL  45           HA       VAL  45  -6.047  -1.678   1.905
  359    HB   VAL  45           HB       VAL  45  -6.031   1.079   0.670
  360   HG11  VAL  45          1HG1      VAL  45  -7.339   1.061   2.716
  361   HG12  VAL  45          2HG1      VAL  45  -6.026   0.246   3.570
  362   HG13  VAL  45          3HG1      VAL  45  -5.806   1.893   2.977
  363   HG21  VAL  45          3HG2      VAL  45  -3.923  -0.423   2.220
  364   HG22  VAL  45          1HG2      VAL  45  -3.880  -0.033   0.501
  365   HG23  VAL  45          2HG2      VAL  45  -3.805   1.259   1.700
  366    H    ASP  46           H        ASP  46  -7.903  -1.609   3.067
  367    HA   ASP  46           HA       ASP  46 -10.348  -0.808   1.626
  368    HB2  ASP  46           1HB      ASP  46  -9.880  -3.319   2.275
  369    HB3  ASP  46           2HB      ASP  46 -10.425  -2.790   3.865
  370    H    THR  47           H        THR  47 -12.100   0.011   2.943
  371    HA   THR  47           HA       THR  47 -11.084   1.588   5.194
  372    HB   THR  47           HB       THR  47 -12.946   3.056   4.891
  373    HG1  THR  47           1HG      THR  47 -14.761   2.340   4.085
  374   HG21  THR  47          3HG2      THR  47 -11.960   4.025   3.144
  375   HG22  THR  47          1HG2      THR  47 -12.631   2.818   2.049
  376   HG23  THR  47          2HG2      THR  47 -11.085   2.523   2.846
  377    H    TYR  48           H        TYR  48 -12.824  -1.213   4.614
  378    HA   TYR  48           HA       TYR  48 -14.907  -1.209   6.422
  379    HB2  TYR  48           1HB      TYR  48 -14.601  -3.082   4.955
  380    HB3  TYR  48           2HB      TYR  48 -13.024  -3.441   5.647
  381    HD1  TYR  48           2HD      TYR  48 -16.627  -3.228   6.586
  382    HD2  TYR  48           1HD      TYR  48 -12.848  -5.041   7.322
  383    HE1  TYR  48           2HE      TYR  48 -17.684  -4.774   8.181
  384    HE2  TYR  48           1HE      TYR  48 -13.895  -6.591   8.917
  385    HH   TYR  48           HH       TYR  48 -15.776  -7.231   9.899
  386    H    ASN  49           H        ASN  49 -11.523  -2.129   7.043
  387    HA   ASN  49           HA       ASN  49 -11.798  -1.234   9.794
  388    HB2  ASN  49           1HB      ASN  49 -10.824  -3.370  10.670
  389    HB3  ASN  49           2HB      ASN  49 -12.457  -3.536  10.034
  390   HD21  ASN  49          2HD2      ASN  49 -11.758  -5.823  10.019
  391   HD22  ASN  49          1HD2      ASN  49 -10.957  -6.412   8.605
  392    H    ASN  50           H        ASN  50 -10.348  -0.170   7.629
  393    HA   ASN  50           HA       ASN  50  -8.271   0.528   6.997
  394    HB2  ASN  50           1HB      ASN  50  -8.528   1.181   9.524
  395    HB3  ASN  50           2HB      ASN  50  -7.289  -0.045   9.769
  396   HD21  ASN  50          2HD2      ASN  50  -7.828   2.409   7.266
  397   HD22  ASN  50          1HD2      ASN  50  -6.274   3.148   7.416
  398    H    ALA  51           H        ALA  51  -8.440  -1.808   5.967
  399    HA   ALA  51           HA       ALA  51  -6.358  -3.586   6.964
  400    HB1  ALA  51           1HB      ALA  51  -8.572  -3.825   4.997
  401    HB2  ALA  51           2HB      ALA  51  -7.167  -4.875   4.806
  402    HB3  ALA  51           3HB      ALA  51  -8.096  -4.909   6.305
  403    H    VAL  52           H        VAL  52  -4.448  -4.007   5.937
  404    HA   VAL  52           HA       VAL  52  -3.881  -2.544   3.450
  405    HB   VAL  52           HB       VAL  52  -1.908  -2.730   5.723
  406   HG11  VAL  52          1HG1      VAL  52  -0.834  -0.860   4.401
  407   HG12  VAL  52          2HG1      VAL  52  -0.788  -2.460   3.657
  408   HG13  VAL  52          3HG1      VAL  52  -1.954  -1.259   3.099
  409   HG21  VAL  52          3HG2      VAL  52  -4.008  -0.705   5.136
  410   HG22  VAL  52          1HG2      VAL  52  -3.400  -1.287   6.685
  411   HG23  VAL  52          2HG2      VAL  52  -2.447  -0.148   5.736
  412    H    ASP  53           H        ASP  53  -2.959  -3.761   1.932
  413    HA   ASP  53           HA       ASP  53  -1.681  -6.286   2.757
  414    HB2  ASP  53           1HB      ASP  53  -3.401  -5.723   0.336
  415    HB3  ASP  53           2HB      ASP  53  -2.448  -7.191   0.537
  416    H    CYS  54           H        CYS  54  -0.218  -7.161   0.960
  417    HA   CYS  54           HA       CYS  54   1.240  -4.946  -0.319
  418    HB2  CYS  54           1HB      CYS  54   3.348  -5.951   0.260
  419    HB3  CYS  54           2HB      CYS  54   2.399  -5.787   1.733
  420    HG   CYS  54           HG       CYS  54   3.526  -8.167   2.169
  421    H    ASP  55           H        ASP  55   2.730  -5.733  -2.071
  422    HA   ASP  55           HA       ASP  55   1.266  -7.196  -3.981
  423    HB2  ASP  55           1HB      ASP  55   2.835  -5.577  -4.762
  424    HB3  ASP  55           2HB      ASP  55   4.158  -6.334  -3.877
  Start of MODEL   11
    1    H1   ALA   1           H        ALA   1 -15.973   0.969   1.749
    2    HA   ALA   1           HA       ALA   1 -15.775   2.023  -0.715
    3    HB1  ALA   1           1HB      ALA   1 -13.944   3.914   0.370
    4    HB2  ALA   1           2HB      ALA   1 -15.367   4.201  -0.633
    5    HB3  ALA   1           3HB      ALA   1 -15.520   4.157   1.124
    6    H    LYS   2           H        LYS   2 -13.257   2.542  -1.303
    7    HA   LYS   2           HA       LYS   2 -11.437   0.913   0.250
    8    HB2  LYS   2           1HB      LYS   2 -12.348   0.115  -2.513
    9    HB3  LYS   2           2HB      LYS   2 -10.848  -0.465  -1.802
   10    HG2  LYS   2           1HG      LYS   2 -12.334  -1.242   0.154
   11    HG3  LYS   2           2HG      LYS   2 -13.666  -1.044  -0.987
   12    HD2  LYS   2           1HD      LYS   2 -12.982  -3.314  -1.119
   13    HD3  LYS   2           2HD      LYS   2 -12.378  -2.517  -2.574
   14    HE2  LYS   2           1HE      LYS   2 -10.171  -2.342  -1.602
   15    HE3  LYS   2           2HE      LYS   2 -10.756  -3.012  -0.079
   16    HZ1  LYS   2           3HZ      LYS   2 -11.450  -4.982  -1.618
   17    HZ2  LYS   2           1HZ      LYS   2  -9.859  -4.854  -1.056
   18    HZ3  LYS   2           2HZ      LYS   2 -10.241  -4.366  -2.629
   19    H    TYR   3           H        TYR   3  -9.253   0.775  -0.993
   20    HA   TYR   3           HA       TYR   3  -8.784   3.147  -2.635
   21    HB2  TYR   3           1HB      TYR   3  -7.063   2.573  -0.223
   22    HB3  TYR   3           2HB      TYR   3  -7.027   3.994  -1.260
   23    HD1  TYR   3           2HD      TYR   3  -9.256   5.384  -1.327
   24    HD2  TYR   3           1HD      TYR   3  -8.214   2.674   1.784
   25    HE1  TYR   3           2HE      TYR   3 -10.817   6.533   0.188
   26    HE2  TYR   3           1HE      TYR   3  -9.773   3.815   3.307
   27    HH   TYR   3           HH       TYR   3 -10.766   6.337   3.375
   28    H    THR   4           H        THR   4  -7.781   2.441  -4.385
   29    HA   THR   4           HA       THR   4  -5.993   0.119  -4.174
   30    HB   THR   4           HB       THR   4  -7.879  -0.034  -5.794
   31    HG1  THR   4           1HG      THR   4  -6.421  -1.340  -6.609
   32   HG21  THR   4          3HG2      THR   4  -7.844   2.384  -6.432
   33   HG22  THR   4          1HG2      THR   4  -7.884   1.279  -7.805
   34   HG23  THR   4          2HG2      THR   4  -6.373   2.068  -7.351
   35    H    GLY   5           H        GLY   5  -3.876   0.221  -4.754
   36    HA2  GLY   5           1HA      GLY   5  -2.803   2.437  -6.244
   37    HA3  GLY   5           2HA      GLY   5  -2.398   2.501  -4.536
   38    H    LYS   6           H        LYS   6  -0.178   2.300  -5.115
   39    HA   LYS   6           HA       LYS   6   0.601  -0.491  -5.544
   40    HB2  LYS   6           1HB      LYS   6   2.074   1.752  -6.909
   41    HB3  LYS   6           2HB      LYS   6   2.211   0.023  -7.199
   42    HG2  LYS   6           1HG      LYS   6  -0.081   0.022  -8.106
   43    HG3  LYS   6           2HG      LYS   6  -0.141   1.773  -7.886
   44    HD2  LYS   6           1HD      LYS   6   0.470   1.561 -10.114
   45    HD3  LYS   6           2HD      LYS   6   2.025   1.780  -9.308
   46    HE2  LYS   6           1HE      LYS   6   2.330  -0.001 -10.823
   47    HE3  LYS   6           2HE      LYS   6   2.186  -0.745  -9.232
   48    HZ1  LYS   6           3HZ      LYS   6   0.594  -1.998 -10.103
   49    HZ2  LYS   6           1HZ      LYS   6   0.556  -1.097 -11.535
   50    HZ3  LYS   6           2HZ      LYS   6  -0.378  -0.618 -10.210
   51    H    CYS   7           H        CYS   7   3.280  -0.323  -5.441
   52    HA   CYS   7           HA       CYS   7   3.856   1.127  -2.943
   53    HB2  CYS   7           1HB      CYS   7   3.769  -1.669  -3.306
   54    HB3  CYS   7           2HB      CYS   7   5.473  -1.244  -3.196
   55    HG   CYS   7           HG       CYS   7   3.387  -1.689  -0.780
   56    H    THR   8           H        THR   8   6.450   0.791  -2.607
   57    HA   THR   8           HA       THR   8   7.847   1.280  -5.120
   58    HB   THR   8           HB       THR   8   7.245   3.520  -4.600
   59    HG1  THR   8           1HG      THR   8   9.299   3.797  -5.108
   60   HG21  THR   8          3HG2      THR   8   6.550   3.171  -2.276
   61   HG22  THR   8          1HG2      THR   8   7.645   4.547  -2.413
   62   HG23  THR   8          2HG2      THR   8   8.238   3.006  -1.793
   63    H    LYS   9           H        LYS   9   9.933   0.619  -5.094
   64    HA   LYS   9           HA       LYS   9  10.852  -1.146  -3.167
   65    HB2  LYS   9           1HB      LYS   9  12.517   0.525  -5.060
   66    HB3  LYS   9           2HB      LYS   9  13.054  -0.933  -4.235
   67    HG2  LYS   9           1HG      LYS   9  11.791  -2.317  -5.568
   68    HG3  LYS   9           2HG      LYS   9  10.644  -1.043  -5.987
   69    HD2  LYS   9           1HD      LYS   9  12.071  -1.625  -7.889
   70    HD3  LYS   9           2HD      LYS   9  12.338   0.041  -7.370
   71    HE2  LYS   9           1HE      LYS   9  14.086  -1.827  -6.001
   72    HE3  LYS   9           2HE      LYS   9  14.273  -1.908  -7.752
   73    HZ1  LYS   9           3HZ      LYS   9  14.135   0.787  -6.934
   74    HZ2  LYS   9           1HZ      LYS   9  15.400  -0.020  -7.716
   75    HZ3  LYS   9           2HZ      LYS   9  15.322  -0.007  -6.027
   76    H    SER  10           H        SER  10  11.130   2.327  -3.321
   77    HA   SER  10           HA       SER  10  13.219   2.720  -1.499
   78    HB2  SER  10           1HB      SER  10  12.579   4.970  -1.449
   79    HB3  SER  10           2HB      SER  10  11.972   4.426  -3.013
   80    HG   SER  10           HG       SER  10  10.581   5.108  -0.694
   81    H    LYS  11           H        LYS  11   9.943   1.749  -1.023
   82    HA   LYS  11           HA       LYS  11  10.349   1.027   1.663
   83    HB2  LYS  11           1HB      LYS  11   9.876   3.745   1.407
   84    HB3  LYS  11           2HB      LYS  11   8.290   3.092   1.801
   85    HG2  LYS  11           1HG      LYS  11  10.582   2.165   3.433
   86    HG3  LYS  11           2HG      LYS  11  10.039   3.829   3.657
   87    HD2  LYS  11           1HD      LYS  11   8.036   3.201   4.542
   88    HD3  LYS  11           2HD      LYS  11   7.957   1.717   3.590
   89    HE2  LYS  11           1HE      LYS  11   9.355   0.561   5.058
   90    HE3  LYS  11           2HE      LYS  11   9.980   2.044   5.777
   91    HZ1  LYS  11           3HZ      LYS  11   7.913   2.407   6.880
   92    HZ2  LYS  11           1HZ      LYS  11   8.393   0.818   7.206
   93    HZ3  LYS  11           2HZ      LYS  11   7.177   1.118   6.070
   94    H    ASN  12           H        ASN  12   8.925  -0.525   2.149
   95    HA   ASN  12           HA       ASN  12   6.830  -1.143   0.278
   96    HB2  ASN  12           1HB      ASN  12   8.248  -2.880   1.388
   97    HB3  ASN  12           2HB      ASN  12   7.457  -2.490   2.912
   98   HD21  ASN  12          2HD2      ASN  12   5.462  -3.280   3.333
   99   HD22  ASN  12          1HD2      ASN  12   4.606  -4.349   2.280
  100    H    GLU  13           H        GLU  13   5.749   0.991   0.753
  101    HA   GLU  13           HA       GLU  13   3.820   0.623   2.947
  102    HB2  GLU  13           1HB      GLU  13   3.864   2.919   3.488
  103    HB3  GLU  13           2HB      GLU  13   5.551   2.449   3.337
  104    HG2  GLU  13           1HG      GLU  13   5.625   3.402   1.094
  105    HG3  GLU  13           2HG      GLU  13   3.928   3.862   1.231
  106    H    CYS  14           H        CYS  14   1.703   1.002   2.482
  107    HA   CYS  14           HA       CYS  14   0.843   0.839  -0.179
  108    HB2  CYS  14           1HB      CYS  14  -0.575   0.040   1.596
  109    HB3  CYS  14           2HB      CYS  14  -0.639   1.638   2.329
  110    HG   CYS  14           HG       CYS  14  -1.796   2.416  -0.424
  111    H    LYS  15           H        LYS  15   0.259   2.315  -1.674
  112    HA   LYS  15           HA       LYS  15   0.367   5.156  -0.894
  113    HB2  LYS  15           1HB      LYS  15   2.342   4.750  -2.155
  114    HB3  LYS  15           2HB      LYS  15   1.469   3.797  -3.350
  115    HG2  LYS  15           1HG      LYS  15   0.369   5.757  -4.191
  116    HG3  LYS  15           2HG      LYS  15   1.065   6.747  -2.907
  117    HD2  LYS  15           1HD      LYS  15   2.569   7.226  -4.540
  118    HD3  LYS  15           2HD      LYS  15   3.320   5.749  -3.931
  119    HE2  LYS  15           1HE      LYS  15   3.165   4.900  -5.979
  120    HE3  LYS  15           2HE      LYS  15   1.411   4.914  -5.801
  121    HZ1  LYS  15           3HZ      LYS  15   2.121   7.495  -6.455
  122    HZ2  LYS  15           1HZ      LYS  15   1.364   6.363  -7.459
  123    HZ3  LYS  15           2HZ      LYS  15   3.049   6.514  -7.473
  124    H    TYR  16           H        TYR  16  -1.799   5.544  -0.762
  125    HA   TYR  16           HA       TYR  16  -3.326   5.217  -3.258
  126    HB2  TYR  16           1HB      TYR  16  -5.293   4.622  -2.054
  127    HB3  TYR  16           2HB      TYR  16  -4.000   3.604  -1.430
  128    HD1  TYR  16           2HD      TYR  16  -2.911   4.258   0.768
  129    HD2  TYR  16           1HD      TYR  16  -6.526   6.020  -0.621
  130    HE1  TYR  16           2HE      TYR  16  -3.412   5.015   3.053
  131    HE2  TYR  16           1HE      TYR  16  -7.036   6.784   1.660
  132    HH   TYR  16           HH       TYR  16  -6.308   5.905   4.102
  133    H    LYS  17           H        LYS  17  -5.444   6.620  -3.039
  134    HA   LYS  17           HA       LYS  17  -4.651   9.264  -2.006
  135    HB2  LYS  17           1HB      LYS  17  -5.745   8.444  -4.646
  136    HB3  LYS  17           2HB      LYS  17  -6.321   9.966  -3.976
  137    HG2  LYS  17           1HG      LYS  17  -4.537  10.860  -4.967
  138    HG3  LYS  17           2HG      LYS  17  -3.623  10.176  -3.621
  139    HD2  LYS  17           1HD      LYS  17  -3.758   8.039  -5.277
  140    HD3  LYS  17           2HD      LYS  17  -3.738   9.359  -6.449
  141    HE2  LYS  17           1HE      LYS  17  -1.798   9.682  -4.291
  142    HE3  LYS  17           2HE      LYS  17  -1.534   8.232  -5.260
  143    HZ1  LYS  17           3HZ      LYS  17  -1.147   9.456  -7.146
  144    HZ2  LYS  17           1HZ      LYS  17  -0.482  10.476  -5.970
  145    HZ3  LYS  17           2HZ      LYS  17  -2.015  10.802  -6.604
  146    H    ASN  18           H        ASN  18  -6.026  10.206  -0.638
  147    HA   ASN  18           HA       ASN  18  -8.765   9.130  -0.469
  148    HB2  ASN  18           1HB      ASN  18  -8.690   9.116   1.831
  149    HB3  ASN  18           2HB      ASN  18  -7.000   8.773   1.473
  150   HD21  ASN  18          2HD2      ASN  18  -5.712  10.907   1.094
  151   HD22  ASN  18          1HD2      ASN  18  -5.927  12.100   2.324
  152    H    ASP  19           H        ASP  19 -10.307  10.700   0.600
  153    HA   ASP  19           HA       ASP  19 -11.345  12.729   0.714
  154    HB2  ASP  19           1HB      ASP  19  -8.990  13.428   1.557
  155    HB3  ASP  19           2HB      ASP  19  -8.794  14.119  -0.051
  156    H    ALA  20           H        ALA  20  -8.866  13.289  -1.785
  157    HA   ALA  20           HA       ALA  20 -10.633  12.922  -3.967
  158    HB1  ALA  20           1HB      ALA  20 -10.968  15.190  -4.688
  159    HB2  ALA  20           2HB      ALA  20 -11.580  15.019  -3.043
  160    HB3  ALA  20           3HB      ALA  20 -10.028  15.804  -3.329
  161    H    GLY  21           H        GLY  21  -8.056  12.046  -3.345
  162    HA2  GLY  21           1HA      GLY  21  -6.388  11.644  -5.061
  163    HA3  GLY  21           2HA      GLY  21  -6.524  13.337  -5.511
  164    H    LYS  22           H        LYS  22  -6.532  12.709  -2.153
  165    HA   LYS  22           HA       LYS  22  -3.981  14.038  -1.864
  166    HB2  LYS  22           1HB      LYS  22  -6.325  13.762  -0.297
  167    HB3  LYS  22           2HB      LYS  22  -5.005  13.057   0.628
  168    HG2  LYS  22           1HG      LYS  22  -4.864  15.794  -0.605
  169    HG3  LYS  22           2HG      LYS  22  -5.454  15.496   1.032
  170    HD2  LYS  22           1HD      LYS  22  -3.222  14.249   1.370
  171    HD3  LYS  22           2HD      LYS  22  -2.697  15.104  -0.082
  172    HE2  LYS  22           1HE      LYS  22  -3.367  17.239   1.042
  173    HE3  LYS  22           2HE      LYS  22  -3.646  16.308   2.512
  174    HZ1  LYS  22           3HZ      LYS  22  -1.435  15.974   2.834
  175    HZ2  LYS  22           1HZ      LYS  22  -1.355  17.464   2.037
  176    HZ3  LYS  22           2HZ      LYS  22  -1.052  16.033   1.187
  177    H    ASP  23           H        ASP  23  -2.158  12.920  -2.018
  178    HA   ASP  23           HA       ASP  23  -1.885  10.160  -1.939
  179    HB2  ASP  23           1HB      ASP  23   0.301  12.071  -1.118
  180    HB3  ASP  23           2HB      ASP  23   0.469  10.505  -1.907
  181    H    THR  24           H        THR  24  -1.981   8.723  -0.354
  182    HA   THR  24           HA       THR  24  -1.303   9.569   2.380
  183    HB   THR  24           HB       THR  24  -3.670   7.838   1.636
  184    HG1  THR  24           1HG      THR  24  -4.808   9.667   2.620
  185   HG21  THR  24          3HG2      THR  24  -2.902   7.029   3.701
  186   HG22  THR  24          1HG2      THR  24  -4.165   8.182   4.129
  187   HG23  THR  24          2HG2      THR  24  -2.468   8.639   4.271
  188    H    PHE  25           H        PHE  25  -0.348   8.016   3.684
  189    HA   PHE  25           HA       PHE  25   0.121   5.364   2.539
  190    HB2  PHE  25           1HB      PHE  25   2.390   6.990   3.682
  191    HB3  PHE  25           2HB      PHE  25   2.485   5.461   2.815
  192    HD1  PHE  25           2HD      PHE  25   1.858   9.072   2.469
  193    HD2  PHE  25           1HD      PHE  25   2.525   5.388   0.444
  194    HE1  PHE  25           2HE      PHE  25   2.198  10.296   0.362
  195    HE2  PHE  25           1HE      PHE  25   2.867   6.606  -1.666
  196    HZ   PHE  25           HZ       PHE  25   2.702   9.063  -1.709
  197    H    ILE  26           H        ILE  26   1.007   3.829   4.125
  198    HA   ILE  26           HA       ILE  26   1.107   4.454   6.890
  199    HB   ILE  26           HB       ILE  26  -1.363   4.588   6.497
  200   HG12  ILE  26          1HG1      ILE  26  -1.105   2.234   8.249
  201   HG13  ILE  26          2HG1      ILE  26   0.023   3.538   8.604
  202   HG21  ILE  26          1HG2      ILE  26  -1.434   1.617   6.284
  203   HG22  ILE  26          2HG2      ILE  26  -2.626   2.813   5.776
  204   HG23  ILE  26          3HG2      ILE  26  -1.158   2.574   4.828
  205   HD11  ILE  26          3HD1      ILE  26  -1.577   4.844   9.452
  206   HD12  ILE  26          1HD1      ILE  26  -2.734   4.415   8.193
  207   HD13  ILE  26          2HD1      ILE  26  -2.500   3.347   9.577
  208    H    LYS  27           H        LYS  27   2.754   3.087   5.071
  209    HA   LYS  27           HA       LYS  27   3.990   1.190   4.849
  210    HB2  LYS  27           1HB      LYS  27   4.694   0.328   6.818
  211    HB3  LYS  27           2HB      LYS  27   3.718   1.618   7.509
  212    HG2  LYS  27           1HG      LYS  27   1.836  -0.268   7.285
  213    HG3  LYS  27           2HG      LYS  27   3.259  -1.296   7.466
  214    HD2  LYS  27           1HD      LYS  27   3.799  -0.345   9.561
  215    HD3  LYS  27           2HD      LYS  27   2.674   0.995   9.326
  216    HE2  LYS  27           1HE      LYS  27   1.553  -1.748   9.270
  217    HE3  LYS  27           2HE      LYS  27   2.097  -1.132  10.830
  218    HZ1  LYS  27           3HZ      LYS  27   0.288   0.431   9.090
  219    HZ2  LYS  27           1HZ      LYS  27   0.579   0.621  10.746
  220    HZ3  LYS  27           2HZ      LYS  27  -0.305  -0.710  10.189
  221    H    CYS  28           H        CYS  28   3.860  -1.307   4.949
  222    HA   CYS  28           HA       CYS  28   1.118  -2.200   4.378
  223    HB2  CYS  28           1HB      CYS  28   3.425  -2.136   2.571
  224    HB3  CYS  28           2HB      CYS  28   2.647  -3.711   2.660
  225    HG   CYS  28           HG       CYS  28   1.728  -1.064   0.981
  226    HA   PRO  29           HA       PRO  29   2.033  -5.611   6.990
  227    HB2  PRO  29           1HB      PRO  29   0.371  -7.486   5.945
  228    HB3  PRO  29           2HB      PRO  29  -0.207  -6.111   6.894
  229    HG2  PRO  29           1HG      PRO  29  -0.137  -6.463   3.922
  230    HG3  PRO  29           2HG      PRO  29  -1.426  -5.793   4.940
  231    HD2  PRO  29           1HD      PRO  29   0.290  -4.230   3.546
  232    HD3  PRO  29           2HD      PRO  29  -0.399  -3.737   5.107
  233    H    LYS  30           H        LYS  30   4.237  -5.834   6.176
  234    HA   LYS  30           HA       LYS  30   4.624  -8.415   4.924
  235    HB2  LYS  30           1HB      LYS  30   5.565  -5.847   3.659
  236    HB3  LYS  30           2HB      LYS  30   6.327  -7.394   3.314
  237    HG2  LYS  30           1HG      LYS  30   3.434  -6.707   2.835
  238    HG3  LYS  30           2HG      LYS  30   4.698  -6.802   1.606
  239    HD2  LYS  30           1HD      LYS  30   5.043  -9.197   2.308
  240    HD3  LYS  30           2HD      LYS  30   3.581  -9.041   3.284
  241    HE2  LYS  30           1HE      LYS  30   3.571  -8.343   0.370
  242    HE3  LYS  30           2HE      LYS  30   3.398 -10.017   0.897
  243    HZ1  LYS  30           3HZ      LYS  30   1.398  -9.559   1.952
  244    HZ2  LYS  30           1HZ      LYS  30   1.293  -8.643   0.534
  245    HZ3  LYS  30           2HZ      LYS  30   1.672  -7.891   1.999
  246    H    PHE  31           H        PHE  31   5.178  -8.232   7.399
  247    HA   PHE  31           HA       PHE  31   7.773  -7.125   7.978
  248    HB2  PHE  31           1HB      PHE  31   6.155  -9.028   9.680
  249    HB3  PHE  31           2HB      PHE  31   7.441  -7.949  10.213
  250    HD1  PHE  31           2HD      PHE  31   7.055  -5.527  10.335
  251    HD2  PHE  31           1HD      PHE  31   3.930  -8.247   9.356
  252    HE1  PHE  31           2HE      PHE  31   5.389  -3.782  10.819
  253    HE2  PHE  31           1HE      PHE  31   2.259  -6.505   9.838
  254    HZ   PHE  31           HZ       PHE  31   2.988  -4.270  10.572
  255    H    ASP  32           H        ASP  32   9.262  -8.148   6.673
  256    HA   ASP  32           HA       ASP  32  10.665  -9.780   5.920
  257    HB2  ASP  32           1HB      ASP  32  10.330 -10.185   8.808
  258    HB3  ASP  32           2HB      ASP  32  10.905 -11.612   7.950
  259    H    ASN  33           H        ASN  33   9.136 -10.520   4.343
  260    HA   ASN  33           HA       ASN  33   8.750 -13.283   4.323
  261    HB2  ASN  33           1HB      ASN  33   7.019 -13.159   5.905
  262    HB3  ASN  33           2HB      ASN  33   6.374 -11.672   5.217
  263   HD21  ASN  33          2HD2      ASN  33   4.483 -11.990   4.320
  264   HD22  ASN  33          1HD2      ASN  33   4.002 -13.380   3.413
  265    H    LYS  34           H        LYS  34   7.678 -10.143   3.187
  266    HA   LYS  34           HA       LYS  34   8.164 -10.812   0.472
  267    HB2  LYS  34           1HB      LYS  34   5.422 -11.114   1.511
  268    HB3  LYS  34           2HB      LYS  34   5.554 -10.162   0.038
  269    HG2  LYS  34           1HG      LYS  34   5.764 -11.998  -1.176
  270    HG3  LYS  34           2HG      LYS  34   7.150 -12.519  -0.216
  271    HD2  LYS  34           1HD      LYS  34   5.539 -13.413   1.476
  272    HD3  LYS  34           2HD      LYS  34   4.234 -13.046   0.346
  273    HE2  LYS  34           1HE      LYS  34   5.933 -14.442  -1.245
  274    HE3  LYS  34           2HE      LYS  34   6.220 -15.214   0.314
  275    HZ1  LYS  34           3HZ      LYS  34   4.210 -16.165   0.295
  276    HZ2  LYS  34           1HZ      LYS  34   4.220 -15.850  -1.367
  277    HZ3  LYS  34           2HZ      LYS  34   3.435 -14.789  -0.311
  278    H    LYS  35           H        LYS  35   9.394  -8.862   1.366
  279    HA   LYS  35           HA       LYS  35   7.945  -6.390   1.568
  280    HB2  LYS  35           1HB      LYS  35  10.624  -7.314   2.073
  281    HB3  LYS  35           2HB      LYS  35  10.673  -5.848   1.103
  282    HG2  LYS  35           1HG      LYS  35   9.146  -4.796   2.797
  283    HG3  LYS  35           2HG      LYS  35   9.402  -6.226   3.801
  284    HD2  LYS  35           1HD      LYS  35  11.939  -5.290   2.919
  285    HD3  LYS  35           2HD      LYS  35  11.036  -3.916   3.561
  286    HE2  LYS  35           1HE      LYS  35  11.939  -4.674   5.503
  287    HE3  LYS  35           2HE      LYS  35  10.487  -5.674   5.476
  288    HZ1  LYS  35           3HZ      LYS  35  12.583  -6.895   5.958
  289    HZ2  LYS  35           1HZ      LYS  35  13.101  -6.553   4.385
  290    HZ3  LYS  35           2HZ      LYS  35  11.723  -7.500   4.634
  291    H    CYS  36           H        CYS  36   8.173  -4.581   0.142
  292    HA   CYS  36           HA       CYS  36   7.661  -5.087  -2.516
  293    HB2  CYS  36           1HB      CYS  36   7.192  -2.938  -1.411
  294    HB3  CYS  36           2HB      CYS  36   8.916  -2.591  -1.352
  295    HG   CYS  36           HG       CYS  36   6.900  -2.692  -4.103
  296    H    THR  37           H        THR  37   8.851  -5.037  -4.415
  297    HA   THR  37           HA       THR  37  11.724  -4.695  -4.329
  298    HB   THR  37           HB       THR  37  12.033  -6.967  -5.498
  299    HG1  THR  37           1HG      THR  37  10.450  -8.528  -4.733
  300   HG21  THR  37          3HG2      THR  37  12.722  -7.907  -3.515
  301   HG22  THR  37          1HG2      THR  37  11.296  -7.358  -2.633
  302   HG23  THR  37          2HG2      THR  37  12.580  -6.215  -3.035
  303    H    LYS  38           H        LYS  38   9.712  -3.256  -5.648
  304    HA   LYS  38           HA       LYS  38  10.739  -3.063  -8.230
  305    HB2  LYS  38           1HB      LYS  38   8.755  -5.133  -7.930
  306    HB3  LYS  38           2HB      LYS  38   8.160  -3.878  -9.009
  307    HG2  LYS  38           1HG      LYS  38  10.923  -4.794  -9.479
  308    HG3  LYS  38           2HG      LYS  38   9.638  -5.955  -9.824
  309    HD2  LYS  38           1HD      LYS  38   9.608  -3.133 -10.870
  310    HD3  LYS  38           2HD      LYS  38  10.360  -4.467 -11.747
  311    HE2  LYS  38           1HE      LYS  38   8.387  -5.163 -12.500
  312    HE3  LYS  38           2HE      LYS  38   7.721  -5.200 -10.868
  313    HZ1  LYS  38           3HZ      LYS  38   7.906  -2.773 -12.568
  314    HZ2  LYS  38           1HZ      LYS  38   7.189  -2.873 -11.039
  315    HZ3  LYS  38           2HZ      LYS  38   6.505  -3.697 -12.349
  316    H    ASP  39           H        ASP  39  10.420  -0.996  -8.688
  317    HA   ASP  39           HA       ASP  39   8.823   0.759  -7.300
  318    HB2  ASP  39           1HB      ASP  39  10.385   1.852  -8.589
  319    HB3  ASP  39           2HB      ASP  39  10.105   0.824  -9.991
  320    H    ASN  40           H        ASN  40   6.711   1.130  -7.188
  321    HA   ASN  40           HA       ASN  40   4.477   1.028  -7.599
  322    HB2  ASN  40           1HB      ASN  40   5.582   1.295 -10.388
  323    HB3  ASN  40           2HB      ASN  40   3.849   1.192 -10.094
  324   HD21  ASN  40          2HD2      ASN  40   6.507   2.838  -8.418
  325   HD22  ASN  40          1HD2      ASN  40   5.794   4.411  -8.475
  326    H    ASN  41           H        ASN  41   4.824  -1.232  -6.722
  327    HA   ASN  41           HA       ASN  41   4.593  -3.383  -8.642
  328    HB2  ASN  41           1HB      ASN  41   5.100  -3.134  -5.759
  329    HB3  ASN  41           2HB      ASN  41   4.098  -4.517  -6.191
  330   HD21  ASN  41          2HD2      ASN  41   6.733  -4.584  -5.111
  331   HD22  ASN  41          1HD2      ASN  41   7.746  -5.363  -6.274
  332    H    LYS  42           H        LYS  42   2.666  -2.995  -5.700
  333    HA   LYS  42           HA       LYS  42   0.202  -2.435  -6.887
  334    HB2  LYS  42           1HB      LYS  42   0.277  -4.527  -8.018
  335    HB3  LYS  42           2HB      LYS  42   0.824  -5.368  -6.575
  336    HG2  LYS  42           1HG      LYS  42  -1.276  -5.360  -5.611
  337    HG3  LYS  42           2HG      LYS  42  -1.834  -4.006  -6.597
  338    HD2  LYS  42           1HD      LYS  42  -1.076  -6.561  -7.938
  339    HD3  LYS  42           2HD      LYS  42  -2.629  -6.457  -7.105
  340    HE2  LYS  42           1HE      LYS  42  -2.352  -4.102  -8.635
  341    HE3  LYS  42           2HE      LYS  42  -1.884  -5.446  -9.676
  342    HZ1  LYS  42           3HZ      LYS  42  -3.961  -6.457  -9.412
  343    HZ2  LYS  42           1HZ      LYS  42  -4.320  -4.819  -9.636
  344    HZ3  LYS  42           2HZ      LYS  42  -4.378  -5.494  -8.087
  345    H    CYS  43           H        CYS  43  -1.407  -2.175  -5.367
  346    HA   CYS  43           HA       CYS  43  -1.063  -3.253  -2.696
  347    HB2  CYS  43           1HB      CYS  43  -0.738  -0.353  -3.364
  348    HB3  CYS  43           2HB      CYS  43  -1.456  -0.807  -1.824
  349    HG   CYS  43           HG       CYS  43   0.983  -2.630  -1.583
  350    H    THR  44           H        THR  44  -2.910  -2.247  -1.248
  351    HA   THR  44           HA       THR  44  -5.280  -1.322  -2.420
  352    HB   THR  44           HB       THR  44  -6.345  -3.800  -1.793
  353    HG1  THR  44           1HG      THR  44  -5.045  -5.324  -2.596
  354   HG21  THR  44          3HG2      THR  44  -5.939  -2.143  -4.165
  355   HG22  THR  44          1HG2      THR  44  -7.374  -3.014  -3.627
  356   HG23  THR  44          2HG2      THR  44  -6.116  -3.859  -4.530
  357    H    VAL  45           H        VAL  45  -6.884  -0.930  -0.901
  358    HA   VAL  45           HA       VAL  45  -6.581  -2.019   1.785
  359    HB   VAL  45           HB       VAL  45  -6.497   0.949   1.223
  360   HG11  VAL  45          1HG1      VAL  45  -6.212   0.999   3.784
  361   HG12  VAL  45          2HG1      VAL  45  -7.834   0.788   3.122
  362   HG13  VAL  45          3HG1      VAL  45  -6.947  -0.603   3.747
  363   HG21  VAL  45          3HG2      VAL  45  -4.492  -0.903   2.510
  364   HG22  VAL  45          1HG2      VAL  45  -4.345  -0.137   0.929
  365   HG23  VAL  45          2HG2      VAL  45  -4.334   0.849   2.390
  366    H    ASP  46           H        ASP  46  -8.469  -2.077   2.945
  367    HA   ASP  46           HA       ASP  46 -10.871  -1.119   1.533
  368    HB2  ASP  46           1HB      ASP  46 -10.538  -3.633   1.844
  369    HB3  ASP  46           2HB      ASP  46 -10.811  -3.351   3.561
  370    H    THR  47           H        THR  47 -12.190   0.271   2.533
  371    HA   THR  47           HA       THR  47 -11.403   1.552   4.921
  372    HB   THR  47           HB       THR  47 -13.517   2.770   4.789
  373    HG1  THR  47           1HG      THR  47 -15.178   1.794   3.936
  374   HG21  THR  47          3HG2      THR  47 -11.643   2.508   2.592
  375   HG22  THR  47          1HG2      THR  47 -12.369   3.958   3.283
  376   HG23  THR  47          2HG2      THR  47 -13.227   3.049   2.040
  377    H    TYR  48           H        TYR  48 -13.120  -1.327   4.381
  378    HA   TYR  48           HA       TYR  48 -14.970  -1.449   6.421
  379    HB2  TYR  48           1HB      TYR  48 -14.798  -3.235   4.813
  380    HB3  TYR  48           2HB      TYR  48 -13.165  -3.621   5.342
  381    HD1  TYR  48           2HD      TYR  48 -16.688  -3.517   6.547
  382    HD2  TYR  48           1HD      TYR  48 -12.825  -5.249   6.977
  383    HE1  TYR  48           2HE      TYR  48 -17.601  -5.142   8.152
  384    HE2  TYR  48           1HE      TYR  48 -13.727  -6.880   8.582
  385    HH   TYR  48           HH       TYR  48 -16.619  -6.553  10.104
  386    H    ASN  49           H        ASN  49 -11.579  -2.549   6.608
  387    HA   ASN  49           HA       ASN  49 -11.424  -1.636   9.358
  388    HB2  ASN  49           1HB      ASN  49 -10.762  -3.776  10.279
  389    HB3  ASN  49           2HB      ASN  49 -12.339  -3.947   9.515
  390   HD21  ASN  49          2HD2      ASN  49 -10.983  -6.181   9.991
  391   HD22  ASN  49          1HD2      ASN  49 -10.342  -6.850   8.533
  392    H    ASN  50           H        ASN  50 -10.145  -0.749   7.016
  393    HA   ASN  50           HA       ASN  50  -8.098  -0.284   6.125
  394    HB2  ASN  50           1HB      ASN  50  -7.974   0.360   8.683
  395    HB3  ASN  50           2HB      ASN  50  -6.810  -0.960   8.737
  396   HD21  ASN  50          2HD2      ASN  50  -7.588   1.982   6.932
  397   HD22  ASN  50          1HD2      ASN  50  -5.949   2.440   6.634
  398    H    ALA  51           H        ALA  51  -8.859  -2.818   5.493
  399    HA   ALA  51           HA       ALA  51  -6.791  -4.716   6.141
  400    HB1  ALA  51           1HB      ALA  51  -8.218  -5.676   3.939
  401    HB2  ALA  51           2HB      ALA  51  -8.461  -6.091   5.636
  402    HB3  ALA  51           3HB      ALA  51  -9.391  -4.782   4.907
  403    H    VAL  52           H        VAL  52  -4.833  -4.017   5.390
  404    HA   VAL  52           HA       VAL  52  -4.509  -2.999   2.715
  405    HB   VAL  52           HB       VAL  52  -2.335  -3.846   4.631
  406   HG11  VAL  52          1HG1      VAL  52  -1.066  -2.074   3.356
  407   HG12  VAL  52          2HG1      VAL  52  -1.449  -3.542   2.456
  408   HG13  VAL  52          3HG1      VAL  52  -2.396  -2.077   2.197
  409   HG21  VAL  52          3HG2      VAL  52  -2.565  -1.061   4.659
  410   HG22  VAL  52          1HG2      VAL  52  -4.212  -1.669   4.820
  411   HG23  VAL  52          2HG2      VAL  52  -2.969  -2.179   5.962
  412    H    ASP  53           H        ASP  53  -3.318  -3.973   1.038
  413    HA   ASP  53           HA       ASP  53  -2.613  -6.787   1.304
  414    HB2  ASP  53           1HB      ASP  53  -4.857  -5.746  -0.364
  415    HB3  ASP  53           2HB      ASP  53  -3.876  -7.055  -1.017
  416    H    CYS  54           H        CYS  54  -0.477  -6.182   0.966
  417    HA   CYS  54           HA       CYS  54   0.419  -4.502  -1.104
  418    HB2  CYS  54           1HB      CYS  54   1.599  -5.671   1.046
  419    HB3  CYS  54           2HB      CYS  54   2.244  -6.664  -0.256
  420    HG   CYS  54           HG       CYS  54   4.133  -5.041  -0.833
  421    H    ASP  55           H        ASP  55   2.136  -5.479  -2.729
  422    HA   ASP  55           HA       ASP  55   0.654  -6.947  -4.640
  423    HB2  ASP  55           1HB      ASP  55   2.377  -5.358  -5.315
  424    HB3  ASP  55           2HB      ASP  55   3.614  -6.330  -4.523
  Start of MODEL   12
    1    H1   ALA   1           H        ALA   1 -16.089   2.470   1.213
    2    HA   ALA   1           HA       ALA   1 -15.838   3.083  -1.659
    3    HB1  ALA   1           1HB      ALA   1 -13.910   4.615  -0.353
    4    HB2  ALA   1           2HB      ALA   1 -15.394   5.191  -1.113
    5    HB3  ALA   1           3HB      ALA   1 -15.378   4.804   0.607
    6    H    LYS   2           H        LYS   2 -13.450   3.144  -2.318
    7    HA   LYS   2           HA       LYS   2 -11.734   1.351  -0.812
    8    HB2  LYS   2           1HB      LYS   2 -12.819   0.666  -3.543
    9    HB3  LYS   2           2HB      LYS   2 -11.368  -0.075  -2.882
   10    HG2  LYS   2           1HG      LYS   2 -12.842  -1.637  -2.203
   11    HG3  LYS   2           2HG      LYS   2 -13.041  -0.526  -0.846
   12    HD2  LYS   2           1HD      LYS   2 -15.174  -0.176  -1.377
   13    HD3  LYS   2           2HD      LYS   2 -14.740   0.252  -3.034
   14    HE2  LYS   2           1HE      LYS   2 -14.437  -2.439  -3.104
   15    HE3  LYS   2           2HE      LYS   2 -15.739  -2.287  -1.926
   16    HZ1  LYS   2           3HZ      LYS   2 -16.936  -2.334  -3.842
   17    HZ2  LYS   2           1HZ      LYS   2 -15.720  -1.613  -4.773
   18    HZ3  LYS   2           2HZ      LYS   2 -16.675  -0.665  -3.747
   19    H    TYR   3           H        TYR   3  -9.590   1.065  -1.989
   20    HA   TYR   3           HA       TYR   3  -8.938   3.268  -3.787
   21    HB2  TYR   3           1HB      TYR   3  -7.288   2.835  -1.302
   22    HB3  TYR   3           2HB      TYR   3  -7.218   4.180  -2.436
   23    HD1  TYR   3           1HD      TYR   3  -8.945   5.928  -2.398
   24    HD2  TYR   3           2HD      TYR   3  -8.924   2.775   0.460
   25    HE1  TYR   3           1HE      TYR   3 -10.494   7.210  -0.980
   26    HE2  TYR   3           2HE      TYR   3 -10.474   4.047   1.884
   27    HH   TYR   3           HH       TYR   3 -12.299   6.480   0.901
   28    H    THR   4           H        THR   4  -6.540   3.112  -4.423
   29    HA   THR   4           HA       THR   4  -5.451   0.420  -4.322
   30    HB   THR   4           HB       THR   4  -5.227   1.026  -7.039
   31    HG1  THR   4           1HG      THR   4  -7.519   1.203  -7.580
   32   HG21  THR   4          3HG2      THR   4  -7.274  -0.836  -5.854
   33   HG22  THR   4          1HG2      THR   4  -5.547  -1.186  -5.828
   34   HG23  THR   4          2HG2      THR   4  -6.388  -1.008  -7.368
   35    H    GLY   5           H        GLY   5  -3.310   0.311  -5.481
   36    HA2  GLY   5           1HA      GLY   5  -1.855   2.463  -6.394
   37    HA3  GLY   5           2HA      GLY   5  -1.698   2.517  -4.645
   38    H    LYS   6           H        LYS   6   0.598   2.256  -5.836
   39    HA   LYS   6           HA       LYS   6   1.234  -0.621  -5.777
   40    HB2  LYS   6           1HB      LYS   6   2.912   1.500  -7.108
   41    HB3  LYS   6           2HB      LYS   6   3.006  -0.244  -7.312
   42    HG2  LYS   6           1HG      LYS   6   0.440   0.283  -8.085
   43    HG3  LYS   6           2HG      LYS   6   1.305   1.716  -8.646
   44    HD2  LYS   6           1HD      LYS   6   2.915  -0.507  -9.285
   45    HD3  LYS   6           2HD      LYS   6   1.266  -0.924  -9.757
   46    HE2  LYS   6           1HE      LYS   6   2.527   1.703 -10.492
   47    HE3  LYS   6           2HE      LYS   6   2.721   0.261 -11.488
   48    HZ1  LYS   6           3HZ      LYS   6   0.071   1.330 -10.702
   49    HZ2  LYS   6           1HZ      LYS   6   0.410   0.165 -11.882
   50    HZ3  LYS   6           2HZ      LYS   6   0.856   1.777 -12.133
   51    H    CYS   7           H        CYS   7   3.584  -1.024  -5.137
   52    HA   CYS   7           HA       CYS   7   4.118   0.522  -2.703
   53    HB2  CYS   7           1HB      CYS   7   4.259  -2.282  -3.386
   54    HB3  CYS   7           2HB      CYS   7   5.807  -1.721  -2.765
   55    HG   CYS   7           HG       CYS   7   4.967  -2.386  -0.406
   56    H    THR   8           H        THR   8   6.650   0.263  -2.153
   57    HA   THR   8           HA       THR   8   8.197   1.017  -4.534
   58    HB   THR   8           HB       THR   8   9.241   2.615  -2.508
   59    HG1  THR   8           1HG      THR   8   6.395   2.817  -2.541
   60   HG21  THR   8          3HG2      THR   8   8.527   2.908  -5.095
   61   HG22  THR   8          1HG2      THR   8   8.975   4.254  -4.048
   62   HG23  THR   8          2HG2      THR   8   7.273   3.871  -4.315
   63    H    LYS   9           H        LYS   9  10.171   0.133  -4.619
   64    HA   LYS   9           HA       LYS   9  10.972  -1.918  -2.940
   65    HB2  LYS   9           1HB      LYS   9  12.745  -0.148  -4.635
   66    HB3  LYS   9           2HB      LYS   9  13.176  -1.733  -4.008
   67    HG2  LYS   9           1HG      LYS   9  10.981  -2.437  -5.311
   68    HG3  LYS   9           2HG      LYS   9  11.388  -1.001  -6.253
   69    HD2  LYS   9           1HD      LYS   9  13.222  -3.336  -5.711
   70    HD3  LYS   9           2HD      LYS   9  12.370  -3.023  -7.226
   71    HE2  LYS   9           1HE      LYS   9  13.596  -0.687  -7.003
   72    HE3  LYS   9           2HE      LYS   9  14.721  -1.641  -6.037
   73    HZ1  LYS   9           3HZ      LYS   9  14.834  -3.204  -7.962
   74    HZ2  LYS   9           1HZ      LYS   9  15.491  -1.673  -8.258
   75    HZ3  LYS   9           2HZ      LYS   9  13.966  -2.071  -8.871
   76    H    SER  10           H        SER  10  11.553   1.521  -2.695
   77    HA   SER  10           HA       SER  10  13.511   1.250  -0.594
   78    HB2  SER  10           1HB      SER  10  13.306   3.748  -0.467
   79    HB3  SER  10           2HB      SER  10  13.726   3.145  -2.070
   80    HG   SER  10           HG       SER  10  12.094   4.661  -2.278
   81    H    LYS  11           H        LYS  11  10.080   1.566  -0.851
   82    HA   LYS  11           HA       LYS  11   9.838   1.313   2.036
   83    HB2  LYS  11           1HB      LYS  11   9.526   3.814   0.820
   84    HB3  LYS  11           2HB      LYS  11   7.888   3.239   1.096
   85    HG2  LYS  11           1HG      LYS  11   8.217   4.239   3.091
   86    HG3  LYS  11           2HG      LYS  11   8.931   2.673   3.484
   87    HD2  LYS  11           1HD      LYS  11  11.014   4.083   2.324
   88    HD3  LYS  11           2HD      LYS  11  10.174   5.293   3.299
   89    HE2  LYS  11           1HE      LYS  11  10.942   2.593   4.377
   90    HE3  LYS  11           2HE      LYS  11  12.030   3.979   4.439
   91    HZ1  LYS  11           3HZ      LYS  11   9.729   3.388   6.052
   92    HZ2  LYS  11           1HZ      LYS  11   9.710   4.963   5.435
   93    HZ3  LYS  11           2HZ      LYS  11  11.025   4.433   6.358
   94    H    ASN  12           H        ASN  12   8.603  -0.422   2.280
   95    HA   ASN  12           HA       ASN  12   6.755  -1.262   0.237
   96    HB2  ASN  12           1HB      ASN  12   8.023  -2.958   1.410
   97    HB3  ASN  12           2HB      ASN  12   7.403  -2.403   2.962
   98   HD21  ASN  12          2HD2      ASN  12   5.966  -3.737   3.760
   99   HD22  ASN  12          1HD2      ASN  12   4.780  -4.620   2.866
  100    H    GLU  13           H        GLU  13   5.459   0.754   0.417
  101    HA   GLU  13           HA       GLU  13   3.293   0.346   2.351
  102    HB2  GLU  13           1HB      GLU  13   3.165   2.714   2.856
  103    HB3  GLU  13           2HB      GLU  13   4.771   2.114   3.245
  104    HG2  GLU  13           1HG      GLU  13   5.428   2.963   0.913
  105    HG3  GLU  13           2HG      GLU  13   3.921   3.875   0.981
  106    H    CYS  14           H        CYS  14   1.265   1.289   1.712
  107    HA   CYS  14           HA       CYS  14   0.958   1.304  -1.183
  108    HB2  CYS  14           1HB      CYS  14  -0.580  -0.100   0.039
  109    HB3  CYS  14           2HB      CYS  14  -1.058   1.243   1.069
  110    HG   CYS  14           HG       CYS  14  -3.086   1.870  -0.357
  111    H    LYS  15           H        LYS  15   1.119   3.167  -2.225
  112    HA   LYS  15           HA       LYS  15   0.418   5.656  -0.847
  113    HB2  LYS  15           1HB      LYS  15   1.549   6.732  -2.824
  114    HB3  LYS  15           2HB      LYS  15   2.591   5.734  -1.820
  115    HG2  LYS  15           1HG      LYS  15   3.072   4.366  -3.505
  116    HG3  LYS  15           2HG      LYS  15   1.381   4.235  -3.991
  117    HD2  LYS  15           1HD      LYS  15   2.490   6.849  -4.588
  118    HD3  LYS  15           2HD      LYS  15   3.396   5.549  -5.367
  119    HE2  LYS  15           1HE      LYS  15   1.013   4.679  -6.004
  120    HE3  LYS  15           2HE      LYS  15   0.540   6.352  -5.711
  121    HZ1  LYS  15           3HZ      LYS  15   1.274   5.616  -8.066
  122    HZ2  LYS  15           1HZ      LYS  15   2.842   5.779  -7.449
  123    HZ3  LYS  15           2HZ      LYS  15   1.796   7.107  -7.462
  124    H    TYR  16           H        TYR  16  -1.742   5.948  -1.010
  125    HA   TYR  16           HA       TYR  16  -2.845   6.138  -3.728
  126    HB2  TYR  16           1HB      TYR  16  -4.885   5.074  -3.082
  127    HB3  TYR  16           2HB      TYR  16  -3.573   4.020  -2.570
  128    HD1  TYR  16           1HD      TYR  16  -2.973   3.870  -0.169
  129    HD2  TYR  16           2HD      TYR  16  -6.362   6.074  -1.493
  130    HE1  TYR  16           1HE      TYR  16  -3.862   3.868   2.124
  131    HE2  TYR  16           2HE      TYR  16  -7.260   6.080   0.797
  132    HH   TYR  16           HH       TYR  16  -6.741   5.696   2.979
  133    H    LYS  17           H        LYS  17  -5.139   7.236  -3.525
  134    HA   LYS  17           HA       LYS  17  -4.749   9.639  -1.871
  135    HB2  LYS  17           1HB      LYS  17  -4.760  10.108  -4.255
  136    HB3  LYS  17           2HB      LYS  17  -6.292   9.263  -4.444
  137    HG2  LYS  17           1HG      LYS  17  -6.705  11.226  -2.475
  138    HG3  LYS  17           2HG      LYS  17  -5.807  11.998  -3.784
  139    HD2  LYS  17           1HD      LYS  17  -8.103  10.249  -4.500
  140    HD3  LYS  17           2HD      LYS  17  -8.451  11.836  -3.810
  141    HE2  LYS  17           1HE      LYS  17  -6.557  12.467  -5.649
  142    HE3  LYS  17           2HE      LYS  17  -7.355  11.108  -6.441
  143    HZ1  LYS  17           3HZ      LYS  17  -8.358  13.255  -7.008
  144    HZ2  LYS  17           1HZ      LYS  17  -8.749  13.507  -5.382
  145    HZ3  LYS  17           2HZ      LYS  17  -9.459  12.231  -6.234
  146    H    ASN  18           H        ASN  18  -6.250  10.229  -0.411
  147    HA   ASN  18           HA       ASN  18  -8.826   8.810  -0.411
  148    HB2  ASN  18           1HB      ASN  18  -8.680   8.222   1.829
  149    HB3  ASN  18           2HB      ASN  18  -7.017   7.997   1.296
  150   HD21  ASN  18          2HD2      ASN  18  -5.750  10.186   1.418
  151   HD22  ASN  18          1HD2      ASN  18  -5.877  10.995   2.938
  152    H    ASP  19           H        ASP  19 -10.259   9.908   1.415
  153    HA   ASP  19           HA       ASP  19 -11.452  11.737   2.056
  154    HB2  ASP  19           1HB      ASP  19  -9.448  12.489   3.177
  155    HB3  ASP  19           2HB      ASP  19  -8.782  13.103   1.666
  156    H    ALA  20           H        ALA  20  -9.306  13.500  -0.132
  157    HA   ALA  20           HA       ALA  20 -11.037  13.438  -2.374
  158    HB1  ALA  20           1HB      ALA  20 -12.437  14.814  -0.891
  159    HB2  ALA  20           2HB      ALA  20 -11.124  15.986  -0.763
  160    HB3  ALA  20           3HB      ALA  20 -11.902  15.700  -2.320
  161    H    GLY  21           H        GLY  21  -8.370  12.985  -2.188
  162    HA2  GLY  21           1HA      GLY  21  -6.832  13.704  -3.957
  163    HA3  GLY  21           2HA      GLY  21  -7.227  15.361  -3.522
  164    H    LYS  22           H        LYS  22  -6.982  13.427  -0.788
  165    HA   LYS  22           HA       LYS  22  -4.458  14.673  -0.077
  166    HB2  LYS  22           1HB      LYS  22  -6.073  14.768   1.646
  167    HB3  LYS  22           2HB      LYS  22  -6.502  13.074   1.447
  168    HG2  LYS  22           1HG      LYS  22  -4.531  12.340   2.494
  169    HG3  LYS  22           2HG      LYS  22  -3.779  13.933   2.370
  170    HD2  LYS  22           1HD      LYS  22  -5.078  14.815   4.086
  171    HD3  LYS  22           2HD      LYS  22  -6.309  13.560   3.931
  172    HE2  LYS  22           1HE      LYS  22  -5.030  13.196   5.946
  173    HE3  LYS  22           2HE      LYS  22  -4.691  11.909   4.790
  174    HZ1  LYS  22           3HZ      LYS  22  -2.610  12.863   4.271
  175    HZ2  LYS  22           1HZ      LYS  22  -2.712  12.861   5.959
  176    HZ3  LYS  22           2HZ      LYS  22  -2.962  14.296   5.099
  177    H    ASP  23           H        ASP  23  -2.563  13.610   0.393
  178    HA   ASP  23           HA       ASP  23  -2.276  10.983  -0.810
  179    HB2  ASP  23           1HB      ASP  23   0.148  11.347  -0.452
  180    HB3  ASP  23           2HB      ASP  23  -0.606  12.664  -1.347
  181    H    THR  24           H        THR  24  -1.636   9.130   0.240
  182    HA   THR  24           HA       THR  24  -1.206   9.207   3.124
  183    HB   THR  24           HB       THR  24  -3.402   7.555   1.859
  184    HG1  THR  24           1HG      THR  24  -4.648   8.827   3.459
  185   HG21  THR  24          3HG2      THR  24  -3.850   6.774   4.147
  186   HG22  THR  24          1HG2      THR  24  -2.427   7.645   4.717
  187   HG23  THR  24          2HG2      THR  24  -2.244   6.295   3.597
  188    H    PHE  25           H        PHE  25   0.207   7.697   3.806
  189    HA   PHE  25           HA       PHE  25   0.885   5.508   1.958
  190    HB2  PHE  25           1HB      PHE  25   2.846   7.144   3.581
  191    HB3  PHE  25           2HB      PHE  25   3.252   5.777   2.548
  192    HD1  PHE  25           2HD      PHE  25   1.900   9.219   2.534
  193    HD2  PHE  25           1HD      PHE  25   3.603   6.059   0.247
  194    HE1  PHE  25           2HE      PHE  25   2.162  10.748   0.623
  195    HE2  PHE  25           1HE      PHE  25   3.868   7.582  -1.667
  196    HZ   PHE  25           HZ       PHE  25   3.145   9.930  -1.481
  197    H    ILE  26           H        ILE  26   0.492   3.619   2.880
  198    HA   ILE  26           HA       ILE  26   0.940   3.346   5.781
  199    HB   ILE  26           HB       ILE  26  -1.445   3.291   5.363
  200   HG12  ILE  26          1HG1      ILE  26  -1.970   1.089   6.310
  201   HG13  ILE  26          2HG1      ILE  26  -0.374   0.502   5.852
  202   HG21  ILE  26          1HG2      ILE  26  -1.643   0.845   3.864
  203   HG22  ILE  26          2HG2      ILE  26  -2.347   2.426   3.528
  204   HG23  ILE  26          3HG2      ILE  26  -0.719   2.050   2.966
  205   HD11  ILE  26          3HD1      ILE  26  -0.965   1.392   8.294
  206   HD12  ILE  26          1HD1      ILE  26   0.643   1.525   7.583
  207   HD13  ILE  26          2HD1      ILE  26  -0.452   2.908   7.555
  208    H    LYS  27           H        LYS  27   2.418   1.890   6.310
  209    HA   LYS  27           HA       LYS  27   3.591   0.188   4.316
  210    HB2  LYS  27           1HB      LYS  27   4.104   0.257   7.294
  211    HB3  LYS  27           2HB      LYS  27   5.129  -0.487   6.076
  212    HG2  LYS  27           1HG      LYS  27   5.484   1.753   5.077
  213    HG3  LYS  27           2HG      LYS  27   4.562   2.451   6.411
  214    HD2  LYS  27           1HD      LYS  27   6.242   1.220   7.929
  215    HD3  LYS  27           2HD      LYS  27   7.232   1.080   6.475
  216    HE2  LYS  27           1HE      LYS  27   8.045   3.066   7.180
  217    HE3  LYS  27           2HE      LYS  27   6.614   3.695   6.363
  218    HZ1  LYS  27           3HZ      LYS  27   5.700   4.311   8.290
  219    HZ2  LYS  27           1HZ      LYS  27   7.256   4.165   8.937
  220    HZ3  LYS  27           2HZ      LYS  27   6.153   2.893   9.093
  221    H    CYS  28           H        CYS  28   2.812  -1.722   3.743
  222    HA   CYS  28           HA       CYS  28   0.764  -3.055   5.186
  223    HB2  CYS  28           1HB      CYS  28   2.494  -4.251   3.019
  224    HB3  CYS  28           2HB      CYS  28   0.862  -4.728   3.474
  225    HG   CYS  28           HG       CYS  28   1.233  -1.546   2.426
  226    HA   PRO  29           HA       PRO  29   3.000  -5.590   7.983
  227    HB2  PRO  29           1HB      PRO  29   1.425  -7.801   8.054
  228    HB3  PRO  29           2HB      PRO  29   0.964  -6.267   8.805
  229    HG2  PRO  29           1HG      PRO  29   0.132  -7.411   6.167
  230    HG3  PRO  29           2HG      PRO  29  -0.854  -6.589   7.390
  231    HD2  PRO  29           1HD      PRO  29   0.039  -5.339   5.160
  232    HD3  PRO  29           2HD      PRO  29  -0.184  -4.493   6.705
  233    H    LYS  30           H        LYS  30   4.603  -5.694   6.021
  234    HA   LYS  30           HA       LYS  30   5.158  -8.528   5.588
  235    HB2  LYS  30           1HB      LYS  30   5.231  -6.535   3.319
  236    HB3  LYS  30           2HB      LYS  30   5.568  -8.258   3.222
  237    HG2  LYS  30           1HG      LYS  30   2.897  -7.124   4.014
  238    HG3  LYS  30           2HG      LYS  30   3.329  -7.566   2.361
  239    HD2  LYS  30           1HD      LYS  30   3.448  -9.834   2.867
  240    HD3  LYS  30           2HD      LYS  30   3.639  -9.537   4.596
  241    HE2  LYS  30           1HE      LYS  30   1.445 -10.313   4.385
  242    HE3  LYS  30           2HE      LYS  30   1.275  -8.562   4.499
  243    HZ1  LYS  30           3HZ      LYS  30   0.211  -8.590   2.574
  244    HZ2  LYS  30           1HZ      LYS  30   0.408 -10.265   2.449
  245    HZ3  LYS  30           2HZ      LYS  30   1.575  -9.227   1.803
  246    H    PHE  31           H        PHE  31   6.503  -7.219   7.418
  247    HA   PHE  31           HA       PHE  31   8.936  -6.138   6.195
  248    HB2  PHE  31           1HB      PHE  31   9.504  -5.538   8.596
  249    HB3  PHE  31           2HB      PHE  31   8.112  -4.710   7.906
  250    HD1  PHE  31           1HD      PHE  31   9.233  -7.206  10.328
  251    HD2  PHE  31           2HD      PHE  31   5.878  -5.160   8.694
  252    HE1  PHE  31           1HE      PHE  31   7.850  -7.975  12.214
  253    HE2  PHE  31           2HE      PHE  31   4.491  -5.923  10.577
  254    HZ   PHE  31           HZ       PHE  31   5.476  -7.332  12.340
  255    H    ASP  32           H        ASP  32   8.529  -8.875   5.875
  256    HA   ASP  32           HA       ASP  32  10.960  -9.956   6.623
  257    HB2  ASP  32           1HB      ASP  32   9.116  -9.940   8.801
  258    HB3  ASP  32           2HB      ASP  32   9.357 -11.610   8.296
  259    H    ASN  33           H        ASN  33   7.637 -10.390   5.750
  260    HA   ASN  33           HA       ASN  33   8.220 -13.017   4.577
  261    HB2  ASN  33           1HB      ASN  33   5.490 -11.771   4.624
  262    HB3  ASN  33           2HB      ASN  33   5.932 -13.476   4.617
  263   HD21  ASN  33          2HD2      ASN  33   6.509 -14.477   6.532
  264   HD22  ASN  33          1HD2      ASN  33   6.203 -13.766   8.076
  265    H    LYS  34           H        LYS  34   7.815  -9.732   3.776
  266    HA   LYS  34           HA       LYS  34   8.501 -10.062   1.088
  267    HB2  LYS  34           1HB      LYS  34   5.658 -10.346   1.663
  268    HB3  LYS  34           2HB      LYS  34   5.979  -9.044   0.524
  269    HG2  LYS  34           1HG      LYS  34   7.480 -11.443  -0.106
  270    HG3  LYS  34           2HG      LYS  34   5.737 -11.726  -0.070
  271    HD2  LYS  34           1HD      LYS  34   5.392 -10.530  -1.937
  272    HD3  LYS  34           2HD      LYS  34   6.503  -9.254  -1.434
  273    HE2  LYS  34           1HE      LYS  34   8.316 -10.259  -2.417
  274    HE3  LYS  34           2HE      LYS  34   7.633 -11.878  -2.271
  275    HZ1  LYS  34           3HZ      LYS  34   6.602  -9.818  -4.141
  276    HZ2  LYS  34           1HZ      LYS  34   6.167 -11.452  -4.077
  277    HZ3  LYS  34           2HZ      LYS  34   7.721 -11.010  -4.577
  278    H    LYS  35           H        LYS  35   9.799  -8.391   2.247
  279    HA   LYS  35           HA       LYS  35   8.567  -5.838   2.746
  280    HB2  LYS  35           1HB      LYS  35  10.980  -7.098   3.461
  281    HB3  LYS  35           2HB      LYS  35  11.435  -5.701   2.493
  282    HG2  LYS  35           1HG      LYS  35   9.389  -5.168   4.524
  283    HG3  LYS  35           2HG      LYS  35  10.964  -5.650   5.160
  284    HD2  LYS  35           1HD      LYS  35  10.999  -3.286   4.991
  285    HD3  LYS  35           2HD      LYS  35  11.976  -3.897   3.654
  286    HE2  LYS  35           1HE      LYS  35   9.357  -3.746   2.675
  287    HE3  LYS  35           2HE      LYS  35   9.605  -2.263   3.595
  288    HZ1  LYS  35           3HZ      LYS  35  11.514  -1.746   2.292
  289    HZ2  LYS  35           1HZ      LYS  35  10.254  -2.110   1.223
  290    HZ3  LYS  35           2HZ      LYS  35  11.473  -3.246   1.509
  291    H    CYS  36           H        CYS  36   7.879  -6.427   0.228
  292    HA   CYS  36           HA       CYS  36   7.831  -5.596  -1.887
  293    HB2  CYS  36           1HB      CYS  36   8.078  -3.434  -0.526
  294    HB3  CYS  36           2HB      CYS  36   9.773  -3.470  -0.999
  295    HG   CYS  36           HG       CYS  36   9.372  -3.104  -3.664
  296    H    THR  37           H        THR  37   9.107  -5.349  -3.855
  297    HA   THR  37           HA       THR  37  11.901  -5.714  -3.935
  298    HB   THR  37           HB       THR  37  11.336  -7.963  -3.072
  299    HG1  THR  37           1HG      THR  37  13.146  -8.007  -4.295
  300   HG21  THR  37          3HG2      THR  37   9.545  -9.050  -3.823
  301   HG22  THR  37          1HG2      THR  37  10.291  -9.167  -5.416
  302   HG23  THR  37          2HG2      THR  37   9.263  -7.789  -5.023
  303    H    LYS  38           H        LYS  38   9.983  -4.102  -5.231
  304    HA   LYS  38           HA       LYS  38  10.865  -4.159  -7.862
  305    HB2  LYS  38           1HB      LYS  38   8.868  -6.112  -7.396
  306    HB3  LYS  38           2HB      LYS  38   8.114  -4.825  -8.328
  307    HG2  LYS  38           1HG      LYS  38   9.924  -5.009  -9.991
  308    HG3  LYS  38           2HG      LYS  38  10.597  -6.357  -9.072
  309    HD2  LYS  38           1HD      LYS  38   7.735  -6.478  -9.887
  310    HD3  LYS  38           2HD      LYS  38   8.974  -6.761 -11.112
  311    HE2  LYS  38           1HE      LYS  38   9.904  -8.316  -9.113
  312    HE3  LYS  38           2HE      LYS  38   8.170  -8.410  -8.804
  313    HZ1  LYS  38           3HZ      LYS  38   7.775  -9.354 -10.877
  314    HZ2  LYS  38           1HZ      LYS  38   9.194 -10.120 -10.366
  315    HZ3  LYS  38           2HZ      LYS  38   9.270  -8.873 -11.505
  316    H    ASP  39           H        ASP  39  10.749  -2.078  -8.343
  317    HA   ASP  39           HA       ASP  39   9.321  -0.143  -7.014
  318    HB2  ASP  39           1HB      ASP  39   9.961   0.065  -9.953
  319    HB3  ASP  39           2HB      ASP  39   9.902   1.359  -8.760
  320    H    ASN  40           H        ASN  40   7.202   0.022  -6.733
  321    HA   ASN  40           HA       ASN  40   4.969   0.141  -7.148
  322    HB2  ASN  40           1HB      ASN  40   5.457   0.124 -10.106
  323    HB3  ASN  40           2HB      ASN  40   4.256   1.020  -9.181
  324   HD21  ASN  40          2HD2      ASN  40   5.763   2.235  -7.280
  325   HD22  ASN  40          1HD2      ASN  40   6.862   3.348  -8.015
  326    H    ASN  41           H        ASN  41   5.145  -2.150  -6.378
  327    HA   ASN  41           HA       ASN  41   4.877  -4.225  -8.365
  328    HB2  ASN  41           1HB      ASN  41   5.328  -4.077  -5.494
  329    HB3  ASN  41           2HB      ASN  41   4.143  -5.311  -5.909
  330   HD21  ASN  41          2HD2      ASN  41   6.752  -5.723  -4.831
  331   HD22  ASN  41          1HD2      ASN  41   7.641  -6.653  -5.985
  332    H    LYS  42           H        LYS  42   2.803  -3.756  -5.533
  333    HA   LYS  42           HA       LYS  42   0.450  -3.053  -6.864
  334    HB2  LYS  42           1HB      LYS  42   0.476  -5.149  -7.993
  335    HB3  LYS  42           2HB      LYS  42   0.880  -6.017  -6.518
  336    HG2  LYS  42           1HG      LYS  42  -1.271  -5.894  -5.696
  337    HG3  LYS  42           2HG      LYS  42  -1.684  -4.499  -6.695
  338    HD2  LYS  42           1HD      LYS  42  -1.092  -6.409  -8.568
  339    HD3  LYS  42           2HD      LYS  42  -1.856  -7.357  -7.291
  340    HE2  LYS  42           1HE      LYS  42  -3.864  -6.228  -7.475
  341    HE3  LYS  42           2HE      LYS  42  -3.116  -4.804  -8.195
  342    HZ1  LYS  42           3HZ      LYS  42  -3.491  -5.605 -10.213
  343    HZ2  LYS  42           1HZ      LYS  42  -4.388  -6.861  -9.518
  344    HZ3  LYS  42           2HZ      LYS  42  -2.744  -7.078  -9.848
  345    H    CYS  43           H        CYS  43  -1.227  -2.695  -5.443
  346    HA   CYS  43           HA       CYS  43  -1.149  -3.808  -2.773
  347    HB2  CYS  43           1HB      CYS  43  -0.205  -1.097  -3.375
  348    HB3  CYS  43           2HB      CYS  43  -1.441  -1.152  -2.123
  349    HG   CYS  43           HG       CYS  43   1.280  -3.190  -1.928
  350    H    THR  44           H        THR  44  -3.005  -2.838  -1.432
  351    HA   THR  44           HA       THR  44  -5.217  -1.757  -2.929
  352    HB   THR  44           HB       THR  44  -6.331  -4.075  -1.710
  353    HG1  THR  44           1HG      THR  44  -4.014  -4.765  -2.208
  354   HG21  THR  44          3HG2      THR  44  -5.966  -3.396  -4.630
  355   HG22  THR  44          1HG2      THR  44  -7.261  -2.786  -3.601
  356   HG23  THR  44          2HG2      THR  44  -7.153  -4.510  -3.955
  357    H    VAL  45           H        VAL  45  -6.935  -1.054  -1.607
  358    HA   VAL  45           HA       VAL  45  -6.731  -1.461   1.267
  359    HB   VAL  45           HB       VAL  45  -6.585   1.295   0.036
  360   HG11  VAL  45          1HG1      VAL  45  -8.025   1.340   1.969
  361   HG12  VAL  45          2HG1      VAL  45  -6.838   0.441   2.917
  362   HG13  VAL  45          3HG1      VAL  45  -6.479   2.083   2.379
  363   HG21  VAL  45          3HG2      VAL  45  -4.613  -0.210   1.754
  364   HG22  VAL  45          1HG2      VAL  45  -4.446   0.120   0.030
  365   HG23  VAL  45          2HG2      VAL  45  -4.431   1.449   1.187
  366    H    ASP  46           H        ASP  46  -8.669  -1.366   2.283
  367    HA   ASP  46           HA       ASP  46 -10.975  -0.425   0.709
  368    HB2  ASP  46           1HB      ASP  46 -10.609  -3.008   1.127
  369    HB3  ASP  46           2HB      ASP  46 -11.294  -2.628   2.705
  370    H    THR  47           H        THR  47 -12.831   0.262   1.982
  371    HA   THR  47           HA       THR  47 -11.964   1.667   4.389
  372    HB   THR  47           HB       THR  47 -14.001   2.976   4.182
  373    HG1  THR  47           1HG      THR  47 -14.609   1.162   2.070
  374   HG21  THR  47          3HG2      THR  47 -13.535   3.328   1.444
  375   HG22  THR  47          1HG2      THR  47 -12.001   2.776   2.115
  376   HG23  THR  47          2HG2      THR  47 -12.787   4.209   2.776
  377    H    TYR  48           H        TYR  48 -13.506  -1.192   3.597
  378    HA   TYR  48           HA       TYR  48 -15.611  -1.449   5.358
  379    HB2  TYR  48           1HB      TYR  48 -15.236  -3.221   3.837
  380    HB3  TYR  48           2HB      TYR  48 -13.580  -3.451   4.387
  381    HD1  TYR  48           2HD      TYR  48 -16.651  -3.120   6.455
  382    HD2  TYR  48           1HD      TYR  48 -13.561  -5.693   5.064
  383    HE1  TYR  48           2HE      TYR  48 -17.415  -4.868   8.008
  384    HE2  TYR  48           1HE      TYR  48 -14.317  -7.448   6.613
  385    HH   TYR  48           HH       TYR  48 -16.210  -8.105   7.868
  386    H    ASN  49           H        ASN  49 -12.221  -2.361   5.998
  387    HA   ASN  49           HA       ASN  49 -12.503  -1.513   8.758
  388    HB2  ASN  49           1HB      ASN  49 -13.205  -4.023   8.433
  389    HB3  ASN  49           2HB      ASN  49 -11.468  -4.294   8.344
  390   HD21  ASN  49          2HD2      ASN  49 -10.396  -4.534  10.177
  391   HD22  ASN  49          1HD2      ASN  49 -10.997  -4.157  11.752
  392    H    ASN  50           H        ASN  50 -10.968  -0.494   6.633
  393    HA   ASN  50           HA       ASN  50  -8.850   0.112   6.046
  394    HB2  ASN  50           1HB      ASN  50  -9.126   0.647   8.638
  395    HB3  ASN  50           2HB      ASN  50  -7.850  -0.559   8.774
  396   HD21  ASN  50          2HD2      ASN  50  -6.180  -0.154   6.821
  397   HD22  ASN  50          1HD2      ASN  50  -5.551   1.455   6.809
  398    H    ALA  51           H        ALA  51  -9.189  -2.255   5.032
  399    HA   ALA  51           HA       ALA  51  -7.192  -4.133   5.996
  400    HB1  ALA  51           1HB      ALA  51  -9.282  -4.233   3.850
  401    HB2  ALA  51           2HB      ALA  51  -8.015  -5.456   3.955
  402    HB3  ALA  51           3HB      ALA  51  -9.132  -5.223   5.301
  403    H    VAL  52           H        VAL  52  -5.140  -3.684   5.504
  404    HA   VAL  52           HA       VAL  52  -4.519  -2.536   2.874
  405    HB   VAL  52           HB       VAL  52  -2.665  -2.813   5.241
  406   HG11  VAL  52          1HG1      VAL  52  -2.367  -0.827   3.034
  407   HG12  VAL  52          2HG1      VAL  52  -1.137  -1.548   4.073
  408   HG13  VAL  52          3HG1      VAL  52  -1.861  -2.495   2.772
  409   HG21  VAL  52          3HG2      VAL  52  -4.162  -1.325   6.121
  410   HG22  VAL  52          1HG2      VAL  52  -3.128  -0.212   5.225
  411   HG23  VAL  52          2HG2      VAL  52  -4.669  -0.729   4.540
  412    H    ASP  53           H        ASP  53  -4.026  -3.973   1.359
  413    HA   ASP  53           HA       ASP  53  -2.638  -6.446   2.139
  414    HB2  ASP  53           1HB      ASP  53  -4.299  -5.791  -0.301
  415    HB3  ASP  53           2HB      ASP  53  -3.402  -7.293  -0.097
  416    H    CYS  54           H        CYS  54  -1.322  -7.314   0.112
  417    HA   CYS  54           HA       CYS  54   0.195  -5.146  -1.130
  418    HB2  CYS  54           1HB      CYS  54   1.146  -6.401   1.140
  419    HB3  CYS  54           2HB      CYS  54   1.934  -7.288  -0.159
  420    HG   CYS  54           HG       CYS  54   3.883  -5.587   0.048
  421    H    ASP  55           H        ASP  55   1.979  -6.240  -2.593
  422    HA   ASP  55           HA       ASP  55   0.557  -7.802  -4.505
  423    HB2  ASP  55           1HB      ASP  55   2.315  -6.126  -5.085
  424    HB3  ASP  55           2HB      ASP  55   3.522  -7.216  -4.409
  Start of MODEL   13
    1    H1   ALA   1           H        ALA   1 -14.471   0.920   2.012
    2    HA   ALA   1           HA       ALA   1 -14.939   0.443  -0.855
    3    HB1  ALA   1           1HB      ALA   1 -15.525   2.682   0.389
    4    HB2  ALA   1           2HB      ALA   1 -13.808   3.008   0.149
    5    HB3  ALA   1           3HB      ALA   1 -14.850   2.700  -1.241
    6    H    LYS   2           H        LYS   2 -13.307  -0.246  -2.066
    7    HA   LYS   2           HA       LYS   2 -10.681  -0.559  -0.923
    8    HB2  LYS   2           1HB      LYS   2 -11.846  -1.256  -3.619
    9    HB3  LYS   2           2HB      LYS   2 -10.164  -1.554  -3.197
   10    HG2  LYS   2           1HG      LYS   2 -10.665  -3.366  -1.994
   11    HG3  LYS   2           2HG      LYS   2 -12.063  -2.594  -1.239
   12    HD2  LYS   2           1HD      LYS   2 -13.061  -4.267  -2.479
   13    HD3  LYS   2           2HD      LYS   2 -13.152  -2.896  -3.588
   14    HE2  LYS   2           1HE      LYS   2 -10.808  -4.756  -3.660
   15    HE3  LYS   2           2HE      LYS   2 -12.316  -5.195  -4.459
   16    HZ1  LYS   2           3HZ      LYS   2 -11.842  -2.628  -5.261
   17    HZ2  LYS   2           1HZ      LYS   2 -11.567  -4.025  -6.174
   18    HZ3  LYS   2           2HZ      LYS   2 -10.307  -3.339  -5.278
   19    H    TYR   3           H        TYR   3  -8.717   0.143  -2.043
   20    HA   TYR   3           HA       TYR   3  -9.044   2.569  -3.656
   21    HB2  TYR   3           1HB      TYR   3  -7.570   2.333  -1.047
   22    HB3  TYR   3           2HB      TYR   3  -7.086   3.525  -2.249
   23    HD1  TYR   3           1HD      TYR   3  -9.780   2.487   0.037
   24    HD2  TYR   3           2HD      TYR   3  -8.406   5.486  -2.650
   25    HE1  TYR   3           1HE      TYR   3 -11.509   4.022   0.876
   26    HE2  TYR   3           2HE      TYR   3 -10.130   7.030  -1.817
   27    HH   TYR   3           HH       TYR   3 -11.812   6.563   1.001
   28    H    THR   4           H        THR   4  -7.642   2.717  -5.302
   29    HA   THR   4           HA       THR   4  -5.749   0.553  -5.684
   30    HB   THR   4           HB       THR   4  -5.363   1.975  -7.891
   31    HG1  THR   4           1HG      THR   4  -8.053   2.658  -7.380
   32   HG21  THR   4          3HG2      THR   4  -7.494   0.823  -8.804
   33   HG22  THR   4          1HG2      THR   4  -7.641   0.161  -7.177
   34   HG23  THR   4          2HG2      THR   4  -6.206  -0.182  -8.142
   35    H    GLY   5           H        GLY   5  -3.616   0.677  -5.378
   36    HA2  GLY   5           1HA      GLY   5  -2.202   3.190  -5.609
   37    HA3  GLY   5           2HA      GLY   5  -2.286   2.560  -3.969
   38    H    LYS   6           H        LYS   6   0.161   2.889  -4.918
   39    HA   LYS   6           HA       LYS   6   1.072   0.138  -5.356
   40    HB2  LYS   6           1HB      LYS   6   2.416   2.402  -6.799
   41    HB3  LYS   6           2HB      LYS   6   2.501   0.677  -7.130
   42    HG2  LYS   6           1HG      LYS   6   1.132   1.271  -8.826
   43    HG3  LYS   6           2HG      LYS   6  -0.096   1.037  -7.579
   44    HD2  LYS   6           1HD      LYS   6  -0.752   3.116  -8.099
   45    HD3  LYS   6           2HD      LYS   6   0.657   3.638  -7.172
   46    HE2  LYS   6           1HE      LYS   6   1.984   3.550  -9.282
   47    HE3  LYS   6           2HE      LYS   6   0.488   3.215 -10.153
   48    HZ1  LYS   6           3HZ      LYS   6  -0.231   5.388  -8.834
   49    HZ2  LYS   6           1HZ      LYS   6   0.504   5.449 -10.356
   50    HZ3  LYS   6           2HZ      LYS   6   1.427   5.701  -8.961
   51    H    CYS   7           H        CYS   7   3.515  -0.001  -5.020
   52    HA   CYS   7           HA       CYS   7   4.462   1.953  -3.050
   53    HB2  CYS   7           1HB      CYS   7   5.348  -0.009  -1.691
   54    HB3  CYS   7           2HB      CYS   7   3.609   0.259  -1.632
   55    HG   CYS   7           HG       CYS   7   5.141  -2.487  -2.275
   56    H    THR   8           H        THR   8   6.770   1.920  -2.721
   57    HA   THR   8           HA       THR   8   8.183   1.072  -5.142
   58    HB   THR   8           HB       THR   8   8.485   3.399  -4.648
   59    HG1  THR   8           1HG      THR   8  10.464   2.989  -5.274
   60   HG21  THR   8          3HG2      THR   8   8.613   2.448  -1.909
   61   HG22  THR   8          1HG2      THR   8   8.255   4.060  -2.525
   62   HG23  THR   8          2HG2      THR   8   9.929   3.560  -2.284
   63    H    LYS   9           H        LYS   9  10.119  -0.093  -5.069
   64    HA   LYS   9           HA       LYS   9  10.264  -2.180  -3.229
   65    HB2  LYS   9           1HB      LYS   9  12.627  -2.468  -4.150
   66    HB3  LYS   9           2HB      LYS   9  11.308  -2.524  -5.314
   67    HG2  LYS   9           1HG      LYS   9  12.172  -0.841  -6.461
   68    HG3  LYS   9           2HG      LYS   9  12.247   0.171  -5.017
   69    HD2  LYS   9           1HD      LYS   9  14.473   0.067  -5.415
   70    HD3  LYS   9           2HD      LYS   9  14.329  -1.458  -4.536
   71    HE2  LYS   9           1HE      LYS   9  13.692  -2.100  -7.165
   72    HE3  LYS   9           2HE      LYS   9  15.037  -0.969  -7.302
   73    HZ1  LYS   9           3HZ      LYS   9  16.155  -2.415  -5.560
   74    HZ2  LYS   9           1HZ      LYS   9  16.024  -3.057  -7.120
   75    HZ3  LYS   9           2HZ      LYS   9  14.967  -3.571  -5.903
   76    H    SER  10           H        SER  10  11.426   1.048  -3.020
   77    HA   SER  10           HA       SER  10  13.330   0.458  -0.909
   78    HB2  SER  10           1HB      SER  10  13.457   3.043  -0.862
   79    HB3  SER  10           2HB      SER  10  14.075   2.208  -2.287
   80    HG   SER  10           HG       SER  10  12.268   4.083  -2.239
   81    H    LYS  11           H        LYS  11  10.025   1.289  -1.229
   82    HA   LYS  11           HA       LYS  11   9.763   1.387   1.674
   83    HB2  LYS  11           1HB      LYS  11   9.797   3.743   0.284
   84    HB3  LYS  11           2HB      LYS  11   8.077   3.377   0.314
   85    HG2  LYS  11           1HG      LYS  11   8.582   4.754   2.192
   86    HG3  LYS  11           2HG      LYS  11   8.236   3.127   2.782
   87    HD2  LYS  11           1HD      LYS  11  10.130   3.648   3.985
   88    HD3  LYS  11           2HD      LYS  11  10.828   2.824   2.588
   89    HE2  LYS  11           1HE      LYS  11  11.508   4.844   1.604
   90    HE3  LYS  11           2HE      LYS  11  10.460   5.804   2.647
   91    HZ1  LYS  11           3HZ      LYS  11  11.860   5.222   4.528
   92    HZ2  LYS  11           1HZ      LYS  11  12.771   5.975   3.319
   93    HZ3  LYS  11           2HZ      LYS  11  12.865   4.299   3.528
   94    H    ASN  12           H        ASN  12   8.400  -0.219   2.089
   95    HA   ASN  12           HA       ASN  12   6.431  -1.067   0.158
   96    HB2  ASN  12           1HB      ASN  12   7.679  -2.705   1.526
   97    HB3  ASN  12           2HB      ASN  12   6.929  -2.049   2.978
   98   HD21  ASN  12          2HD2      ASN  12   5.707  -3.694   3.649
   99   HD22  ASN  12          1HD2      ASN  12   4.464  -4.449   2.715
  100    H    GLU  13           H        GLU  13   5.665   1.380   0.554
  101    HA   GLU  13           HA       GLU  13   3.452   1.241   2.496
  102    HB2  GLU  13           1HB      GLU  13   3.581   3.624   2.776
  103    HB3  GLU  13           2HB      GLU  13   5.184   2.950   3.034
  104    HG2  GLU  13           1HG      GLU  13   5.367   3.504   0.426
  105    HG3  GLU  13           2HG      GLU  13   4.197   4.734   0.904
  106    H    CYS  14           H        CYS  14   1.419   1.806   1.827
  107    HA   CYS  14           HA       CYS  14   0.983   1.802  -1.034
  108    HB2  CYS  14           1HB      CYS  14  -0.408   0.450   0.554
  109    HB3  CYS  14           2HB      CYS  14  -1.066   1.955   1.184
  110    HG   CYS  14           HG       CYS  14  -2.754   0.452  -0.701
  111    H    LYS  15           H        LYS  15   1.042   3.627  -2.151
  112    HA   LYS  15           HA       LYS  15   0.379   6.153  -0.829
  113    HB2  LYS  15           1HB      LYS  15   1.351   7.171  -2.913
  114    HB3  LYS  15           2HB      LYS  15   2.479   6.218  -1.958
  115    HG2  LYS  15           1HG      LYS  15   2.909   4.897  -3.681
  116    HG3  LYS  15           2HG      LYS  15   1.193   4.559  -3.915
  117    HD2  LYS  15           1HD      LYS  15   1.533   5.602  -5.889
  118    HD3  LYS  15           2HD      LYS  15   1.329   7.060  -4.916
  119    HE2  LYS  15           1HE      LYS  15   3.642   7.432  -4.795
  120    HE3  LYS  15           2HE      LYS  15   4.021   5.788  -5.302
  121    HZ1  LYS  15           3HZ      LYS  15   2.690   6.628  -7.426
  122    HZ2  LYS  15           1HZ      LYS  15   4.362   6.825  -7.259
  123    HZ3  LYS  15           2HZ      LYS  15   3.320   8.111  -6.909
  124    H    TYR  16           H        TYR  16  -1.923   5.558  -0.840
  125    HA   TYR  16           HA       TYR  16  -3.187   5.827  -3.478
  126    HB2  TYR  16           1HB      TYR  16  -5.159   4.840  -2.512
  127    HB3  TYR  16           2HB      TYR  16  -3.777   3.839  -2.083
  128    HD1  TYR  16           1HD      TYR  16  -2.954   3.770   0.221
  129    HD2  TYR  16           2HD      TYR  16  -6.378   6.068  -0.828
  130    HE1  TYR  16           1HE      TYR  16  -3.559   3.945   2.598
  131    HE2  TYR  16           2HE      TYR  16  -6.991   6.251   1.547
  132    HH   TYR  16           HH       TYR  16  -5.521   4.359   3.974
  133    H    LYS  17           H        LYS  17  -5.452   6.926  -3.266
  134    HA   LYS  17           HA       LYS  17  -5.003   9.507  -1.935
  135    HB2  LYS  17           1HB      LYS  17  -5.266   9.791  -4.287
  136    HB3  LYS  17           2HB      LYS  17  -6.667   8.727  -4.326
  137    HG2  LYS  17           1HG      LYS  17  -6.952  11.064  -2.577
  138    HG3  LYS  17           2HG      LYS  17  -6.781  11.433  -4.294
  139    HD2  LYS  17           1HD      LYS  17  -8.641   9.243  -3.616
  140    HD3  LYS  17           2HD      LYS  17  -9.134  10.863  -3.116
  141    HE2  LYS  17           1HE      LYS  17 -10.020  10.792  -5.228
  142    HE3  LYS  17           2HE      LYS  17  -8.432  11.479  -5.572
  143    HZ1  LYS  17           3HZ      LYS  17  -9.034   8.580  -5.750
  144    HZ2  LYS  17           1HZ      LYS  17  -7.640   9.376  -6.289
  145    HZ3  LYS  17           2HZ      LYS  17  -9.118   9.634  -7.071
  146    H    ASN  18           H        ASN  18  -6.394  10.277  -0.441
  147    HA   ASN  18           HA       ASN  18  -8.914   8.834  -0.004
  148    HB2  ASN  18           1HB      ASN  18  -8.521   8.431   2.233
  149    HB3  ASN  18           2HB      ASN  18  -6.892   8.246   1.587
  150   HD21  ASN  18          2HD2      ASN  18  -5.854  10.605   1.346
  151   HD22  ASN  18          1HD2      ASN  18  -5.873  11.501   2.823
  152    H    ASP  19           H        ASP  19 -10.411  10.057   1.447
  153    HA   ASP  19           HA       ASP  19 -11.543  11.940   2.058
  154    HB2  ASP  19           1HB      ASP  19  -9.181  12.616   2.868
  155    HB3  ASP  19           2HB      ASP  19  -9.126  13.614   1.417
  156    H    ALA  20           H        ALA  20  -9.331  13.238  -0.415
  157    HA   ALA  20           HA       ALA  20 -11.080  13.120  -2.581
  158    HB1  ALA  20           1HB      ALA  20 -11.352  15.582  -0.896
  159    HB2  ALA  20           2HB      ALA  20 -11.655  15.628  -2.633
  160    HB3  ALA  20           3HB      ALA  20 -12.613  14.569  -1.600
  161    H    GLY  21           H        GLY  21  -8.327  12.807  -2.108
  162    HA2  GLY  21           1HA      GLY  21  -6.864  13.411  -4.081
  163    HA3  GLY  21           2HA      GLY  21  -7.175  15.075  -3.610
  164    H    LYS  22           H        LYS  22  -7.044  13.422  -0.798
  165    HA   LYS  22           HA       LYS  22  -4.404  14.403  -0.199
  166    HB2  LYS  22           1HB      LYS  22  -6.578  13.073   1.385
  167    HB3  LYS  22           2HB      LYS  22  -4.963  13.235   2.062
  168    HG2  LYS  22           1HG      LYS  22  -5.736  15.752   0.998
  169    HG3  LYS  22           2HG      LYS  22  -7.050  15.141   2.004
  170    HD2  LYS  22           1HD      LYS  22  -5.127  14.599   3.685
  171    HD3  LYS  22           2HD      LYS  22  -4.231  15.799   2.751
  172    HE2  LYS  22           1HE      LYS  22  -5.205  17.031   4.481
  173    HE3  LYS  22           2HE      LYS  22  -6.267  17.313   3.102
  174    HZ1  LYS  22           3HZ      LYS  22  -6.810  15.974   5.597
  175    HZ2  LYS  22           1HZ      LYS  22  -7.363  15.133   4.237
  176    HZ3  LYS  22           2HZ      LYS  22  -7.875  16.720   4.515
  177    H    ASP  23           H        ASP  23  -2.590  13.304  -0.487
  178    HA   ASP  23           HA       ASP  23  -2.613  10.532  -1.214
  179    HB2  ASP  23           1HB      ASP  23  -0.205  12.236  -0.559
  180    HB3  ASP  23           2HB      ASP  23  -0.243  10.765  -1.527
  181    H    THR  24           H        THR  24  -2.656   8.886   0.149
  182    HA   THR  24           HA       THR  24  -1.733   9.304   2.910
  183    HB   THR  24           HB       THR  24  -3.464   7.044   1.897
  184    HG1  THR  24           1HG      THR  24  -4.281   9.385   1.836
  185   HG21  THR  24          3HG2      THR  24  -2.132   6.863   4.088
  186   HG22  THR  24          1HG2      THR  24  -3.861   6.520   4.147
  187   HG23  THR  24          2HG2      THR  24  -3.251   8.075   4.711
  188    H    PHE  25           H        PHE  25  -0.072   8.167   3.726
  189    HA   PHE  25           HA       PHE  25   0.986   5.920   2.148
  190    HB2  PHE  25           1HB      PHE  25   2.666   8.033   3.514
  191    HB3  PHE  25           2HB      PHE  25   3.260   6.674   2.566
  192    HD1  PHE  25           2HD      PHE  25   1.409   9.861   2.386
  193    HD2  PHE  25           1HD      PHE  25   3.403   6.790   0.215
  194    HE1  PHE  25           2HE      PHE  25   1.335  11.251   0.359
  195    HE2  PHE  25           1HE      PHE  25   3.332   8.176  -1.816
  196    HZ   PHE  25           HZ       PHE  25   2.296  10.409  -1.747
  197    H    ILE  26           H        ILE  26   1.115   4.119   3.298
  198    HA   ILE  26           HA       ILE  26   1.956   4.183   6.072
  199    HB   ILE  26           HB       ILE  26  -0.415   4.461   6.381
  200   HG12  ILE  26          1HG1      ILE  26  -0.934   2.438   7.671
  201   HG13  ILE  26          2HG1      ILE  26   0.355   1.571   6.846
  202   HG21  ILE  26          1HG2      ILE  26  -1.909   3.683   4.938
  203   HG22  ILE  26          2HG2      ILE  26  -0.607   2.901   4.042
  204   HG23  ILE  26          3HG2      ILE  26  -1.450   2.022   5.317
  205   HD11  ILE  26          3HD1      ILE  26   1.255   4.030   8.113
  206   HD12  ILE  26          1HD1      ILE  26   0.571   2.864   9.244
  207   HD13  ILE  26          2HD1      ILE  26   1.915   2.397   8.200
  208    H    LYS  27           H        LYS  27   3.450   2.660   6.218
  209    HA   LYS  27           HA       LYS  27   4.015   0.718   4.336
  210    HB2  LYS  27           1HB      LYS  27   5.198   1.576   6.640
  211    HB3  LYS  27           2HB      LYS  27   4.670  -0.035   7.108
  212    HG2  LYS  27           1HG      LYS  27   6.178  -1.056   5.794
  213    HG3  LYS  27           2HG      LYS  27   6.020   0.136   4.502
  214    HD2  LYS  27           1HD      LYS  27   7.332   1.727   5.904
  215    HD3  LYS  27           2HD      LYS  27   7.593   0.420   7.062
  216    HE2  LYS  27           1HE      LYS  27   8.314  -0.703   4.645
  217    HE3  LYS  27           2HE      LYS  27   8.901   0.956   4.517
  218    HZ1  LYS  27           3HZ      LYS  27   9.445  -0.491   6.999
  219    HZ2  LYS  27           1HZ      LYS  27  10.386   0.659   6.189
  220    HZ3  LYS  27           2HZ      LYS  27  10.330  -0.935   5.628
  221    H    CYS  28           H        CYS  28   3.200  -1.215   3.832
  222    HA   CYS  28           HA       CYS  28   0.859  -2.164   5.211
  223    HB2  CYS  28           1HB      CYS  28   2.322  -3.616   3.012
  224    HB3  CYS  28           2HB      CYS  28   0.616  -3.709   3.430
  225    HG   CYS  28           HG       CYS  28   2.224  -1.499   1.487
  226    HA   PRO  29           HA       PRO  29   2.674  -5.135   7.881
  227    HB2  PRO  29           1HB      PRO  29   0.778  -7.077   7.875
  228    HB3  PRO  29           2HB      PRO  29   0.559  -5.524   8.689
  229    HG2  PRO  29           1HG      PRO  29  -0.441  -6.418   6.013
  230    HG3  PRO  29           2HG      PRO  29  -1.287  -5.505   7.274
  231    HD2  PRO  29           1HD      PRO  29  -0.214  -4.318   5.090
  232    HD3  PRO  29           2HD      PRO  29  -0.304  -3.511   6.669
  233    H    LYS  30           H        LYS  30   4.444  -5.627   6.407
  234    HA   LYS  30           HA       LYS  30   4.335  -8.400   5.534
  235    HB2  LYS  30           1HB      LYS  30   5.002  -6.101   3.695
  236    HB3  LYS  30           2HB      LYS  30   5.464  -7.764   3.356
  237    HG2  LYS  30           1HG      LYS  30   2.618  -6.929   3.835
  238    HG3  LYS  30           2HG      LYS  30   3.366  -6.940   2.235
  239    HD2  LYS  30           1HD      LYS  30   3.299  -9.188   2.086
  240    HD3  LYS  30           2HD      LYS  30   3.718  -9.413   3.786
  241    HE2  LYS  30           1HE      LYS  30   1.213  -8.354   3.968
  242    HE3  LYS  30           2HE      LYS  30   1.092  -9.296   2.482
  243    HZ1  LYS  30           3HZ      LYS  30   1.828 -10.267   5.184
  244    HZ2  LYS  30           1HZ      LYS  30   2.044 -11.193   3.784
  245    HZ3  LYS  30           2HZ      LYS  30   0.490 -10.715   4.250
  246    H    PHE  31           H        PHE  31   5.669  -8.341   7.545
  247    HA   PHE  31           HA       PHE  31   8.249  -7.120   7.479
  248    HB2  PHE  31           1HB      PHE  31   7.327  -9.390   9.248
  249    HB3  PHE  31           2HB      PHE  31   8.664  -8.287   9.550
  250    HD1  PHE  31           1HD      PHE  31   5.036  -8.696   9.570
  251    HD2  PHE  31           2HD      PHE  31   8.267  -6.027  10.309
  252    HE1  PHE  31           1HE      PHE  31   3.513  -7.195  10.789
  253    HE2  PHE  31           2HE      PHE  31   6.752  -4.522  11.529
  254    HZ   PHE  31           HZ       PHE  31   4.371  -5.105  11.771
  255    H    ASP  32           H        ASP  32   9.929  -9.134   8.408
  256    HA   ASP  32           HA       ASP  32  11.071 -10.132   6.120
  257    HB2  ASP  32           1HB      ASP  32  12.097 -10.073   8.419
  258    HB3  ASP  32           2HB      ASP  32  11.173 -11.524   8.801
  259    H    ASN  33           H        ASN  33   9.566 -11.018   4.708
  260    HA   ASN  33           HA       ASN  33   9.210 -13.773   4.761
  261    HB2  ASN  33           1HB      ASN  33   7.434 -12.593   6.523
  262    HB3  ASN  33           2HB      ASN  33   6.469 -12.803   5.065
  263   HD21  ASN  33          2HD2      ASN  33   8.810 -14.592   7.042
  264   HD22  ASN  33          1HD2      ASN  33   7.982 -16.106   6.955
  265    H    LYS  34           H        LYS  34   7.419 -10.838   3.827
  266    HA   LYS  34           HA       LYS  34   7.836 -11.454   1.030
  267    HB2  LYS  34           1HB      LYS  34   5.088 -11.420   2.273
  268    HB3  LYS  34           2HB      LYS  34   5.357 -11.191   0.550
  269    HG2  LYS  34           1HG      LYS  34   6.124 -13.625   2.149
  270    HG3  LYS  34           2HG      LYS  34   4.746 -13.489   1.054
  271    HD2  LYS  34           1HD      LYS  34   7.065 -12.668  -0.360
  272    HD3  LYS  34           2HD      LYS  34   7.438 -14.191   0.452
  273    HE2  LYS  34           1HE      LYS  34   4.908 -13.825  -1.120
  274    HE3  LYS  34           2HE      LYS  34   6.419 -14.291  -1.902
  275    HZ1  LYS  34           3HZ      LYS  34   5.205 -16.255  -1.383
  276    HZ2  LYS  34           1HZ      LYS  34   4.974 -15.775   0.223
  277    HZ3  LYS  34           2HZ      LYS  34   6.521 -16.184  -0.323
  278    H    LYS  35           H        LYS  35   9.044  -9.423   1.989
  279    HA   LYS  35           HA       LYS  35   7.460  -7.028   2.149
  280    HB2  LYS  35           1HB      LYS  35  10.112  -7.797   2.812
  281    HB3  LYS  35           2HB      LYS  35  10.225  -6.456   1.680
  282    HG2  LYS  35           1HG      LYS  35   8.328  -5.514   3.345
  283    HG3  LYS  35           2HG      LYS  35   9.263  -6.515   4.458
  284    HD2  LYS  35           1HD      LYS  35  10.500  -4.464   2.629
  285    HD3  LYS  35           2HD      LYS  35  10.002  -4.116   4.287
  286    HE2  LYS  35           1HE      LYS  35  12.149  -4.681   4.725
  287    HE3  LYS  35           2HE      LYS  35  11.473  -6.310   4.725
  288    HZ1  LYS  35           3HZ      LYS  35  13.467  -6.203   3.383
  289    HZ2  LYS  35           1HZ      LYS  35  12.800  -4.977   2.426
  290    HZ3  LYS  35           2HZ      LYS  35  12.129  -6.530   2.402
  291    H    CYS  36           H        CYS  36   7.952  -5.130   0.739
  292    HA   CYS  36           HA       CYS  36   7.284  -5.596  -1.893
  293    HB2  CYS  36           1HB      CYS  36   7.854  -3.291  -2.333
  294    HB3  CYS  36           2HB      CYS  36   7.141  -3.397  -0.727
  295    HG   CYS  36           HG       CYS  36   9.301  -1.516  -0.870
  296    H    THR  37           H        THR  37   8.372  -5.857  -3.798
  297    HA   THR  37           HA       THR  37  11.273  -5.758  -3.852
  298    HB   THR  37           HB       THR  37  11.350  -8.081  -4.905
  299    HG1  THR  37           1HG      THR  37   9.623  -9.357  -4.706
  300   HG21  THR  37          3HG2      THR  37  11.629  -9.174  -2.786
  301   HG22  THR  37          1HG2      THR  37  10.597  -7.991  -1.984
  302   HG23  THR  37          2HG2      THR  37  12.170  -7.505  -2.614
  303    H    LYS  38           H        LYS  38   9.576  -4.083  -5.159
  304    HA   LYS  38           HA       LYS  38  10.395  -4.320  -7.836
  305    HB2  LYS  38           1HB      LYS  38   8.122  -5.861  -7.269
  306    HB3  LYS  38           2HB      LYS  38   7.515  -4.424  -8.080
  307    HG2  LYS  38           1HG      LYS  38   8.287  -5.090 -10.057
  308    HG3  LYS  38           2HG      LYS  38   9.858  -5.535  -9.389
  309    HD2  LYS  38           1HD      LYS  38   9.131  -7.604 -10.006
  310    HD3  LYS  38           2HD      LYS  38   8.435  -7.540  -8.386
  311    HE2  LYS  38           1HE      LYS  38   6.301  -7.268  -9.166
  312    HE3  LYS  38           2HE      LYS  38   6.827  -6.467 -10.644
  313    HZ1  LYS  38           3HZ      LYS  38   7.797  -9.095 -10.663
  314    HZ2  LYS  38           1HZ      LYS  38   6.667  -8.386 -11.704
  315    HZ3  LYS  38           2HZ      LYS  38   6.148  -9.152 -10.288
  316    H    ASP  39           H        ASP  39   9.986  -2.454  -9.022
  317    HA   ASP  39           HA       ASP  39   9.389  -0.130  -7.486
  318    HB2  ASP  39           1HB      ASP  39   9.483  -0.102 -10.482
  319    HB3  ASP  39           2HB      ASP  39  10.073   1.100  -9.338
  320    H    ASN  40           H        ASN  40   7.452   0.651  -7.023
  321    HA   ASN  40           HA       ASN  40   5.232   1.135  -7.106
  322    HB2  ASN  40           1HB      ASN  40   5.997   1.059  -9.996
  323    HB3  ASN  40           2HB      ASN  40   4.290   1.174  -9.576
  324   HD21  ASN  40          2HD2      ASN  40   7.148   2.559  -8.019
  325   HD22  ASN  40          1HD2      ASN  40   6.651   4.206  -8.179
  326    H    ASN  41           H        ASN  41   5.495  -1.278  -6.216
  327    HA   ASN  41           HA       ASN  41   4.492  -3.417  -7.726
  328    HB2  ASN  41           1HB      ASN  41   5.363  -2.996  -5.072
  329    HB3  ASN  41           2HB      ASN  41   3.745  -3.685  -4.961
  330   HD21  ASN  41          2HD2      ASN  41   6.461  -4.763  -4.376
  331   HD22  ASN  41          1HD2      ASN  41   6.548  -6.246  -5.258
  332    H    LYS  42           H        LYS  42   2.401  -4.510  -6.307
  333    HA   LYS  42           HA       LYS  42   0.202  -2.665  -6.966
  334    HB2  LYS  42           1HB      LYS  42   0.666  -5.117  -8.038
  335    HB3  LYS  42           2HB      LYS  42  -0.393  -5.544  -6.700
  336    HG2  LYS  42           1HG      LYS  42  -2.180  -4.369  -7.562
  337    HG3  LYS  42           2HG      LYS  42  -1.152  -3.326  -8.548
  338    HD2  LYS  42           1HD      LYS  42  -1.036  -4.822 -10.246
  339    HD3  LYS  42           2HD      LYS  42  -1.054  -6.215  -9.162
  340    HE2  LYS  42           1HE      LYS  42  -3.521  -4.566  -9.407
  341    HE3  LYS  42           2HE      LYS  42  -3.104  -5.656 -10.729
  342    HZ1  LYS  42           3HZ      LYS  42  -4.465  -6.347  -8.491
  343    HZ2  LYS  42           1HZ      LYS  42  -2.898  -6.881  -8.141
  344    HZ3  LYS  42           2HZ      LYS  42  -3.685  -7.428  -9.534
  345    H    CYS  43           H        CYS  43  -0.694  -1.798  -5.220
  346    HA   CYS  43           HA       CYS  43  -1.148  -3.523  -2.879
  347    HB2  CYS  43           1HB      CYS  43   0.207  -0.905  -3.044
  348    HB3  CYS  43           2HB      CYS  43  -0.969  -1.059  -1.743
  349    HG   CYS  43           HG       CYS  43   1.408  -3.458  -2.135
  350    H    THR  44           H        THR  44  -2.802  -2.411  -1.357
  351    HA   THR  44           HA       THR  44  -4.751  -0.704  -2.564
  352    HB   THR  44           HB       THR  44  -6.480  -2.766  -2.037
  353    HG1  THR  44           1HG      THR  44  -5.456  -4.475  -3.431
  354   HG21  THR  44          3HG2      THR  44  -5.964  -2.978  -4.763
  355   HG22  THR  44          1HG2      THR  44  -5.485  -1.332  -4.350
  356   HG23  THR  44          2HG2      THR  44  -7.119  -1.890  -3.991
  357    H    VAL  45           H        VAL  45  -6.684  -0.431  -1.131
  358    HA   VAL  45           HA       VAL  45  -6.337  -1.308   1.619
  359    HB   VAL  45           HB       VAL  45  -6.261   1.606   0.835
  360   HG11  VAL  45          1HG1      VAL  45  -7.306   0.335   3.222
  361   HG12  VAL  45          2HG1      VAL  45  -5.993   1.457   3.585
  362   HG13  VAL  45          3HG1      VAL  45  -7.412   2.015   2.699
  363   HG21  VAL  45          3HG2      VAL  45  -4.164   1.627   2.081
  364   HG22  VAL  45          1HG2      VAL  45  -4.353  -0.088   2.445
  365   HG23  VAL  45          2HG2      VAL  45  -4.107   0.439   0.780
  366    H    ASP  46           H        ASP  46  -8.251  -1.726   2.515
  367    HA   ASP  46           HA       ASP  46 -10.657  -0.679   1.185
  368    HB2  ASP  46           1HB      ASP  46 -10.190  -3.169   2.828
  369    HB3  ASP  46           2HB      ASP  46 -11.800  -2.602   2.394
  370    H    THR  47           H        THR  47 -11.858   0.769   2.212
  371    HA   THR  47           HA       THR  47 -11.195   1.649   4.845
  372    HB   THR  47           HB       THR  47 -13.487   2.941   4.451
  373    HG1  THR  47           1HG      THR  47 -12.673   2.503   1.773
  374   HG21  THR  47          3HG2      THR  47 -10.869   3.471   3.050
  375   HG22  THR  47          1HG2      THR  47 -11.395   4.087   4.616
  376   HG23  THR  47          2HG2      THR  47 -12.185   4.641   3.140
  377    H    TYR  48           H        TYR  48 -13.179  -0.817   3.661
  378    HA   TYR  48           HA       TYR  48 -15.369  -0.858   5.337
  379    HB2  TYR  48           1HB      TYR  48 -15.000  -2.454   3.487
  380    HB3  TYR  48           2HB      TYR  48 -13.746  -3.247   4.433
  381    HD1  TYR  48           1HD      TYR  48 -17.357  -2.692   4.091
  382    HD2  TYR  48           2HD      TYR  48 -14.310  -4.699   6.280
  383    HE1  TYR  48           1HE      TYR  48 -19.057  -4.151   5.108
  384    HE2  TYR  48           2HE      TYR  48 -16.001  -6.164   7.302
  385    HH   TYR  48           HH       TYR  48 -18.236  -6.959   6.897
  386    H    ASN  49           H        ASN  49 -12.113  -2.130   5.958
  387    HA   ASN  49           HA       ASN  49 -12.594  -1.869   8.820
  388    HB2  ASN  49           1HB      ASN  49 -11.986  -4.458   7.421
  389    HB3  ASN  49           2HB      ASN  49 -11.473  -4.197   9.085
  390   HD21  ASN  49          2HD2      ASN  49 -13.356  -6.127   8.078
  391   HD22  ASN  49          1HD2      ASN  49 -14.863  -5.809   8.861
  392    H    ASN  50           H        ASN  50 -11.000  -0.341   7.055
  393    HA   ASN  50           HA       ASN  50  -8.881   0.442   6.721
  394    HB2  ASN  50           1HB      ASN  50  -9.417   0.443   9.376
  395    HB3  ASN  50           2HB      ASN  50  -7.958  -0.543   9.354
  396   HD21  ASN  50          2HD2      ASN  50  -6.571   0.618   7.286
  397   HD22  ASN  50          1HD2      ASN  50  -6.134   2.231   7.725
  398    H    ALA  51           H        ALA  51  -9.178  -2.027   5.566
  399    HA   ALA  51           HA       ALA  51  -6.983  -3.741   6.349
  400    HB1  ALA  51           1HB      ALA  51  -9.176  -4.582   5.451
  401    HB2  ALA  51           2HB      ALA  51  -8.678  -3.974   3.872
  402    HB3  ALA  51           3HB      ALA  51  -7.739  -5.237   4.668
  403    H    VAL  52           H        VAL  52  -5.158  -4.212   5.079
  404    HA   VAL  52           HA       VAL  52  -4.570  -2.316   2.909
  405    HB   VAL  52           HB       VAL  52  -2.554  -3.096   5.015
  406   HG11  VAL  52          1HG1      VAL  52  -1.072  -1.648   3.974
  407   HG12  VAL  52          2HG1      VAL  52  -1.898  -2.397   2.607
  408   HG13  VAL  52          3HG1      VAL  52  -2.354  -0.777   3.134
  409   HG21  VAL  52          3HG2      VAL  52  -3.889  -1.734   6.280
  410   HG22  VAL  52          1HG2      VAL  52  -2.857  -0.525   5.517
  411   HG23  VAL  52          2HG2      VAL  52  -4.476  -0.827   4.886
  412    H    ASP  53           H        ASP  53  -4.451  -3.587   1.170
  413    HA   ASP  53           HA       ASP  53  -3.460  -6.291   1.323
  414    HB2  ASP  53           1HB      ASP  53  -4.976  -4.696  -0.562
  415    HB3  ASP  53           2HB      ASP  53  -3.692  -5.586  -1.376
  416    H    CYS  54           H        CYS  54  -1.675  -7.110   0.108
  417    HA   CYS  54           HA       CYS  54   0.316  -5.116  -0.712
  418    HB2  CYS  54           1HB      CYS  54   1.364  -7.497   0.706
  419    HB3  CYS  54           2HB      CYS  54   1.944  -5.837   0.712
  420    HG   CYS  54           HG       CYS  54  -0.425  -5.119   2.348
  421    H    ASP  55           H        ASP  55   1.499  -5.662  -2.473
  422    HA   ASP  55           HA       ASP  55   0.596  -7.549  -4.274
  423    HB2  ASP  55           1HB      ASP  55   2.205  -5.578  -4.647
  424    HB3  ASP  55           2HB      ASP  55   3.482  -6.697  -4.176
  Start of MODEL   14
    1    H1   ALA   1           H        ALA   1 -16.649   0.343   1.388
    2    HA   ALA   1           HA       ALA   1 -15.864   0.334  -1.423
    3    HB1  ALA   1           1HB      ALA   1 -16.551   2.352   0.394
    4    HB2  ALA   1           2HB      ALA   1 -14.834   2.571   0.053
    5    HB3  ALA   1           3HB      ALA   1 -16.000   2.544  -1.270
    6    H    LYS   2           H        LYS   2 -13.602   0.981  -1.952
    7    HA   LYS   2           HA       LYS   2 -11.546   0.412  -0.020
    8    HB2  LYS   2           1HB      LYS   2 -10.580  -1.500  -1.171
    9    HB3  LYS   2           2HB      LYS   2 -12.228  -1.864  -0.676
   10    HG2  LYS   2           1HG      LYS   2 -11.669  -0.853  -3.432
   11    HG3  LYS   2           2HG      LYS   2 -11.427  -2.555  -3.031
   12    HD2  LYS   2           1HD      LYS   2 -13.890  -2.094  -1.968
   13    HD3  LYS   2           2HD      LYS   2 -13.911  -1.027  -3.375
   14    HE2  LYS   2           1HE      LYS   2 -13.233  -2.938  -4.787
   15    HE3  LYS   2           2HE      LYS   2 -13.313  -3.985  -3.370
   16    HZ1  LYS   2           3HZ      LYS   2 -15.710  -3.116  -3.199
   17    HZ2  LYS   2           1HZ      LYS   2 -15.357  -4.286  -4.371
   18    HZ3  LYS   2           2HZ      LYS   2 -15.514  -2.661  -4.817
   19    H    TYR   3           H        TYR   3  -9.332   0.360  -1.201
   20    HA   TYR   3           HA       TYR   3  -9.395   2.204  -3.494
   21    HB2  TYR   3           1HB      TYR   3  -7.511   2.384  -1.134
   22    HB3  TYR   3           2HB      TYR   3  -7.494   3.429  -2.549
   23    HD1  TYR   3           2HD      TYR   3  -9.568   2.422   0.362
   24    HD2  TYR   3           1HD      TYR   3  -8.835   5.355  -2.631
   25    HE1  TYR   3           2HE      TYR   3 -11.146   3.945   1.477
   26    HE2  TYR   3           1HE      TYR   3 -10.410   6.886  -1.524
   27    HH   TYR   3           HH       TYR   3 -11.821   6.131   1.594
   28    H    THR   4           H        THR   4  -7.265   2.290  -4.646
   29    HA   THR   4           HA       THR   4  -5.645  -0.123  -4.384
   30    HB   THR   4           HB       THR   4  -7.458  -0.708  -5.977
   31    HG1  THR   4           1HG      THR   4  -5.064  -0.479  -7.459
   32   HG21  THR   4          3HG2      THR   4  -7.556   0.347  -8.157
   33   HG22  THR   4          1HG2      THR   4  -6.235   1.431  -7.722
   34   HG23  THR   4          2HG2      THR   4  -7.790   1.564  -6.901
   35    H    GLY   5           H        GLY   5  -3.542   0.229  -4.827
   36    HA2  GLY   5           1HA      GLY   5  -2.764   2.457  -6.540
   37    HA3  GLY   5           2HA      GLY   5  -2.268   2.558  -4.857
   38    H    LYS   6           H        LYS   6  -0.106   2.313  -5.016
   39    HA   LYS   6           HA       LYS   6   0.854  -0.304  -5.881
   40    HB2  LYS   6           1HB      LYS   6   2.445   2.078  -6.733
   41    HB3  LYS   6           2HB      LYS   6   2.408   0.457  -7.416
   42    HG2  LYS   6           1HG      LYS   6   0.098   0.963  -8.249
   43    HG3  LYS   6           2HG      LYS   6   0.359   2.634  -7.742
   44    HD2  LYS   6           1HD      LYS   6   2.397   1.331  -9.481
   45    HD3  LYS   6           2HD      LYS   6   0.877   1.858 -10.207
   46    HE2  LYS   6           1HE      LYS   6   2.662   3.629  -8.545
   47    HE3  LYS   6           2HE      LYS   6   2.720   3.545 -10.305
   48    HZ1  LYS   6           3HZ      LYS   6   0.083   3.993  -9.225
   49    HZ2  LYS   6           1HZ      LYS   6   0.880   4.774 -10.498
   50    HZ3  LYS   6           2HZ      LYS   6   1.178   5.241  -8.900
   51    H    CYS   7           H        CYS   7   3.242  -0.548  -5.293
   52    HA   CYS   7           HA       CYS   7   3.928   1.006  -2.901
   53    HB2  CYS   7           1HB      CYS   7   4.739  -1.240  -1.918
   54    HB3  CYS   7           2HB      CYS   7   3.015  -0.891  -1.877
   55    HG   CYS   7           HG       CYS   7   2.784  -2.387  -4.444
   56    H    THR   8           H        THR   8   6.150   1.100  -2.413
   57    HA   THR   8           HA       THR   8   7.852   0.732  -4.742
   58    HB   THR   8           HB       THR   8   9.391   1.748  -2.612
   59    HG1  THR   8           1HG      THR   8   8.120   3.369  -1.771
   60   HG21  THR   8          3HG2      THR   8   8.661   3.938  -4.093
   61   HG22  THR   8          1HG2      THR   8   8.364   2.608  -5.212
   62   HG23  THR   8          2HG2      THR   8   9.964   2.822  -4.499
   63    H    LYS   9           H        LYS   9   9.765  -0.458  -4.760
   64    HA   LYS   9           HA       LYS   9   9.755  -2.928  -3.492
   65    HB2  LYS   9           1HB      LYS   9  11.647  -1.388  -5.129
   66    HB3  LYS   9           2HB      LYS   9  12.413  -2.545  -4.048
   67    HG2  LYS   9           1HG      LYS   9  10.669  -4.208  -5.015
   68    HG3  LYS   9           2HG      LYS   9  10.545  -3.031  -6.324
   69    HD2  LYS   9           1HD      LYS   9  13.259  -3.891  -5.462
   70    HD3  LYS   9           2HD      LYS   9  12.285  -5.025  -6.401
   71    HE2  LYS   9           1HE      LYS   9  12.708  -3.914  -8.279
   72    HE3  LYS   9           2HE      LYS   9  12.146  -2.404  -7.565
   73    HZ1  LYS   9           3HZ      LYS   9  14.863  -3.449  -7.802
   74    HZ2  LYS   9           1HZ      LYS   9  14.499  -2.540  -6.423
   75    HZ3  LYS   9           2HZ      LYS   9  14.298  -1.863  -7.959
   76    H    SER  10           H        SER  10  12.333  -0.548  -2.910
   77    HA   SER  10           HA       SER  10  13.127  -1.631  -0.460
   78    HB2  SER  10           1HB      SER  10  14.504   0.295  -0.202
   79    HB3  SER  10           2HB      SER  10  14.415  -0.005  -1.938
   80    HG   SER  10           HG       SER  10  13.672   2.176  -0.564
   81    H    LYS  11           H        LYS  11  10.719   0.799  -1.235
   82    HA   LYS  11           HA       LYS  11  10.094   1.078   1.626
   83    HB2  LYS  11           1HB      LYS  11  10.137   2.943  -0.603
   84    HB3  LYS  11           2HB      LYS  11   8.591   2.965   0.235
   85    HG2  LYS  11           1HG      LYS  11   9.469   4.235   1.815
   86    HG3  LYS  11           2HG      LYS  11  10.626   2.959   2.201
   87    HD2  LYS  11           1HD      LYS  11  11.735   4.020  -0.041
   88    HD3  LYS  11           2HD      LYS  11  10.987   5.448   0.679
   89    HE2  LYS  11           1HE      LYS  11  12.122   4.448   2.867
   90    HE3  LYS  11           2HE      LYS  11  13.215   3.755   1.670
   91    HZ1  LYS  11           3HZ      LYS  11  12.578   6.594   1.423
   92    HZ2  LYS  11           1HZ      LYS  11  14.023   5.777   1.097
   93    HZ3  LYS  11           2HZ      LYS  11  13.598   6.138   2.693
   94    H    ASN  12           H        ASN  12   8.810  -0.720   1.930
   95    HA   ASN  12           HA       ASN  12   6.631  -1.325   0.150
   96    HB2  ASN  12           1HB      ASN  12   7.745  -3.155   1.277
   97    HB3  ASN  12           2HB      ASN  12   7.397  -2.448   2.852
   98   HD21  ASN  12          2HD2      ASN  12   6.173  -4.037   3.698
   99   HD22  ASN  12          1HD2      ASN  12   4.654  -4.545   3.051
  100    H    GLU  13           H        GLU  13   5.721   0.901   0.370
  101    HA   GLU  13           HA       GLU  13   3.737   0.915   2.529
  102    HB2  GLU  13           1HB      GLU  13   4.106   3.164   3.105
  103    HB3  GLU  13           2HB      GLU  13   5.715   2.463   3.006
  104    HG2  GLU  13           1HG      GLU  13   5.366   3.364   0.468
  105    HG3  GLU  13           2HG      GLU  13   4.473   4.567   1.398
  106    H    CYS  14           H        CYS  14   1.744   1.739   1.981
  107    HA   CYS  14           HA       CYS  14   1.231   1.955  -0.865
  108    HB2  CYS  14           1HB      CYS  14  -0.259   0.593   0.522
  109    HB3  CYS  14           2HB      CYS  14  -0.662   2.002   1.495
  110    HG   CYS  14           HG       CYS  14  -2.804   2.377   0.130
  111    H    LYS  15           H        LYS  15   1.325   3.835  -1.879
  112    HA   LYS  15           HA       LYS  15   0.867   6.305  -0.354
  113    HB2  LYS  15           1HB      LYS  15   2.019   7.432  -2.243
  114    HB3  LYS  15           2HB      LYS  15   3.023   6.233  -1.440
  115    HG2  LYS  15           1HG      LYS  15   1.509   5.183  -3.709
  116    HG3  LYS  15           2HG      LYS  15   2.669   6.444  -4.130
  117    HD2  LYS  15           1HD      LYS  15   4.336   5.104  -2.707
  118    HD3  LYS  15           2HD      LYS  15   3.167   3.786  -2.825
  119    HE2  LYS  15           1HE      LYS  15   4.644   3.406  -4.595
  120    HE3  LYS  15           2HE      LYS  15   3.254   4.183  -5.351
  121    HZ1  LYS  15           3HZ      LYS  15   5.107   5.261  -6.237
  122    HZ2  LYS  15           1HZ      LYS  15   5.902   5.350  -4.745
  123    HZ3  LYS  15           2HZ      LYS  15   4.553   6.326  -5.044
  124    H    TYR  16           H        TYR  16  -1.477   5.340  -0.696
  125    HA   TYR  16           HA       TYR  16  -2.600   6.110  -3.272
  126    HB2  TYR  16           1HB      TYR  16  -4.544   4.958  -2.643
  127    HB3  TYR  16           2HB      TYR  16  -3.243   3.999  -1.947
  128    HD1  TYR  16           2HD      TYR  16  -2.669   4.435   0.530
  129    HD2  TYR  16           1HD      TYR  16  -6.293   5.713  -1.298
  130    HE1  TYR  16           2HE      TYR  16  -3.716   4.616   2.748
  131    HE2  TYR  16           1HE      TYR  16  -7.350   5.900   0.916
  132    HH   TYR  16           HH       TYR  16  -6.739   4.605   3.361
  133    H    LYS  17           H        LYS  17  -5.053   7.034  -2.716
  134    HA   LYS  17           HA       LYS  17  -4.626   9.436  -1.066
  135    HB2  LYS  17           1HB      LYS  17  -6.047   9.314  -3.733
  136    HB3  LYS  17           2HB      LYS  17  -5.897  10.741  -2.715
  137    HG2  LYS  17           1HG      LYS  17  -3.492  10.737  -3.015
  138    HG3  LYS  17           2HG      LYS  17  -3.596   9.257  -3.972
  139    HD2  LYS  17           1HD      LYS  17  -5.289  10.734  -5.382
  140    HD3  LYS  17           2HD      LYS  17  -4.335  12.048  -4.687
  141    HE2  LYS  17           1HE      LYS  17  -3.022  11.688  -6.483
  142    HE3  LYS  17           2HE      LYS  17  -2.362  10.395  -5.484
  143    HZ1  LYS  17           3HZ      LYS  17  -4.387  10.165  -7.636
  144    HZ2  LYS  17           1HZ      LYS  17  -4.064   8.915  -6.542
  145    HZ3  LYS  17           2HZ      LYS  17  -2.848   9.464  -7.581
  146    H    ASN  18           H        ASN  18  -6.129   9.753   0.439
  147    HA   ASN  18           HA       ASN  18  -8.693   8.327   0.162
  148    HB2  ASN  18           1HB      ASN  18  -8.707   7.851   2.428
  149    HB3  ASN  18           2HB      ASN  18  -6.985   7.755   2.072
  150   HD21  ASN  18          2HD2      ASN  18  -5.826   9.914   2.307
  151   HD22  ASN  18          1HD2      ASN  18  -6.216  10.833   3.716
  152    H    ASP  19           H        ASP  19 -10.488   9.371   1.471
  153    HA   ASP  19           HA       ASP  19 -11.834  11.145   1.963
  154    HB2  ASP  19           1HB      ASP  19  -9.645  11.976   3.078
  155    HB3  ASP  19           2HB      ASP  19  -9.509  13.028   1.671
  156    H    ALA  20           H        ALA  20  -9.419  12.634  -0.195
  157    HA   ALA  20           HA       ALA  20 -10.917  12.463  -2.552
  158    HB1  ALA  20           1HB      ALA  20 -12.576  13.861  -1.644
  159    HB2  ALA  20           2HB      ALA  20 -11.386  14.956  -0.940
  160    HB3  ALA  20           3HB      ALA  20 -11.608  14.903  -2.689
  161    H    GLY  21           H        GLY  21  -8.221  12.221  -1.784
  162    HA2  GLY  21           1HA      GLY  21  -6.515  12.813  -3.501
  163    HA3  GLY  21           2HA      GLY  21  -7.002  14.482  -3.247
  164    H    LYS  22           H        LYS  22  -7.075  12.815  -0.349
  165    HA   LYS  22           HA       LYS  22  -4.759  14.228   0.617
  166    HB2  LYS  22           1HB      LYS  22  -7.101  13.001   1.752
  167    HB3  LYS  22           2HB      LYS  22  -5.666  12.422   2.588
  168    HG2  LYS  22           1HG      LYS  22  -5.788  15.326   2.118
  169    HG3  LYS  22           2HG      LYS  22  -6.980  14.671   3.244
  170    HD2  LYS  22           1HD      LYS  22  -4.250  13.662   3.626
  171    HD3  LYS  22           2HD      LYS  22  -4.440  15.394   3.911
  172    HE2  LYS  22           1HE      LYS  22  -6.610  14.419   5.206
  173    HE3  LYS  22           2HE      LYS  22  -5.471  13.093   5.431
  174    HZ1  LYS  22           3HZ      LYS  22  -3.955  14.506   6.511
  175    HZ2  LYS  22           1HZ      LYS  22  -5.462  14.874   7.186
  176    HZ3  LYS  22           2HZ      LYS  22  -4.775  15.907   6.036
  177    H    ASP  23           H        ASP  23  -2.808  13.445   0.136
  178    HA   ASP  23           HA       ASP  23  -2.178  10.824  -0.548
  179    HB2  ASP  23           1HB      ASP  23   0.159  11.452  -0.196
  180    HB3  ASP  23           2HB      ASP  23  -0.712  12.746  -1.015
  181    H    THR  24           H        THR  24  -1.853   9.009   0.570
  182    HA   THR  24           HA       THR  24  -1.465   9.203   3.482
  183    HB   THR  24           HB       THR  24  -3.253   7.237   2.037
  184    HG1  THR  24           1HG      THR  24  -3.923   9.152   4.035
  185   HG21  THR  24          3HG2      THR  24  -3.779   6.366   4.268
  186   HG22  THR  24          1HG2      THR  24  -2.583   7.452   4.976
  187   HG23  THR  24          2HG2      THR  24  -2.069   6.162   3.888
  188    H    PHE  25           H        PHE  25   0.169   8.030   4.275
  189    HA   PHE  25           HA       PHE  25   1.288   5.882   2.604
  190    HB2  PHE  25           1HB      PHE  25   2.880   7.913   4.184
  191    HB3  PHE  25           2HB      PHE  25   3.548   6.576   3.253
  192    HD1  PHE  25           1HD      PHE  25   1.659   9.742   2.980
  193    HD2  PHE  25           2HD      PHE  25   3.943   6.780   0.950
  194    HE1  PHE  25           1HE      PHE  25   1.750  11.183   0.987
  195    HE2  PHE  25           2HE      PHE  25   4.039   8.216  -1.045
  196    HZ   PHE  25           HZ       PHE  25   2.942  10.421  -1.029
  197    H    ILE  26           H        ILE  26   1.203   4.009   3.636
  198    HA   ILE  26           HA       ILE  26   1.907   3.875   6.460
  199    HB   ILE  26           HB       ILE  26  -0.466   4.097   6.642
  200   HG12  ILE  26          1HG1      ILE  26   0.133   1.138   6.803
  201   HG13  ILE  26          2HG1      ILE  26   0.690   2.311   7.992
  202   HG21  ILE  26          1HG2      ILE  26  -1.786   3.567   4.940
  203   HG22  ILE  26          2HG2      ILE  26  -0.469   2.701   4.151
  204   HG23  ILE  26          3HG2      ILE  26  -1.518   1.860   5.291
  205   HD11  ILE  26          3HD1      ILE  26  -1.933   2.881   7.972
  206   HD12  ILE  26          1HD1      ILE  26  -1.984   1.166   7.566
  207   HD13  ILE  26          2HD1      ILE  26  -1.192   1.700   9.050
  208    H    LYS  27           H        LYS  27   3.555   2.492   6.396
  209    HA   LYS  27           HA       LYS  27   4.130   0.612   4.464
  210    HB2  LYS  27           1HB      LYS  27   5.477  -0.526   6.318
  211    HB3  LYS  27           2HB      LYS  27   5.860   1.152   5.961
  212    HG2  LYS  27           1HG      LYS  27   3.827   0.813   8.035
  213    HG3  LYS  27           2HG      LYS  27   5.404   0.133   8.444
  214    HD2  LYS  27           1HD      LYS  27   6.394   2.165   8.555
  215    HD3  LYS  27           2HD      LYS  27   5.439   2.819   7.223
  216    HE2  LYS  27           1HE      LYS  27   3.682   2.307   9.390
  217    HE3  LYS  27           2HE      LYS  27   5.077   3.177  10.022
  218    HZ1  LYS  27           3HZ      LYS  27   4.343   5.040   9.110
  219    HZ2  LYS  27           1HZ      LYS  27   2.924   4.238   8.656
  220    HZ3  LYS  27           2HZ      LYS  27   4.227   4.325   7.580
  221    H    CYS  28           H        CYS  28   3.444  -1.383   3.972
  222    HA   CYS  28           HA       CYS  28   1.122  -2.431   5.269
  223    HB2  CYS  28           1HB      CYS  28   2.833  -3.883   3.255
  224    HB3  CYS  28           2HB      CYS  28   1.117  -4.101   3.575
  225    HG   CYS  28           HG       CYS  28   1.316  -1.026   2.742
  226    HA   PRO  29           HA       PRO  29   2.908  -5.124   8.238
  227    HB2  PRO  29           1HB      PRO  29   1.098  -7.147   8.252
  228    HB3  PRO  29           2HB      PRO  29   0.766  -5.558   8.949
  229    HG2  PRO  29           1HG      PRO  29  -0.035  -6.662   6.284
  230    HG3  PRO  29           2HG      PRO  29  -0.992  -5.712   7.435
  231    HD2  PRO  29           1HD      PRO  29   0.158  -4.617   5.242
  232    HD3  PRO  29           2HD      PRO  29  -0.058  -3.717   6.757
  233    H    LYS  30           H        LYS  30   4.546  -5.422   6.272
  234    HA   LYS  30           HA       LYS  30   4.846  -8.314   5.968
  235    HB2  LYS  30           1HB      LYS  30   5.036  -6.350   3.677
  236    HB3  LYS  30           2HB      LYS  30   5.499  -8.045   3.591
  237    HG2  LYS  30           1HG      LYS  30   3.410  -8.212   2.739
  238    HG3  LYS  30           2HG      LYS  30   3.008  -8.370   4.450
  239    HD2  LYS  30           1HD      LYS  30   2.548  -5.948   4.536
  240    HD3  LYS  30           2HD      LYS  30   2.888  -5.840   2.807
  241    HE2  LYS  30           1HE      LYS  30   0.458  -5.977   3.393
  242    HE3  LYS  30           2HE      LYS  30   1.019  -7.221   2.277
  243    HZ1  LYS  30           3HZ      LYS  30   0.558  -8.831   3.733
  244    HZ2  LYS  30           1HZ      LYS  30  -0.394  -7.680   4.527
  245    HZ3  LYS  30           2HZ      LYS  30   1.186  -7.978   5.051
  246    H    PHE  31           H        PHE  31   6.191  -6.766   7.781
  247    HA   PHE  31           HA       PHE  31   8.714  -5.888   6.716
  248    HB2  PHE  31           1HB      PHE  31   8.071  -6.407   9.618
  249    HB3  PHE  31           2HB      PHE  31   9.289  -5.321   8.957
  250    HD1  PHE  31           2HD      PHE  31   8.651  -3.175   7.994
  251    HD2  PHE  31           1HD      PHE  31   5.765  -5.766   9.749
  252    HE1  PHE  31           2HE      PHE  31   7.043  -1.316   8.086
  253    HE2  PHE  31           1HE      PHE  31   4.151  -3.910   9.842
  254    HZ   PHE  31           HZ       PHE  31   4.790  -1.681   9.011
  255    H    ASP  32           H        ASP  32  10.360  -7.159   6.220
  256    HA   ASP  32           HA       ASP  32  11.824  -8.901   6.186
  257    HB2  ASP  32           1HB      ASP  32  11.274  -8.463   8.893
  258    HB3  ASP  32           2HB      ASP  32  11.111 -10.204   8.676
  259    H    ASN  33           H        ASN  33   8.786  -9.161   5.627
  260    HA   ASN  33           HA       ASN  33   8.824 -12.093   5.367
  261    HB2  ASN  33           1HB      ASN  33   6.841 -10.384   6.661
  262    HB3  ASN  33           2HB      ASN  33   6.137 -11.424   5.425
  263   HD21  ASN  33          2HD2      ASN  33   7.401 -11.230   8.570
  264   HD22  ASN  33          1HD2      ASN  33   7.287 -12.907   8.975
  265    H    LYS  34           H        LYS  34   7.773  -9.001   4.070
  266    HA   LYS  34           HA       LYS  34   8.146  -9.779   1.394
  267    HB2  LYS  34           1HB      LYS  34   5.934 -10.974   2.169
  268    HB3  LYS  34           2HB      LYS  34   5.228  -9.382   1.926
  269    HG2  LYS  34           1HG      LYS  34   5.425  -9.483  -0.328
  270    HG3  LYS  34           2HG      LYS  34   6.901 -10.450  -0.267
  271    HD2  LYS  34           1HD      LYS  34   4.239 -11.583   0.540
  272    HD3  LYS  34           2HD      LYS  34   4.768 -11.571  -1.144
  273    HE2  LYS  34           1HE      LYS  34   6.785 -12.816  -0.504
  274    HE3  LYS  34           2HE      LYS  34   6.228 -12.845   1.168
  275    HZ1  LYS  34           3HZ      LYS  34   4.414 -13.879  -0.873
  276    HZ2  LYS  34           1HZ      LYS  34   4.659 -14.397   0.719
  277    HZ3  LYS  34           2HZ      LYS  34   5.764 -14.822  -0.489
  278    H    LYS  35           H        LYS  35   9.223  -7.687   2.265
  279    HA   LYS  35           HA       LYS  35   7.571  -5.336   2.310
  280    HB2  LYS  35           1HB      LYS  35  10.524  -5.853   2.425
  281    HB3  LYS  35           2HB      LYS  35   9.924  -4.220   2.167
  282    HG2  LYS  35           1HG      LYS  35   8.459  -4.774   4.276
  283    HG3  LYS  35           2HG      LYS  35   9.738  -5.954   4.574
  284    HD2  LYS  35           1HD      LYS  35  10.468  -4.054   5.711
  285    HD3  LYS  35           2HD      LYS  35  11.352  -3.986   4.185
  286    HE2  LYS  35           1HE      LYS  35   9.835  -2.354   3.308
  287    HE3  LYS  35           2HE      LYS  35   8.761  -2.534   4.695
  288    HZ1  LYS  35           3HZ      LYS  35  10.348  -0.549   4.644
  289    HZ2  LYS  35           1HZ      LYS  35  11.559  -1.661   5.044
  290    HZ3  LYS  35           2HZ      LYS  35  10.241  -1.435   6.081
  291    H    CYS  36           H        CYS  36   6.759  -6.285   0.067
  292    HA   CYS  36           HA       CYS  36   6.457  -5.843  -2.143
  293    HB2  CYS  36           1HB      CYS  36   6.745  -3.473  -1.322
  294    HB3  CYS  36           2HB      CYS  36   8.439  -3.591  -1.784
  295    HG   CYS  36           HG       CYS  36   6.380  -2.276  -3.601
  296    H    THR  37           H        THR  37   7.431  -6.158  -4.209
  297    HA   THR  37           HA       THR  37  10.276  -6.768  -4.290
  298    HB   THR  37           HB       THR  37   9.800  -8.998  -5.390
  299    HG1  THR  37           1HG      THR  37   7.701  -9.188  -5.776
  300   HG21  THR  37          3HG2      THR  37  10.011 -10.120  -3.395
  301   HG22  THR  37          1HG2      THR  37   8.806  -9.122  -2.580
  302   HG23  THR  37          2HG2      THR  37  10.423  -8.484  -2.882
  303    H    LYS  38           H        LYS  38   8.792  -4.711  -5.514
  304    HA   LYS  38           HA       LYS  38   9.714  -4.821  -8.135
  305    HB2  LYS  38           1HB      LYS  38   7.410  -6.361  -7.865
  306    HB3  LYS  38           2HB      LYS  38   6.835  -4.845  -8.546
  307    HG2  LYS  38           1HG      LYS  38   8.919  -5.237 -10.153
  308    HG3  LYS  38           2HG      LYS  38   8.585  -6.918  -9.726
  309    HD2  LYS  38           1HD      LYS  38   6.083  -5.861 -10.260
  310    HD3  LYS  38           2HD      LYS  38   7.123  -5.114 -11.475
  311    HE2  LYS  38           1HE      LYS  38   6.385  -7.099 -12.473
  312    HE3  LYS  38           2HE      LYS  38   8.012  -7.470 -11.904
  313    HZ1  LYS  38           3HZ      LYS  38   5.867  -8.984 -11.407
  314    HZ2  LYS  38           1HZ      LYS  38   5.890  -8.024 -10.014
  315    HZ3  LYS  38           2HZ      LYS  38   7.244  -8.950 -10.424
  316    H    ASP  39           H        ASP  39   9.860  -2.786  -8.840
  317    HA   ASP  39           HA       ASP  39   9.151  -0.587  -7.344
  318    HB2  ASP  39           1HB      ASP  39  10.690  -0.017  -8.941
  319    HB3  ASP  39           2HB      ASP  39   9.928  -1.007 -10.183
  320    H    ASN  40           H        ASN  40   7.288   0.363  -6.878
  321    HA   ASN  40           HA       ASN  40   5.054   0.826  -6.851
  322    HB2  ASN  40           1HB      ASN  40   5.038   0.914  -9.839
  323    HB3  ASN  40           2HB      ASN  40   4.315   2.028  -8.683
  324   HD21  ASN  40          2HD2      ASN  40   6.462   2.595  -7.073
  325   HD22  ASN  40          1HD2      ASN  40   7.657   3.447  -7.986
  326    H    ASN  41           H        ASN  41   5.316  -1.780  -6.493
  327    HA   ASN  41           HA       ASN  41   4.175  -3.506  -8.380
  328    HB2  ASN  41           1HB      ASN  41   5.161  -3.708  -5.752
  329    HB3  ASN  41           2HB      ASN  41   3.510  -4.316  -5.691
  330   HD21  ASN  41          2HD2      ASN  41   5.856  -5.844  -5.291
  331   HD22  ASN  41          1HD2      ASN  41   5.930  -7.032  -6.543
  332    H    LYS  42           H        LYS  42   2.080  -4.816  -7.247
  333    HA   LYS  42           HA       LYS  42  -0.066  -2.823  -7.463
  334    HB2  LYS  42           1HB      LYS  42   0.314  -5.249  -8.761
  335    HB3  LYS  42           2HB      LYS  42  -0.899  -5.614  -7.541
  336    HG2  LYS  42           1HG      LYS  42  -2.486  -4.382  -8.555
  337    HG3  LYS  42           2HG      LYS  42  -1.342  -3.145  -9.081
  338    HD2  LYS  42           1HD      LYS  42  -0.596  -4.527 -10.899
  339    HD3  LYS  42           2HD      LYS  42  -1.556  -5.889 -10.315
  340    HE2  LYS  42           1HE      LYS  42  -3.554  -4.929 -10.980
  341    HE3  LYS  42           2HE      LYS  42  -2.890  -3.296 -10.975
  342    HZ1  LYS  42           3HZ      LYS  42  -1.659  -3.786 -12.957
  343    HZ2  LYS  42           1HZ      LYS  42  -3.282  -4.181 -13.222
  344    HZ3  LYS  42           2HZ      LYS  42  -2.151  -5.404 -12.932
  345    H    CYS  43           H        CYS  43  -0.807  -2.152  -5.560
  346    HA   CYS  43           HA       CYS  43  -1.156  -4.148  -3.420
  347    HB2  CYS  43           1HB      CYS  43  -0.668  -2.489  -1.782
  348    HB3  CYS  43           2HB      CYS  43   0.595  -2.371  -3.001
  349    HG   CYS  43           HG       CYS  43   0.172   0.219  -2.412
  350    H    THR  44           H        THR  44  -2.679  -2.741  -1.667
  351    HA   THR  44           HA       THR  44  -4.877  -1.392  -2.858
  352    HB   THR  44           HB       THR  44  -6.279  -3.596  -1.845
  353    HG1  THR  44           1HG      THR  44  -4.548  -4.580  -3.840
  354   HG21  THR  44          3HG2      THR  44  -6.578  -3.902  -4.487
  355   HG22  THR  44          1HG2      THR  44  -5.847  -2.297  -4.474
  356   HG23  THR  44          2HG2      THR  44  -7.343  -2.593  -3.587
  357    H    VAL  45           H        VAL  45  -6.559  -0.864  -1.304
  358    HA   VAL  45           HA       VAL  45  -6.045  -1.510   1.482
  359    HB   VAL  45           HB       VAL  45  -5.960   1.342   0.488
  360   HG11  VAL  45          1HG1      VAL  45  -7.052   1.569   2.499
  361   HG12  VAL  45          2HG1      VAL  45  -6.265   0.157   3.209
  362   HG13  VAL  45          3HG1      VAL  45  -5.368   1.664   3.015
  363   HG21  VAL  45          3HG2      VAL  45  -3.692   1.298   1.564
  364   HG22  VAL  45          1HG2      VAL  45  -3.871  -0.451   1.711
  365   HG23  VAL  45          2HG2      VAL  45  -3.848   0.303   0.116
  366    H    ASP  46           H        ASP  46  -8.028  -2.316   1.875
  367    HA   ASP  46           HA       ASP  46 -10.404  -0.975   0.889
  368    HB2  ASP  46           1HB      ASP  46 -10.778  -3.238   0.776
  369    HB3  ASP  46           2HB      ASP  46  -9.816  -3.578   2.213
  370    H    THR  47           H        THR  47 -11.910   0.093   2.111
  371    HA   THR  47           HA       THR  47 -10.984   1.066   4.689
  372    HB   THR  47           HB       THR  47 -13.459   2.228   4.227
  373    HG1  THR  47           1HG      THR  47 -13.117   2.938   1.967
  374   HG21  THR  47          3HG2      THR  47 -12.157   4.221   3.638
  375   HG22  THR  47          1HG2      THR  47 -10.728   3.218   3.400
  376   HG23  THR  47          2HG2      THR  47 -11.442   3.369   5.005
  377    H    TYR  48           H        TYR  48 -13.237  -1.200   3.427
  378    HA   TYR  48           HA       TYR  48 -15.271  -1.287   5.256
  379    HB2  TYR  48           1HB      TYR  48 -14.992  -2.776   3.252
  380    HB3  TYR  48           2HB      TYR  48 -13.860  -3.740   4.194
  381    HD1  TYR  48           1HD      TYR  48 -14.764  -4.663   6.462
  382    HD2  TYR  48           2HD      TYR  48 -17.248  -3.320   3.278
  383    HE1  TYR  48           1HE      TYR  48 -16.634  -5.975   7.374
  384    HE2  TYR  48           2HE      TYR  48 -19.124  -4.627   4.183
  385    HH   TYR  48           HH       TYR  48 -19.854  -5.611   6.255
  386    H    ASN  49           H        ASN  49 -12.065  -2.783   5.575
  387    HA   ASN  49           HA       ASN  49 -12.252  -2.584   8.458
  388    HB2  ASN  49           1HB      ASN  49 -13.307  -4.788   7.871
  389    HB3  ASN  49           2HB      ASN  49 -11.760  -5.285   7.190
  390   HD21  ASN  49          2HD2      ASN  49 -10.456  -6.347   8.487
  391   HD22  ASN  49          1HD2      ASN  49 -10.496  -6.322  10.213
  392    H    ASN  50           H        ASN  50 -10.611  -1.306   6.545
  393    HA   ASN  50           HA       ASN  50  -8.435  -0.878   5.996
  394    HB2  ASN  50           1HB      ASN  50  -8.668  -0.640   8.611
  395    HB3  ASN  50           2HB      ASN  50  -7.602  -2.041   8.624
  396   HD21  ASN  50          2HD2      ASN  50  -7.790   0.881   6.621
  397   HD22  ASN  50          1HD2      ASN  50  -6.151   1.365   6.875
  398    H    ALA  51           H        ALA  51  -8.722  -2.781   4.468
  399    HA   ALA  51           HA       ALA  51  -7.050  -5.072   5.200
  400    HB1  ALA  51           1HB      ALA  51  -8.268  -5.156   2.559
  401    HB2  ALA  51           2HB      ALA  51  -8.354  -6.316   3.885
  402    HB3  ALA  51           3HB      ALA  51  -9.445  -4.931   3.852
  403    H    VAL  52           H        VAL  52  -4.951  -4.592   4.891
  404    HA   VAL  52           HA       VAL  52  -4.146  -3.142   2.477
  405    HB   VAL  52           HB       VAL  52  -2.384  -3.995   4.774
  406   HG11  VAL  52          1HG1      VAL  52  -0.704  -2.991   3.702
  407   HG12  VAL  52          2HG1      VAL  52  -1.740  -3.027   2.274
  408   HG13  VAL  52          3HG1      VAL  52  -1.693  -1.589   3.296
  409   HG21  VAL  52          3HG2      VAL  52  -4.200  -1.657   4.465
  410   HG22  VAL  52          1HG2      VAL  52  -3.789  -2.586   5.906
  411   HG23  VAL  52          2HG2      VAL  52  -2.642  -1.414   5.255
  412    H    ASP  53           H        ASP  53  -3.169  -4.097   0.805
  413    HA   ASP  53           HA       ASP  53  -2.098  -6.814   1.160
  414    HB2  ASP  53           1HB      ASP  53  -3.984  -5.828  -0.974
  415    HB3  ASP  53           2HB      ASP  53  -2.976  -7.252  -1.211
  416    H    CYS  54           H        CYS  54  -0.688  -7.462  -0.723
  417    HA   CYS  54           HA       CYS  54   0.552  -5.276  -2.168
  418    HB2  CYS  54           1HB      CYS  54   2.752  -5.562  -1.289
  419    HB3  CYS  54           2HB      CYS  54   1.677  -5.368   0.089
  420    HG   CYS  54           HG       CYS  54   3.708  -7.284   0.616
  421    H    ASP  55           H        ASP  55   2.290  -6.090  -3.646
  422    HA   ASP  55           HA       ASP  55   1.558  -8.769  -4.617
  423    HB2  ASP  55           1HB      ASP  55   1.684  -6.307  -5.948
  424    HB3  ASP  55           2HB      ASP  55   3.101  -7.198  -6.495
  Start of MODEL   15
    1    H1   ALA   1           H        ALA   1 -16.059   0.082   1.316
    2    HA   ALA   1           HA       ALA   1 -15.342   0.073  -1.529
    3    HB1  ALA   1           1HB      ALA   1 -16.199   2.103   0.272
    4    HB2  ALA   1           2HB      ALA   1 -14.583   2.508  -0.307
    5    HB3  ALA   1           3HB      ALA   1 -15.887   2.221  -1.459
    6    H    LYS   2           H        LYS   2 -13.229   0.326  -2.227
    7    HA   LYS   2           HA       LYS   2 -11.103   0.363  -0.221
    8    HB2  LYS   2           1HB      LYS   2 -10.002  -1.491  -1.738
    9    HB3  LYS   2           2HB      LYS   2 -11.104  -1.926  -0.439
   10    HG2  LYS   2           1HG      LYS   2 -12.676  -2.693  -1.849
   11    HG3  LYS   2           2HG      LYS   2 -12.367  -1.435  -3.048
   12    HD2  LYS   2           1HD      LYS   2 -10.266  -2.640  -3.660
   13    HD3  LYS   2           2HD      LYS   2 -10.760  -3.945  -2.579
   14    HE2  LYS   2           1HE      LYS   2 -12.864  -4.145  -3.907
   15    HE3  LYS   2           2HE      LYS   2 -12.202  -2.968  -5.041
   16    HZ1  LYS   2           3HZ      LYS   2 -11.692  -5.754  -4.852
   17    HZ2  LYS   2           1HZ      LYS   2 -10.248  -4.880  -4.735
   18    HZ3  LYS   2           2HZ      LYS   2 -11.258  -4.669  -6.075
   19    H    TYR   3           H        TYR   3  -8.922   0.601  -1.277
   20    HA   TYR   3           HA       TYR   3  -9.158   2.207  -3.738
   21    HB2  TYR   3           1HB      TYR   3  -7.351   2.635  -1.353
   22    HB3  TYR   3           2HB      TYR   3  -7.200   3.512  -2.871
   23    HD1  TYR   3           2HD      TYR   3  -9.483   2.881  -0.018
   24    HD2  TYR   3           1HD      TYR   3  -8.542   5.397  -3.318
   25    HE1  TYR   3           2HE      TYR   3 -11.125   4.529   0.779
   26    HE2  TYR   3           1HE      TYR   3 -10.181   7.053  -2.529
   27    HH   TYR   3           HH       TYR   3 -11.624   6.877   0.574
   28    H    THR   4           H        THR   4  -7.548   2.011  -5.284
   29    HA   THR   4           HA       THR   4  -5.777  -0.319  -4.944
   30    HB   THR   4           HB       THR   4  -6.692   0.831  -7.581
   31    HG1  THR   4           1HG      THR   4  -8.561   0.006  -6.955
   32   HG21  THR   4          3HG2      THR   4  -6.056  -1.441  -8.390
   33   HG22  THR   4          1HG2      THR   4  -5.416  -1.787  -6.784
   34   HG23  THR   4          2HG2      THR   4  -4.699  -0.507  -7.763
   35    H    GLY   5           H        GLY   5  -3.660   0.051  -4.893
   36    HA2  GLY   5           1HA      GLY   5  -2.554   2.307  -6.400
   37    HA3  GLY   5           2HA      GLY   5  -2.267   2.265  -4.667
   38    H    LYS   6           H        LYS   6  -0.120   1.898  -4.574
   39    HA   LYS   6           HA       LYS   6   0.823  -0.736  -5.193
   40    HB2  LYS   6           1HB      LYS   6   2.784   0.272  -6.575
   41    HB3  LYS   6           2HB      LYS   6   1.249  -0.052  -7.370
   42    HG2  LYS   6           1HG      LYS   6   1.414   2.627  -6.232
   43    HG3  LYS   6           2HG      LYS   6   2.639   2.305  -7.462
   44    HD2  LYS   6           1HD      LYS   6  -0.317   1.811  -7.820
   45    HD3  LYS   6           2HD      LYS   6   0.529   3.259  -8.372
   46    HE2  LYS   6           1HE      LYS   6   1.162   2.216 -10.227
   47    HE3  LYS   6           2HE      LYS   6   1.943   0.950  -9.280
   48    HZ1  LYS   6           3HZ      LYS   6  -0.480   0.083  -9.050
   49    HZ2  LYS   6           1HZ      LYS   6   0.401  -0.238 -10.458
   50    HZ3  LYS   6           2HZ      LYS   6  -0.752   1.000 -10.445
   51    H    CYS   7           H        CYS   7   3.342  -0.762  -4.805
   52    HA   CYS   7           HA       CYS   7   3.871   0.932  -2.452
   53    HB2  CYS   7           1HB      CYS   7   3.950  -1.949  -2.786
   54    HB3  CYS   7           2HB      CYS   7   5.502  -1.328  -2.239
   55    HG   CYS   7           HG       CYS   7   4.419  -0.035   0.012
   56    H    THR   8           H        THR   8   6.432   0.600  -1.961
   57    HA   THR   8           HA       THR   8   7.835   1.212  -4.481
   58    HB   THR   8           HB       THR   8   9.180   2.570  -2.410
   59    HG1  THR   8           1HG      THR   8   7.038   2.344  -1.341
   60   HG21  THR   8          3HG2      THR   8   8.479   3.043  -4.977
   61   HG22  THR   8          1HG2      THR   8   9.110   4.279  -3.889
   62   HG23  THR   8          2HG2      THR   8   7.370   4.129  -4.140
   63    H    LYS   9           H        LYS   9   9.756   0.236  -4.791
   64    HA   LYS   9           HA       LYS   9  10.507  -2.009  -3.353
   65    HB2  LYS   9           1HB      LYS   9  12.766  -1.672  -4.504
   66    HB3  LYS   9           2HB      LYS   9  11.353  -1.826  -5.540
   67    HG2  LYS   9           1HG      LYS   9  11.321   0.490  -6.003
   68    HG3  LYS   9           2HG      LYS   9  12.482   0.835  -4.719
   69    HD2  LYS   9           1HD      LYS   9  13.644   0.944  -6.805
   70    HD3  LYS   9           2HD      LYS   9  14.158  -0.527  -5.978
   71    HE2  LYS   9           1HE      LYS   9  12.964  -1.902  -7.420
   72    HE3  LYS   9           2HE      LYS   9  11.895  -0.599  -7.935
   73    HZ1  LYS   9           3HZ      LYS   9  13.650  -1.342  -9.570
   74    HZ2  LYS   9           1HZ      LYS   9  14.788  -0.601  -8.561
   75    HZ3  LYS   9           2HZ      LYS   9  13.563   0.321  -9.276
   76    H    SER  10           H        SER  10  11.524   1.339  -2.978
   77    HA   SER  10           HA       SER  10  13.332   0.587  -0.803
   78    HB2  SER  10           1HB      SER  10  13.767   3.164  -0.882
   79    HB3  SER  10           2HB      SER  10  14.424   2.137  -2.155
   80    HG   SER  10           HG       SER  10  12.647   4.154  -2.345
   81    H    LYS  11           H        LYS  11  10.308   0.583  -0.727
   82    HA   LYS  11           HA       LYS  11   9.970   1.393   1.924
   83    HB2  LYS  11           1HB      LYS  11  10.041   3.612   0.342
   84    HB3  LYS  11           2HB      LYS  11   8.317   3.262   0.356
   85    HG2  LYS  11           1HG      LYS  11   8.724   4.775   2.122
   86    HG3  LYS  11           2HG      LYS  11   8.454   3.195   2.863
   87    HD2  LYS  11           1HD      LYS  11  10.312   3.971   4.009
   88    HD3  LYS  11           2HD      LYS  11  11.040   2.981   2.739
   89    HE2  LYS  11           1HE      LYS  11  11.986   4.755   1.731
   90    HE3  LYS  11           2HE      LYS  11  10.580   5.784   2.001
   91    HZ1  LYS  11           3HZ      LYS  11  12.025   6.788   3.399
   92    HZ2  LYS  11           1HZ      LYS  11  12.943   5.391   3.664
   93    HZ3  LYS  11           2HZ      LYS  11  11.473   5.604   4.473
   94    H    ASN  12           H        ASN  12   8.723  -0.329   2.343
   95    HA   ASN  12           HA       ASN  12   6.655  -1.193   0.536
   96    HB2  ASN  12           1HB      ASN  12   7.956  -2.830   1.824
   97    HB3  ASN  12           2HB      ASN  12   7.344  -2.142   3.326
   98   HD21  ASN  12          2HD2      ASN  12   6.224  -3.834   4.099
   99   HD22  ASN  12          1HD2      ASN  12   4.873  -4.559   3.302
  100    H    GLU  13           H        GLU  13   5.763   1.151   0.822
  101    HA   GLU  13           HA       GLU  13   3.623   0.994   2.833
  102    HB2  GLU  13           1HB      GLU  13   3.855   3.244   3.453
  103    HB3  GLU  13           2HB      GLU  13   5.506   2.642   3.394
  104    HG2  GLU  13           1HG      GLU  13   5.719   3.605   1.119
  105    HG3  GLU  13           2HG      GLU  13   4.116   4.310   1.313
  106    H    CYS  14           H        CYS  14   1.617   1.476   2.119
  107    HA   CYS  14           HA       CYS  14   1.088   1.521  -0.640
  108    HB2  CYS  14           1HB      CYS  14  -1.169   1.547  -0.072
  109    HB3  CYS  14           2HB      CYS  14  -0.431   0.822   1.350
  110    HG   CYS  14           HG       CYS  14  -2.192   2.399   2.559
  111    H    LYS  15           H        LYS  15   0.334   3.152  -2.002
  112    HA   LYS  15           HA       LYS  15   0.582   5.908  -1.017
  113    HB2  LYS  15           1HB      LYS  15   1.692   6.492  -3.200
  114    HB3  LYS  15           2HB      LYS  15   2.670   5.527  -2.102
  115    HG2  LYS  15           1HG      LYS  15   2.608   3.682  -3.441
  116    HG3  LYS  15           2HG      LYS  15   1.047   4.110  -4.148
  117    HD2  LYS  15           1HD      LYS  15   3.573   5.655  -4.691
  118    HD3  LYS  15           2HD      LYS  15   3.048   4.293  -5.683
  119    HE2  LYS  15           1HE      LYS  15   1.457   6.803  -5.159
  120    HE3  LYS  15           2HE      LYS  15   2.361   6.453  -6.632
  121    HZ1  LYS  15           3HZ      LYS  15   0.931   4.445  -6.880
  122    HZ2  LYS  15           1HZ      LYS  15   0.100   5.912  -7.024
  123    HZ3  LYS  15           2HZ      LYS  15  -0.015   5.012  -5.597
  124    H    TYR  16           H        TYR  16  -1.788   5.618  -0.999
  125    HA   TYR  16           HA       TYR  16  -2.936   5.967  -3.691
  126    HB2  TYR  16           1HB      TYR  16  -4.920   4.897  -2.997
  127    HB3  TYR  16           2HB      TYR  16  -3.624   3.904  -2.340
  128    HD1  TYR  16           1HD      TYR  16  -2.908   4.486   0.121
  129    HD2  TYR  16           2HD      TYR  16  -6.649   5.549  -1.603
  130    HE1  TYR  16           1HE      TYR  16  -3.874   4.707   2.371
  131    HE2  TYR  16           2HE      TYR  16  -7.626   5.774   0.643
  132    HH   TYR  16           HH       TYR  16  -6.401   4.513   3.315
  133    H    LYS  17           H        LYS  17  -5.383   6.938  -3.113
  134    HA   LYS  17           HA       LYS  17  -4.860   9.414  -1.604
  135    HB2  LYS  17           1HB      LYS  17  -6.014   9.013  -4.328
  136    HB3  LYS  17           2HB      LYS  17  -6.625  10.339  -3.346
  137    HG2  LYS  17           1HG      LYS  17  -4.562  11.424  -3.310
  138    HG3  LYS  17           2HG      LYS  17  -3.688   9.971  -3.802
  139    HD2  LYS  17           1HD      LYS  17  -5.400  10.322  -5.895
  140    HD3  LYS  17           2HD      LYS  17  -5.062  11.990  -5.427
  141    HE2  LYS  17           1HE      LYS  17  -2.680  11.594  -5.624
  142    HE3  LYS  17           2HE      LYS  17  -2.967   9.893  -5.987
  143    HZ1  LYS  17           3HZ      LYS  17  -3.105  10.435  -8.113
  144    HZ2  LYS  17           1HZ      LYS  17  -2.917  12.077  -7.756
  145    HZ3  LYS  17           2HZ      LYS  17  -4.463  11.391  -7.792
  146    H    ASN  18           H        ASN  18  -6.172   9.645   0.073
  147    HA   ASN  18           HA       ASN  18  -8.792   8.303   0.005
  148    HB2  ASN  18           1HB      ASN  18  -8.642   7.898   2.285
  149    HB3  ASN  18           2HB      ASN  18  -6.961   7.732   1.786
  150   HD21  ASN  18          2HD2      ASN  18  -5.683   9.805   1.899
  151   HD22  ASN  18          1HD2      ASN  18  -5.934  10.793   3.293
  152    H    ASP  19           H        ASP  19 -10.546   9.387   1.187
  153    HA   ASP  19           HA       ASP  19 -11.863  11.178   1.705
  154    HB2  ASP  19           1HB      ASP  19  -9.684  11.911   2.911
  155    HB3  ASP  19           2HB      ASP  19  -9.485  13.010   1.549
  156    H    ALA  20           H        ALA  20  -9.344  12.660  -0.335
  157    HA   ALA  20           HA       ALA  20 -10.799  12.624  -2.729
  158    HB1  ALA  20           1HB      ALA  20 -12.401  14.073  -1.769
  159    HB2  ALA  20           2HB      ALA  20 -11.156  15.107  -1.068
  160    HB3  ALA  20           3HB      ALA  20 -11.395  15.077  -2.815
  161    H    GLY  21           H        GLY  21  -8.134  12.224  -1.929
  162    HA2  GLY  21           1HA      GLY  21  -6.293  12.698  -3.454
  163    HA3  GLY  21           2HA      GLY  21  -6.807  14.379  -3.449
  164    H    LYS  22           H        LYS  22  -6.944  12.821  -0.416
  165    HA   LYS  22           HA       LYS  22  -4.867  14.530   0.614
  166    HB2  LYS  22           1HB      LYS  22  -6.886  12.670   1.774
  167    HB3  LYS  22           2HB      LYS  22  -5.473  13.058   2.745
  168    HG2  LYS  22           1HG      LYS  22  -7.387  14.511   3.235
  169    HG3  LYS  22           2HG      LYS  22  -5.993  15.412   2.635
  170    HD2  LYS  22           1HD      LYS  22  -6.990  15.541   0.428
  171    HD3  LYS  22           2HD      LYS  22  -8.353  14.553   0.960
  172    HE2  LYS  22           1HE      LYS  22  -9.333  16.557   1.288
  173    HE3  LYS  22           2HE      LYS  22  -8.436  16.517   2.805
  174    HZ1  LYS  22           3HZ      LYS  22  -8.242  18.609   1.437
  175    HZ2  LYS  22           1HZ      LYS  22  -7.317  17.715   0.340
  176    HZ3  LYS  22           2HZ      LYS  22  -6.783  17.911   1.932
  177    H    ASP  23           H        ASP  23  -2.800  14.001   0.365
  178    HA   ASP  23           HA       ASP  23  -1.767  11.528  -0.318
  179    HB2  ASP  23           1HB      ASP  23  -0.530  13.893   1.082
  180    HB3  ASP  23           2HB      ASP  23   0.408  12.454   0.688
  181    H    THR  24           H        THR  24  -1.428   9.685   0.733
  182    HA   THR  24           HA       THR  24  -1.005   9.675   3.612
  183    HB   THR  24           HB       THR  24  -3.287   8.155   2.335
  184    HG1  THR  24           1HG      THR  24  -3.389  10.043   4.458
  185   HG21  THR  24          3HG2      THR  24  -2.149   6.795   4.018
  186   HG22  THR  24          1HG2      THR  24  -3.734   7.310   4.595
  187   HG23  THR  24          2HG2      THR  24  -2.278   8.113   5.182
  188    H    PHE  25           H        PHE  25   0.477   8.207   4.159
  189    HA   PHE  25           HA       PHE  25   0.876   5.871   2.426
  190    HB2  PHE  25           1HB      PHE  25   3.092   7.656   3.456
  191    HB3  PHE  25           2HB      PHE  25   3.316   6.160   2.555
  192    HD1  PHE  25           2HD      PHE  25   1.828   9.551   2.311
  193    HD2  PHE  25           1HD      PHE  25   3.386   6.179   0.232
  194    HE1  PHE  25           2HE      PHE  25   1.736  10.813   0.202
  195    HE2  PHE  25           1HE      PHE  25   3.297   7.437  -1.880
  196    HZ   PHE  25           HZ       PHE  25   2.471   9.756  -1.898
  197    H    ILE  26           H        ILE  26   0.901   4.046   3.552
  198    HA   ILE  26           HA       ILE  26   1.899   4.074   6.312
  199    HB   ILE  26           HB       ILE  26  -0.452   4.205   6.646
  200   HG12  ILE  26          1HG1      ILE  26  -0.939   2.090   7.760
  201   HG13  ILE  26          2HG1      ILE  26   0.322   1.285   6.832
  202   HG21  ILE  26          1HG2      ILE  26  -1.315   3.707   4.498
  203   HG22  ILE  26          2HG2      ILE  26  -0.648   2.076   4.532
  204   HG23  ILE  26          3HG2      ILE  26  -1.987   2.503   5.598
  205   HD11  ILE  26          3HD1      ILE  26   0.558   2.475   9.335
  206   HD12  ILE  26          1HD1      ILE  26   1.858   1.863   8.312
  207   HD13  ILE  26          2HD1      ILE  26   1.388   3.562   8.222
  208    H    LYS  27           H        LYS  27   3.252   2.451   6.719
  209    HA   LYS  27           HA       LYS  27   4.060   0.637   4.735
  210    HB2  LYS  27           1HB      LYS  27   4.562   0.849   7.687
  211    HB3  LYS  27           2HB      LYS  27   5.153  -0.540   6.786
  212    HG2  LYS  27           1HG      LYS  27   6.728   0.667   5.683
  213    HG3  LYS  27           2HG      LYS  27   5.765   2.146   5.698
  214    HD2  LYS  27           1HD      LYS  27   6.575   2.808   7.707
  215    HD3  LYS  27           2HD      LYS  27   6.671   1.159   8.330
  216    HE2  LYS  27           1HE      LYS  27   8.604   0.941   6.574
  217    HE3  LYS  27           2HE      LYS  27   8.643   2.700   6.702
  218    HZ1  LYS  27           3HZ      LYS  27   8.843   0.860   9.023
  219    HZ2  LYS  27           1HZ      LYS  27   9.056   2.537   9.033
  220    HZ3  LYS  27           2HZ      LYS  27  10.176   1.549   8.241
  221    H    CYS  28           H        CYS  28   3.508  -1.423   4.264
  222    HA   CYS  28           HA       CYS  28   1.089  -2.460   5.493
  223    HB2  CYS  28           1HB      CYS  28   2.653  -3.731   3.249
  224    HB3  CYS  28           2HB      CYS  28   0.954  -3.952   3.648
  225    HG   CYS  28           HG       CYS  28   2.245  -1.001   2.498
  226    HA   PRO  29           HA       PRO  29   3.108  -5.339   8.135
  227    HB2  PRO  29           1HB      PRO  29   1.124  -7.175   8.382
  228    HB3  PRO  29           2HB      PRO  29   1.071  -5.593   9.168
  229    HG2  PRO  29           1HG      PRO  29  -0.247  -6.496   6.636
  230    HG3  PRO  29           2HG      PRO  29  -0.909  -5.508   7.951
  231    HD2  PRO  29           1HD      PRO  29  -0.010  -4.436   5.633
  232    HD3  PRO  29           2HD      PRO  29   0.108  -3.586   7.188
  233    H    LYS  30           H        LYS  30   4.379  -5.708   5.925
  234    HA   LYS  30           HA       LYS  30   4.360  -8.598   5.519
  235    HB2  LYS  30           1HB      LYS  30   4.448  -6.678   3.188
  236    HB3  LYS  30           2HB      LYS  30   4.445  -8.435   3.113
  237    HG2  LYS  30           1HG      LYS  30   2.175  -6.816   4.242
  238    HG3  LYS  30           2HG      LYS  30   2.268  -7.342   2.560
  239    HD2  LYS  30           1HD      LYS  30   2.070  -9.598   3.132
  240    HD3  LYS  30           2HD      LYS  30   2.524  -9.306   4.813
  241    HE2  LYS  30           1HE      LYS  30   0.289  -9.512   5.120
  242    HE3  LYS  30           2HE      LYS  30   0.321  -7.799   4.702
  243    HZ1  LYS  30           3HZ      LYS  30  -0.777  -8.173   2.814
  244    HZ2  LYS  30           1HZ      LYS  30  -1.169  -9.687   3.462
  245    HZ3  LYS  30           2HZ      LYS  30   0.150  -9.531   2.415
  246    H    PHE  31           H        PHE  31   6.165  -7.473   7.087
  247    HA   PHE  31           HA       PHE  31   8.542  -6.887   5.478
  248    HB2  PHE  31           1HB      PHE  31   9.559  -6.310   7.715
  249    HB3  PHE  31           2HB      PHE  31   8.204  -5.296   7.228
  250    HD1  PHE  31           1HD      PHE  31   6.079  -5.418   8.379
  251    HD2  PHE  31           2HD      PHE  31   9.366  -7.849   9.563
  252    HE1  PHE  31           1HE      PHE  31   4.937  -5.922  10.499
  253    HE2  PHE  31           2HE      PHE  31   8.229  -8.358  11.686
  254    HZ   PHE  31           HZ       PHE  31   6.012  -7.395  12.156
  255    H    ASP  32           H        ASP  32   7.592  -9.523   5.394
  256    HA   ASP  32           HA       ASP  32   9.887 -11.006   5.817
  257    HB2  ASP  32           1HB      ASP  32   8.471 -10.573   8.252
  258    HB3  ASP  32           2HB      ASP  32   8.306 -12.273   7.823
  259    H    ASN  33           H        ASN  33   6.440 -10.857   5.513
  260    HA   ASN  33           HA       ASN  33   6.358 -13.577   4.413
  261    HB2  ASN  33           1HB      ASN  33   3.991 -11.794   4.988
  262    HB3  ASN  33           2HB      ASN  33   3.994 -13.537   4.735
  263   HD21  ASN  33          2HD2      ASN  33   2.890 -12.137   6.954
  264   HD22  ASN  33          1HD2      ASN  33   3.737 -12.661   8.367
  265    H    LYS  34           H        LYS  34   6.408 -10.304   3.502
  266    HA   LYS  34           HA       LYS  34   6.471 -10.863   0.750
  267    HB2  LYS  34           1HB      LYS  34   3.945 -11.098   1.454
  268    HB3  LYS  34           2HB      LYS  34   3.980  -9.340   1.398
  269    HG2  LYS  34           1HG      LYS  34   3.534  -9.521  -0.766
  270    HG3  LYS  34           2HG      LYS  34   5.189 -10.096  -0.969
  271    HD2  LYS  34           1HD      LYS  34   4.457 -12.392  -0.726
  272    HD3  LYS  34           2HD      LYS  34   2.807 -11.858  -0.397
  273    HE2  LYS  34           1HE      LYS  34   2.408 -11.298  -2.585
  274    HE3  LYS  34           2HE      LYS  34   4.108 -10.979  -2.925
  275    HZ1  LYS  34           3HZ      LYS  34   4.483 -13.411  -2.767
  276    HZ2  LYS  34           1HZ      LYS  34   3.476 -12.962  -4.050
  277    HZ3  LYS  34           2HZ      LYS  34   2.810 -13.631  -2.647
  278    H    LYS  35           H        LYS  35   8.335  -9.540   1.615
  279    HA   LYS  35           HA       LYS  35   7.865  -6.750   2.114
  280    HB2  LYS  35           1HB      LYS  35  10.439  -8.227   1.533
  281    HB3  LYS  35           2HB      LYS  35  10.323  -6.569   2.106
  282    HG2  LYS  35           1HG      LYS  35  10.170  -7.234   4.213
  283    HG3  LYS  35           2HG      LYS  35   8.851  -8.343   3.829
  284    HD2  LYS  35           1HD      LYS  35  10.754  -9.540   4.777
  285    HD3  LYS  35           2HD      LYS  35  10.474 -10.024   3.102
  286    HE2  LYS  35           1HE      LYS  35  12.268  -7.791   3.178
  287    HE3  LYS  35           2HE      LYS  35  12.854  -9.057   4.256
  288    HZ1  LYS  35           3HZ      LYS  35  13.736  -9.846   2.359
  289    HZ2  LYS  35           1HZ      LYS  35  12.629  -9.045   1.363
  290    HZ3  LYS  35           2HZ      LYS  35  12.192 -10.493   2.118
  291    H    CYS  36           H        CYS  36   7.102  -5.555   0.479
  292    HA   CYS  36           HA       CYS  36   7.362  -6.007  -2.231
  293    HB2  CYS  36           1HB      CYS  36   6.703  -3.656  -0.551
  294    HB3  CYS  36           2HB      CYS  36   7.175  -3.316  -2.212
  295    HG   CYS  36           HG       CYS  36   4.800  -5.676  -1.686
  296    H    THR  37           H        THR  37   8.905  -5.711  -3.718
  297    HA   THR  37           HA       THR  37  11.216  -4.027  -3.069
  298    HB   THR  37           HB       THR  37  12.821  -5.668  -3.709
  299    HG1  THR  37           1HG      THR  37  10.554  -7.077  -4.621
  300   HG21  THR  37          3HG2      THR  37  11.324  -5.913  -1.450
  301   HG22  THR  37          1HG2      THR  37  12.764  -6.869  -1.800
  302   HG23  THR  37          2HG2      THR  37  11.164  -7.525  -2.145
  303    H    LYS  38           H        LYS  38   9.070  -3.424  -4.777
  304    HA   LYS  38           HA       LYS  38  10.521  -3.126  -7.290
  305    HB2  LYS  38           1HB      LYS  38   8.191  -4.836  -6.929
  306    HB3  LYS  38           2HB      LYS  38   7.926  -3.605  -8.156
  307    HG2  LYS  38           1HG      LYS  38   9.400  -4.522  -9.592
  308    HG3  LYS  38           2HG      LYS  38  10.491  -5.048  -8.308
  309    HD2  LYS  38           1HD      LYS  38   9.603  -7.019  -9.280
  310    HD3  LYS  38           2HD      LYS  38   8.773  -6.809  -7.736
  311    HE2  LYS  38           1HE      LYS  38   6.814  -6.813  -8.781
  312    HE3  LYS  38           2HE      LYS  38   7.307  -5.413  -9.731
  313    HZ1  LYS  38           3HZ      LYS  38   6.691  -7.230 -11.170
  314    HZ2  LYS  38           1HZ      LYS  38   7.806  -8.258 -10.421
  315    HZ3  LYS  38           2HZ      LYS  38   8.349  -6.932 -11.319
  316    H    ASP  39           H        ASP  39   9.729  -1.405  -8.618
  317    HA   ASP  39           HA       ASP  39   8.545   0.726  -7.048
  318    HB2  ASP  39           1HB      ASP  39   8.963   1.996  -9.290
  319    HB3  ASP  39           2HB      ASP  39  10.335   1.540  -8.286
  320    H    ASN  40           H        ASN  40   6.419   0.965  -6.953
  321    HA   ASN  40           HA       ASN  40   4.229   1.118  -7.553
  322    HB2  ASN  40           1HB      ASN  40   5.680   1.589 -10.064
  323    HB3  ASN  40           2HB      ASN  40   4.039   0.990 -10.288
  324   HD21  ASN  40          2HD2      ASN  40   5.551   3.190  -7.949
  325   HD22  ASN  40          1HD2      ASN  40   4.456   4.499  -8.218
  326    H    ASN  41           H        ASN  41   5.556  -1.461  -7.153
  327    HA   ASN  41           HA       ASN  41   4.836  -3.451  -8.918
  328    HB2  ASN  41           1HB      ASN  41   4.523  -4.803  -6.650
  329    HB3  ASN  41           2HB      ASN  41   6.113  -4.286  -7.204
  330   HD21  ASN  41          2HD2      ASN  41   7.060  -4.116  -5.233
  331   HD22  ASN  41          1HD2      ASN  41   6.595  -2.953  -4.043
  332    H    LYS  42           H        LYS  42   3.011  -3.048  -5.902
  333    HA   LYS  42           HA       LYS  42   0.509  -2.514  -7.014
  334    HB2  LYS  42           1HB      LYS  42   0.551  -4.625  -8.114
  335    HB3  LYS  42           2HB      LYS  42   1.140  -5.443  -6.673
  336    HG2  LYS  42           1HG      LYS  42  -0.932  -5.407  -5.647
  337    HG3  LYS  42           2HG      LYS  42  -1.518  -4.078  -6.648
  338    HD2  LYS  42           1HD      LYS  42  -2.613  -5.772  -7.690
  339    HD3  LYS  42           2HD      LYS  42  -1.085  -5.890  -8.565
  340    HE2  LYS  42           1HE      LYS  42  -0.688  -7.923  -7.747
  341    HE3  LYS  42           2HE      LYS  42  -0.997  -7.388  -6.097
  342    HZ1  LYS  42           3HZ      LYS  42  -2.591  -9.024  -7.672
  343    HZ2  LYS  42           1HZ      LYS  42  -3.432  -7.566  -7.506
  344    HZ3  LYS  42           2HZ      LYS  42  -2.939  -8.420  -6.132
  345    H    CYS  43           H        CYS  43  -1.128  -2.386  -5.453
  346    HA   CYS  43           HA       CYS  43  -0.773  -3.426  -2.809
  347    HB2  CYS  43           1HB      CYS  43   0.652  -1.172  -3.186
  348    HB3  CYS  43           2HB      CYS  43  -0.899  -0.463  -2.752
  349    HG   CYS  43           HG       CYS  43  -0.707  -2.570  -0.478
  350    H    THR  44           H        THR  44  -2.500  -2.425  -1.302
  351    HA   THR  44           HA       THR  44  -4.823  -1.327  -2.601
  352    HB   THR  44           HB       THR  44  -5.899  -3.612  -1.334
  353    HG1  THR  44           1HG      THR  44  -4.168  -4.491  -3.375
  354   HG21  THR  44          3HG2      THR  44  -6.169  -4.076  -4.017
  355   HG22  THR  44          1HG2      THR  44  -5.875  -2.339  -3.973
  356   HG23  THR  44          2HG2      THR  44  -7.217  -3.029  -3.060
  357    H    VAL  45           H        VAL  45  -6.513  -0.771  -1.108
  358    HA   VAL  45           HA       VAL  45  -5.998  -1.131   1.727
  359    HB   VAL  45           HB       VAL  45  -6.013   1.601   0.444
  360   HG11  VAL  45          1HG1      VAL  45  -7.385   1.793   2.369
  361   HG12  VAL  45          2HG1      VAL  45  -6.291   0.798   3.332
  362   HG13  VAL  45          3HG1      VAL  45  -5.797   2.412   2.821
  363   HG21  VAL  45          3HG2      VAL  45  -3.840   1.844   1.552
  364   HG22  VAL  45          1HG2      VAL  45  -3.971   0.195   2.162
  365   HG23  VAL  45          2HG2      VAL  45  -3.845   0.486   0.427
  366    H    ASP  46           H        ASP  46  -7.924  -1.988   2.234
  367    HA   ASP  46           HA       ASP  46 -10.370  -0.909   1.092
  368    HB2  ASP  46           1HB      ASP  46 -10.302  -3.064   3.177
  369    HB3  ASP  46           2HB      ASP  46 -11.443  -2.832   1.856
  370    H    THR  47           H        THR  47 -11.488   0.657   2.028
  371    HA   THR  47           HA       THR  47 -10.808   1.657   4.615
  372    HB   THR  47           HB       THR  47 -13.075   2.978   4.130
  373    HG1  THR  47           1HG      THR  47 -13.263   1.496   2.171
  374   HG21  THR  47          3HG2      THR  47 -11.676   4.556   2.703
  375   HG22  THR  47          1HG2      THR  47 -10.379   3.370   2.849
  376   HG23  THR  47          2HG2      THR  47 -11.028   4.148   4.291
  377    H    TYR  48           H        TYR  48 -12.888  -0.789   3.532
  378    HA   TYR  48           HA       TYR  48 -15.074  -0.685   5.200
  379    HB2  TYR  48           1HB      TYR  48 -15.028  -2.398   3.571
  380    HB3  TYR  48           2HB      TYR  48 -13.489  -3.024   4.153
  381    HD1  TYR  48           2HD      TYR  48 -16.505  -2.154   6.146
  382    HD2  TYR  48           1HD      TYR  48 -13.994  -5.253   4.665
  383    HE1  TYR  48           2HE      TYR  48 -17.702  -3.785   7.545
  384    HE2  TYR  48           1HE      TYR  48 -15.186  -6.894   6.058
  385    HH   TYR  48           HH       TYR  48 -17.014  -6.169   8.592
  386    H    ASN  49           H        ASN  49 -11.894  -2.117   5.900
  387    HA   ASN  49           HA       ASN  49 -12.274  -1.568   8.724
  388    HB2  ASN  49           1HB      ASN  49 -13.084  -4.011   7.919
  389    HB3  ASN  49           2HB      ASN  49 -11.375  -4.343   8.185
  390   HD21  ASN  49          2HD2      ASN  49 -10.537  -4.244  10.250
  391   HD22  ASN  49          1HD2      ASN  49 -11.539  -4.184  11.657
  392    H    ASN  50           H        ASN  50 -10.523  -0.470   6.809
  393    HA   ASN  50           HA       ASN  50  -8.325  -0.025   6.392
  394    HB2  ASN  50           1HB      ASN  50  -8.723   0.346   8.983
  395    HB3  ASN  50           2HB      ASN  50  -7.609  -1.013   9.120
  396   HD21  ASN  50          2HD2      ASN  50  -7.786   1.772   6.930
  397   HD22  ASN  50          1HD2      ASN  50  -6.186   2.339   7.248
  398    H    ALA  51           H        ALA  51  -8.720  -2.195   5.095
  399    HA   ALA  51           HA       ALA  51  -6.786  -4.219   5.990
  400    HB1  ALA  51           1HB      ALA  51  -7.919  -5.451   3.941
  401    HB2  ALA  51           2HB      ALA  51  -8.665  -5.429   5.540
  402    HB3  ALA  51           3HB      ALA  51  -9.221  -4.313   4.293
  403    H    VAL  52           H        VAL  52  -4.807  -3.723   5.265
  404    HA   VAL  52           HA       VAL  52  -4.501  -2.676   2.542
  405    HB   VAL  52           HB       VAL  52  -2.336  -2.923   4.626
  406   HG11  VAL  52          1HG1      VAL  52  -1.520  -2.628   2.374
  407   HG12  VAL  52          2HG1      VAL  52  -2.607  -1.261   2.123
  408   HG13  VAL  52          3HG1      VAL  52  -1.283  -1.135   3.281
  409   HG21  VAL  52          3HG2      VAL  52  -4.448  -0.850   4.274
  410   HG22  VAL  52          1HG2      VAL  52  -3.746  -1.505   5.752
  411   HG23  VAL  52          2HG2      VAL  52  -2.835  -0.350   4.781
  412    H    ASP  53           H        ASP  53  -3.313  -3.710   0.987
  413    HA   ASP  53           HA       ASP  53  -2.393  -6.432   1.645
  414    HB2  ASP  53           1HB      ASP  53  -4.332  -5.603  -0.249
  415    HB3  ASP  53           2HB      ASP  53  -2.925  -6.148  -1.158
  416    H    CYS  54           H        CYS  54  -1.059  -7.105  -0.600
  417    HA   CYS  54           HA       CYS  54   0.781  -5.021  -1.375
  418    HB2  CYS  54           1HB      CYS  54   1.436  -6.952   0.739
  419    HB3  CYS  54           2HB      CYS  54   2.626  -6.879  -0.554
  420    HG   CYS  54           HG       CYS  54   2.154  -3.812  -0.016
  421    H    ASP  55           H        ASP  55   2.401  -5.813  -2.943
  422    HA   ASP  55           HA       ASP  55   1.171  -7.548  -4.842
  423    HB2  ASP  55           1HB      ASP  55   2.668  -5.558  -5.354
  424    HB3  ASP  55           2HB      ASP  55   4.029  -6.582  -4.903
  Start of MODEL   16
    1    H1   ALA   1           H        ALA   1 -15.932   1.654   1.110
    2    HA   ALA   1           HA       ALA   1 -15.563   2.811  -1.497
    3    HB1  ALA   1           1HB      ALA   1 -15.392   4.507   0.803
    4    HB2  ALA   1           2HB      ALA   1 -13.805   4.371   0.044
    5    HB3  ALA   1           3HB      ALA   1 -15.190   4.914  -0.901
    6    H    LYS   2           H        LYS   2 -13.211   2.878  -2.088
    7    HA   LYS   2           HA       LYS   2 -11.479   1.186  -0.476
    8    HB2  LYS   2           1HB      LYS   2 -12.433   0.448  -3.241
    9    HB3  LYS   2           2HB      LYS   2 -10.964  -0.218  -2.539
   10    HG2  LYS   2           1HG      LYS   2 -12.313  -1.847  -1.818
   11    HG3  LYS   2           2HG      LYS   2 -12.752  -0.694  -0.555
   12    HD2  LYS   2           1HD      LYS   2 -14.679   0.020  -1.806
   13    HD3  LYS   2           2HD      LYS   2 -14.196  -0.961  -3.191
   14    HE2  LYS   2           1HE      LYS   2 -14.594  -2.291  -0.555
   15    HE3  LYS   2           2HE      LYS   2 -16.014  -1.805  -1.481
   16    HZ1  LYS   2           3HZ      LYS   2 -13.958  -3.236  -2.954
   17    HZ2  LYS   2           1HZ      LYS   2 -15.643  -3.367  -3.038
   18    HZ3  LYS   2           2HZ      LYS   2 -14.796  -4.140  -1.794
   19    H    TYR   3           H        TYR   3  -9.287   0.939  -1.639
   20    HA   TYR   3           HA       TYR   3  -8.654   3.244  -3.319
   21    HB2  TYR   3           1HB      TYR   3  -6.988   2.644  -0.881
   22    HB3  TYR   3           2HB      TYR   3  -6.931   4.067  -1.916
   23    HD1  TYR   3           2HD      TYR   3  -9.107   5.514  -1.970
   24    HD2  TYR   3           1HD      TYR   3  -8.171   2.734   1.112
   25    HE1  TYR   3           2HE      TYR   3 -10.651   6.684  -0.455
   26    HE2  TYR   3           1HE      TYR   3  -9.714   3.896   2.636
   27    HH   TYR   3           HH       TYR   3 -10.648   6.373   2.773
   28    H    THR   4           H        THR   4  -6.517   3.101  -4.306
   29    HA   THR   4           HA       THR   4  -5.268   0.460  -4.248
   30    HB   THR   4           HB       THR   4  -6.965   0.398  -6.069
   31    HG1  THR   4           1HG      THR   4  -5.160  -0.900  -6.335
   32   HG21  THR   4          3HG2      THR   4  -6.330   2.961  -6.565
   33   HG22  THR   4          1HG2      THR   4  -7.061   1.900  -7.769
   34   HG23  THR   4          2HG2      THR   4  -5.318   2.169  -7.772
   35    H    GLY   5           H        GLY   5  -3.096   0.480  -4.658
   36    HA2  GLY   5           1HA      GLY   5  -1.813   2.729  -5.922
   37    HA3  GLY   5           2HA      GLY   5  -1.553   2.669  -4.185
   38    H    LYS   6           H        LYS   6   0.722   2.481  -4.846
   39    HA   LYS   6           HA       LYS   6   1.462  -0.330  -5.034
   40    HB2  LYS   6           1HB      LYS   6   2.560   1.765  -6.919
   41    HB3  LYS   6           2HB      LYS   6   3.132   0.106  -6.793
   42    HG2  LYS   6           1HG      LYS   6   1.748  -0.091  -8.587
   43    HG3  LYS   6           2HG      LYS   6   0.605  -0.445  -7.289
   44    HD2  LYS   6           1HD      LYS   6  -0.653   1.149  -8.251
   45    HD3  LYS   6           2HD      LYS   6   0.441   2.272  -7.439
   46    HE2  LYS   6           1HE      LYS   6   1.895   1.997  -9.569
   47    HE3  LYS   6           2HE      LYS   6   0.411   1.388 -10.300
   48    HZ1  LYS   6           3HZ      LYS   6   0.859   3.841 -10.548
   49    HZ2  LYS   6           1HZ      LYS   6   0.529   3.991  -8.895
   50    HZ3  LYS   6           2HZ      LYS   6  -0.668   3.427  -9.950
   51    H    CYS   7           H        CYS   7   3.651  -0.751  -4.369
   52    HA   CYS   7           HA       CYS   7   4.744   1.401  -2.682
   53    HB2  CYS   7           1HB      CYS   7   5.080  -1.578  -2.294
   54    HB3  CYS   7           2HB      CYS   7   5.599  -0.308  -1.194
   55    HG   CYS   7           HG       CYS   7   2.642   0.464  -1.197
   56    H    THR   8           H        THR   8   7.039   1.559  -2.484
   57    HA   THR   8           HA       THR   8   8.421   0.702  -4.925
   58    HB   THR   8           HB       THR   8   8.393   3.134  -4.367
   59    HG1  THR   8           1HG      THR   8  10.107   2.800  -5.599
   60   HG21  THR   8          3HG2      THR   8  10.370   2.525  -2.194
   61   HG22  THR   8          1HG2      THR   8   8.645   2.620  -1.846
   62   HG23  THR   8          2HG2      THR   8   9.489   4.020  -2.507
   63    H    LYS   9           H        LYS   9  10.763   0.169  -4.693
   64    HA   LYS   9           HA       LYS   9  11.100  -1.978  -2.880
   65    HB2  LYS   9           1HB      LYS   9  13.341  -0.596  -4.343
   66    HB3  LYS   9           2HB      LYS   9  13.236  -2.284  -3.859
   67    HG2  LYS   9           1HG      LYS   9  11.238  -2.412  -5.461
   68    HG3  LYS   9           2HG      LYS   9  11.841  -0.885  -6.109
   69    HD2  LYS   9           1HD      LYS   9  12.743  -2.664  -7.433
   70    HD3  LYS   9           2HD      LYS   9  14.051  -1.990  -6.458
   71    HE2  LYS   9           1HE      LYS   9  14.320  -3.890  -5.279
   72    HE3  LYS   9           2HE      LYS   9  12.588  -4.212  -5.211
   73    HZ1  LYS   9           3HZ      LYS   9  13.273  -5.892  -6.565
   74    HZ2  LYS   9           1HZ      LYS   9  14.547  -5.006  -7.237
   75    HZ3  LYS   9           2HZ      LYS   9  12.959  -4.716  -7.739
   76    H    SER  10           H        SER  10  11.868   1.400  -2.733
   77    HA   SER  10           HA       SER  10  13.512   1.003  -0.339
   78    HB2  SER  10           1HB      SER  10  14.025   3.435  -0.584
   79    HB3  SER  10           2HB      SER  10  14.489   2.480  -1.992
   80    HG   SER  10           HG       SER  10  13.041   3.485  -3.160
   81    H    LYS  11           H        LYS  11  10.489   0.791  -0.608
   82    HA   LYS  11           HA       LYS  11   9.799   1.769   1.913
   83    HB2  LYS  11           1HB      LYS  11   9.773   3.789  -0.084
   84    HB3  LYS  11           2HB      LYS  11   8.099   3.429   0.318
   85    HG2  LYS  11           1HG      LYS  11  10.116   3.920   2.473
   86    HG3  LYS  11           2HG      LYS  11   9.331   5.262   1.636
   87    HD2  LYS  11           1HD      LYS  11   7.553   5.033   2.949
   88    HD3  LYS  11           2HD      LYS  11   7.321   3.391   2.348
   89    HE2  LYS  11           1HE      LYS  11   7.495   3.304   4.736
   90    HE3  LYS  11           2HE      LYS  11   8.960   2.603   4.046
   91    HZ1  LYS  11           3HZ      LYS  11   9.559   5.246   4.342
   92    HZ2  LYS  11           1HZ      LYS  11  10.050   3.995   5.371
   93    HZ3  LYS  11           2HZ      LYS  11   8.663   4.892   5.732
   94    H    ASN  12           H        ASN  12   8.426   0.209   2.443
   95    HA   ASN  12           HA       ASN  12   6.612  -0.878   0.432
   96    HB2  ASN  12           1HB      ASN  12   7.951  -2.449   1.783
   97    HB3  ASN  12           2HB      ASN  12   7.191  -1.829   3.246
   98   HD21  ASN  12          2HD2      ASN  12   5.815  -3.257   3.997
   99   HD22  ASN  12          1HD2      ASN  12   4.695  -4.185   3.063
  100    H    GLU  13           H        GLU  13   5.602   1.424   0.708
  101    HA   GLU  13           HA       GLU  13   3.408   1.157   2.652
  102    HB2  GLU  13           1HB      GLU  13   3.440   3.492   3.114
  103    HB3  GLU  13           2HB      GLU  13   5.091   2.917   3.291
  104    HG2  GLU  13           1HG      GLU  13   5.619   3.770   1.056
  105    HG3  GLU  13           2HG      GLU  13   3.970   4.372   0.907
  106    H    CYS  14           H        CYS  14   1.374   1.716   1.950
  107    HA   CYS  14           HA       CYS  14   1.000   1.748  -0.908
  108    HB2  CYS  14           1HB      CYS  14  -0.443   0.454   0.717
  109    HB3  CYS  14           2HB      CYS  14  -1.123   1.994   1.227
  110    HG   CYS  14           HG       CYS  14  -1.273   1.715  -2.059
  111    H    LYS  15           H        LYS  15   1.242   3.590  -1.985
  112    HA   LYS  15           HA       LYS  15   0.633   6.137  -0.718
  113    HB2  LYS  15           1HB      LYS  15   1.557   7.096  -2.839
  114    HB3  LYS  15           2HB      LYS  15   2.683   6.074  -1.955
  115    HG2  LYS  15           1HG      LYS  15   2.824   4.580  -3.613
  116    HG3  LYS  15           2HG      LYS  15   1.095   4.654  -3.962
  117    HD2  LYS  15           1HD      LYS  15   1.844   7.086  -4.833
  118    HD3  LYS  15           2HD      LYS  15   3.337   6.189  -5.122
  119    HE2  LYS  15           1HE      LYS  15   1.198   4.566  -6.004
  120    HE3  LYS  15           2HE      LYS  15   0.913   6.188  -6.634
  121    HZ1  LYS  15           3HZ      LYS  15   3.575   5.760  -7.055
  122    HZ2  LYS  15           1HZ      LYS  15   2.354   5.649  -8.220
  123    HZ3  LYS  15           2HZ      LYS  15   2.876   4.261  -7.408
  124    H    TYR  16           H        TYR  16  -1.703   5.381  -0.665
  125    HA   TYR  16           HA       TYR  16  -3.055   5.860  -3.230
  126    HB2  TYR  16           1HB      TYR  16  -4.942   4.708  -2.353
  127    HB3  TYR  16           2HB      TYR  16  -3.534   3.752  -1.906
  128    HD1  TYR  16           1HD      TYR  16  -2.789   3.650   0.423
  129    HD2  TYR  16           2HD      TYR  16  -6.270   5.832  -0.679
  130    HE1  TYR  16           1HE      TYR  16  -3.480   3.726   2.782
  131    HE2  TYR  16           2HE      TYR  16  -6.971   5.916   1.676
  132    HH   TYR  16           HH       TYR  16  -5.749   5.786   3.966
  133    H    LYS  17           H        LYS  17  -5.373   6.849  -2.781
  134    HA   LYS  17           HA       LYS  17  -4.998   9.222  -1.074
  135    HB2  LYS  17           1HB      LYS  17  -6.003   8.971  -3.880
  136    HB3  LYS  17           2HB      LYS  17  -6.649  10.247  -2.857
  137    HG2  LYS  17           1HG      LYS  17  -4.692  11.405  -2.820
  138    HG3  LYS  17           2HG      LYS  17  -3.702   9.954  -2.996
  139    HD2  LYS  17           1HD      LYS  17  -4.443   9.785  -5.352
  140    HD3  LYS  17           2HD      LYS  17  -5.327  11.299  -5.154
  141    HE2  LYS  17           1HE      LYS  17  -3.479  12.426  -5.647
  142    HE3  LYS  17           2HE      LYS  17  -2.692  11.736  -4.229
  143    HZ1  LYS  17           3HZ      LYS  17  -2.687   9.794  -6.228
  144    HZ2  LYS  17           1HZ      LYS  17  -1.362  10.619  -5.577
  145    HZ3  LYS  17           2HZ      LYS  17  -2.155  11.235  -6.937
  146    H    ASN  18           H        ASN  18  -6.681   9.848   0.201
  147    HA   ASN  18           HA       ASN  18  -9.140   8.231   0.051
  148    HB2  ASN  18           1HB      ASN  18  -9.191   7.931   2.352
  149    HB3  ASN  18           2HB      ASN  18  -7.465   7.828   2.020
  150   HD21  ASN  18          2HD2      ASN  18  -6.367  10.059   2.061
  151   HD22  ASN  18          1HD2      ASN  18  -6.767  11.055   3.415
  152    H    ASP  19           H        ASP  19 -10.976   9.309   1.302
  153    HA   ASP  19           HA       ASP  19 -12.379  11.073   1.661
  154    HB2  ASP  19           1HB      ASP  19 -10.205  12.070   2.673
  155    HB3  ASP  19           2HB      ASP  19 -10.130  13.007   1.183
  156    H    ALA  20           H        ALA  20 -10.029  12.428  -0.652
  157    HA   ALA  20           HA       ALA  20 -11.612  12.033  -2.943
  158    HB1  ALA  20           1HB      ALA  20 -13.172  13.586  -2.040
  159    HB2  ALA  20           2HB      ALA  20 -11.891  14.728  -1.630
  160    HB3  ALA  20           3HB      ALA  20 -12.288  14.418  -3.320
  161    H    GLY  21           H        GLY  21  -8.911  11.739  -2.297
  162    HA2  GLY  21           1HA      GLY  21  -7.196  12.058  -4.017
  163    HA3  GLY  21           2HA      GLY  21  -7.696  13.741  -4.100
  164    H    LYS  22           H        LYS  22  -7.655  12.506  -0.943
  165    HA   LYS  22           HA       LYS  22  -5.440  14.207  -0.241
  166    HB2  LYS  22           1HB      LYS  22  -7.692  13.147   1.088
  167    HB3  LYS  22           2HB      LYS  22  -6.282  12.499   1.916
  168    HG2  LYS  22           1HG      LYS  22  -6.791  15.418   1.382
  169    HG3  LYS  22           2HG      LYS  22  -7.081  14.590   2.914
  170    HD2  LYS  22           1HD      LYS  22  -4.957  14.877   3.499
  171    HD3  LYS  22           2HD      LYS  22  -4.420  14.029   2.047
  172    HE2  LYS  22           1HE      LYS  22  -3.501  16.322   2.246
  173    HE3  LYS  22           2HE      LYS  22  -4.449  16.073   0.781
  174    HZ1  LYS  22           3HZ      LYS  22  -5.748  17.174   3.178
  175    HZ2  LYS  22           1HZ      LYS  22  -6.150  17.388   1.550
  176    HZ3  LYS  22           2HZ      LYS  22  -4.811  18.188   2.202
  177    H    ASP  23           H        ASP  23  -3.412  13.561  -0.505
  178    HA   ASP  23           HA       ASP  23  -2.518  10.999  -1.016
  179    HB2  ASP  23           1HB      ASP  23  -0.968  13.205   0.357
  180    HB3  ASP  23           2HB      ASP  23  -0.275  11.814  -0.472
  181    H    THR  24           H        THR  24  -2.116   9.236   0.161
  182    HA   THR  24           HA       THR  24  -1.846   9.482   3.070
  183    HB   THR  24           HB       THR  24  -3.740   7.561   1.702
  184    HG1  THR  24           1HG      THR  24  -4.137   9.814   3.397
  185   HG21  THR  24          3HG2      THR  24  -2.416   7.471   4.282
  186   HG22  THR  24          1HG2      THR  24  -3.384   6.241   3.470
  187   HG23  THR  24          2HG2      THR  24  -4.172   7.483   4.443
  188    H    PHE  25           H        PHE  25  -0.254   8.263   3.872
  189    HA   PHE  25           HA       PHE  25   0.706   5.981   2.283
  190    HB2  PHE  25           1HB      PHE  25   2.473   7.989   3.696
  191    HB3  PHE  25           2HB      PHE  25   3.016   6.590   2.775
  192    HD1  PHE  25           2HD      PHE  25   1.328   9.864   2.511
  193    HD2  PHE  25           1HD      PHE  25   3.263   6.690   0.439
  194    HE1  PHE  25           2HE      PHE  25   1.392  11.239   0.472
  195    HE2  PHE  25           1HE      PHE  25   3.333   8.061  -1.604
  196    HZ   PHE  25           HZ       PHE  25   2.394  10.338  -1.589
  197    H    ILE  26           H        ILE  26   1.072   4.160   3.405
  198    HA   ILE  26           HA       ILE  26   1.641   4.211   6.235
  199    HB   ILE  26           HB       ILE  26  -0.765   4.376   6.344
  200   HG12  ILE  26          1HG1      ILE  26   0.075   1.520   6.882
  201   HG13  ILE  26          2HG1      ILE  26   0.413   2.880   7.947
  202   HG21  ILE  26          1HG2      ILE  26  -1.560   1.873   5.212
  203   HG22  ILE  26          2HG2      ILE  26  -2.103   3.501   4.807
  204   HG23  ILE  26          3HG2      ILE  26  -0.689   2.817   4.003
  205   HD11  ILE  26          3HD1      ILE  26  -1.522   1.483   8.630
  206   HD12  ILE  26          1HD1      ILE  26  -1.906   3.188   8.398
  207   HD13  ILE  26          2HD1      ILE  26  -2.355   2.008   7.167
  208    H    LYS  27           H        LYS  27   3.125   2.704   6.555
  209    HA   LYS  27           HA       LYS  27   3.906   0.815   4.653
  210    HB2  LYS  27           1HB      LYS  27   4.657   1.546   7.354
  211    HB3  LYS  27           2HB      LYS  27   4.737  -0.196   7.126
  212    HG2  LYS  27           1HG      LYS  27   5.922   1.310   4.930
  213    HG3  LYS  27           2HG      LYS  27   6.703   1.595   6.487
  214    HD2  LYS  27           1HD      LYS  27   6.570  -1.028   6.660
  215    HD3  LYS  27           2HD      LYS  27   6.478  -0.919   4.900
  216    HE2  LYS  27           1HE      LYS  27   8.547   0.452   4.934
  217    HE3  LYS  27           2HE      LYS  27   8.655   0.183   6.673
  218    HZ1  LYS  27           3HZ      LYS  27   9.322  -1.940   6.395
  219    HZ2  LYS  27           1HZ      LYS  27   9.868  -1.358   4.904
  220    HZ3  LYS  27           2HZ      LYS  27   8.397  -2.187   5.001
  221    H    CYS  28           H        CYS  28   3.213  -1.165   4.144
  222    HA   CYS  28           HA       CYS  28   0.881  -2.222   5.470
  223    HB2  CYS  28           1HB      CYS  28   2.467  -3.534   3.262
  224    HB3  CYS  28           2HB      CYS  28   0.783  -3.814   3.690
  225    HG   CYS  28           HG       CYS  28   1.799  -1.994   1.328
  226    HA   PRO  29           HA       PRO  29   2.831  -5.076   8.177
  227    HB2  PRO  29           1HB      PRO  29   0.978  -7.058   8.236
  228    HB3  PRO  29           2HB      PRO  29   0.740  -5.497   9.029
  229    HG2  PRO  29           1HG      PRO  29  -0.289  -6.453   6.387
  230    HG3  PRO  29           2HG      PRO  29  -1.132  -5.539   7.650
  231    HD2  PRO  29           1HD      PRO  29  -0.124  -4.364   5.429
  232    HD3  PRO  29           2HD      PRO  29  -0.202  -3.534   6.995
  233    H    LYS  30           H        LYS  30   4.433  -5.384   6.297
  234    HA   LYS  30           HA       LYS  30   4.487  -8.239   5.663
  235    HB2  LYS  30           1HB      LYS  30   4.864  -6.021   3.647
  236    HB3  LYS  30           2HB      LYS  30   5.305  -7.698   3.354
  237    HG2  LYS  30           1HG      LYS  30   3.242  -7.652   2.392
  238    HG3  LYS  30           2HG      LYS  30   2.802  -8.132   4.034
  239    HD2  LYS  30           1HD      LYS  30   2.596  -5.567   4.435
  240    HD3  LYS  30           2HD      LYS  30   2.474  -5.485   2.676
  241    HE2  LYS  30           1HE      LYS  30   0.775  -7.571   3.582
  242    HE3  LYS  30           2HE      LYS  30   0.461  -6.147   4.572
  243    HZ1  LYS  30           3HZ      LYS  30   0.670  -5.305   1.924
  244    HZ2  LYS  30           1HZ      LYS  30  -0.706  -5.313   2.906
  245    HZ3  LYS  30           2HZ      LYS  30  -0.354  -6.651   1.934
  246    H    PHE  31           H        PHE  31   5.982  -7.861   7.571
  247    HA   PHE  31           HA       PHE  31   8.465  -6.530   7.116
  248    HB2  PHE  31           1HB      PHE  31   7.848  -8.626   9.204
  249    HB3  PHE  31           2HB      PHE  31   9.143  -7.435   9.249
  250    HD1  PHE  31           1HD      PHE  31   5.559  -8.003   9.671
  251    HD2  PHE  31           2HD      PHE  31   8.692  -5.126   9.799
  252    HE1  PHE  31           1HE      PHE  31   4.076  -6.447  10.865
  253    HE2  PHE  31           2HE      PHE  31   7.214  -3.564  10.994
  254    HZ   PHE  31           HZ       PHE  31   4.903  -4.223  11.529
  255    H    ASP  32           H        ASP  32  10.336  -8.348   8.095
  256    HA   ASP  32           HA       ASP  32  11.355  -9.523   5.845
  257    HB2  ASP  32           1HB      ASP  32  11.711 -10.078   8.762
  258    HB3  ASP  32           2HB      ASP  32  12.449 -11.169   7.592
  259    H    ASN  33           H        ASN  33   9.809 -10.588   4.616
  260    HA   ASN  33           HA       ASN  33   9.574 -13.332   4.906
  261    HB2  ASN  33           1HB      ASN  33   8.144 -13.181   6.755
  262    HB3  ASN  33           2HB      ASN  33   7.299 -11.779   6.104
  263   HD21  ASN  33          2HD2      ASN  33   5.300 -12.247   5.586
  264   HD22  ASN  33          1HD2      ASN  33   4.744 -13.722   4.878
  265    H    LYS  34           H        LYS  34   7.541 -10.574   3.932
  266    HA   LYS  34           HA       LYS  34   7.731 -11.426   1.159
  267    HB2  LYS  34           1HB      LYS  34   5.700 -12.540   2.258
  268    HB3  LYS  34           2HB      LYS  34   5.004 -10.928   2.340
  269    HG2  LYS  34           1HG      LYS  34   4.332 -11.066   0.238
  270    HG3  LYS  34           2HG      LYS  34   5.977 -11.405  -0.306
  271    HD2  LYS  34           1HD      LYS  34   4.659 -13.244  -1.002
  272    HD3  LYS  34           2HD      LYS  34   5.576 -13.802   0.399
  273    HE2  LYS  34           1HE      LYS  34   3.699 -13.693   1.806
  274    HE3  LYS  34           2HE      LYS  34   2.796 -12.699   0.664
  275    HZ1  LYS  34           3HZ      LYS  34   2.586 -14.561  -0.804
  276    HZ2  LYS  34           1HZ      LYS  34   2.059 -15.034   0.731
  277    HZ3  LYS  34           2HZ      LYS  34   3.579 -15.520   0.172
  278    H    LYS  35           H        LYS  35   9.005  -9.297   1.947
  279    HA   LYS  35           HA       LYS  35   7.401  -6.908   1.912
  280    HB2  LYS  35           1HB      LYS  35  10.077  -7.595   2.598
  281    HB3  LYS  35           2HB      LYS  35  10.144  -6.339   1.368
  282    HG2  LYS  35           1HG      LYS  35   8.254  -5.319   3.000
  283    HG3  LYS  35           2HG      LYS  35   9.240  -6.209   4.162
  284    HD2  LYS  35           1HD      LYS  35  10.519  -4.402   2.143
  285    HD3  LYS  35           2HD      LYS  35   9.834  -3.744   3.632
  286    HE2  LYS  35           1HE      LYS  35  11.343  -5.942   4.442
  287    HE3  LYS  35           2HE      LYS  35  12.322  -5.154   3.206
  288    HZ1  LYS  35           3HZ      LYS  35  11.462  -4.146   5.818
  289    HZ2  LYS  35           1HZ      LYS  35  11.656  -3.031   4.560
  290    HZ3  LYS  35           2HZ      LYS  35  12.959  -3.996   5.044
  291    H    CYS  36           H        CYS  36   8.193  -5.103   0.340
  292    HA   CYS  36           HA       CYS  36   7.476  -5.918  -2.277
  293    HB2  CYS  36           1HB      CYS  36   7.121  -3.629  -1.204
  294    HB3  CYS  36           2HB      CYS  36   8.812  -3.309  -1.566
  295    HG   CYS  36           HG       CYS  36   7.960  -2.105  -3.708
  296    H    THR  37           H        THR  37   8.707  -5.915  -4.188
  297    HA   THR  37           HA       THR  37  11.609  -5.765  -3.951
  298    HB   THR  37           HB       THR  37  11.879  -7.943  -5.157
  299    HG1  THR  37           1HG      THR  37   9.764  -8.222  -5.924
  300   HG21  THR  37          3HG2      THR  37  12.137  -7.644  -2.662
  301   HG22  THR  37          1HG2      THR  37  11.781  -9.286  -3.197
  302   HG23  THR  37          2HG2      THR  37  10.504  -8.290  -2.498
  303    H    LYS  38           H        LYS  38   9.816  -4.035  -5.248
  304    HA   LYS  38           HA       LYS  38  11.005  -3.749  -7.751
  305    HB2  LYS  38           1HB      LYS  38   8.867  -5.657  -7.731
  306    HB3  LYS  38           2HB      LYS  38   8.373  -4.257  -8.673
  307    HG2  LYS  38           1HG      LYS  38  11.040  -4.930  -9.394
  308    HG3  LYS  38           2HG      LYS  38  10.053  -6.393  -9.443
  309    HD2  LYS  38           1HD      LYS  38   8.474  -5.337 -10.923
  310    HD3  LYS  38           2HD      LYS  38   9.311  -3.789 -10.775
  311    HE2  LYS  38           1HE      LYS  38  10.481  -4.363 -12.579
  312    HE3  LYS  38           2HE      LYS  38  11.281  -5.576 -11.580
  313    HZ1  LYS  38           3HZ      LYS  38   9.049  -5.912 -13.471
  314    HZ2  LYS  38           1HZ      LYS  38   9.238  -7.003 -12.190
  315    HZ3  LYS  38           2HZ      LYS  38  10.474  -6.813 -13.328
  316    H    ASP  39           H        ASP  39  10.885  -1.642  -8.118
  317    HA   ASP  39           HA       ASP  39   9.410   0.167  -6.653
  318    HB2  ASP  39           1HB      ASP  39   9.780   1.688  -8.744
  319    HB3  ASP  39           2HB      ASP  39  11.173   1.120  -7.828
  320    H    ASN  40           H        ASN  40   7.286   0.371  -6.476
  321    HA   ASN  40           HA       ASN  40   5.075   0.535  -6.984
  322    HB2  ASN  40           1HB      ASN  40   6.448   1.454  -9.428
  323    HB3  ASN  40           2HB      ASN  40   4.784   0.928  -9.667
  324   HD21  ASN  40          2HD2      ASN  40   6.820   3.054  -7.728
  325   HD22  ASN  40          1HD2      ASN  40   5.608   4.250  -7.441
  326    H    ASN  41           H        ASN  41   5.073  -1.789  -6.455
  327    HA   ASN  41           HA       ASN  41   4.896  -3.625  -8.699
  328    HB2  ASN  41           1HB      ASN  41   5.323  -3.842  -5.826
  329    HB3  ASN  41           2HB      ASN  41   4.145  -5.015  -6.411
  330   HD21  ASN  41          2HD2      ASN  41   6.525  -5.838  -5.369
  331   HD22  ASN  41          1HD2      ASN  41   7.515  -6.501  -6.620
  332    H    LYS  42           H        LYS  42   2.810  -3.499  -5.840
  333    HA   LYS  42           HA       LYS  42   0.469  -2.621  -7.084
  334    HB2  LYS  42           1HB      LYS  42   0.487  -4.559  -8.464
  335    HB3  LYS  42           2HB      LYS  42   0.880  -5.608  -7.107
  336    HG2  LYS  42           1HG      LYS  42  -1.276  -5.576  -6.285
  337    HG3  LYS  42           2HG      LYS  42  -1.675  -4.063  -7.102
  338    HD2  LYS  42           1HD      LYS  42  -1.045  -5.805  -9.166
  339    HD3  LYS  42           2HD      LYS  42  -1.948  -6.802  -8.023
  340    HE2  LYS  42           1HE      LYS  42  -3.712  -5.042  -7.991
  341    HE3  LYS  42           2HE      LYS  42  -2.831  -4.200  -9.265
  342    HZ1  LYS  42           3HZ      LYS  42  -3.577  -7.018  -9.644
  343    HZ2  LYS  42           1HZ      LYS  42  -3.331  -5.809 -10.802
  344    HZ3  LYS  42           2HZ      LYS  42  -4.744  -5.815  -9.871
  345    H    CYS  43           H        CYS  43  -0.940  -2.101  -5.528
  346    HA   CYS  43           HA       CYS  43  -0.942  -3.629  -3.029
  347    HB2  CYS  43           1HB      CYS  43   0.404  -1.260  -3.181
  348    HB3  CYS  43           2HB      CYS  43  -1.188  -0.716  -2.667
  349    HG   CYS  43           HG       CYS  43  -1.251  -2.113  -0.320
  350    H    THR  44           H        THR  44  -2.762  -2.519  -1.552
  351    HA   THR  44           HA       THR  44  -5.004  -1.393  -2.857
  352    HB   THR  44           HB       THR  44  -6.182  -3.835  -2.100
  353    HG1  THR  44           1HG      THR  44  -4.934  -5.083  -3.850
  354   HG21  THR  44          3HG2      THR  44  -5.645  -3.220  -4.964
  355   HG22  THR  44          1HG2      THR  44  -6.580  -2.061  -4.020
  356   HG23  THR  44          2HG2      THR  44  -7.142  -3.724  -4.180
  357    H    VAL  45           H        VAL  45  -6.690  -0.896  -1.426
  358    HA   VAL  45           HA       VAL  45  -6.518  -1.835   1.322
  359    HB   VAL  45           HB       VAL  45  -6.279   1.094   0.623
  360   HG11  VAL  45          1HG1      VAL  45  -5.991   1.145   3.233
  361   HG12  VAL  45          2HG1      VAL  45  -7.595   1.185   2.500
  362   HG13  VAL  45          3HG1      VAL  45  -6.961  -0.326   3.152
  363   HG21  VAL  45          3HG2      VAL  45  -4.174  -0.122   0.427
  364   HG22  VAL  45          1HG2      VAL  45  -4.145   0.966   1.815
  365   HG23  VAL  45          2HG2      VAL  45  -4.382  -0.765   2.056
  366    H    ASP  46           H        ASP  46  -8.456  -1.842   2.356
  367    HA   ASP  46           HA       ASP  46 -10.744  -0.721   0.873
  368    HB2  ASP  46           1HB      ASP  46 -10.463  -3.299   1.191
  369    HB3  ASP  46           2HB      ASP  46 -11.020  -2.977   2.831
  370    H    THR  47           H        THR  47 -12.377   0.318   2.013
  371    HA   THR  47           HA       THR  47 -11.526   1.551   4.481
  372    HB   THR  47           HB       THR  47 -13.501   2.943   4.289
  373    HG1  THR  47           1HG      THR  47 -15.204   2.162   3.321
  374   HG21  THR  47          3HG2      THR  47 -13.067   3.259   1.540
  375   HG22  THR  47          1HG2      THR  47 -11.545   2.648   2.191
  376   HG23  THR  47          2HG2      THR  47 -12.261   4.117   2.854
  377    H    TYR  48           H        TYR  48 -13.317  -1.187   3.629
  378    HA   TYR  48           HA       TYR  48 -15.347  -1.339   5.488
  379    HB2  TYR  48           1HB      TYR  48 -15.212  -3.063   3.875
  380    HB3  TYR  48           2HB      TYR  48 -13.559  -3.465   4.323
  381    HD1  TYR  48           1HD      TYR  48 -16.480  -2.963   6.568
  382    HD2  TYR  48           2HD      TYR  48 -13.707  -5.729   4.905
  383    HE1  TYR  48           1HE      TYR  48 -17.320  -4.709   8.084
  384    HE2  TYR  48           2HE      TYR  48 -14.540  -7.482   6.415
  385    HH   TYR  48           HH       TYR  48 -17.201  -7.618   7.784
  386    H    ASN  49           H        ASN  49 -12.012  -2.537   5.903
  387    HA   ASN  49           HA       ASN  49 -12.098  -1.828   8.714
  388    HB2  ASN  49           1HB      ASN  49 -12.930  -4.323   8.167
  389    HB3  ASN  49           2HB      ASN  49 -11.195  -4.614   8.223
  390   HD21  ASN  49          2HD2      ASN  49 -10.477  -5.211  10.123
  391   HD22  ASN  49          1HD2      ASN  49 -11.141  -4.768  11.655
  392    H    ASN  50           H        ASN  50 -10.600  -0.799   6.570
  393    HA   ASN  50           HA       ASN  50  -8.475  -0.308   5.904
  394    HB2  ASN  50           1HB      ASN  50  -8.602   0.002   8.589
  395    HB3  ASN  50           2HB      ASN  50  -7.296  -1.175   8.478
  396   HD21  ASN  50          2HD2      ASN  50  -6.092  -0.411   6.133
  397   HD22  ASN  50          1HD2      ASN  50  -5.398   1.159   6.328
  398    H    ALA  51           H        ALA  51  -9.212  -2.782   5.031
  399    HA   ALA  51           HA       ALA  51  -7.174  -4.722   5.700
  400    HB1  ALA  51           1HB      ALA  51  -8.294  -6.098   3.948
  401    HB2  ALA  51           2HB      ALA  51  -9.364  -5.570   5.249
  402    HB3  ALA  51           3HB      ALA  51  -9.412  -4.759   3.683
  403    H    VAL  52           H        VAL  52  -5.180  -4.372   4.955
  404    HA   VAL  52           HA       VAL  52  -4.822  -3.224   2.281
  405    HB   VAL  52           HB       VAL  52  -2.691  -3.730   4.356
  406   HG11  VAL  52          1HG1      VAL  52  -1.695  -1.751   2.947
  407   HG12  VAL  52          2HG1      VAL  52  -1.548  -3.419   2.388
  408   HG13  VAL  52          3HG1      VAL  52  -2.790  -2.365   1.709
  409   HG21  VAL  52          3HG2      VAL  52  -2.952  -1.110   4.516
  410   HG22  VAL  52          1HG2      VAL  52  -4.605  -1.476   4.021
  411   HG23  VAL  52          2HG2      VAL  52  -3.948  -2.188   5.494
  412    H    ASP  53           H        ASP  53  -3.441  -4.191   0.748
  413    HA   ASP  53           HA       ASP  53  -2.801  -7.023   1.235
  414    HB2  ASP  53           1HB      ASP  53  -4.415  -5.806  -0.942
  415    HB3  ASP  53           2HB      ASP  53  -3.308  -7.098  -1.399
  416    H    CYS  54           H        CYS  54  -1.355  -7.829  -0.690
  417    HA   CYS  54           HA       CYS  54   0.572  -5.754  -1.448
  418    HB2  CYS  54           1HB      CYS  54   2.451  -7.023  -0.706
  419    HB3  CYS  54           2HB      CYS  54   1.324  -6.950   0.644
  420    HG   CYS  54           HG       CYS  54   0.315  -9.605  -0.531
  421    H    ASP  55           H        ASP  55   1.950  -6.343  -3.231
  422    HA   ASP  55           HA       ASP  55   0.577  -7.657  -5.305
  423    HB2  ASP  55           1HB      ASP  55   2.254  -5.882  -5.682
  424    HB3  ASP  55           2HB      ASP  55   3.521  -6.979  -5.140
  Start of MODEL   17
    1    H1   ALA   1           H        ALA   1 -14.403   1.530   2.846
    2    HA   ALA   1           HA       ALA   1 -14.719   0.537   0.136
    3    HB1  ALA   1           1HB      ALA   1 -14.743   3.079   1.338
    4    HB2  ALA   1           2HB      ALA   1 -13.355   3.050   0.250
    5    HB3  ALA   1           3HB      ALA   1 -14.965   2.684  -0.367
    6    H    LYS   2           H        LYS   2 -12.933   0.722  -1.424
    7    HA   LYS   2           HA       LYS   2 -10.352   0.045  -0.173
    8    HB2  LYS   2           1HB      LYS   2 -11.545  -0.938  -2.770
    9    HB3  LYS   2           2HB      LYS   2  -9.903  -1.280  -2.242
   10    HG2  LYS   2           1HG      LYS   2 -11.242  -2.130  -0.085
   11    HG3  LYS   2           2HG      LYS   2 -12.466  -2.412  -1.325
   12    HD2  LYS   2           1HD      LYS   2 -10.712  -3.632  -2.642
   13    HD3  LYS   2           2HD      LYS   2  -9.657  -3.502  -1.232
   14    HE2  LYS   2           1HE      LYS   2 -10.657  -5.630  -1.083
   15    HE3  LYS   2           2HE      LYS   2 -11.514  -4.622   0.082
   16    HZ1  LYS   2           3HZ      LYS   2 -12.620  -4.769  -2.613
   17    HZ2  LYS   2           1HZ      LYS   2 -13.412  -4.682  -1.121
   18    HZ3  LYS   2           2HZ      LYS   2 -12.766  -6.153  -1.651
   19    H    TYR   3           H        TYR   3  -8.453   0.448  -1.664
   20    HA   TYR   3           HA       TYR   3  -8.840   2.735  -3.443
   21    HB2  TYR   3           1HB      TYR   3  -7.022   2.718  -1.032
   22    HB3  TYR   3           2HB      TYR   3  -6.861   3.872  -2.351
   23    HD1  TYR   3           2HD      TYR   3  -8.657   5.531  -2.765
   24    HD2  TYR   3           1HD      TYR   3  -8.737   2.947   0.614
   25    HE1  TYR   3           2HE      TYR   3 -10.323   6.990  -1.696
   26    HE2  TYR   3           1HE      TYR   3 -10.404   4.398   1.692
   27    HH   TYR   3           HH       TYR   3 -11.345   7.477   0.284
   28    H    THR   4           H        THR   4  -7.681   2.536  -5.243
   29    HA   THR   4           HA       THR   4  -5.860   0.317  -5.528
   30    HB   THR   4           HB       THR   4  -7.455   0.943  -7.329
   31    HG1  THR   4           1HG      THR   4  -6.014  -0.035  -8.517
   32   HG21  THR   4          3HG2      THR   4  -7.225   3.406  -7.046
   33   HG22  THR   4          1HG2      THR   4  -7.048   2.871  -8.718
   34   HG23  THR   4          2HG2      THR   4  -5.621   3.299  -7.773
   35    H    GLY   5           H        GLY   5  -3.683   0.370  -5.622
   36    HA2  GLY   5           1HA      GLY   5  -2.178   2.711  -6.231
   37    HA3  GLY   5           2HA      GLY   5  -2.206   2.420  -4.498
   38    H    LYS   6           H        LYS   6   0.181   2.300  -5.022
   39    HA   LYS   6           HA       LYS   6   0.901  -0.507  -5.212
   40    HB2  LYS   6           1HB      LYS   6   1.980   1.585  -7.106
   41    HB3  LYS   6           2HB      LYS   6   2.739   0.019  -6.853
   42    HG2  LYS   6           1HG      LYS   6   1.496  -0.488  -8.673
   43    HG3  LYS   6           2HG      LYS   6   0.291  -0.829  -7.431
   44    HD2  LYS   6           1HD      LYS   6  -1.049   0.618  -8.468
   45    HD3  LYS   6           2HD      LYS   6   0.042   1.899  -7.933
   46    HE2  LYS   6           1HE      LYS   6   1.219   1.891  -9.966
   47    HE3  LYS   6           2HE      LYS   6   0.541   0.337 -10.450
   48    HZ1  LYS   6           3HZ      LYS   6  -1.262   2.617 -10.024
   49    HZ2  LYS   6           1HZ      LYS   6  -1.440   1.285 -11.052
   50    HZ3  LYS   6           2HZ      LYS   6  -0.372   2.532 -11.460
   51    H    CYS   7           H        CYS   7   3.319  -0.772  -4.794
   52    HA   CYS   7           HA       CYS   7   4.187   1.256  -2.841
   53    HB2  CYS   7           1HB      CYS   7   4.272  -1.740  -2.743
   54    HB3  CYS   7           2HB      CYS   7   5.453  -0.798  -1.841
   55    HG   CYS   7           HG       CYS   7   3.650  -1.387   0.070
   56    H    THR   8           H        THR   8   6.595   1.182  -2.430
   57    HA   THR   8           HA       THR   8   8.025   0.724  -4.969
   58    HB   THR   8           HB       THR   8   9.324   2.659  -4.654
   59    HG1  THR   8           1HG      THR   8   9.453   3.750  -2.710
   60   HG21  THR   8          3HG2      THR   8   6.642   3.526  -3.593
   61   HG22  THR   8          1HG2      THR   8   6.892   3.033  -5.268
   62   HG23  THR   8          2HG2      THR   8   7.751   4.432  -4.623
   63    H    LYS   9           H        LYS   9  10.131  -0.066  -4.873
   64    HA   LYS   9           HA       LYS   9  10.706  -1.937  -2.891
   65    HB2  LYS   9           1HB      LYS   9  13.065  -1.840  -3.869
   66    HB3  LYS   9           2HB      LYS   9  11.758  -2.251  -4.971
   67    HG2  LYS   9           1HG      LYS   9  11.971  -0.337  -6.162
   68    HG3  LYS   9           2HG      LYS   9  12.478   0.610  -4.761
   69    HD2  LYS   9           1HD      LYS   9  14.419   0.503  -6.022
   70    HD3  LYS   9           2HD      LYS   9  14.633  -0.830  -4.885
   71    HE2  LYS   9           1HE      LYS   9  13.263  -1.965  -7.010
   72    HE3  LYS   9           2HE      LYS   9  14.408  -0.868  -7.778
   73    HZ1  LYS   9           3HZ      LYS   9  15.235  -3.179  -7.362
   74    HZ2  LYS   9           1HZ      LYS   9  15.202  -2.831  -5.706
   75    HZ3  LYS   9           2HZ      LYS   9  16.211  -1.949  -6.735
   76    H    SER  10           H        SER  10  11.341   1.460  -3.021
   77    HA   SER  10           HA       SER  10  13.123   1.285  -0.695
   78    HB2  SER  10           1HB      SER  10  13.351   3.831  -1.222
   79    HB3  SER  10           2HB      SER  10  14.166   2.663  -2.262
   80    HG   SER  10           HG       SER  10  12.770   4.441  -3.219
   81    H    LYS  11           H        LYS  11  10.062   1.088  -0.888
   82    HA   LYS  11           HA       LYS  11   9.460   2.227   1.591
   83    HB2  LYS  11           1HB      LYS  11   9.332   4.086  -0.596
   84    HB3  LYS  11           2HB      LYS  11   7.716   3.829   0.049
   85    HG2  LYS  11           1HG      LYS  11  10.128   4.639   1.659
   86    HG3  LYS  11           2HG      LYS  11   8.845   5.720   1.112
   87    HD2  LYS  11           1HD      LYS  11   7.227   4.604   2.468
   88    HD3  LYS  11           2HD      LYS  11   8.365   3.314   2.861
   89    HE2  LYS  11           1HE      LYS  11   8.638   4.537   4.744
   90    HE3  LYS  11           2HE      LYS  11   9.775   5.420   3.727
   91    HZ1  LYS  11           3HZ      LYS  11   8.496   7.230   3.757
   92    HZ2  LYS  11           1HZ      LYS  11   7.697   6.515   5.066
   93    HZ3  LYS  11           2HZ      LYS  11   7.067   6.359   3.504
   94    H    ASN  12           H        ASN  12   8.404   0.323   1.976
   95    HA   ASN  12           HA       ASN  12   6.400  -0.684   0.170
   96    HB2  ASN  12           1HB      ASN  12   7.778  -2.235   1.472
   97    HB3  ASN  12           2HB      ASN  12   7.149  -1.555   2.970
   98   HD21  ASN  12          2HD2      ASN  12   6.174  -3.344   3.755
   99   HD22  ASN  12          1HD2      ASN  12   4.834  -4.128   2.995
  100    H    GLU  13           H        GLU  13   5.334   1.571   0.387
  101    HA   GLU  13           HA       GLU  13   3.167   1.293   2.345
  102    HB2  GLU  13           1HB      GLU  13   3.262   3.560   3.018
  103    HB3  GLU  13           2HB      GLU  13   4.912   2.962   3.117
  104    HG2  GLU  13           1HG      GLU  13   5.442   4.019   0.994
  105    HG3  GLU  13           2HG      GLU  13   3.781   4.590   0.853
  106    H    CYS  14           H        CYS  14   1.185   1.678   1.541
  107    HA   CYS  14           HA       CYS  14   0.880   2.028  -1.275
  108    HB2  CYS  14           1HB      CYS  14  -0.616   0.748   0.482
  109    HB3  CYS  14           2HB      CYS  14  -1.425   2.306   0.609
  110    HG   CYS  14           HG       CYS  14  -1.611   2.248  -2.387
  111    H    LYS  15           H        LYS  15   1.555   4.013  -1.957
  112    HA   LYS  15           HA       LYS  15   0.733   6.428  -0.611
  113    HB2  LYS  15           1HB      LYS  15   2.000   6.288  -3.337
  114    HB3  LYS  15           2HB      LYS  15   2.095   7.585  -2.154
  115    HG2  LYS  15           1HG      LYS  15   3.274   5.774  -0.691
  116    HG3  LYS  15           2HG      LYS  15   3.561   4.993  -2.247
  117    HD2  LYS  15           1HD      LYS  15   4.173   7.768  -2.487
  118    HD3  LYS  15           2HD      LYS  15   4.994   7.129  -1.061
  119    HE2  LYS  15           1HE      LYS  15   6.362   5.808  -2.280
  120    HE3  LYS  15           2HE      LYS  15   5.116   5.440  -3.472
  121    HZ1  LYS  15           3HZ      LYS  15   7.226   7.234  -3.713
  122    HZ2  LYS  15           1HZ      LYS  15   5.811   8.160  -3.660
  123    HZ3  LYS  15           2HZ      LYS  15   5.983   6.945  -4.823
  124    H    TYR  16           H        TYR  16  -1.597   5.500  -0.990
  125    HA   TYR  16           HA       TYR  16  -2.641   6.297  -3.603
  126    HB2  TYR  16           1HB      TYR  16  -4.615   5.098  -3.056
  127    HB3  TYR  16           2HB      TYR  16  -3.277   4.098  -2.500
  128    HD1  TYR  16           1HD      TYR  16  -2.813   3.870  -0.096
  129    HD2  TYR  16           2HD      TYR  16  -6.169   6.075  -1.505
  130    HE1  TYR  16           1HE      TYR  16  -3.802   3.791   2.155
  131    HE2  TYR  16           2HE      TYR  16  -7.166   6.003   0.742
  132    HH   TYR  16           HH       TYR  16  -6.640   5.631   2.980
  133    H    LYS  17           H        LYS  17  -5.012   7.259  -3.320
  134    HA   LYS  17           HA       LYS  17  -4.811   9.501  -1.418
  135    HB2  LYS  17           1HB      LYS  17  -6.119  10.805  -3.167
  136    HB3  LYS  17           2HB      LYS  17  -4.438  10.458  -3.547
  137    HG2  LYS  17           1HG      LYS  17  -5.217   8.517  -4.902
  138    HG3  LYS  17           2HG      LYS  17  -6.873   9.060  -4.627
  139    HD2  LYS  17           1HD      LYS  17  -6.479  10.112  -6.609
  140    HD3  LYS  17           2HD      LYS  17  -5.859  11.351  -5.515
  141    HE2  LYS  17           1HE      LYS  17  -3.645  10.815  -5.964
  142    HE3  LYS  17           2HE      LYS  17  -4.051   9.206  -6.557
  143    HZ1  LYS  17           3HZ      LYS  17  -5.037  11.561  -8.010
  144    HZ2  LYS  17           1HZ      LYS  17  -4.677  10.013  -8.592
  145    HZ3  LYS  17           2HZ      LYS  17  -3.426  11.087  -8.212
  146    H    ASN  18           H        ASN  18  -6.614  10.049  -0.278
  147    HA   ASN  18           HA       ASN  18  -9.063   8.505  -0.817
  148    HB2  ASN  18           1HB      ASN  18  -9.292   7.859   1.376
  149    HB3  ASN  18           2HB      ASN  18  -7.535   7.894   1.266
  150   HD21  ASN  18          2HD2      ASN  18  -6.739  10.321   1.592
  151   HD22  ASN  18          1HD2      ASN  18  -7.325  11.040   3.050
  152    H    ASP  19           H        ASP  19 -10.995   9.484   0.345
  153    HA   ASP  19           HA       ASP  19 -12.394  11.233   0.777
  154    HB2  ASP  19           1HB      ASP  19 -10.330  12.017   2.143
  155    HB3  ASP  19           2HB      ASP  19 -10.065  13.133   0.807
  156    H    ALA  20           H        ALA  20  -9.774  12.802  -1.063
  157    HA   ALA  20           HA       ALA  20 -11.042  12.743  -3.559
  158    HB1  ALA  20           1HB      ALA  20 -11.609  15.193  -1.910
  159    HB2  ALA  20           2HB      ALA  20 -11.704  15.180  -3.671
  160    HB3  ALA  20           3HB      ALA  20 -12.759  14.133  -2.724
  161    H    GLY  21           H        GLY  21  -8.527  12.241  -3.097
  162    HA2  GLY  21           1HA      GLY  21  -6.567  12.833  -4.273
  163    HA3  GLY  21           2HA      GLY  21  -7.134  14.495  -4.336
  164    H    LYS  22           H        LYS  22  -7.337  12.883  -1.307
  165    HA   LYS  22           HA       LYS  22  -5.467  14.739  -0.143
  166    HB2  LYS  22           1HB      LYS  22  -7.691  13.369   0.777
  167    HB3  LYS  22           2HB      LYS  22  -6.355  12.561   1.586
  168    HG2  LYS  22           1HG      LYS  22  -6.489  15.540   1.596
  169    HG3  LYS  22           2HG      LYS  22  -7.518  14.611   2.691
  170    HD2  LYS  22           1HD      LYS  22  -5.049  13.418   2.978
  171    HD3  LYS  22           2HD      LYS  22  -4.653  15.129   2.804
  172    HE2  LYS  22           1HE      LYS  22  -6.820  15.119   4.524
  173    HE3  LYS  22           2HE      LYS  22  -5.880  13.715   5.026
  174    HZ1  LYS  22           3HZ      LYS  22  -4.685  16.400   4.643
  175    HZ2  LYS  22           1HZ      LYS  22  -3.993  15.056   5.403
  176    HZ3  LYS  22           2HZ      LYS  22  -5.287  15.864   6.131
  177    H    ASP  23           H        ASP  23  -3.652  14.106   1.183
  178    HA   ASP  23           HA       ASP  23  -2.160  11.926  -0.037
  179    HB2  ASP  23           1HB      ASP  23  -1.147  13.799   2.095
  180    HB3  ASP  23           2HB      ASP  23  -0.216  12.898   0.902
  181    H    THR  24           H        THR  24  -2.373   9.961   0.792
  182    HA   THR  24           HA       THR  24  -2.270   9.647   3.709
  183    HB   THR  24           HB       THR  24  -4.246   8.235   1.906
  184    HG1  THR  24           1HG      THR  24  -4.608  10.089   4.045
  185   HG21  THR  24          3HG2      THR  24  -5.077   7.352   4.155
  186   HG22  THR  24          1HG2      THR  24  -3.511   7.847   4.798
  187   HG23  THR  24          2HG2      THR  24  -3.596   6.641   3.514
  188    H    PHE  25           H        PHE  25  -0.746   8.252   4.287
  189    HA   PHE  25           HA       PHE  25   0.039   6.152   2.377
  190    HB2  PHE  25           1HB      PHE  25   1.908   7.649   4.226
  191    HB3  PHE  25           2HB      PHE  25   2.358   6.419   3.049
  192    HD1  PHE  25           2HD      PHE  25   0.967   9.829   3.401
  193    HD2  PHE  25           1HD      PHE  25   2.794   6.982   0.817
  194    HE1  PHE  25           2HE      PHE  25   1.277  11.578   1.700
  195    HE2  PHE  25           1HE      PHE  25   3.109   8.728  -0.889
  196    HZ   PHE  25           HZ       PHE  25   2.349  11.029  -0.449
  197    H    ILE  26           H        ILE  26   0.656   4.160   3.241
  198    HA   ILE  26           HA       ILE  26   0.690   3.731   6.089
  199    HB   ILE  26           HB       ILE  26  -1.694   3.718   5.813
  200   HG12  ILE  26          1HG1      ILE  26  -2.226   1.433   6.528
  201   HG13  ILE  26          2HG1      ILE  26  -0.677   0.868   5.912
  202   HG21  ILE  26          1HG2      ILE  26  -1.080   2.618   3.265
  203   HG22  ILE  26          2HG2      ILE  26  -2.161   1.508   4.105
  204   HG23  ILE  26          3HG2      ILE  26  -2.632   3.191   3.873
  205   HD11  ILE  26          3HD1      ILE  26  -1.077   2.818   8.169
  206   HD12  ILE  26          1HD1      ILE  26  -0.628   1.119   8.323
  207   HD13  ILE  26          2HD1      ILE  26   0.477   2.258   7.552
  208    H    LYS  27           H        LYS  27   2.358   2.410   6.318
  209    HA   LYS  27           HA       LYS  27   3.419   0.807   4.254
  210    HB2  LYS  27           1HB      LYS  27   4.695   1.699   6.216
  211    HB3  LYS  27           2HB      LYS  27   3.889   0.504   7.224
  212    HG2  LYS  27           1HG      LYS  27   4.852  -1.150   5.398
  213    HG3  LYS  27           2HG      LYS  27   6.025   0.154   5.196
  214    HD2  LYS  27           1HD      LYS  27   5.344  -0.966   7.900
  215    HD3  LYS  27           2HD      LYS  27   6.584  -1.693   6.877
  216    HE2  LYS  27           1HE      LYS  27   6.781   1.222   7.204
  217    HE3  LYS  27           2HE      LYS  27   7.036   0.287   8.676
  218    HZ1  LYS  27           3HZ      LYS  27   8.438  -0.886   6.519
  219    HZ2  LYS  27           1HZ      LYS  27   9.045  -0.278   7.977
  220    HZ3  LYS  27           2HZ      LYS  27   8.855   0.748   6.645
  221    H    CYS  28           H        CYS  28   2.468  -0.928   3.423
  222    HA   CYS  28           HA       CYS  28   0.374  -2.371   4.491
  223    HB2  CYS  28           1HB      CYS  28   2.506  -3.464   2.646
  224    HB3  CYS  28           2HB      CYS  28   0.873  -4.087   2.841
  225    HG   CYS  28           HG       CYS  28   1.598  -0.982   1.597
  226    HA   PRO  29           HA       PRO  29   1.992  -4.963   7.641
  227    HB2  PRO  29           1HB      PRO  29   0.395  -7.143   7.384
  228    HB3  PRO  29           2HB      PRO  29  -0.175  -5.608   8.049
  229    HG2  PRO  29           1HG      PRO  29  -0.506  -6.714   5.287
  230    HG3  PRO  29           2HG      PRO  29  -1.693  -5.884   6.309
  231    HD2  PRO  29           1HD      PRO  29  -0.368  -4.634   4.306
  232    HD3  PRO  29           2HD      PRO  29  -0.867  -3.795   5.789
  233    H    LYS  30           H        LYS  30   4.008  -5.142   6.249
  234    HA   LYS  30           HA       LYS  30   4.493  -7.972   5.717
  235    HB2  LYS  30           1HB      LYS  30   5.343  -5.840   3.755
  236    HB3  LYS  30           2HB      LYS  30   5.531  -7.580   3.584
  237    HG2  LYS  30           1HG      LYS  30   2.857  -6.216   3.753
  238    HG3  LYS  30           2HG      LYS  30   3.689  -6.555   2.233
  239    HD2  LYS  30           1HD      LYS  30   3.396  -8.828   2.423
  240    HD3  LYS  30           2HD      LYS  30   3.295  -8.774   4.184
  241    HE2  LYS  30           1HE      LYS  30   1.078  -8.760   4.060
  242    HE3  LYS  30           2HE      LYS  30   1.135  -7.261   3.136
  243    HZ1  LYS  30           3HZ      LYS  30   0.604  -8.335   1.282
  244    HZ2  LYS  30           1HZ      LYS  30   0.250  -9.686   2.237
  245    HZ3  LYS  30           2HZ      LYS  30   1.778  -9.529   1.528
  246    H    PHE  31           H        PHE  31   5.477  -7.378   7.892
  247    HA   PHE  31           HA       PHE  31   8.058  -6.027   7.642
  248    HB2  PHE  31           1HB      PHE  31   8.024  -6.538  10.222
  249    HB3  PHE  31           2HB      PHE  31   7.055  -5.225   9.563
  250    HD1  PHE  31           2HD      PHE  31   6.993  -8.567  11.033
  251    HD2  PHE  31           1HD      PHE  31   4.648  -5.387   9.451
  252    HE1  PHE  31           2HE      PHE  31   4.973  -9.575  12.011
  253    HE2  PHE  31           1HE      PHE  31   2.624  -6.390  10.427
  254    HZ   PHE  31           HZ       PHE  31   2.785  -8.488  11.708
  255    H    ASP  32           H        ASP  32   9.210  -7.597   6.491
  256    HA   ASP  32           HA       ASP  32  10.632  -9.360   6.265
  257    HB2  ASP  32           1HB      ASP  32  11.183  -8.539   8.682
  258    HB3  ASP  32           2HB      ASP  32  10.341 -10.003   9.181
  259    H    ASN  33           H        ASN  33   8.589 -10.184   5.172
  260    HA   ASN  33           HA       ASN  33   8.193 -12.906   5.975
  261    HB2  ASN  33           1HB      ASN  33   6.486 -11.238   7.225
  262    HB3  ASN  33           2HB      ASN  33   5.590 -11.503   5.732
  263   HD21  ASN  33          2HD2      ASN  33   4.001 -12.818   6.342
  264   HD22  ASN  33          1HD2      ASN  33   4.217 -14.349   7.112
  265    H    LYS  34           H        LYS  34   6.838 -10.278   3.995
  266    HA   LYS  34           HA       LYS  34   7.542 -11.448   1.543
  267    HB2  LYS  34           1HB      LYS  34   5.542 -12.901   2.534
  268    HB3  LYS  34           2HB      LYS  34   4.580 -11.610   1.825
  269    HG2  LYS  34           1HG      LYS  34   6.446 -12.336  -0.133
  270    HG3  LYS  34           2HG      LYS  34   5.842 -13.846   0.554
  271    HD2  LYS  34           1HD      LYS  34   3.906 -11.688  -0.153
  272    HD3  LYS  34           2HD      LYS  34   4.590 -12.686  -1.438
  273    HE2  LYS  34           1HE      LYS  34   3.457 -14.531  -0.785
  274    HE3  LYS  34           2HE      LYS  34   3.585 -14.134   0.927
  275    HZ1  LYS  34           3HZ      LYS  34   1.328 -13.930   0.404
  276    HZ2  LYS  34           1HZ      LYS  34   1.632 -13.108  -1.043
  277    HZ3  LYS  34           2HZ      LYS  34   1.895 -12.336   0.439
  278    H    LYS  35           H        LYS  35   7.964  -8.977   2.273
  279    HA   LYS  35           HA       LYS  35   5.824  -7.188   1.558
  280    HB2  LYS  35           1HB      LYS  35   7.633  -5.437   1.770
  281    HB3  LYS  35           2HB      LYS  35   7.330  -6.393   3.216
  282    HG2  LYS  35           1HG      LYS  35   9.398  -7.228   3.236
  283    HG3  LYS  35           2HG      LYS  35   9.396  -7.521   1.495
  284    HD2  LYS  35           1HD      LYS  35  10.562  -5.661   1.103
  285    HD3  LYS  35           2HD      LYS  35   9.470  -4.691   2.095
  286    HE2  LYS  35           1HE      LYS  35  10.694  -5.714   4.101
  287    HE3  LYS  35           2HE      LYS  35  11.917  -6.217   2.934
  288    HZ1  LYS  35           3HZ      LYS  35  12.714  -4.156   2.796
  289    HZ2  LYS  35           1HZ      LYS  35  11.822  -3.814   4.192
  290    HZ3  LYS  35           2HZ      LYS  35  11.179  -3.457   2.669
  291    H    CYS  36           H        CYS  36   6.479  -5.344  -0.046
  292    HA   CYS  36           HA       CYS  36   6.433  -6.345  -2.614
  293    HB2  CYS  36           1HB      CYS  36   5.841  -4.014  -1.939
  294    HB3  CYS  36           2HB      CYS  36   7.558  -3.656  -1.808
  295    HG   CYS  36           HG       CYS  36   7.550  -2.705  -4.197
  296    H    THR  37           H        THR  37   7.961  -6.499  -4.287
  297    HA   THR  37           HA       THR  37  10.786  -6.418  -3.494
  298    HB   THR  37           HB       THR  37  11.168  -8.550  -4.760
  299    HG1  THR  37           1HG      THR  37   9.172  -8.569  -5.909
  300   HG21  THR  37          3HG2      THR  37  10.098 -10.015  -2.942
  301   HG22  THR  37          1HG2      THR  37   9.505  -8.503  -2.258
  302   HG23  THR  37          2HG2      THR  37  11.239  -8.773  -2.427
  303    H    LYS  38           H        LYS  38   9.390  -4.513  -5.016
  304    HA   LYS  38           HA       LYS  38  11.076  -4.230  -7.234
  305    HB2  LYS  38           1HB      LYS  38   8.698  -5.821  -7.708
  306    HB3  LYS  38           2HB      LYS  38   8.710  -4.378  -8.715
  307    HG2  LYS  38           1HG      LYS  38  11.229  -5.196  -9.098
  308    HG3  LYS  38           2HG      LYS  38  10.461  -6.752  -8.775
  309    HD2  LYS  38           1HD      LYS  38   9.256  -6.704 -10.694
  310    HD3  LYS  38           2HD      LYS  38   9.039  -4.954 -10.639
  311    HE2  LYS  38           1HE      LYS  38  10.579  -4.814 -12.241
  312    HE3  LYS  38           2HE      LYS  38  11.767  -5.308 -11.035
  313    HZ1  LYS  38           3HZ      LYS  38  10.231  -7.169 -12.767
  314    HZ2  LYS  38           1HZ      LYS  38  11.440  -7.595 -11.663
  315    HZ3  LYS  38           2HZ      LYS  38  11.831  -6.690 -13.038
  316    H    ASP  39           H        ASP  39  10.028  -2.515  -8.839
  317    HA   ASP  39           HA       ASP  39   9.119  -0.350  -7.116
  318    HB2  ASP  39           1HB      ASP  39  10.399  -0.538  -9.799
  319    HB3  ASP  39           2HB      ASP  39   9.398   0.873  -9.470
  320    H    ASN  40           H        ASN  40   7.035   0.088  -6.906
  321    HA   ASN  40           HA       ASN  40   4.791   0.179  -7.281
  322    HB2  ASN  40           1HB      ASN  40   6.043   0.941  -9.867
  323    HB3  ASN  40           2HB      ASN  40   4.318   0.587  -9.892
  324   HD21  ASN  40          2HD2      ASN  40   6.649   2.352  -7.879
  325   HD22  ASN  40          1HD2      ASN  40   5.653   3.746  -7.653
  326    H    ASN  41           H        ASN  41   4.910  -2.188  -6.729
  327    HA   ASN  41           HA       ASN  41   4.597  -4.063  -8.892
  328    HB2  ASN  41           1HB      ASN  41   4.834  -4.187  -5.958
  329    HB3  ASN  41           2HB      ASN  41   3.806  -5.429  -6.666
  330   HD21  ASN  41          2HD2      ASN  41   5.705  -6.618  -5.600
  331   HD22  ASN  41          1HD2      ASN  41   7.022  -7.006  -6.648
  332    H    LYS  42           H        LYS  42   2.467  -3.877  -6.081
  333    HA   LYS  42           HA       LYS  42   0.173  -2.892  -7.301
  334    HB2  LYS  42           1HB      LYS  42   0.087  -4.698  -8.811
  335    HB3  LYS  42           2HB      LYS  42   0.555  -5.863  -7.579
  336    HG2  LYS  42           1HG      LYS  42  -1.552  -6.082  -6.786
  337    HG3  LYS  42           2HG      LYS  42  -1.978  -4.405  -7.136
  338    HD2  LYS  42           1HD      LYS  42  -2.155  -4.933  -9.509
  339    HD3  LYS  42           2HD      LYS  42  -1.682  -6.602  -9.185
  340    HE2  LYS  42           1HE      LYS  42  -3.689  -7.093  -8.119
  341    HE3  LYS  42           2HE      LYS  42  -4.049  -5.396  -7.804
  342    HZ1  LYS  42           3HZ      LYS  42  -3.848  -5.943 -10.598
  343    HZ2  LYS  42           1HZ      LYS  42  -5.110  -5.222  -9.731
  344    HZ3  LYS  42           2HZ      LYS  42  -5.028  -6.906  -9.861
  345    H    CYS  43           H        CYS  43  -0.932  -2.215  -5.597
  346    HA   CYS  43           HA       CYS  43  -1.424  -4.036  -3.373
  347    HB2  CYS  43           1HB      CYS  43  -0.254  -1.274  -2.975
  348    HB3  CYS  43           2HB      CYS  43  -0.773  -2.365  -1.697
  349    HG   CYS  43           HG       CYS  43   1.574  -3.334  -1.377
  350    H    THR  44           H        THR  44  -3.072  -3.151  -1.859
  351    HA   THR  44           HA       THR  44  -4.730  -0.996  -2.851
  352    HB   THR  44           HB       THR  44  -6.792  -2.517  -2.778
  353    HG1  THR  44           1HG      THR  44  -6.147  -4.454  -2.082
  354   HG21  THR  44          3HG2      THR  44  -6.741  -2.723  -5.061
  355   HG22  THR  44          1HG2      THR  44  -5.075  -3.298  -5.082
  356   HG23  THR  44          2HG2      THR  44  -5.414  -1.585  -4.834
  357    H    VAL  45           H        VAL  45  -5.173   0.137  -1.086
  358    HA   VAL  45           HA       VAL  45  -5.219  -1.140   1.520
  359    HB   VAL  45           HB       VAL  45  -5.366   1.738   0.646
  360   HG11  VAL  45          1HG1      VAL  45  -6.827   1.626   2.520
  361   HG12  VAL  45          2HG1      VAL  45  -5.710   0.587   3.408
  362   HG13  VAL  45          3HG1      VAL  45  -5.292   2.273   3.097
  363   HG21  VAL  45          3HG2      VAL  45  -3.358   0.497   2.492
  364   HG22  VAL  45          1HG2      VAL  45  -3.189   0.358   0.742
  365   HG23  VAL  45          2HG2      VAL  45  -3.212   1.949   1.503
  366    H    ASP  46           H        ASP  46  -6.971  -1.323   2.854
  367    HA   ASP  46           HA       ASP  46  -9.583  -0.627   1.679
  368    HB2  ASP  46           1HB      ASP  46  -9.118  -3.078   1.822
  369    HB3  ASP  46           2HB      ASP  46  -8.997  -2.911   3.572
  370    H    THR  47           H        THR  47 -10.377   1.093   2.690
  371    HA   THR  47           HA       THR  47  -9.613   1.895   5.301
  372    HB   THR  47           HB       THR  47 -11.898   3.298   4.904
  373    HG1  THR  47           1HG      THR  47 -12.365   3.462   2.795
  374   HG21  THR  47          3HG2      THR  47  -9.738   4.307   5.274
  375   HG22  THR  47          1HG2      THR  47 -10.458   5.020   3.831
  376   HG23  THR  47          2HG2      THR  47  -9.187   3.807   3.675
  377    H    TYR  48           H        TYR  48 -11.785  -0.442   4.224
  378    HA   TYR  48           HA       TYR  48 -13.941  -0.305   5.937
  379    HB2  TYR  48           1HB      TYR  48 -13.925  -1.972   4.232
  380    HB3  TYR  48           2HB      TYR  48 -12.450  -2.699   4.861
  381    HD1  TYR  48           2HD      TYR  48 -15.934  -1.929   5.979
  382    HD2  TYR  48           1HD      TYR  48 -12.649  -4.630   6.106
  383    HE1  TYR  48           2HE      TYR  48 -17.282  -3.496   7.314
  384    HE2  TYR  48           1HE      TYR  48 -13.988  -6.205   7.439
  385    HH   TYR  48           HH       TYR  48 -15.955  -6.123   8.957
  386    H    ASN  49           H        ASN  49 -10.889  -2.055   6.524
  387    HA   ASN  49           HA       ASN  49 -11.075  -1.435   9.353
  388    HB2  ASN  49           1HB      ASN  49 -10.749  -3.841   9.989
  389    HB3  ASN  49           2HB      ASN  49 -12.335  -3.483   9.312
  390   HD21  ASN  49          2HD2      ASN  49 -12.164  -5.906   9.107
  391   HD22  ASN  49          1HD2      ASN  49 -11.529  -6.514   7.620
  392    H    ASN  50           H        ASN  50  -9.275  -0.565   7.386
  393    HA   ASN  50           HA       ASN  50  -7.056  -0.368   6.912
  394    HB2  ASN  50           1HB      ASN  50  -7.155  -1.133   9.796
  395    HB3  ASN  50           2HB      ASN  50  -5.585  -1.089   9.001
  396   HD21  ASN  50          2HD2      ASN  50  -5.728   1.005   7.351
  397   HD22  ASN  50          1HD2      ASN  50  -6.001   2.468   8.228
  398    H    ALA  51           H        ALA  51  -7.814  -2.402   5.542
  399    HA   ALA  51           HA       ALA  51  -5.854  -4.536   6.083
  400    HB1  ALA  51           1HB      ALA  51  -7.520  -5.991   4.748
  401    HB2  ALA  51           2HB      ALA  51  -7.870  -5.625   6.437
  402    HB3  ALA  51           3HB      ALA  51  -8.692  -4.737   5.154
  403    H    VAL  52           H        VAL  52  -4.315  -3.469   4.768
  404    HA   VAL  52           HA       VAL  52  -4.957  -2.990   1.976
  405    HB   VAL  52           HB       VAL  52  -3.528  -1.379   3.119
  406   HG11  VAL  52          1HG1      VAL  52  -1.150  -3.074   3.224
  407   HG12  VAL  52          2HG1      VAL  52  -1.768  -1.909   4.399
  408   HG13  VAL  52          3HG1      VAL  52  -2.413  -3.551   4.359
  409   HG21  VAL  52          3HG2      VAL  52  -2.000  -2.940   1.035
  410   HG22  VAL  52          1HG2      VAL  52  -3.248  -1.737   0.704
  411   HG23  VAL  52          2HG2      VAL  52  -1.737  -1.253   1.476
  412    H    ASP  53           H        ASP  53  -4.012  -4.049   0.230
  413    HA   ASP  53           HA       ASP  53  -2.899  -6.698   0.866
  414    HB2  ASP  53           1HB      ASP  53  -5.063  -6.660  -0.373
  415    HB3  ASP  53           2HB      ASP  53  -4.254  -5.810  -1.687
  416    H    CYS  54           H        CYS  54  -1.362  -7.577  -0.769
  417    HA   CYS  54           HA       CYS  54   0.185  -5.549  -2.190
  418    HB2  CYS  54           1HB      CYS  54   1.134  -5.796   0.131
  419    HB3  CYS  54           2HB      CYS  54   1.508  -7.469  -0.268
  420    HG   CYS  54           HG       CYS  54   3.704  -7.030  -1.549
  421    H    ASP  55           H        ASP  55   1.610  -6.416  -3.786
  422    HA   ASP  55           HA       ASP  55   0.600  -8.851  -4.955
  423    HB2  ASP  55           1HB      ASP  55   1.571  -6.545  -6.025
  424    HB3  ASP  55           2HB      ASP  55   2.982  -7.591  -6.159
  Start of MODEL   18
    1    H1   ALA   1           H        ALA   1 -14.468  -1.249   1.077
    2    HA   ALA   1           HA       ALA   1 -14.400  -2.381  -1.639
    3    HB1  ALA   1           1HB      ALA   1 -15.514  -0.563  -2.314
    4    HB2  ALA   1           2HB      ALA   1 -15.210   0.298  -0.804
    5    HB3  ALA   1           3HB      ALA   1 -13.988   0.287  -2.075
    6    H    LYS   2           H        LYS   2 -12.413  -2.842  -2.305
    7    HA   LYS   2           HA       LYS   2 -10.135  -1.979  -0.737
    8    HB2  LYS   2           1HB      LYS   2 -10.500  -3.913  -3.013
    9    HB3  LYS   2           2HB      LYS   2  -8.898  -3.445  -2.457
   10    HG2  LYS   2           1HG      LYS   2  -9.316  -4.348  -0.284
   11    HG3  LYS   2           2HG      LYS   2 -11.009  -4.646  -0.681
   12    HD2  LYS   2           1HD      LYS   2  -9.683  -5.977  -2.680
   13    HD3  LYS   2           2HD      LYS   2  -8.629  -6.231  -1.286
   14    HE2  LYS   2           1HE      LYS   2 -11.226  -6.619  -0.335
   15    HE3  LYS   2           2HE      LYS   2 -11.183  -7.421  -1.904
   16    HZ1  LYS   2           3HZ      LYS   2 -10.388  -8.588   0.328
   17    HZ2  LYS   2           1HZ      LYS   2  -8.917  -7.894  -0.140
   18    HZ3  LYS   2           2HZ      LYS   2  -9.719  -8.958  -1.182
   19    H    TYR   3           H        TYR   3  -8.519  -0.630  -1.389
   20    HA   TYR   3           HA       TYR   3  -9.057   0.938  -3.808
   21    HB2  TYR   3           1HB      TYR   3  -7.521   1.506  -1.284
   22    HB3  TYR   3           2HB      TYR   3  -7.301   2.490  -2.727
   23    HD1  TYR   3           2HD      TYR   3 -10.614   1.285  -2.592
   24    HD2  TYR   3           1HD      TYR   3  -8.054   4.257  -0.945
   25    HE1  TYR   3           2HE      TYR   3 -12.580   2.628  -1.973
   26    HE2  TYR   3           1HE      TYR   3 -10.012   5.608  -0.321
   27    HH   TYR   3           HH       TYR   3 -13.268   4.677  -1.286
   28    H    THR   4           H        THR   4  -7.660   1.043  -5.478
   29    HA   THR   4           HA       THR   4  -5.553  -0.916  -5.601
   30    HB   THR   4           HB       THR   4  -6.283   1.172  -7.662
   31    HG1  THR   4           1HG      THR   4  -7.098  -1.537  -7.721
   32   HG21  THR   4          3HG2      THR   4  -5.209  -0.356  -9.238
   33   HG22  THR   4          1HG2      THR   4  -4.811  -1.454  -7.916
   34   HG23  THR   4          2HG2      THR   4  -4.076   0.148  -7.985
   35    H    GLY   5           H        GLY   5  -3.898  -0.310  -4.244
   36    HA2  GLY   5           1HA      GLY   5  -2.632   2.297  -4.801
   37    HA3  GLY   5           2HA      GLY   5  -2.512   1.442  -3.272
   38    H    LYS   6           H        LYS   6  -0.190   2.197  -4.132
   39    HA   LYS   6           HA       LYS   6   1.068  -0.275  -5.045
   40    HB2  LYS   6           1HB      LYS   6   2.092   2.261  -6.233
   41    HB3  LYS   6           2HB      LYS   6   2.173   0.619  -6.858
   42    HG2  LYS   6           1HG      LYS   6  -0.275   0.747  -7.310
   43    HG3  LYS   6           2HG      LYS   6  -0.214   2.451  -6.852
   44    HD2  LYS   6           1HD      LYS   6  -0.017   2.500  -9.174
   45    HD3  LYS   6           2HD      LYS   6   1.652   2.636  -8.618
   46    HE2  LYS   6           1HE      LYS   6   1.959   0.232  -8.973
   47    HE3  LYS   6           2HE      LYS   6   0.292   0.104  -9.534
   48    HZ1  LYS   6           3HZ      LYS   6   2.542   0.703 -11.040
   49    HZ2  LYS   6           1HZ      LYS   6   1.628   2.126 -10.976
   50    HZ3  LYS   6           2HZ      LYS   6   0.931   0.697 -11.554
   51    H    CYS   7           H        CYS   7   3.358  -0.372  -4.577
   52    HA   CYS   7           HA       CYS   7   4.228   1.564  -2.538
   53    HB2  CYS   7           1HB      CYS   7   5.373  -0.414  -1.415
   54    HB3  CYS   7           2HB      CYS   7   3.621  -0.341  -1.271
   55    HG   CYS   7           HG       CYS   7   3.310  -2.188  -3.480
   56    H    THR   8           H        THR   8   6.525   1.789  -2.302
   57    HA   THR   8           HA       THR   8   7.924   1.329  -4.831
   58    HB   THR   8           HB       THR   8   9.611   2.828  -3.202
   59    HG1  THR   8           1HG      THR   8   6.919   3.730  -2.905
   60   HG21  THR   8          3HG2      THR   8   7.654   4.205  -4.982
   61   HG22  THR   8          1HG2      THR   8   8.749   3.017  -5.688
   62   HG23  THR   8          2HG2      THR   8   9.399   4.423  -4.843
   63    H    LYS   9           H        LYS   9   9.963   0.373  -4.941
   64    HA   LYS   9           HA       LYS   9  10.423  -1.867  -3.384
   65    HB2  LYS   9           1HB      LYS   9  12.312  -0.220  -5.061
   66    HB3  LYS   9           2HB      LYS   9  12.791  -1.732  -4.301
   67    HG2  LYS   9           1HG      LYS   9  10.416  -2.313  -5.640
   68    HG3  LYS   9           2HG      LYS   9  11.335  -1.284  -6.741
   69    HD2  LYS   9           1HD      LYS   9  12.364  -3.784  -5.399
   70    HD3  LYS   9           2HD      LYS   9  11.840  -3.661  -7.080
   71    HE2  LYS   9           1HE      LYS   9  13.596  -1.920  -7.420
   72    HE3  LYS   9           2HE      LYS   9  14.172  -2.255  -5.788
   73    HZ1  LYS   9           3HZ      LYS   9  15.000  -3.513  -8.040
   74    HZ2  LYS   9           1HZ      LYS   9  13.893  -4.617  -7.393
   75    HZ3  LYS   9           2HZ      LYS   9  15.206  -4.092  -6.465
   76    H    SER  10           H        SER  10  12.462   1.060  -3.312
   77    HA   SER  10           HA       SER  10  13.837   0.415  -0.976
   78    HB2  SER  10           1HB      SER  10  13.998   3.074  -0.869
   79    HB3  SER  10           2HB      SER  10  14.871   2.142  -2.084
   80    HG   SER  10           HG       SER  10  13.754   3.839  -3.066
   81    H    LYS  11           H        LYS  11  10.936   2.422  -1.404
   82    HA   LYS  11           HA       LYS  11  10.506   2.296   1.507
   83    HB2  LYS  11           1HB      LYS  11  10.329   4.455  -0.382
   84    HB3  LYS  11           2HB      LYS  11   8.754   4.191   0.353
   85    HG2  LYS  11           1HG      LYS  11  10.076   5.849   1.569
   86    HG3  LYS  11           2HG      LYS  11   9.708   4.438   2.564
   87    HD2  LYS  11           1HD      LYS  11  11.939   3.551   2.162
   88    HD3  LYS  11           2HD      LYS  11  12.309   4.917   1.107
   89    HE2  LYS  11           1HE      LYS  11  11.363   5.596   3.817
   90    HE3  LYS  11           2HE      LYS  11  12.942   4.817   3.728
   91    HZ1  LYS  11           3HZ      LYS  11  13.625   6.530   2.136
   92    HZ2  LYS  11           1HZ      LYS  11  13.181   7.197   3.625
   93    HZ3  LYS  11           2HZ      LYS  11  12.125   7.294   2.308
   94    H    ASN  12           H        ASN  12   9.363   0.419   1.714
   95    HA   ASN  12           HA       ASN  12   7.181  -0.231  -0.045
   96    HB2  ASN  12           1HB      ASN  12   8.620  -1.962   1.027
   97    HB3  ASN  12           2HB      ASN  12   7.939  -1.513   2.587
   98   HD21  ASN  12          2HD2      ASN  12   6.987  -3.453   3.008
   99   HD22  ASN  12          1HD2      ASN  12   5.648  -4.073   2.108
  100    H    GLU  13           H        GLU  13   6.002   1.796   0.317
  101    HA   GLU  13           HA       GLU  13   4.242   1.561   2.660
  102    HB2  GLU  13           1HB      GLU  13   4.271   3.895   3.062
  103    HB3  GLU  13           2HB      GLU  13   5.954   3.417   2.885
  104    HG2  GLU  13           1HG      GLU  13   5.613   4.104   0.404
  105    HG3  GLU  13           2HG      GLU  13   4.235   5.004   1.037
  106    H    CYS  14           H        CYS  14   2.097   2.252   2.358
  107    HA   CYS  14           HA       CYS  14   1.151   1.951  -0.343
  108    HB2  CYS  14           1HB      CYS  14   0.103   1.407   2.163
  109    HB3  CYS  14           2HB      CYS  14  -0.842   2.788   1.617
  110    HG   CYS  14           HG       CYS  14  -0.952   1.073  -0.979
  111    H    LYS  15           H        LYS  15   1.039   3.571  -1.734
  112    HA   LYS  15           HA       LYS  15   0.474   6.275  -0.705
  113    HB2  LYS  15           1HB      LYS  15   2.716   6.232  -1.558
  114    HB3  LYS  15           2HB      LYS  15   2.202   5.413  -3.025
  115    HG2  LYS  15           1HG      LYS  15   0.884   7.431  -3.623
  116    HG3  LYS  15           2HG      LYS  15   1.573   8.243  -2.215
  117    HD2  LYS  15           1HD      LYS  15   3.846   7.481  -3.289
  118    HD3  LYS  15           2HD      LYS  15   2.881   7.414  -4.766
  119    HE2  LYS  15           1HE      LYS  15   2.184   9.830  -3.581
  120    HE3  LYS  15           2HE      LYS  15   3.925   9.705  -3.333
  121    HZ1  LYS  15           3HZ      LYS  15   3.073   8.985  -5.986
  122    HZ2  LYS  15           1HZ      LYS  15   4.326  10.008  -5.493
  123    HZ3  LYS  15           2HZ      LYS  15   2.742  10.595  -5.586
  124    H    TYR  16           H        TYR  16  -1.752   6.148  -0.968
  125    HA   TYR  16           HA       TYR  16  -2.658   6.073  -3.770
  126    HB2  TYR  16           1HB      TYR  16  -4.730   5.006  -3.059
  127    HB3  TYR  16           2HB      TYR  16  -3.351   4.024  -2.578
  128    HD1  TYR  16           1HD      TYR  16  -2.490   4.404  -0.136
  129    HD2  TYR  16           2HD      TYR  16  -6.369   5.501  -1.497
  130    HE1  TYR  16           1HE      TYR  16  -3.299   4.401   2.186
  131    HE2  TYR  16           2HE      TYR  16  -7.189   5.502   0.822
  132    HH   TYR  16           HH       TYR  16  -6.240   5.757   3.110
  133    H    LYS  17           H        LYS  17  -5.004   7.029  -3.856
  134    HA   LYS  17           HA       LYS  17  -4.862   9.637  -2.522
  135    HB2  LYS  17           1HB      LYS  17  -4.978   9.887  -4.877
  136    HB3  LYS  17           2HB      LYS  17  -6.255   8.685  -5.018
  137    HG2  LYS  17           1HG      LYS  17  -7.874  10.143  -4.139
  138    HG3  LYS  17           2HG      LYS  17  -6.650  11.269  -3.545
  139    HD2  LYS  17           1HD      LYS  17  -7.275  12.378  -5.436
  140    HD3  LYS  17           2HD      LYS  17  -6.018  11.347  -6.122
  141    HE2  LYS  17           1HE      LYS  17  -7.497  10.093  -7.283
  142    HE3  LYS  17           2HE      LYS  17  -8.722  10.178  -6.018
  143    HZ1  LYS  17           3HZ      LYS  17  -8.063  12.392  -7.885
  144    HZ2  LYS  17           1HZ      LYS  17  -9.298  12.387  -6.729
  145    HZ3  LYS  17           2HZ      LYS  17  -9.379  11.342  -8.057
  146    H    ASN  18           H        ASN  18  -6.071   9.897  -0.773
  147    HA   ASN  18           HA       ASN  18  -8.648   8.475  -0.622
  148    HB2  ASN  18           1HB      ASN  18  -8.348   8.064   1.638
  149    HB3  ASN  18           2HB      ASN  18  -6.699   7.909   1.036
  150   HD21  ASN  18          2HD2      ASN  18  -5.480  10.057   1.020
  151   HD22  ASN  18          1HD2      ASN  18  -5.630  11.017   2.450
  152    H    ASP  19           H        ASP  19 -10.353   9.565   0.560
  153    HA   ASP  19           HA       ASP  19 -11.643  11.355   1.141
  154    HB2  ASP  19           1HB      ASP  19  -9.447  12.034   2.341
  155    HB3  ASP  19           2HB      ASP  19  -9.243  13.161   1.002
  156    H    ALA  20           H        ALA  20  -9.144  12.902  -0.873
  157    HA   ALA  20           HA       ALA  20 -10.588  12.923  -3.265
  158    HB1  ALA  20           1HB      ALA  20 -11.832  14.570  -1.493
  159    HB2  ALA  20           2HB      ALA  20 -10.757  15.694  -2.326
  160    HB3  ALA  20           3HB      ALA  20 -11.914  14.733  -3.248
  161    H    GLY  21           H        GLY  21  -7.924  12.553  -2.491
  162    HA2  GLY  21           1HA      GLY  21  -6.085  13.130  -3.977
  163    HA3  GLY  21           2HA      GLY  21  -6.644  14.795  -3.923
  164    H    LYS  22           H        LYS  22  -6.745  13.128  -0.945
  165    HA   LYS  22           HA       LYS  22  -4.731  14.865   0.157
  166    HB2  LYS  22           1HB      LYS  22  -6.705  12.914   1.232
  167    HB3  LYS  22           2HB      LYS  22  -5.298  13.275   2.224
  168    HG2  LYS  22           1HG      LYS  22  -6.553  15.669   1.160
  169    HG3  LYS  22           2HG      LYS  22  -7.650  14.701   2.148
  170    HD2  LYS  22           1HD      LYS  22  -5.745  14.622   3.856
  171    HD3  LYS  22           2HD      LYS  22  -5.018  15.929   2.918
  172    HE2  LYS  22           1HE      LYS  22  -7.010  17.291   3.251
  173    HE3  LYS  22           2HE      LYS  22  -7.774  15.977   4.146
  174    HZ1  LYS  22           3HZ      LYS  22  -5.412  16.331   5.433
  175    HZ2  LYS  22           1HZ      LYS  22  -6.907  16.944   5.937
  176    HZ3  LYS  22           2HZ      LYS  22  -5.855  17.914   5.034
  177    H    ASP  23           H        ASP  23  -2.656  14.405  -0.196
  178    HA   ASP  23           HA       ASP  23  -1.614  11.885  -0.830
  179    HB2  ASP  23           1HB      ASP  23  -0.523  14.536  -0.144
  180    HB3  ASP  23           2HB      ASP  23   0.547  13.184   0.212
  181    H    THR  24           H        THR  24  -2.128  10.260   0.566
  182    HA   THR  24           HA       THR  24  -1.113  10.521   3.323
  183    HB   THR  24           HB       THR  24  -3.456   8.882   2.339
  184    HG1  THR  24           1HG      THR  24  -3.193  11.232   3.904
  185   HG21  THR  24          3HG2      THR  24  -3.761   8.267   4.705
  186   HG22  THR  24          1HG2      THR  24  -2.248   9.079   5.101
  187   HG23  THR  24          2HG2      THR  24  -2.239   7.659   4.056
  188    H    PHE  25           H        PHE  25   0.343   9.068   4.005
  189    HA   PHE  25           HA       PHE  25   0.843   6.716   2.300
  190    HB2  PHE  25           1HB      PHE  25   2.882   8.403   3.767
  191    HB3  PHE  25           2HB      PHE  25   3.239   6.925   2.880
  192    HD1  PHE  25           2HD      PHE  25   1.865  10.348   2.471
  193    HD2  PHE  25           1HD      PHE  25   3.713   6.998   0.604
  194    HE1  PHE  25           2HE      PHE  25   2.161  11.663   0.413
  195    HE2  PHE  25           1HE      PHE  25   4.013   8.308  -1.456
  196    HZ   PHE  25           HZ       PHE  25   3.237  10.643  -1.554
  197    H    ILE  26           H        ILE  26   1.327   4.784   3.309
  198    HA   ILE  26           HA       ILE  26   1.640   4.646   6.175
  199    HB   ILE  26           HB       ILE  26  -0.767   4.793   6.085
  200   HG12  ILE  26          1HG1      ILE  26  -0.694   1.904   6.469
  201   HG13  ILE  26          2HG1      ILE  26   0.661   2.714   7.248
  202   HG21  ILE  26          1HG2      ILE  26  -2.156   3.393   4.770
  203   HG22  ILE  26          2HG2      ILE  26  -0.918   4.036   3.691
  204   HG23  ILE  26          3HG2      ILE  26  -0.795   2.381   4.289
  205   HD11  ILE  26          3HD1      ILE  26  -1.230   2.444   8.757
  206   HD12  ILE  26          1HD1      ILE  26  -0.877   4.146   8.462
  207   HD13  ILE  26          2HD1      ILE  26  -2.245   3.376   7.657
  208    H    LYS  27           H        LYS  27   3.126   3.142   6.505
  209    HA   LYS  27           HA       LYS  27   4.188   1.440   4.623
  210    HB2  LYS  27           1HB      LYS  27   4.191   1.487   7.603
  211    HB3  LYS  27           2HB      LYS  27   4.791   0.041   6.803
  212    HG2  LYS  27           1HG      LYS  27   6.231   1.714   5.434
  213    HG3  LYS  27           2HG      LYS  27   5.888   2.815   6.770
  214    HD2  LYS  27           1HD      LYS  27   6.987   1.459   8.324
  215    HD3  LYS  27           2HD      LYS  27   6.924   0.045   7.269
  216    HE2  LYS  27           1HE      LYS  27   8.886   0.562   6.356
  217    HE3  LYS  27           2HE      LYS  27   8.342   2.199   5.990
  218    HZ1  LYS  27           3HZ      LYS  27  10.133   2.503   7.410
  219    HZ2  LYS  27           1HZ      LYS  27   9.703   1.211   8.416
  220    HZ3  LYS  27           2HZ      LYS  27   8.805   2.643   8.448
  221    H    CYS  28           H        CYS  28   4.036  -0.818   4.255
  222    HA   CYS  28           HA       CYS  28   1.404  -1.945   4.952
  223    HB2  CYS  28           1HB      CYS  28   3.076  -2.202   2.461
  224    HB3  CYS  28           2HB      CYS  28   1.807  -3.360   2.841
  225    HG   CYS  28           HG       CYS  28  -0.209  -1.927   2.088
  226    HA   PRO  29           HA       PRO  29   3.315  -5.360   6.931
  227    HB2  PRO  29           1HB      PRO  29   1.639  -7.391   6.276
  228    HB3  PRO  29           2HB      PRO  29   1.203  -6.118   7.423
  229    HG2  PRO  29           1HG      PRO  29   0.486  -6.388   4.528
  230    HG3  PRO  29           2HG      PRO  29  -0.535  -5.899   5.894
  231    HD2  PRO  29           1HD      PRO  29   0.551  -4.112   4.175
  232    HD3  PRO  29           2HD      PRO  29   0.273  -3.741   5.888
  233    H    LYS  30           H        LYS  30   4.819  -6.927   6.570
  234    HA   LYS  30           HA       LYS  30   4.939  -8.442   4.146
  235    HB2  LYS  30           1HB      LYS  30   7.075  -7.571   3.329
  236    HB3  LYS  30           2HB      LYS  30   5.838  -6.321   3.316
  237    HG2  LYS  30           1HG      LYS  30   7.677  -6.571   5.655
  238    HG3  LYS  30           2HG      LYS  30   8.221  -5.774   4.176
  239    HD2  LYS  30           1HD      LYS  30   5.972  -4.463   4.402
  240    HD3  LYS  30           2HD      LYS  30   6.074  -4.966   6.091
  241    HE2  LYS  30           1HE      LYS  30   8.062  -3.789   6.441
  242    HE3  LYS  30           2HE      LYS  30   8.400  -3.664   4.715
  243    HZ1  LYS  30           3HZ      LYS  30   6.061  -2.367   4.915
  244    HZ2  LYS  30           1HZ      LYS  30   7.575  -1.613   4.958
  245    HZ3  LYS  30           2HZ      LYS  30   6.769  -1.977   6.401
  246    H    PHE  31           H        PHE  31   4.757  -9.368   6.654
  247    HA   PHE  31           HA       PHE  31   7.343  -9.900   7.798
  248    HB2  PHE  31           1HB      PHE  31   5.874 -11.577   9.177
  249    HB3  PHE  31           2HB      PHE  31   5.714  -9.844   9.444
  250    HD1  PHE  31           1HD      PHE  31   4.170 -12.790   7.866
  251    HD2  PHE  31           2HD      PHE  31   3.698  -8.700   8.943
  252    HE1  PHE  31           1HE      PHE  31   1.763 -12.943   7.381
  253    HE2  PHE  31           2HE      PHE  31   1.290  -8.847   8.461
  254    HZ   PHE  31           HZ       PHE  31   0.319 -10.971   7.680
  255    H    ASP  32           H        ASP  32   7.916 -10.729   5.481
  256    HA   ASP  32           HA       ASP  32   8.696 -12.485   4.260
  257    HB2  ASP  32           1HB      ASP  32   7.802 -14.331   6.468
  258    HB3  ASP  32           2HB      ASP  32   9.125 -14.555   5.328
  259    H    ASN  33           H        ASN  33   6.592 -11.754   3.128
  260    HA   ASN  33           HA       ASN  33   5.355 -13.994   2.018
  261    HB2  ASN  33           1HB      ASN  33   4.271 -13.529   4.489
  262    HB3  ASN  33           2HB      ASN  33   3.180 -12.621   3.447
  263   HD21  ASN  33          2HD2      ASN  33   4.553 -15.778   4.087
  264   HD22  ASN  33          1HD2      ASN  33   3.307 -16.688   3.310
  265    H    LYS  34           H        LYS  34   5.196 -10.579   2.767
  266    HA   LYS  34           HA       LYS  34   4.317 -10.072   0.011
  267    HB2  LYS  34           1HB      LYS  34   3.308  -8.438   2.333
  268    HB3  LYS  34           2HB      LYS  34   2.741  -8.424   0.669
  269    HG2  LYS  34           1HG      LYS  34   1.115  -9.762   1.386
  270    HG3  LYS  34           2HG      LYS  34   2.341 -11.031   1.412
  271    HD2  LYS  34           1HD      LYS  34   1.571 -11.207   3.556
  272    HD3  LYS  34           2HD      LYS  34   2.834  -9.999   3.801
  273    HE2  LYS  34           1HE      LYS  34   1.336  -8.294   4.094
  274    HE3  LYS  34           2HE      LYS  34   0.107  -9.055   3.084
  275    HZ1  LYS  34           3HZ      LYS  34  -0.816 -10.001   4.852
  276    HZ2  LYS  34           1HZ      LYS  34   0.169  -9.024   5.819
  277    HZ3  LYS  34           2HZ      LYS  34   0.663 -10.591   5.423
  278    H    LYS  35           H        LYS  35   6.925 -10.011   0.636
  279    HA   LYS  35           HA       LYS  35   7.772  -7.393   1.480
  280    HB2  LYS  35           1HB      LYS  35   9.001  -9.956   0.986
  281    HB3  LYS  35           2HB      LYS  35   9.907  -8.683   0.178
  282    HG2  LYS  35           1HG      LYS  35  10.601  -7.752   2.116
  283    HG3  LYS  35           2HG      LYS  35   9.116  -8.165   2.975
  284    HD2  LYS  35           1HD      LYS  35   9.824 -10.417   3.280
  285    HD3  LYS  35           2HD      LYS  35  11.181 -10.206   2.172
  286    HE2  LYS  35           1HE      LYS  35  12.267 -10.008   4.174
  287    HE3  LYS  35           2HE      LYS  35  11.846  -8.320   3.887
  288    HZ1  LYS  35           3HZ      LYS  35  10.779  -8.336   5.811
  289    HZ2  LYS  35           1HZ      LYS  35  11.080  -9.987   6.025
  290    HZ3  LYS  35           2HZ      LYS  35   9.693  -9.481   5.200
  291    H    CYS  36           H        CYS  36   8.161  -5.659   0.250
  292    HA   CYS  36           HA       CYS  36   7.311  -5.529  -2.421
  293    HB2  CYS  36           1HB      CYS  36   7.563  -3.628  -0.710
  294    HB3  CYS  36           2HB      CYS  36   9.256  -3.588  -1.187
  295    HG   CYS  36           HG       CYS  36   7.455  -1.591  -2.407
  296    H    THR  37           H        THR  37   8.344  -5.682  -4.343
  297    HA   THR  37           HA       THR  37  11.232  -5.788  -4.492
  298    HB   THR  37           HB       THR  37  11.079  -8.012  -5.790
  299    HG1  THR  37           1HG      THR  37   9.214  -9.000  -5.736
  300   HG21  THR  37          3HG2      THR  37  10.566  -8.384  -2.866
  301   HG22  THR  37          1HG2      THR  37  12.003  -7.515  -3.402
  302   HG23  THR  37          2HG2      THR  37  11.743  -9.185  -3.905
  303    H    LYS  38           H        LYS  38   9.398  -3.978  -5.568
  304    HA   LYS  38           HA       LYS  38  10.219  -3.832  -8.232
  305    HB2  LYS  38           1HB      LYS  38   8.787  -5.656  -8.767
  306    HB3  LYS  38           2HB      LYS  38   7.467  -4.993  -7.813
  307    HG2  LYS  38           1HG      LYS  38   7.072  -4.739 -10.206
  308    HG3  LYS  38           2HG      LYS  38   7.203  -3.175  -9.400
  309    HD2  LYS  38           1HD      LYS  38   8.922  -2.585 -10.687
  310    HD3  LYS  38           2HD      LYS  38   9.787  -4.075 -10.305
  311    HE2  LYS  38           1HE      LYS  38   7.540  -4.431 -12.148
  312    HE3  LYS  38           2HE      LYS  38   8.822  -3.392 -12.770
  313    HZ1  LYS  38           3HZ      LYS  38   9.771  -5.314 -13.354
  314    HZ2  LYS  38           1HZ      LYS  38   8.827  -6.237 -12.296
  315    HZ3  LYS  38           2HZ      LYS  38  10.208  -5.446 -11.724
  316    H    ASP  39           H        ASP  39  10.160  -1.740  -8.711
  317    HA   ASP  39           HA       ASP  39   9.137   0.232  -7.084
  318    HB2  ASP  39           1HB      ASP  39   9.199   1.643  -9.280
  319    HB3  ASP  39           2HB      ASP  39  10.700   0.996  -8.623
  320    H    ASN  40           H        ASN  40   7.149   0.864  -6.602
  321    HA   ASN  40           HA       ASN  40   4.904   1.212  -6.691
  322    HB2  ASN  40           1HB      ASN  40   5.745   1.494  -9.537
  323    HB3  ASN  40           2HB      ASN  40   4.020   1.376  -9.200
  324   HD21  ASN  40          2HD2      ASN  40   6.642   2.903  -7.379
  325   HD22  ASN  40          1HD2      ASN  40   5.961   4.492  -7.397
  326    H    ASN  41           H        ASN  41   5.185  -1.189  -5.947
  327    HA   ASN  41           HA       ASN  41   4.325  -3.236  -7.725
  328    HB2  ASN  41           1HB      ASN  41   5.429  -3.151  -5.180
  329    HB3  ASN  41           2HB      ASN  41   3.802  -3.770  -4.907
  330   HD21  ASN  41          2HD2      ASN  41   6.770  -4.798  -5.176
  331   HD22  ASN  41          1HD2      ASN  41   6.552  -6.289  -6.022
  332    H    LYS  42           H        LYS  42   2.396  -4.608  -6.262
  333    HA   LYS  42           HA       LYS  42   0.052  -2.886  -6.697
  334    HB2  LYS  42           1HB      LYS  42   0.642  -5.377  -7.738
  335    HB3  LYS  42           2HB      LYS  42  -0.460  -5.751  -6.419
  336    HG2  LYS  42           1HG      LYS  42  -2.232  -4.808  -7.449
  337    HG3  LYS  42           2HG      LYS  42  -1.261  -3.538  -8.196
  338    HD2  LYS  42           1HD      LYS  42  -1.999  -4.894  -9.976
  339    HD3  LYS  42           2HD      LYS  42  -0.316  -5.354  -9.703
  340    HE2  LYS  42           1HE      LYS  42  -1.095  -7.266  -8.351
  341    HE3  LYS  42           2HE      LYS  42  -2.761  -6.823  -8.718
  342    HZ1  LYS  42           3HZ      LYS  42  -2.606  -7.615 -10.808
  343    HZ2  LYS  42           1HZ      LYS  42  -1.380  -8.573 -10.144
  344    HZ3  LYS  42           2HZ      LYS  42  -0.985  -7.167 -10.996
  345    H    CYS  43           H        CYS  43  -0.687  -2.055  -4.856
  346    HA   CYS  43           HA       CYS  43  -0.637  -3.723  -2.434
  347    HB2  CYS  43           1HB      CYS  43  -0.306  -0.825  -2.929
  348    HB3  CYS  43           2HB      CYS  43  -1.248  -1.252  -1.504
  349    HG   CYS  43           HG       CYS  43   1.614  -2.958  -1.767
  350    H    THR  44           H        THR  44  -2.491  -2.721  -0.859
  351    HA   THR  44           HA       THR  44  -4.986  -2.260  -2.231
  352    HB   THR  44           HB       THR  44  -5.678  -4.425  -0.592
  353    HG1  THR  44           1HG      THR  44  -3.270  -4.856  -0.947
  354   HG21  THR  44          3HG2      THR  44  -5.866  -5.500  -3.026
  355   HG22  THR  44          1HG2      THR  44  -5.611  -3.820  -3.496
  356   HG23  THR  44          2HG2      THR  44  -6.973  -4.250  -2.460
  357    H    VAL  45           H        VAL  45  -6.551  -1.392  -0.909
  358    HA   VAL  45           HA       VAL  45  -6.140  -1.378   1.975
  359    HB   VAL  45           HB       VAL  45  -6.234   1.157   0.336
  360   HG11  VAL  45          1HG1      VAL  45  -6.385   0.772   3.323
  361   HG12  VAL  45          2HG1      VAL  45  -6.137   2.323   2.518
  362   HG13  VAL  45          3HG1      VAL  45  -7.640   1.432   2.275
  363   HG21  VAL  45          3HG2      VAL  45  -4.141   0.062   2.213
  364   HG22  VAL  45          1HG2      VAL  45  -4.025   0.138   0.456
  365   HG23  VAL  45          2HG2      VAL  45  -4.076   1.627   1.402
  366    H    ASP  46           H        ASP  46  -8.048  -2.189   2.584
  367    HA   ASP  46           HA       ASP  46 -10.491  -1.567   1.188
  368    HB2  ASP  46           1HB      ASP  46  -9.776  -3.765   2.465
  369    HB3  ASP  46           2HB      ASP  46 -10.472  -2.928   3.850
  370    H    THR  47           H        THR  47 -12.230  -0.383   1.949
  371    HA   THR  47           HA       THR  47 -11.543   1.677   3.890
  372    HB   THR  47           HB       THR  47 -13.416   2.907   3.097
  373    HG1  THR  47           1HG      THR  47 -15.098   2.000   2.060
  374   HG21  THR  47          3HG2      THR  47 -11.370   2.418   1.516
  375   HG22  THR  47          1HG2      THR  47 -12.769   3.313   0.925
  376   HG23  THR  47          2HG2      THR  47 -12.593   1.600   0.543
  377    H    TYR  48           H        TYR  48 -13.372  -1.216   3.705
  378    HA   TYR  48           HA       TYR  48 -15.444  -0.818   5.479
  379    HB2  TYR  48           1HB      TYR  48 -15.036  -2.904   4.184
  380    HB3  TYR  48           2HB      TYR  48 -13.733  -3.306   5.297
  381    HD1  TYR  48           1HD      TYR  48 -14.319  -3.633   7.754
  382    HD2  TYR  48           2HD      TYR  48 -17.256  -3.479   4.679
  383    HE1  TYR  48           1HE      TYR  48 -15.931  -4.741   9.245
  384    HE2  TYR  48           2HE      TYR  48 -18.876  -4.584   6.162
  385    HH   TYR  48           HH       TYR  48 -18.593  -6.230   8.294
  386    H    ASN  49           H        ASN  49 -12.095  -1.748   6.220
  387    HA   ASN  49           HA       ASN  49 -12.290  -0.466   8.805
  388    HB2  ASN  49           1HB      ASN  49 -11.515  -2.513  10.027
  389    HB3  ASN  49           2HB      ASN  49 -13.163  -2.624   9.415
  390   HD21  ASN  49          2HD2      ASN  49 -12.483  -4.945   9.892
  391   HD22  ASN  49          1HD2      ASN  49 -11.833  -5.830   8.557
  392    H    ASN  50           H        ASN  50 -10.759   0.102   6.522
  393    HA   ASN  50           HA       ASN  50  -8.631   0.501   5.809
  394    HB2  ASN  50           1HB      ASN  50  -8.476   0.605   8.790
  395    HB3  ASN  50           2HB      ASN  50  -6.975   0.686   7.870
  396   HD21  ASN  50          2HD2      ASN  50  -6.408   2.550   6.937
  397   HD22  ASN  50          1HD2      ASN  50  -7.375   3.981   6.925
  398    H    ALA  51           H        ALA  51  -9.047  -1.936   5.132
  399    HA   ALA  51           HA       ALA  51  -7.229  -3.801   6.401
  400    HB1  ALA  51           1HB      ALA  51  -9.570  -4.188   5.163
  401    HB2  ALA  51           2HB      ALA  51  -8.477  -4.488   3.812
  402    HB3  ALA  51           3HB      ALA  51  -8.330  -5.436   5.291
  403    H    VAL  52           H        VAL  52  -5.176  -2.961   6.059
  404    HA   VAL  52           HA       VAL  52  -4.278  -2.268   3.407
  405    HB   VAL  52           HB       VAL  52  -2.575  -2.651   5.867
  406   HG11  VAL  52          1HG1      VAL  52  -1.925  -2.119   3.204
  407   HG12  VAL  52          2HG1      VAL  52  -1.778  -0.572   4.040
  408   HG13  VAL  52          3HG1      VAL  52  -0.871  -1.973   4.610
  409   HG21  VAL  52          3HG2      VAL  52  -2.811  -0.064   5.914
  410   HG22  VAL  52          1HG2      VAL  52  -4.301  -0.362   5.019
  411   HG23  VAL  52          2HG2      VAL  52  -4.080  -1.064   6.622
  412    H    ASP  53           H        ASP  53  -3.066  -3.466   2.036
  413    HA   ASP  53           HA       ASP  53  -1.890  -5.973   2.913
  414    HB2  ASP  53           1HB      ASP  53  -4.267  -5.791   1.116
  415    HB3  ASP  53           2HB      ASP  53  -3.050  -7.017   0.769
  416    H    CYS  54           H        CYS  54   0.039  -6.177   2.001
  417    HA   CYS  54           HA       CYS  54   0.770  -4.444  -0.205
  418    HB2  CYS  54           1HB      CYS  54   2.156  -5.113   1.958
  419    HB3  CYS  54           2HB      CYS  54   2.667  -6.447   0.931
  420    HG   CYS  54           HG       CYS  54   3.489  -3.197   0.785
  421    H    ASP  55           H        ASP  55   2.168  -5.384  -1.972
  422    HA   ASP  55           HA       ASP  55   0.701  -7.245  -3.461
  423    HB2  ASP  55           1HB      ASP  55   2.119  -6.699  -5.126
  424    HB3  ASP  55           2HB      ASP  55   2.763  -5.517  -3.990
  Start of MODEL   19
    1    H1   ALA   1           H        ALA   1 -13.987   1.509   2.834
    2    HA   ALA   1           HA       ALA   1 -14.993   0.594   0.218
    3    HB1  ALA   1           1HB      ALA   1 -13.367   2.926  -0.068
    4    HB2  ALA   1           2HB      ALA   1 -15.061   2.691  -0.503
    5    HB3  ALA   1           3HB      ALA   1 -14.635   3.242   1.117
    6    H    LYS   2           H        LYS   2 -12.951   1.262  -1.405
    7    HA   LYS   2           HA       LYS   2 -10.545   0.025  -0.259
    8    HB2  LYS   2           1HB      LYS   2 -11.902  -0.758  -2.843
    9    HB3  LYS   2           2HB      LYS   2 -10.276  -1.261  -2.397
   10    HG2  LYS   2           1HG      LYS   2 -11.366  -2.214  -0.280
   11    HG3  LYS   2           2HG      LYS   2 -12.888  -2.035  -1.155
   12    HD2  LYS   2           1HD      LYS   2 -10.692  -3.351  -2.626
   13    HD3  LYS   2           2HD      LYS   2 -11.354  -4.249  -1.258
   14    HE2  LYS   2           1HE      LYS   2 -13.597  -4.036  -2.196
   15    HE3  LYS   2           2HE      LYS   2 -12.955  -3.103  -3.546
   16    HZ1  LYS   2           3HZ      LYS   2 -11.840  -4.965  -4.386
   17    HZ2  LYS   2           1HZ      LYS   2 -13.366  -5.547  -3.947
   18    HZ3  LYS   2           2HZ      LYS   2 -12.030  -5.851  -2.957
   19    H    TYR   3           H        TYR   3  -8.608   0.344  -1.640
   20    HA   TYR   3           HA       TYR   3  -8.764   2.598  -3.485
   21    HB2  TYR   3           1HB      TYR   3  -7.076   2.597  -0.979
   22    HB3  TYR   3           2HB      TYR   3  -6.861   3.732  -2.308
   23    HD1  TYR   3           1HD      TYR   3  -8.568   5.441  -2.769
   24    HD2  TYR   3           2HD      TYR   3  -8.904   2.819   0.566
   25    HE1  TYR   3           1HE      TYR   3 -10.261   6.926  -1.780
   26    HE2  TYR   3           2HE      TYR   3 -10.599   4.296   1.563
   27    HH   TYR   3           HH       TYR   3 -11.941   6.063   1.209
   28    H    THR   4           H        THR   4  -7.526   2.241  -5.201
   29    HA   THR   4           HA       THR   4  -5.501   0.122  -5.047
   30    HB   THR   4           HB       THR   4  -7.284  -0.115  -6.760
   31    HG1  THR   4           1HG      THR   4  -5.794  -0.576  -8.463
   32   HG21  THR   4          3HG2      THR   4  -7.557   2.296  -7.248
   33   HG22  THR   4          1HG2      THR   4  -7.306   1.335  -8.704
   34   HG23  THR   4          2HG2      THR   4  -5.982   2.291  -8.041
   35    H    GLY   5           H        GLY   5  -3.383   0.508  -5.377
   36    HA2  GLY   5           1HA      GLY   5  -2.512   2.972  -6.652
   37    HA3  GLY   5           2HA      GLY   5  -2.102   2.814  -4.950
   38    H    LYS   6           H        LYS   6   0.001   2.384  -4.833
   39    HA   LYS   6           HA       LYS   6   1.041  -0.073  -5.800
   40    HB2  LYS   6           1HB      LYS   6   2.907   1.410  -7.096
   41    HB3  LYS   6           2HB      LYS   6   1.542   0.632  -7.888
   42    HG2  LYS   6           1HG      LYS   6   0.384   2.607  -8.132
   43    HG3  LYS   6           2HG      LYS   6   1.240   3.396  -6.806
   44    HD2  LYS   6           1HD      LYS   6   3.043   2.603  -8.932
   45    HD3  LYS   6           2HD      LYS   6   1.764   3.668  -9.520
   46    HE2  LYS   6           1HE      LYS   6   2.424   4.972  -7.275
   47    HE3  LYS   6           2HE      LYS   6   3.972   4.205  -7.624
   48    HZ1  LYS   6           3HZ      LYS   6   3.083   5.231 -10.023
   49    HZ2  LYS   6           1HZ      LYS   6   4.334   5.836  -9.058
   50    HZ3  LYS   6           2HZ      LYS   6   2.764   6.439  -8.882
   51    H    CYS   7           H        CYS   7   3.228  -0.456  -5.101
   52    HA   CYS   7           HA       CYS   7   4.197   1.489  -3.114
   53    HB2  CYS   7           1HB      CYS   7   5.005  -0.622  -1.852
   54    HB3  CYS   7           2HB      CYS   7   3.306  -0.178  -1.742
   55    HG   CYS   7           HG       CYS   7   3.202  -2.874  -1.936
   56    H    THR   8           H        THR   8   6.445   1.580  -2.798
   57    HA   THR   8           HA       THR   8   7.974   0.730  -5.129
   58    HB   THR   8           HB       THR   8   9.626   2.294  -4.510
   59    HG1  THR   8           1HG      THR   8   8.413   2.770  -1.998
   60   HG21  THR   8          3HG2      THR   8   8.469   4.308  -4.531
   61   HG22  THR   8          1HG2      THR   8   7.205   3.709  -3.458
   62   HG23  THR   8          2HG2      THR   8   7.262   3.176  -5.138
   63    H    LYS   9           H        LYS   9   9.736  -0.613  -5.074
   64    HA   LYS   9           HA       LYS   9   9.808  -2.729  -3.311
   65    HB2  LYS   9           1HB      LYS   9  12.232  -2.992  -4.121
   66    HB3  LYS   9           2HB      LYS   9  10.957  -3.032  -5.331
   67    HG2  LYS   9           1HG      LYS   9  11.430  -0.787  -6.002
   68    HG3  LYS   9           2HG      LYS   9  12.566  -0.577  -4.667
   69    HD2  LYS   9           1HD      LYS   9  12.887  -2.555  -6.923
   70    HD3  LYS   9           2HD      LYS   9  13.692  -0.987  -6.828
   71    HE2  LYS   9           1HE      LYS   9  14.687  -1.729  -4.655
   72    HE3  LYS   9           2HE      LYS   9  14.017  -3.331  -4.960
   73    HZ1  LYS   9           3HZ      LYS   9  15.980  -3.683  -5.949
   74    HZ2  LYS   9           1HZ      LYS   9  16.313  -2.035  -6.144
   75    HZ3  LYS   9           2HZ      LYS   9  15.315  -2.833  -7.253
   76    H    SER  10           H        SER  10  11.482   0.360  -3.112
   77    HA   SER  10           HA       SER  10  13.075  -0.378  -0.849
   78    HB2  SER  10           1HB      SER  10  13.544   2.093  -0.735
   79    HB3  SER  10           2HB      SER  10  13.911   1.353  -2.292
   80    HG   SER  10           HG       SER  10  12.772   3.141  -2.796
   81    H    LYS  11           H        LYS  11   9.944   1.081  -1.346
   82    HA   LYS  11           HA       LYS  11   9.533   1.066   1.567
   83    HB2  LYS  11           1HB      LYS  11   9.607   3.360  -0.065
   84    HB3  LYS  11           2HB      LYS  11   7.909   3.082   0.300
   85    HG2  LYS  11           1HG      LYS  11   8.178   3.479   2.530
   86    HG3  LYS  11           2HG      LYS  11   9.863   2.953   2.534
   87    HD2  LYS  11           1HD      LYS  11   9.414   5.303   0.873
   88    HD3  LYS  11           2HD      LYS  11   8.973   5.565   2.562
   89    HE2  LYS  11           1HE      LYS  11  11.536   4.177   2.063
   90    HE3  LYS  11           2HE      LYS  11  11.466   5.881   1.616
   91    HZ1  LYS  11           3HZ      LYS  11  10.452   5.105   4.249
   92    HZ2  LYS  11           1HZ      LYS  11  11.217   6.534   3.766
   93    HZ3  LYS  11           2HZ      LYS  11  12.128   5.133   4.023
   94    H    ASN  12           H        ASN  12   8.211  -0.636   1.808
   95    HA   ASN  12           HA       ASN  12   6.186  -1.289  -0.130
   96    HB2  ASN  12           1HB      ASN  12   7.288  -3.104   1.020
   97    HB3  ASN  12           2HB      ASN  12   6.832  -2.444   2.589
   98   HD21  ASN  12          2HD2      ASN  12   5.647  -4.128   3.317
   99   HD22  ASN  12          1HD2      ASN  12   4.176  -4.663   2.587
  100    H    GLU  13           H        GLU  13   5.146   0.872   0.059
  101    HA   GLU  13           HA       GLU  13   3.007   0.740   2.052
  102    HB2  GLU  13           1HB      GLU  13   3.227   3.002   2.722
  103    HB3  GLU  13           2HB      GLU  13   4.839   2.306   2.826
  104    HG2  GLU  13           1HG      GLU  13   4.922   3.269   0.323
  105    HG3  GLU  13           2HG      GLU  13   3.793   4.409   1.050
  106    H    CYS  14           H        CYS  14   1.083   1.843   1.451
  107    HA   CYS  14           HA       CYS  14   0.798   2.093  -1.447
  108    HB2  CYS  14           1HB      CYS  14  -0.801   0.628  -0.389
  109    HB3  CYS  14           2HB      CYS  14  -1.241   1.874   0.773
  110    HG   CYS  14           HG       CYS  14  -1.712   2.555  -2.510
  111    H    LYS  15           H        LYS  15   0.968   4.036  -2.325
  112    HA   LYS  15           HA       LYS  15   0.386   6.404  -0.701
  113    HB2  LYS  15           1HB      LYS  15   1.537   7.634  -2.553
  114    HB3  LYS  15           2HB      LYS  15   2.553   6.463  -1.723
  115    HG2  LYS  15           1HG      LYS  15   1.278   5.187  -3.933
  116    HG3  LYS  15           2HG      LYS  15   2.039   6.682  -4.481
  117    HD2  LYS  15           1HD      LYS  15   3.481   4.689  -2.752
  118    HD3  LYS  15           2HD      LYS  15   3.466   4.569  -4.513
  119    HE2  LYS  15           1HE      LYS  15   4.237   7.140  -3.199
  120    HE3  LYS  15           2HE      LYS  15   5.405   5.824  -3.301
  121    HZ1  LYS  15           3HZ      LYS  15   4.583   7.636  -5.317
  122    HZ2  LYS  15           1HZ      LYS  15   4.290   6.045  -5.814
  123    HZ3  LYS  15           2HZ      LYS  15   5.846   6.513  -5.345
  124    H    TYR  16           H        TYR  16  -1.951   5.672  -1.014
  125    HA   TYR  16           HA       TYR  16  -3.048   6.428  -3.613
  126    HB2  TYR  16           1HB      TYR  16  -5.070   5.386  -2.934
  127    HB3  TYR  16           2HB      TYR  16  -3.776   4.332  -2.375
  128    HD1  TYR  16           1HD      TYR  16  -3.069   4.507   0.070
  129    HD2  TYR  16           2HD      TYR  16  -6.662   6.222  -1.431
  130    HE1  TYR  16           1HE      TYR  16  -3.970   4.605   2.356
  131    HE2  TYR  16           2HE      TYR  16  -7.572   6.326   0.851
  132    HH   TYR  16           HH       TYR  16  -7.290   5.446   2.988
  133    H    LYS  17           H        LYS  17  -5.505   7.386  -2.987
  134    HA   LYS  17           HA       LYS  17  -5.004   9.778  -1.349
  135    HB2  LYS  17           1HB      LYS  17  -6.463   9.755  -3.996
  136    HB3  LYS  17           2HB      LYS  17  -6.157  11.161  -2.984
  137    HG2  LYS  17           1HG      LYS  17  -4.157  11.472  -3.885
  138    HG3  LYS  17           2HG      LYS  17  -3.702   9.787  -3.620
  139    HD2  LYS  17           1HD      LYS  17  -4.171   9.204  -5.741
  140    HD3  LYS  17           2HD      LYS  17  -5.634  10.190  -5.788
  141    HE2  LYS  17           1HE      LYS  17  -4.058  12.197  -5.928
  142    HE3  LYS  17           2HE      LYS  17  -2.790  11.026  -6.284
  143    HZ1  LYS  17           3HZ      LYS  17  -3.467  11.444  -8.383
  144    HZ2  LYS  17           1HZ      LYS  17  -5.032  11.894  -7.927
  145    HZ3  LYS  17           2HZ      LYS  17  -4.619  10.257  -8.027
  146    H    ASN  18           H        ASN  18  -6.549  10.223   0.093
  147    HA   ASN  18           HA       ASN  18  -9.154   8.878  -0.217
  148    HB2  ASN  18           1HB      ASN  18  -9.202   8.296   2.019
  149    HB3  ASN  18           2HB      ASN  18  -7.481   8.146   1.678
  150   HD21  ASN  18          2HD2      ASN  18  -6.283  10.316   1.969
  151   HD22  ASN  18          1HD2      ASN  18  -6.639  11.158   3.436
  152    H    ASP  19           H        ASP  19 -10.880   9.962   1.185
  153    HA   ASP  19           HA       ASP  19 -12.125  11.787   1.756
  154    HB2  ASP  19           1HB      ASP  19  -9.871  12.476   2.843
  155    HB3  ASP  19           2HB      ASP  19  -9.716  13.560   1.463
  156    H    ALA  20           H        ALA  20  -9.684  13.210  -0.416
  157    HA   ALA  20           HA       ALA  20 -11.242  13.185  -2.738
  158    HB1  ALA  20           1HB      ALA  20 -12.798  14.646  -1.741
  159    HB2  ALA  20           2HB      ALA  20 -11.528  15.660  -1.058
  160    HB3  ALA  20           3HB      ALA  20 -11.810  15.654  -2.799
  161    H    GLY  21           H        GLY  21  -8.800  12.558  -2.799
  162    HA2  GLY  21           1HA      GLY  21  -6.979  13.100  -4.182
  163    HA3  GLY  21           2HA      GLY  21  -7.444  14.792  -4.094
  164    H    LYS  22           H        LYS  22  -7.327  13.084  -1.122
  165    HA   LYS  22           HA       LYS  22  -5.174  14.754  -0.191
  166    HB2  LYS  22           1HB      LYS  22  -7.339  13.692   1.034
  167    HB3  LYS  22           2HB      LYS  22  -6.116  12.517   1.502
  168    HG2  LYS  22           1HG      LYS  22  -4.822  14.838   2.025
  169    HG3  LYS  22           2HG      LYS  22  -6.494  15.295   2.360
  170    HD2  LYS  22           1HD      LYS  22  -6.614  13.150   3.746
  171    HD3  LYS  22           2HD      LYS  22  -4.853  13.122   3.631
  172    HE2  LYS  22           1HE      LYS  22  -4.796  15.396   4.605
  173    HE3  LYS  22           2HE      LYS  22  -6.548  15.329   4.796
  174    HZ1  LYS  22           3HZ      LYS  22  -6.031  14.537   6.813
  175    HZ2  LYS  22           1HZ      LYS  22  -4.470  14.064   6.363
  176    HZ3  LYS  22           2HZ      LYS  22  -5.790  13.068   6.010
  177    H    ASP  23           H        ASP  23  -3.577  13.478   1.391
  178    HA   ASP  23           HA       ASP  23  -2.353  11.353  -0.245
  179    HB2  ASP  23           1HB      ASP  23  -0.881  13.173   1.661
  180    HB3  ASP  23           2HB      ASP  23  -0.195  12.109   0.436
  181    H    THR  24           H        THR  24  -2.057   9.422   0.663
  182    HA   THR  24           HA       THR  24  -1.937   9.186   3.576
  183    HB   THR  24           HB       THR  24  -3.884   7.622   1.868
  184    HG1  THR  24           1HG      THR  24  -4.470   9.820   2.548
  185   HG21  THR  24          3HG2      THR  24  -3.057   7.351   4.749
  186   HG22  THR  24          1HG2      THR  24  -3.085   6.110   3.496
  187   HG23  THR  24          2HG2      THR  24  -4.598   6.737   4.149
  188    H    PHE  25           H        PHE  25  -0.393   7.814   4.187
  189    HA   PHE  25           HA       PHE  25   0.482   5.744   2.287
  190    HB2  PHE  25           1HB      PHE  25   2.297   7.390   4.062
  191    HB3  PHE  25           2HB      PHE  25   2.800   6.131   2.937
  192    HD1  PHE  25           2HD      PHE  25   1.261   9.486   3.156
  193    HD2  PHE  25           1HD      PHE  25   3.176   6.608   0.671
  194    HE1  PHE  25           2HE      PHE  25   1.474  11.170   1.374
  195    HE2  PHE  25           1HE      PHE  25   3.392   8.288  -1.114
  196    HZ   PHE  25           HZ       PHE  25   2.539  10.572  -0.764
  197    H    ILE  26           H        ILE  26   0.261   3.781   3.110
  198    HA   ILE  26           HA       ILE  26   0.740   3.376   5.980
  199    HB   ILE  26           HB       ILE  26  -1.647   3.435   5.823
  200   HG12  ILE  26          1HG1      ILE  26  -2.234   1.173   6.549
  201   HG13  ILE  26          2HG1      ILE  26  -0.752   0.544   5.837
  202   HG21  ILE  26          1HG2      ILE  26  -2.309   1.279   4.128
  203   HG22  ILE  26          2HG2      ILE  26  -2.675   2.990   3.909
  204   HG23  ILE  26          3HG2      ILE  26  -1.190   2.314   3.241
  205   HD11  ILE  26          3HD1      ILE  26  -0.723   0.853   8.321
  206   HD12  ILE  26          1HD1      ILE  26   0.588   1.644   7.446
  207   HD13  ILE  26          2HD1      ILE  26  -0.780   2.592   8.033
  208    H    LYS  27           H        LYS  27   2.477   2.109   6.032
  209    HA   LYS  27           HA       LYS  27   3.354   0.417   3.988
  210    HB2  LYS  27           1HB      LYS  27   4.132   1.048   6.709
  211    HB3  LYS  27           2HB      LYS  27   4.363  -0.661   6.363
  212    HG2  LYS  27           1HG      LYS  27   6.255  -0.174   5.333
  213    HG3  LYS  27           2HG      LYS  27   5.351   0.763   4.141
  214    HD2  LYS  27           1HD      LYS  27   6.760   2.384   4.925
  215    HD3  LYS  27           2HD      LYS  27   5.414   2.589   6.048
  216    HE2  LYS  27           1HE      LYS  27   6.780   0.760   7.407
  217    HE3  LYS  27           2HE      LYS  27   8.122   1.456   6.499
  218    HZ1  LYS  27           3HZ      LYS  27   7.493   3.642   7.350
  219    HZ2  LYS  27           1HZ      LYS  27   7.853   2.571   8.610
  220    HZ3  LYS  27           2HZ      LYS  27   6.243   2.946   8.252
  221    H    CYS  28           H        CYS  28   2.421  -1.357   3.236
  222    HA   CYS  28           HA       CYS  28   0.296  -2.716   4.366
  223    HB2  CYS  28           1HB      CYS  28   2.383  -3.919   2.536
  224    HB3  CYS  28           2HB      CYS  28   0.731  -4.483   2.759
  225    HG   CYS  28           HG       CYS  28   1.875  -2.304   0.615
  226    HA   PRO  29           HA       PRO  29   1.894  -5.252   7.572
  227    HB2  PRO  29           1HB      PRO  29   0.254  -7.408   7.390
  228    HB3  PRO  29           2HB      PRO  29  -0.281  -5.844   8.017
  229    HG2  PRO  29           1HG      PRO  29  -0.657  -7.020   5.290
  230    HG3  PRO  29           2HG      PRO  29  -1.819  -6.139   6.299
  231    HD2  PRO  29           1HD      PRO  29  -0.491  -4.971   4.249
  232    HD3  PRO  29           2HD      PRO  29  -0.961  -4.083   5.713
  233    H    LYS  30           H        LYS  30   3.921  -5.545   6.293
  234    HA   LYS  30           HA       LYS  30   4.331  -8.385   5.786
  235    HB2  LYS  30           1HB      LYS  30   5.103  -6.263   3.774
  236    HB3  LYS  30           2HB      LYS  30   5.501  -7.972   3.666
  237    HG2  LYS  30           1HG      LYS  30   2.691  -6.900   3.715
  238    HG3  LYS  30           2HG      LYS  30   3.591  -7.266   2.242
  239    HD2  LYS  30           1HD      LYS  30   3.506  -9.534   2.591
  240    HD3  LYS  30           2HD      LYS  30   3.371  -9.367   4.343
  241    HE2  LYS  30           1HE      LYS  30   1.076  -8.157   3.410
  242    HE3  LYS  30           2HE      LYS  30   1.291  -9.518   2.309
  243    HZ1  LYS  30           3HZ      LYS  30  -0.032 -10.156   4.213
  244    HZ2  LYS  30           1HZ      LYS  30   1.196  -9.676   5.273
  245    HZ3  LYS  30           2HZ      LYS  30   1.441 -10.987   4.233
  246    H    PHE  31           H        PHE  31   5.265  -7.565   7.990
  247    HA   PHE  31           HA       PHE  31   7.870  -6.310   7.733
  248    HB2  PHE  31           1HB      PHE  31   6.674  -7.459  10.251
  249    HB3  PHE  31           2HB      PHE  31   7.905  -6.208  10.106
  250    HD1  PHE  31           1HD      PHE  31   7.274  -3.944   9.330
  251    HD2  PHE  31           2HD      PHE  31   4.367  -6.939  10.160
  252    HE1  PHE  31           1HE      PHE  31   5.529  -2.213   9.445
  253    HE2  PHE  31           2HE      PHE  31   2.617  -5.214  10.276
  254    HZ   PHE  31           HZ       PHE  31   3.197  -2.848   9.917
  255    H    ASP  32           H        ASP  32   9.282  -7.688   6.776
  256    HA   ASP  32           HA       ASP  32  10.682  -9.460   6.494
  257    HB2  ASP  32           1HB      ASP  32  11.154  -8.735   8.923
  258    HB3  ASP  32           2HB      ASP  32  10.218 -10.154   9.387
  259    H    ASN  33           H        ASN  33   8.873 -10.362   5.199
  260    HA   ASN  33           HA       ASN  33   8.524 -13.091   5.710
  261    HB2  ASN  33           1HB      ASN  33   6.807 -11.658   7.289
  262    HB3  ASN  33           2HB      ASN  33   5.811 -11.964   5.870
  263   HD21  ASN  33          2HD2      ASN  33   7.182 -13.262   8.696
  264   HD22  ASN  33          1HD2      ASN  33   6.608 -14.881   8.514
  265    H    LYS  34           H        LYS  34   6.883 -10.290   4.259
  266    HA   LYS  34           HA       LYS  34   7.240 -11.404   1.622
  267    HB2  LYS  34           1HB      LYS  34   4.553 -11.262   2.939
  268    HB3  LYS  34           2HB      LYS  34   4.684 -11.008   1.203
  269    HG2  LYS  34           1HG      LYS  34   4.498 -13.215   1.019
  270    HG3  LYS  34           2HG      LYS  34   6.160 -13.293   1.607
  271    HD2  LYS  34           1HD      LYS  34   5.539 -14.022   3.661
  272    HD3  LYS  34           2HD      LYS  34   4.054 -13.066   3.668
  273    HE2  LYS  34           1HE      LYS  34   2.903 -14.659   2.371
  274    HE3  LYS  34           2HE      LYS  34   4.393 -15.481   1.912
  275    HZ1  LYS  34           3HZ      LYS  34   2.720 -15.987   4.115
  276    HZ2  LYS  34           1HZ      LYS  34   4.240 -15.517   4.691
  277    HZ3  LYS  34           2HZ      LYS  34   4.106 -16.826   3.628
  278    H    LYS  35           H        LYS  35   8.490  -9.258   2.249
  279    HA   LYS  35           HA       LYS  35   6.952  -6.844   1.955
  280    HB2  LYS  35           1HB      LYS  35   9.645  -7.554   2.701
  281    HB3  LYS  35           2HB      LYS  35   9.668  -6.272   1.498
  282    HG2  LYS  35           1HG      LYS  35   7.708  -5.462   3.258
  283    HG3  LYS  35           2HG      LYS  35   8.934  -6.183   4.303
  284    HD2  LYS  35           1HD      LYS  35  10.505  -4.738   2.656
  285    HD3  LYS  35           2HD      LYS  35   9.045  -3.745   2.640
  286    HE2  LYS  35           1HE      LYS  35   9.801  -2.852   4.541
  287    HE3  LYS  35           2HE      LYS  35   9.363  -4.378   5.307
  288    HZ1  LYS  35           3HZ      LYS  35  12.016  -3.867   4.083
  289    HZ2  LYS  35           1HZ      LYS  35  11.568  -5.175   5.057
  290    HZ3  LYS  35           2HZ      LYS  35  11.683  -3.625   5.725
  291    H    CYS  36           H        CYS  36   6.385  -5.890   0.115
  292    HA   CYS  36           HA       CYS  36   6.730  -7.005  -2.394
  293    HB2  CYS  36           1HB      CYS  36   5.716  -4.479  -1.321
  294    HB3  CYS  36           2HB      CYS  36   6.398  -4.316  -2.935
  295    HG   CYS  36           HG       CYS  36   4.217  -6.851  -2.416
  296    H    THR  37           H        THR  37   8.176  -6.784  -4.034
  297    HA   THR  37           HA       THR  37  10.447  -4.962  -3.643
  298    HB   THR  37           HB       THR  37  11.287  -7.085  -2.897
  299    HG1  THR  37           1HG      THR  37  13.026  -6.685  -4.019
  300   HG21  THR  37          3HG2      THR  37   9.501  -8.145  -4.810
  301   HG22  THR  37          1HG2      THR  37  10.511  -9.026  -3.666
  302   HG23  THR  37          2HG2      THR  37  11.120  -8.660  -5.280
  303    H    LYS  38           H        LYS  38   8.693  -4.020  -5.248
  304    HA   LYS  38           HA       LYS  38   9.889  -4.175  -7.854
  305    HB2  LYS  38           1HB      LYS  38   7.755  -5.908  -7.359
  306    HB3  LYS  38           2HB      LYS  38   7.039  -4.562  -8.235
  307    HG2  LYS  38           1HG      LYS  38   9.560  -5.719  -9.289
  308    HG3  LYS  38           2HG      LYS  38   8.071  -6.648  -9.477
  309    HD2  LYS  38           1HD      LYS  38   7.034  -4.899 -10.704
  310    HD3  LYS  38           2HD      LYS  38   8.315  -3.758 -10.288
  311    HE2  LYS  38           1HE      LYS  38   9.643  -4.474 -11.946
  312    HE3  LYS  38           2HE      LYS  38   9.276  -6.169 -11.630
  313    HZ1  LYS  38           3HZ      LYS  38   6.973  -5.338 -12.682
  314    HZ2  LYS  38           1HZ      LYS  38   8.229  -6.010 -13.594
  315    HZ3  LYS  38           2HZ      LYS  38   8.053  -4.331 -13.507
  316    H    ASP  39           H        ASP  39  10.105  -2.086  -8.291
  317    HA   ASP  39           HA       ASP  39   8.789   0.032  -7.137
  318    HB2  ASP  39           1HB      ASP  39  10.828  -0.130  -8.851
  319    HB3  ASP  39           2HB      ASP  39   9.570   0.329  -9.996
  320    H    ASN  40           H        ASN  40   6.827   0.903  -7.291
  321    HA   ASN  40           HA       ASN  40   4.698   1.326  -7.970
  322    HB2  ASN  40           1HB      ASN  40   6.131   0.926 -10.560
  323    HB3  ASN  40           2HB      ASN  40   4.372   1.009 -10.581
  324   HD21  ASN  40          2HD2      ASN  40   6.723   2.711  -8.562
  325   HD22  ASN  40          1HD2      ASN  40   6.258   4.300  -9.056
  326    H    ASN  41           H        ASN  41   5.278  -1.238  -6.962
  327    HA   ASN  41           HA       ASN  41   4.282  -3.358  -8.498
  328    HB2  ASN  41           1HB      ASN  41   5.217  -2.982  -5.855
  329    HB3  ASN  41           2HB      ASN  41   3.630  -3.736  -5.724
  330   HD21  ASN  41          2HD2      ASN  41   6.078  -4.937  -5.004
  331   HD22  ASN  41          1HD2      ASN  41   6.321  -6.305  -6.031
  332    H    LYS  42           H        LYS  42   2.264  -4.575  -7.144
  333    HA   LYS  42           HA       LYS  42  -0.003  -2.760  -7.623
  334    HB2  LYS  42           1HB      LYS  42   0.522  -5.180  -8.797
  335    HB3  LYS  42           2HB      LYS  42  -0.567  -5.640  -7.495
  336    HG2  LYS  42           1HG      LYS  42  -2.347  -4.600  -8.426
  337    HG3  LYS  42           2HG      LYS  42  -1.366  -3.314  -9.133
  338    HD2  LYS  42           1HD      LYS  42  -1.566  -4.355 -11.092
  339    HD3  LYS  42           2HD      LYS  42  -0.555  -5.644 -10.435
  340    HE2  LYS  42           1HE      LYS  42  -2.570  -6.771  -9.592
  341    HE3  LYS  42           2HE      LYS  42  -3.565  -5.492 -10.288
  342    HZ1  LYS  42           3HZ      LYS  42  -1.922  -6.422 -12.318
  343    HZ2  LYS  42           1HZ      LYS  42  -3.591  -6.644 -12.162
  344    HZ3  LYS  42           2HZ      LYS  42  -2.523  -7.797 -11.538
  345    H    CYS  43           H        CYS  43  -0.713  -1.964  -5.748
  346    HA   CYS  43           HA       CYS  43  -1.234  -3.861  -3.562
  347    HB2  CYS  43           1HB      CYS  43  -0.403  -2.392  -1.920
  348    HB3  CYS  43           2HB      CYS  43   0.804  -2.349  -3.199
  349    HG   CYS  43           HG       CYS  43  -1.074   0.023  -4.077
  350    H    THR  44           H        THR  44  -2.977  -3.279  -2.155
  351    HA   THR  44           HA       THR  44  -4.715  -1.100  -3.006
  352    HB   THR  44           HB       THR  44  -6.707  -2.628  -3.049
  353    HG1  THR  44           1HG      THR  44  -6.373  -4.815  -3.161
  354   HG21  THR  44          3HG2      THR  44  -4.535  -2.969  -5.111
  355   HG22  THR  44          1HG2      THR  44  -5.885  -1.836  -5.141
  356   HG23  THR  44          2HG2      THR  44  -6.181  -3.564  -5.331
  357    H    VAL  45           H        VAL  45  -5.269  -0.052  -1.221
  358    HA   VAL  45           HA       VAL  45  -5.231  -1.436   1.347
  359    HB   VAL  45           HB       VAL  45  -5.456   1.491   0.645
  360   HG11  VAL  45          1HG1      VAL  45  -6.699   1.392   2.597
  361   HG12  VAL  45          2HG1      VAL  45  -5.735   0.073   3.267
  362   HG13  VAL  45          3HG1      VAL  45  -5.072   1.707   3.199
  363   HG21  VAL  45          3HG2      VAL  45  -3.276   0.175   2.226
  364   HG22  VAL  45          1HG2      VAL  45  -3.242   0.184   0.463
  365   HG23  VAL  45          2HG2      VAL  45  -3.247   1.707   1.352
  366    H    ASP  46           H        ASP  46  -6.978  -1.630   2.702
  367    HA   ASP  46           HA       ASP  46  -9.596  -1.014   1.501
  368    HB2  ASP  46           1HB      ASP  46  -8.899  -3.457   1.966
  369    HB3  ASP  46           2HB      ASP  46  -9.155  -3.061   3.663
  370    H    THR  47           H        THR  47 -10.855   0.413   2.496
  371    HA   THR  47           HA       THR  47  -9.995   1.573   5.002
  372    HB   THR  47           HB       THR  47 -12.472   2.691   4.341
  373    HG1  THR  47           1HG      THR  47 -12.391   3.021   2.149
  374   HG21  THR  47          3HG2      THR  47 -11.128   4.639   3.687
  375   HG22  THR  47          1HG2      THR  47  -9.686   3.625   3.636
  376   HG23  THR  47          2HG2      THR  47 -10.517   3.901   5.167
  377    H    TYR  48           H        TYR  48 -12.001  -0.960   4.090
  378    HA   TYR  48           HA       TYR  48 -14.199  -0.823   5.748
  379    HB2  TYR  48           1HB      TYR  48 -14.104  -2.630   4.233
  380    HB3  TYR  48           2HB      TYR  48 -12.537  -3.162   4.832
  381    HD1  TYR  48           2HD      TYR  48 -15.580  -2.298   6.788
  382    HD2  TYR  48           1HD      TYR  48 -12.934  -5.369   5.498
  383    HE1  TYR  48           2HE      TYR  48 -16.701  -3.888   8.293
  384    HE2  TYR  48           1HE      TYR  48 -14.047  -6.968   6.998
  385    HH   TYR  48           HH       TYR  48 -17.016  -6.373   8.439
  386    H    ASN  49           H        ASN  49 -11.087  -2.382   6.538
  387    HA   ASN  49           HA       ASN  49 -11.271  -1.458   9.269
  388    HB2  ASN  49           1HB      ASN  49 -12.616  -3.654   9.051
  389    HB3  ASN  49           2HB      ASN  49 -11.047  -4.433   8.874
  390   HD21  ASN  49          2HD2      ASN  49 -10.236  -5.203  10.672
  391   HD22  ASN  49          1HD2      ASN  49 -10.524  -4.600  12.264
  392    H    ASN  50           H        ASN  50  -9.444  -0.926   7.206
  393    HA   ASN  50           HA       ASN  50  -7.209  -0.779   6.811
  394    HB2  ASN  50           1HB      ASN  50  -7.369  -1.499   9.692
  395    HB3  ASN  50           2HB      ASN  50  -5.797  -1.656   8.915
  396   HD21  ASN  50          2HD2      ASN  50  -5.660   0.398   7.229
  397   HD22  ASN  50          1HD2      ASN  50  -5.777   1.904   8.067
  398    H    ALA  51           H        ALA  51  -7.797  -2.588   5.277
  399    HA   ALA  51           HA       ALA  51  -6.082  -4.905   5.861
  400    HB1  ALA  51           1HB      ALA  51  -8.777  -5.031   4.513
  401    HB2  ALA  51           2HB      ALA  51  -7.671  -6.386   4.746
  402    HB3  ALA  51           3HB      ALA  51  -8.407  -5.598   6.142
  403    H    VAL  52           H        VAL  52  -4.466  -3.807   4.629
  404    HA   VAL  52           HA       VAL  52  -5.003  -3.315   1.812
  405    HB   VAL  52           HB       VAL  52  -3.633  -1.699   3.054
  406   HG11  VAL  52          1HG1      VAL  52  -2.544  -3.793   4.333
  407   HG12  VAL  52          2HG1      VAL  52  -1.286  -3.489   3.134
  408   HG13  VAL  52          3HG1      VAL  52  -1.778  -2.207   4.242
  409   HG21  VAL  52          3HG2      VAL  52  -3.310  -1.904   0.656
  410   HG22  VAL  52          1HG2      VAL  52  -1.775  -1.551   1.449
  411   HG23  VAL  52          2HG2      VAL  52  -2.129  -3.190   0.904
  412    H    ASP  53           H        ASP  53  -4.012  -4.386   0.112
  413    HA   ASP  53           HA       ASP  53  -3.018  -7.063   0.772
  414    HB2  ASP  53           1HB      ASP  53  -4.225  -5.868  -1.716
  415    HB3  ASP  53           2HB      ASP  53  -3.381  -7.414  -1.750
  416    H    CYS  54           H        CYS  54  -1.541  -7.810  -1.291
  417    HA   CYS  54           HA       CYS  54   0.463  -5.783  -1.874
  418    HB2  CYS  54           1HB      CYS  54   2.301  -6.951  -0.925
  419    HB3  CYS  54           2HB      CYS  54   1.067  -6.887   0.328
  420    HG   CYS  54           HG       CYS  54   2.445  -9.527  -1.167
  421    H    ASP  55           H        ASP  55   1.864  -6.341  -3.595
  422    HA   ASP  55           HA       ASP  55   0.671  -7.886  -5.626
  423    HB2  ASP  55           1HB      ASP  55   2.359  -5.937  -5.820
  424    HB3  ASP  55           2HB      ASP  55   3.593  -7.173  -5.599
  Start of MODEL   20
    1    H1   ALA   1           H        ALA   1 -14.357   0.634   2.167
    2    HA   ALA   1           HA       ALA   1 -15.059   0.440  -0.598
    3    HB1  ALA   1           1HB      ALA   1 -14.401   2.673  -1.289
    4    HB2  ALA   1           2HB      ALA   1 -15.756   2.753  -0.162
    5    HB3  ALA   1           3HB      ALA   1 -14.125   3.132   0.391
    6    H    LYS   2           H        LYS   2 -13.270   0.145  -1.929
    7    HA   LYS   2           HA       LYS   2 -10.750  -0.288  -0.488
    8    HB2  LYS   2           1HB      LYS   2 -11.943  -1.471  -2.975
    9    HB3  LYS   2           2HB      LYS   2 -10.208  -1.556  -2.698
   10    HG2  LYS   2           1HG      LYS   2 -10.412  -3.030  -0.973
   11    HG3  LYS   2           2HG      LYS   2 -12.010  -2.439  -0.511
   12    HD2  LYS   2           1HD      LYS   2 -13.047  -3.593  -2.315
   13    HD3  LYS   2           2HD      LYS   2 -11.489  -3.970  -3.053
   14    HE2  LYS   2           1HE      LYS   2 -10.974  -5.260  -0.919
   15    HE3  LYS   2           2HE      LYS   2 -12.688  -5.100  -0.538
   16    HZ1  LYS   2           3HZ      LYS   2 -12.130  -6.073  -3.201
   17    HZ2  LYS   2           1HZ      LYS   2 -13.246  -6.626  -2.056
   18    HZ3  LYS   2           2HZ      LYS   2 -11.629  -7.110  -1.962
   19    H    TYR   3           H        TYR   3  -8.742   0.035  -1.876
   20    HA   TYR   3           HA       TYR   3  -8.929   2.140  -3.856
   21    HB2  TYR   3           1HB      TYR   3  -7.594   2.572  -1.181
   22    HB3  TYR   3           2HB      TYR   3  -7.281   3.578  -2.591
   23    HD1  TYR   3           1HD      TYR   3  -9.115   4.970  -3.541
   24    HD2  TYR   3           2HD      TYR   3  -9.563   2.855   0.124
   25    HE1  TYR   3           1HE      TYR   3 -11.051   6.376  -2.974
   26    HE2  TYR   3           2HE      TYR   3 -11.502   4.254   0.700
   27    HH   TYR   3           HH       TYR   3 -12.394   7.038  -1.213
   28    H    THR   4           H        THR   4  -7.483   1.758  -5.392
   29    HA   THR   4           HA       THR   4  -5.294  -0.103  -4.834
   30    HB   THR   4           HB       THR   4  -6.095   0.922  -7.553
   31    HG1  THR   4           1HG      THR   4  -7.862  -0.209  -7.332
   32   HG21  THR   4          3HG2      THR   4  -3.996  -0.178  -7.607
   33   HG22  THR   4          1HG2      THR   4  -5.174  -1.348  -8.198
   34   HG23  THR   4          2HG2      THR   4  -4.563  -1.470  -6.549
   35    H    GLY   5           H        GLY   5  -3.144   0.327  -5.495
   36    HA2  GLY   5           1HA      GLY   5  -2.433   2.955  -6.460
   37    HA3  GLY   5           2HA      GLY   5  -2.006   2.676  -4.779
   38    H    LYS   6           H        LYS   6   0.157   2.519  -4.826
   39    HA   LYS   6           HA       LYS   6   1.339   0.173  -5.959
   40    HB2  LYS   6           1HB      LYS   6   3.084   1.893  -7.124
   41    HB3  LYS   6           2HB      LYS   6   1.771   1.093  -7.976
   42    HG2  LYS   6           1HG      LYS   6   0.354   3.049  -7.650
   43    HG3  LYS   6           2HG      LYS   6   1.657   3.852  -6.773
   44    HD2  LYS   6           1HD      LYS   6   1.591   4.643  -9.063
   45    HD3  LYS   6           2HD      LYS   6   3.067   3.714  -8.790
   46    HE2  LYS   6           1HE      LYS   6   2.536   2.373 -10.477
   47    HE3  LYS   6           2HE      LYS   6   1.048   1.915  -9.648
   48    HZ1  LYS   6           3HZ      LYS   6   1.422   3.651 -11.899
   49    HZ2  LYS   6           1HZ      LYS   6   0.473   4.355 -10.688
   50    HZ3  LYS   6           2HZ      LYS   6   0.022   2.870 -11.359
   51    H    CYS   7           H        CYS   7   3.267  -0.341  -4.989
   52    HA   CYS   7           HA       CYS   7   4.094   1.443  -2.814
   53    HB2  CYS   7           1HB      CYS   7   4.509  -1.515  -3.258
   54    HB3  CYS   7           2HB      CYS   7   5.264  -0.618  -1.946
   55    HG   CYS   7           HG       CYS   7   2.217  -1.883  -2.143
   56    H    THR   8           H        THR   8   6.525   1.141  -2.247
   57    HA   THR   8           HA       THR   8   8.066   1.408  -4.747
   58    HB   THR   8           HB       THR   8   9.373   3.113  -3.823
   59    HG1  THR   8           1HG      THR   8   9.750   3.319  -1.715
   60   HG21  THR   8          3HG2      THR   8   7.862   4.815  -3.358
   61   HG22  THR   8          1HG2      THR   8   6.801   3.759  -2.429
   62   HG23  THR   8          2HG2      THR   8   6.852   3.631  -4.188
   63    H    LYS   9           H        LYS   9   9.899   0.251  -4.977
   64    HA   LYS   9           HA       LYS   9  10.377  -2.007  -3.406
   65    HB2  LYS   9           1HB      LYS   9  12.617  -2.043  -4.610
   66    HB3  LYS   9           2HB      LYS   9  11.182  -2.041  -5.628
   67    HG2  LYS   9           1HG      LYS   9  11.886  -0.222  -6.668
   68    HG3  LYS   9           2HG      LYS   9  11.976   0.655  -5.139
   69    HD2  LYS   9           1HD      LYS   9  14.141   0.691  -6.191
   70    HD3  LYS   9           2HD      LYS   9  14.219  -0.339  -4.760
   71    HE2  LYS   9           1HE      LYS   9  15.093  -1.908  -6.076
   72    HE3  LYS   9           2HE      LYS   9  13.493  -2.069  -6.799
   73    HZ1  LYS   9           3HZ      LYS   9  15.697  -1.468  -8.177
   74    HZ2  LYS   9           1HZ      LYS   9  15.118   0.089  -7.848
   75    HZ3  LYS   9           2HZ      LYS   9  14.138  -1.024  -8.662
   76    H    SER  10           H        SER  10  11.344   1.260  -2.966
   77    HA   SER  10           HA       SER  10  13.385   0.502  -1.002
   78    HB2  SER  10           1HB      SER  10  14.046   2.865  -1.042
   79    HB3  SER  10           2HB      SER  10  14.026   2.196  -2.674
   80    HG   SER  10           HG       SER  10  12.890   3.982  -2.965
   81    H    LYS  11           H        LYS  11  10.303   0.498  -0.804
   82    HA   LYS  11           HA       LYS  11  10.148   1.116   1.938
   83    HB2  LYS  11           1HB      LYS  11   9.949   3.386   0.345
   84    HB3  LYS  11           2HB      LYS  11   8.278   2.982   0.716
   85    HG2  LYS  11           1HG      LYS  11   8.583   3.263   3.000
   86    HG3  LYS  11           2HG      LYS  11  10.338   3.108   2.882
   87    HD2  LYS  11           1HD      LYS  11   9.298   5.324   1.309
   88    HD3  LYS  11           2HD      LYS  11   8.914   5.469   3.027
   89    HE2  LYS  11           1HE      LYS  11  11.434   4.832   3.333
   90    HE3  LYS  11           2HE      LYS  11  11.574   5.396   1.669
   91    HZ1  LYS  11           3HZ      LYS  11  11.224   7.527   2.265
   92    HZ2  LYS  11           1HZ      LYS  11  11.804   6.997   3.763
   93    HZ3  LYS  11           2HZ      LYS  11  10.139   7.138   3.504
   94    H    ASN  12           H        ASN  12   8.923  -0.583   2.440
   95    HA   ASN  12           HA       ASN  12   6.775  -1.450   0.706
   96    HB2  ASN  12           1HB      ASN  12   8.149  -3.157   1.738
   97    HB3  ASN  12           2HB      ASN  12   7.796  -2.524   3.343
   98   HD21  ASN  12          2HD2      ASN  12   6.294  -3.555   4.427
   99   HD22  ASN  12          1HD2      ASN  12   5.013  -4.499   3.751
  100    H    GLU  13           H        GLU  13   5.548   0.568   0.966
  101    HA   GLU  13           HA       GLU  13   3.781   0.390   3.304
  102    HB2  GLU  13           1HB      GLU  13   3.753   2.784   3.582
  103    HB3  GLU  13           2HB      GLU  13   5.419   2.228   3.649
  104    HG2  GLU  13           1HG      GLU  13   5.102   2.800   0.994
  105    HG3  GLU  13           2HG      GLU  13   4.118   4.038   1.774
  106    H    CYS  14           H        CYS  14   1.650   0.649   2.877
  107    HA   CYS  14           HA       CYS  14   0.777   0.491   0.180
  108    HB2  CYS  14           1HB      CYS  14  -0.327  -0.011   2.717
  109    HB3  CYS  14           2HB      CYS  14  -1.346   1.226   1.992
  110    HG   CYS  14           HG       CYS  14  -1.892  -0.280  -0.314
  111    H    LYS  15           H        LYS  15   0.891   2.177  -1.151
  112    HA   LYS  15           HA       LYS  15   0.224   4.849  -0.121
  113    HB2  LYS  15           1HB      LYS  15   2.326   5.024  -1.096
  114    HB3  LYS  15           2HB      LYS  15   1.944   3.875  -2.371
  115    HG2  LYS  15           1HG      LYS  15   2.160   6.147  -3.231
  116    HG3  LYS  15           2HG      LYS  15   0.527   5.517  -3.460
  117    HD2  LYS  15           1HD      LYS  15   0.520   6.771  -0.951
  118    HD3  LYS  15           2HD      LYS  15   1.398   7.858  -2.031
  119    HE2  LYS  15           1HE      LYS  15  -1.197   6.640  -2.890
  120    HE3  LYS  15           2HE      LYS  15  -1.185   8.052  -1.834
  121    HZ1  LYS  15           3HZ      LYS  15   0.428   8.093  -4.288
  122    HZ2  LYS  15           1HZ      LYS  15  -0.304   9.375  -3.461
  123    HZ3  LYS  15           2HZ      LYS  15  -1.242   8.332  -4.404
  124    H    TYR  16           H        TYR  16  -1.864   5.301  -0.400
  125    HA   TYR  16           HA       TYR  16  -3.015   4.913  -3.071
  126    HB2  TYR  16           1HB      TYR  16  -5.095   4.092  -2.167
  127    HB3  TYR  16           2HB      TYR  16  -3.788   3.079  -1.566
  128    HD1  TYR  16           2HD      TYR  16  -2.868   3.661   0.787
  129    HD2  TYR  16           1HD      TYR  16  -6.624   5.019  -0.678
  130    HE1  TYR  16           2HE      TYR  16  -3.617   4.057   3.095
  131    HE2  TYR  16           1HE      TYR  16  -7.383   5.422   1.626
  132    HH   TYR  16           HH       TYR  16  -6.901   4.773   3.864
  133    H    LYS  17           H        LYS  17  -5.222   6.111  -3.161
  134    HA   LYS  17           HA       LYS  17  -4.828   8.754  -1.923
  135    HB2  LYS  17           1HB      LYS  17  -5.822   7.887  -4.598
  136    HB3  LYS  17           2HB      LYS  17  -6.481   9.364  -3.906
  137    HG2  LYS  17           1HG      LYS  17  -4.383  10.418  -3.886
  138    HG3  LYS  17           2HG      LYS  17  -3.527   8.898  -4.149
  139    HD2  LYS  17           1HD      LYS  17  -4.013   8.854  -6.391
  140    HD3  LYS  17           2HD      LYS  17  -5.496   9.792  -6.196
  141    HE2  LYS  17           1HE      LYS  17  -4.357  11.571  -6.895
  142    HE3  LYS  17           2HE      LYS  17  -3.458  11.504  -5.381
  143    HZ1  LYS  17           3HZ      LYS  17  -2.538  11.023  -8.004
  144    HZ2  LYS  17           1HZ      LYS  17  -2.318   9.627  -7.074
  145    HZ3  LYS  17           2HZ      LYS  17  -1.650  11.095  -6.566
  146    H    ASN  18           H        ASN  18  -6.247   9.344  -0.429
  147    HA   ASN  18           HA       ASN  18  -8.877   8.018  -0.393
  148    HB2  ASN  18           1HB      ASN  18  -8.860   8.030   1.922
  149    HB3  ASN  18           2HB      ASN  18  -7.149   7.802   1.573
  150   HD21  ASN  18          2HD2      ASN  18  -5.909   9.908   1.349
  151   HD22  ASN  18          1HD2      ASN  18  -6.248  11.122   2.531
  152    H    ASP  19           H        ASP  19 -10.631   9.361   0.623
  153    HA   ASP  19           HA       ASP  19 -11.916  11.243   0.742
  154    HB2  ASP  19           1HB      ASP  19  -9.699  12.204   1.693
  155    HB3  ASP  19           2HB      ASP  19  -9.531  12.957   0.109
  156    H    ALA  20           H        ALA  20  -9.436  12.167  -1.645
  157    HA   ALA  20           HA       ALA  20 -11.027  11.627  -3.912
  158    HB1  ALA  20           1HB      ALA  20 -12.402  13.454  -3.117
  159    HB2  ALA  20           2HB      ALA  20 -10.992  14.511  -3.031
  160    HB3  ALA  20           3HB      ALA  20 -11.565  13.929  -4.594
  161    H    GLY  21           H        GLY  21  -8.393  11.112  -3.243
  162    HA2  GLY  21           1HA      GLY  21  -6.635  11.073  -4.929
  163    HA3  GLY  21           2HA      GLY  21  -6.971  12.772  -5.226
  164    H    LYS  22           H        LYS  22  -7.059  11.914  -1.941
  165    HA   LYS  22           HA       LYS  22  -4.624  13.416  -1.457
  166    HB2  LYS  22           1HB      LYS  22  -7.053  12.932  -0.040
  167    HB3  LYS  22           2HB      LYS  22  -5.715  12.380   0.960
  168    HG2  LYS  22           1HG      LYS  22  -5.827  15.108  -0.301
  169    HG3  LYS  22           2HG      LYS  22  -6.416  14.753   1.324
  170    HD2  LYS  22           1HD      LYS  22  -3.867  13.641   1.241
  171    HD3  LYS  22           2HD      LYS  22  -3.709  15.179   0.390
  172    HE2  LYS  22           1HE      LYS  22  -4.882  16.253   2.337
  173    HE3  LYS  22           2HE      LYS  22  -4.736  14.714   3.183
  174    HZ1  LYS  22           3HZ      LYS  22  -2.922  16.052   3.845
  175    HZ2  LYS  22           1HZ      LYS  22  -2.543  16.475   2.250
  176    HZ3  LYS  22           2HZ      LYS  22  -2.289  14.892   2.789
  177    H    ASP  23           H        ASP  23  -2.732  12.409  -1.462
  178    HA   ASP  23           HA       ASP  23  -2.284   9.686  -1.465
  179    HB2  ASP  23           1HB      ASP  23   0.059  10.357  -0.593
  180    HB3  ASP  23           2HB      ASP  23  -0.472  10.997  -2.146
  181    H    THR  24           H        THR  24  -1.625   8.182   0.088
  182    HA   THR  24           HA       THR  24  -1.723   8.924   2.899
  183    HB   THR  24           HB       THR  24  -3.528   6.725   1.887
  184    HG1  THR  24           1HG      THR  24  -4.419   8.661   1.192
  185   HG21  THR  24          3HG2      THR  24  -3.994   8.033   4.483
  186   HG22  THR  24          1HG2      THR  24  -2.510   7.088   4.375
  187   HG23  THR  24          2HG2      THR  24  -4.067   6.327   4.044
  188    H    PHE  25           H        PHE  25  -0.396   7.704   4.126
  189    HA   PHE  25           HA       PHE  25   0.622   5.188   2.998
  190    HB2  PHE  25           1HB      PHE  25   2.375   7.200   4.412
  191    HB3  PHE  25           2HB      PHE  25   2.881   5.741   3.565
  192    HD1  PHE  25           2HD      PHE  25   1.532   9.143   3.131
  193    HD2  PHE  25           1HD      PHE  25   3.228   5.736   1.225
  194    HE1  PHE  25           2HE      PHE  25   1.844  10.454   1.072
  195    HE2  PHE  25           1HE      PHE  25   3.543   7.042  -0.837
  196    HZ   PHE  25           HZ       PHE  25   2.849   9.403  -0.915
  197    H    ILE  26           H        ILE  26   0.828   3.541   4.414
  198    HA   ILE  26           HA       ILE  26   0.937   4.023   7.267
  199    HB   ILE  26           HB       ILE  26  -1.504   4.084   6.705
  200   HG12  ILE  26          1HG1      ILE  26  -1.515   1.697   8.314
  201   HG13  ILE  26          2HG1      ILE  26  -0.148   2.711   8.766
  202   HG21  ILE  26          1HG2      ILE  26  -1.004   2.101   4.978
  203   HG22  ILE  26          2HG2      ILE  26  -1.546   1.150   6.360
  204   HG23  ILE  26          3HG2      ILE  26  -2.598   2.390   5.676
  205   HD11  ILE  26          3HD1      ILE  26  -2.303   4.458   8.538
  206   HD12  ILE  26          1HD1      ILE  26  -2.943   3.030   9.352
  207   HD13  ILE  26          2HD1      ILE  26  -1.547   3.875  10.021
  208    H    LYS  27           H        LYS  27   2.747   2.842   5.450
  209    HA   LYS  27           HA       LYS  27   4.054   1.001   5.158
  210    HB2  LYS  27           1HB      LYS  27   3.363   1.156   7.911
  211    HB3  LYS  27           2HB      LYS  27   3.352  -0.544   7.457
  212    HG2  LYS  27           1HG      LYS  27   5.539  -0.408   7.949
  213    HG3  LYS  27           2HG      LYS  27   5.656   0.226   6.306
  214    HD2  LYS  27           1HD      LYS  27   5.081   2.489   7.670
  215    HD3  LYS  27           2HD      LYS  27   5.980   1.593   8.897
  216    HE2  LYS  27           1HE      LYS  27   7.839   1.314   7.353
  217    HE3  LYS  27           2HE      LYS  27   6.935   2.145   6.089
  218    HZ1  LYS  27           3HZ      LYS  27   6.846   4.060   7.771
  219    HZ2  LYS  27           1HZ      LYS  27   8.299   3.785   6.949
  220    HZ3  LYS  27           2HZ      LYS  27   8.119   3.263   8.548
  221    H    CYS  28           H        CYS  28   3.968  -1.576   5.395
  222    HA   CYS  28           HA       CYS  28   1.308  -2.490   4.547
  223    HB2  CYS  28           1HB      CYS  28   3.815  -2.495   3.008
  224    HB3  CYS  28           2HB      CYS  28   2.973  -4.039   3.025
  225    HG   CYS  28           HG       CYS  28   1.085  -3.421   1.376
  226    HA   PRO  29           HA       PRO  29   1.987  -5.765   7.404
  227    HB2  PRO  29           1HB      PRO  29   0.256  -7.596   6.391
  228    HB3  PRO  29           2HB      PRO  29  -0.273  -6.154   7.266
  229    HG2  PRO  29           1HG      PRO  29  -0.143  -6.638   4.314
  230    HG3  PRO  29           2HG      PRO  29  -1.421  -5.859   5.265
  231    HD2  PRO  29           1HD      PRO  29   0.411  -4.449   3.856
  232    HD3  PRO  29           2HD      PRO  29  -0.293  -3.853   5.373
  233    H    LYS  30           H        LYS  30   4.210  -5.891   6.259
  234    HA   LYS  30           HA       LYS  30   4.494  -8.623   5.243
  235    HB2  LYS  30           1HB      LYS  30   6.014  -6.324   4.022
  236    HB3  LYS  30           2HB      LYS  30   5.931  -7.986   3.455
  237    HG2  LYS  30           1HG      LYS  30   3.591  -6.094   3.511
  238    HG3  LYS  30           2HG      LYS  30   4.609  -6.391   2.100
  239    HD2  LYS  30           1HD      LYS  30   3.754  -8.477   1.753
  240    HD3  LYS  30           2HD      LYS  30   3.438  -8.752   3.467
  241    HE2  LYS  30           1HE      LYS  30   1.695  -6.777   3.029
  242    HE3  LYS  30           2HE      LYS  30   1.759  -7.450   1.401
  243    HZ1  LYS  30           3HZ      LYS  30   0.024  -8.392   2.953
  244    HZ2  LYS  30           1HZ      LYS  30   1.292  -9.140   3.786
  245    HZ3  LYS  30           2HZ      LYS  30   1.007  -9.520   2.163
  246    H    PHE  31           H        PHE  31   5.038  -8.560   7.674
  247    HA   PHE  31           HA       PHE  31   7.620  -7.485   8.357
  248    HB2  PHE  31           1HB      PHE  31   5.514  -9.050   9.794
  249    HB3  PHE  31           2HB      PHE  31   7.141  -8.997  10.464
  250    HD1  PHE  31           2HD      PHE  31   4.258  -6.920   9.459
  251    HD2  PHE  31           1HD      PHE  31   7.932  -7.094  11.602
  252    HE1  PHE  31           2HE      PHE  31   3.757  -4.742  10.488
  253    HE2  PHE  31           1HE      PHE  31   7.436  -4.917  12.635
  254    HZ   PHE  31           HZ       PHE  31   5.347  -3.737  12.077
  255    H    ASP  32           H        ASP  32   9.006  -8.509   6.868
  256    HA   ASP  32           HA       ASP  32  10.388 -10.134   6.063
  257    HB2  ASP  32           1HB      ASP  32  11.057  -9.930   8.516
  258    HB3  ASP  32           2HB      ASP  32  10.126 -11.400   8.788
  259    H    ASN  33           H        ASN  33   8.897 -11.001   4.570
  260    HA   ASN  33           HA       ASN  33   8.489 -13.759   4.731
  261    HB2  ASN  33           1HB      ASN  33   6.626 -12.521   6.290
  262    HB3  ASN  33           2HB      ASN  33   5.775 -12.606   4.750
  263   HD21  ASN  33          2HD2      ASN  33   4.524 -14.307   4.614
  264   HD22  ASN  33          1HD2      ASN  33   4.847 -15.872   5.271
  265    H    LYS  34           H        LYS  34   7.264 -10.723   3.412
  266    HA   LYS  34           HA       LYS  34   7.905 -11.397   0.757
  267    HB2  LYS  34           1HB      LYS  34   5.976 -12.920   1.004
  268    HB3  LYS  34           2HB      LYS  34   4.958 -11.548   1.415
  269    HG2  LYS  34           1HG      LYS  34   5.962 -10.710  -0.942
  270    HG3  LYS  34           2HG      LYS  34   5.949 -12.456  -1.199
  271    HD2  LYS  34           1HD      LYS  34   3.520 -12.235  -0.187
  272    HD3  LYS  34           2HD      LYS  34   3.680 -10.576  -0.768
  273    HE2  LYS  34           1HE      LYS  34   2.661 -11.814  -2.515
  274    HE3  LYS  34           2HE      LYS  34   4.333 -11.539  -3.001
  275    HZ1  LYS  34           3HZ      LYS  34   3.745 -13.797  -3.458
  276    HZ2  LYS  34           1HZ      LYS  34   3.203 -14.043  -1.874
  277    HZ3  LYS  34           2HZ      LYS  34   4.848 -13.791  -2.176
  278    H    LYS  35           H        LYS  35   8.735  -9.237   1.654
  279    HA   LYS  35           HA       LYS  35   6.865  -7.051   1.667
  280    HB2  LYS  35           1HB      LYS  35   9.875  -6.877   1.525
  281    HB3  LYS  35           2HB      LYS  35   8.755  -5.648   2.100
  282    HG2  LYS  35           1HG      LYS  35   9.073  -6.408   4.153
  283    HG3  LYS  35           2HG      LYS  35   8.267  -7.905   3.677
  284    HD2  LYS  35           1HD      LYS  35  10.382  -8.500   4.598
  285    HD3  LYS  35           2HD      LYS  35  10.490  -8.727   2.851
  286    HE2  LYS  35           1HE      LYS  35  11.603  -6.554   2.645
  287    HE3  LYS  35           2HE      LYS  35  11.498  -6.336   4.392
  288    HZ1  LYS  35           3HZ      LYS  35  13.137  -7.840   4.772
  289    HZ2  LYS  35           1HZ      LYS  35  13.638  -7.314   3.245
  290    HZ3  LYS  35           2HZ      LYS  35  12.786  -8.766   3.401
  291    H    CYS  36           H        CYS  36   7.662  -5.036   0.297
  292    HA   CYS  36           HA       CYS  36   6.949  -5.460  -2.330
  293    HB2  CYS  36           1HB      CYS  36   7.937  -3.231  -2.797
  294    HB3  CYS  36           2HB      CYS  36   6.933  -3.241  -1.352
  295    HG   CYS  36           HG       CYS  36  10.355  -3.351  -1.347
  296    H    THR  37           H        THR  37   8.158  -5.376  -4.309
  297    HA   THR  37           HA       THR  37  11.004  -5.796  -4.272
  298    HB   THR  37           HB       THR  37  10.199  -8.058  -3.690
  299    HG1  THR  37           1HG      THR  37  11.128  -8.128  -6.365
  300   HG21  THR  37          3HG2      THR  37   8.366  -8.895  -4.635
  301   HG22  THR  37          1HG2      THR  37   9.180  -8.902  -6.200
  302   HG23  THR  37          2HG2      THR  37   8.255  -7.488  -5.693
  303    H    LYS  38           H        LYS  38   9.341  -3.876  -5.480
  304    HA   LYS  38           HA       LYS  38  10.353  -3.811  -8.080
  305    HB2  LYS  38           1HB      LYS  38   8.156  -5.524  -7.907
  306    HB3  LYS  38           2HB      LYS  38   7.503  -4.034  -8.576
  307    HG2  LYS  38           1HG      LYS  38  10.019  -4.987  -9.775
  308    HG3  LYS  38           2HG      LYS  38   8.593  -5.988 -10.058
  309    HD2  LYS  38           1HD      LYS  38   7.402  -4.105 -10.983
  310    HD3  LYS  38           2HD      LYS  38   8.732  -3.018 -10.576
  311    HE2  LYS  38           1HE      LYS  38  10.191  -4.203 -12.123
  312    HE3  LYS  38           2HE      LYS  38   8.895  -5.338 -12.498
  313    HZ1  LYS  38           3HZ      LYS  38   8.555  -2.435 -12.921
  314    HZ2  LYS  38           1HZ      LYS  38   7.695  -3.713 -13.619
  315    HZ3  LYS  38           2HZ      LYS  38   9.290  -3.409 -14.094
  316    H    ASP  39           H        ASP  39   9.824  -1.884  -9.189
  317    HA   ASP  39           HA       ASP  39   9.005   0.251  -7.463
  318    HB2  ASP  39           1HB      ASP  39   9.334   0.621 -10.413
  319    HB3  ASP  39           2HB      ASP  39   9.802   1.690  -9.093
  320    H    ASN  40           H        ASN  40   6.907   0.417  -6.968
  321    HA   ASN  40           HA       ASN  40   4.682   0.833  -7.217
  322    HB2  ASN  40           1HB      ASN  40   4.950   1.006 -10.196
  323    HB3  ASN  40           2HB      ASN  40   3.932   1.949  -9.111
  324   HD21  ASN  40          2HD2      ASN  40   5.595   2.950  -7.297
  325   HD22  ASN  40          1HD2      ASN  40   6.797   3.952  -8.032
  326    H    ASN  41           H        ASN  41   5.525  -1.801  -7.083
  327    HA   ASN  41           HA       ASN  41   4.640  -3.537  -9.056
  328    HB2  ASN  41           1HB      ASN  41   4.170  -5.065  -6.950
  329    HB3  ASN  41           2HB      ASN  41   5.817  -4.634  -7.406
  330   HD21  ASN  41          2HD2      ASN  41   6.516  -4.959  -5.284
  331   HD22  ASN  41          1HD2      ASN  41   6.186  -3.812  -4.035
  332    H    LYS  42           H        LYS  42   2.840  -3.142  -6.018
  333    HA   LYS  42           HA       LYS  42   0.429  -2.251  -7.079
  334    HB2  LYS  42           1HB      LYS  42   0.199  -4.226  -8.363
  335    HB3  LYS  42           2HB      LYS  42   0.742  -5.247  -7.037
  336    HG2  LYS  42           1HG      LYS  42  -1.289  -5.109  -5.929
  337    HG3  LYS  42           2HG      LYS  42  -1.771  -3.645  -6.789
  338    HD2  LYS  42           1HD      LYS  42  -2.938  -4.951  -8.166
  339    HD3  LYS  42           2HD      LYS  42  -1.398  -5.552  -8.784
  340    HE2  LYS  42           1HE      LYS  42  -1.487  -7.472  -7.520
  341    HE3  LYS  42           2HE      LYS  42  -2.525  -6.745  -6.295
  342    HZ1  LYS  42           3HZ      LYS  42  -3.257  -8.263  -8.562
  343    HZ2  LYS  42           1HZ      LYS  42  -3.965  -6.729  -8.659
  344    HZ3  LYS  42           2HZ      LYS  42  -4.233  -7.700  -7.301
  345    H    CYS  43           H        CYS  43  -1.167  -2.021  -5.506
  346    HA   CYS  43           HA       CYS  43  -0.805  -3.279  -2.916
  347    HB2  CYS  43           1HB      CYS  43  -0.426  -1.354  -1.659
  348    HB3  CYS  43           2HB      CYS  43   0.586  -1.093  -3.073
  349    HG   CYS  43           HG       CYS  43  -2.362   0.427  -2.293
  350    H    THR  44           H        THR  44  -2.554  -2.279  -1.353
  351    HA   THR  44           HA       THR  44  -4.942  -1.290  -2.562
  352    HB   THR  44           HB       THR  44  -5.878  -3.731  -1.458
  353    HG1  THR  44           1HG      THR  44  -4.796  -5.251  -2.674
  354   HG21  THR  44          3HG2      THR  44  -6.725  -2.152  -3.354
  355   HG22  THR  44          1HG2      THR  44  -7.069  -3.879  -3.440
  356   HG23  THR  44          2HG2      THR  44  -5.758  -3.192  -4.399
  357    H    VAL  45           H        VAL  45  -6.430  -0.593  -1.052
  358    HA   VAL  45           HA       VAL  45  -5.922  -1.233   1.765
  359    HB   VAL  45           HB       VAL  45  -6.136   1.554   0.628
  360   HG11  VAL  45          1HG1      VAL  45  -6.327   0.588   3.471
  361   HG12  VAL  45          2HG1      VAL  45  -5.925   2.253   3.046
  362   HG13  VAL  45          3HG1      VAL  45  -7.483   1.573   2.576
  363   HG21  VAL  45          3HG2      VAL  45  -3.964  -0.055   1.888
  364   HG22  VAL  45          1HG2      VAL  45  -3.906   1.017   0.489
  365   HG23  VAL  45          2HG2      VAL  45  -3.982   1.694   2.115
  366    H    ASP  46           H        ASP  46  -7.717  -1.307   3.044
  367    HA   ASP  46           HA       ASP  46 -10.289  -0.678   1.750
  368    HB2  ASP  46           1HB      ASP  46  -9.639  -3.168   2.148
  369    HB3  ASP  46           2HB      ASP  46 -10.015  -2.821   3.834
  370    H    THR  47           H        THR  47 -10.629   1.303   2.675
  371    HA   THR  47           HA       THR  47 -10.109   1.992   5.342
  372    HB   THR  47           HB       THR  47 -10.440   3.792   3.856
  373    HG1  THR  47           1HG      THR  47 -11.396   4.696   5.519
  374   HG21  THR  47          3HG2      THR  47 -11.681   2.829   2.088
  375   HG22  THR  47          1HG2      THR  47 -12.693   4.123   2.727
  376   HG23  THR  47          2HG2      THR  47 -13.038   2.445   3.147
  377    H    TYR  48           H        TYR  48 -12.541   0.024   4.006
  378    HA   TYR  48           HA       TYR  48 -14.745   0.437   5.609
  379    HB2  TYR  48           1HB      TYR  48 -14.778  -1.143   3.765
  380    HB3  TYR  48           2HB      TYR  48 -13.626  -2.184   4.594
  381    HD1  TYR  48           2HD      TYR  48 -17.081  -0.854   4.746
  382    HD2  TYR  48           1HD      TYR  48 -14.354  -3.801   6.152
  383    HE1  TYR  48           2HE      TYR  48 -18.944  -2.069   5.795
  384    HE2  TYR  48           1HE      TYR  48 -16.209  -5.024   7.205
  385    HH   TYR  48           HH       TYR  48 -19.326  -4.624   6.470
  386    H    ASN  49           H        ASN  49 -11.809  -1.389   6.332
  387    HA   ASN  49           HA       ASN  49 -12.420  -1.186   9.173
  388    HB2  ASN  49           1HB      ASN  49 -13.238  -3.440   8.119
  389    HB3  ASN  49           2HB      ASN  49 -11.528  -3.860   8.149
  390   HD21  ASN  49          2HD2      ASN  49 -11.188  -5.168   9.788
  391   HD22  ASN  49          1HD2      ASN  49 -11.787  -4.964  11.395
  392    H    ASN  50           H        ASN  50 -10.512   0.149   7.559
  393    HA   ASN  50           HA       ASN  50  -8.285   0.622   7.384
  394    HB2  ASN  50           1HB      ASN  50  -8.933   0.748   9.945
  395    HB3  ASN  50           2HB      ASN  50  -7.834  -0.623  10.064
  396   HD21  ASN  50          2HD2      ASN  50  -7.801   2.352   8.134
  397   HD22  ASN  50          1HD2      ASN  50  -6.244   2.881   8.663
  398    H    ALA  51           H        ALA  51  -8.508  -1.394   5.843
  399    HA   ALA  51           HA       ALA  51  -6.736  -3.554   6.737
  400    HB1  ALA  51           1HB      ALA  51  -7.800  -4.945   5.309
  401    HB2  ALA  51           2HB      ALA  51  -9.087  -3.748   5.461
  402    HB3  ALA  51           3HB      ALA  51  -8.000  -3.703   4.073
  403    H    VAL  52           H        VAL  52  -5.056  -4.315   5.282
  404    HA   VAL  52           HA       VAL  52  -4.125  -2.416   3.271
  405    HB   VAL  52           HB       VAL  52  -2.301  -3.325   5.499
  406   HG11  VAL  52          1HG1      VAL  52  -0.629  -2.063   4.509
  407   HG12  VAL  52          2HG1      VAL  52  -1.450  -2.766   3.113
  408   HG13  VAL  52          3HG1      VAL  52  -1.771  -1.094   3.578
  409   HG21  VAL  52          3HG2      VAL  52  -3.715  -1.811   6.569
  410   HG22  VAL  52          1HG2      VAL  52  -2.357  -0.813   6.049
  411   HG23  VAL  52          2HG2      VAL  52  -3.866  -0.793   5.137
  412    H    ASP  53           H        ASP  53  -3.135  -3.381   1.589
  413    HA   ASP  53           HA       ASP  53  -2.251  -6.166   1.896
  414    HB2  ASP  53           1HB      ASP  53  -4.481  -5.219   0.334
  415    HB3  ASP  53           2HB      ASP  53  -3.259  -5.923  -0.723
  416    H    CYS  54           H        CYS  54  -1.262  -6.763  -0.478
  417    HA   CYS  54           HA       CYS  54   0.205  -4.652  -1.719
  418    HB2  CYS  54           1HB      CYS  54   1.354  -5.294   0.593
  419    HB3  CYS  54           2HB      CYS  54   2.028  -6.595  -0.381
  420    HG   CYS  54           HG       CYS  54   3.621  -5.136  -1.905
  421    H    ASP  55           H        ASP  55   1.817  -5.544  -3.317
  422    HA   ASP  55           HA       ASP  55   0.573  -7.525  -4.896
  423    HB2  ASP  55           1HB      ASP  55   2.206  -5.601  -5.565
  424    HB3  ASP  55           2HB      ASP  55   3.462  -6.790  -5.235