*HEADER    ANTIBIOTIC                              11-FEB-05   1YTR              
*TITLE     NMR STRUCTURE OF PLANTARICIN A IN DPC MICELLES, 20                    
*TITLE    2 STRUCTURES                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BACTERIOCIN PLANTARICIN A;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN                        
*SOURCE   5 LACTOBACILLUS PLANTARUM.                                             
*KEYWDS    ANTIBIOTIC, PHEROMONE, AMPHIPATHIC HELIX, MICELLE                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    P.E.KRISTIANSEN, G.FIMLAND, D.MANTZILAS, J.NISSEN-MEYER               
*REVDAT   1   17-MAY-05 1YTR    0                                                

# Distance constrains DYANA upl format
 14 ILE  HA     14 ILE  HG13    3.99 #SUP  3.00
 17 VAL  HA     20 LEU  QB      4.00 #SUP  4.15
 18 LYS+ HA     18 LYS+ QG      3.83 #SUP  6.08
 18 LYS+ HA     18 LYS+ QD      3.67 #SUP  5.41
 15 LYS+ HA     15 LYS+ HD2     4.76 #SUP  4.20
 18 LYS+ QD     19 LYS+ HA      4.87 #SUP  4.94
 19 LYS+ HA     19 LYS+ QG      3.67 #SUP  2.96
 11 ALA  HA     14 ILE  HB      3.91 #SUP  3.72
  7 LEU  HA      7 LEU  HG      3.82 #SUP  4.90
 18 LYS+ HA     21 PHE  HB3     4.38 #SUP  6.35
 18 LYS+ HA     21 PHE  HB2     4.38 #SUP  5.55
 12 THR  HA     12 THR  QG2     3.52 #SUP  6.14
 17 VAL  HA     17 VAL  QG2     3.54 #SUP  4.15
 17 VAL  HA     20 LEU  QD1     4.76 #SUP  5.46
 14 ILE  HA     17 VAL  QG2     4.34 #SUP  6.92
 14 ILE  HA     14 ILE  QD1     3.99 #SUP  5.93
 14 ILE  QG2    15 LYS+ HA      4.60 #SUP  5.73
 11 ALA  HA     14 ILE  QG2     4.72 #SUP  2.96
 11 ALA  HA     14 ILE  QD1     4.42 #SUP  2.31
  7 LEU  HA      7 LEU  QD2     4.65 #SUP  2.31
  7 LEU  HA      7 LEU  QD1     4.65 #SUP  5.23
 18 LYS+ QB     18 LYS+ QE      2.40 #SUP  3.21
 19 LYS+ HB3    19 LYS+ QE      3.63 #SUP  1.48
 20 LEU  QD2    24 TRP  HZ2     4.03 #SUP  3.93
 20 LEU  HN     20 LEU  HG      3.27 #SUP  2.96
 20 LEU  HN     20 LEU  QB      3.31 #SUP  2.18
 14 ILE  HN     14 ILE  HG13    4.04 #SUP  2.30
 18 LYS+ HN     18 LYS+ QD      3.06 #SUP  4.86
  7 LEU  HN      7 LEU  QB      3.25 #SUP  4.86
  8 GLN  HN      8 GLN  QB      3.25 #SUP  1.88
 16 GLN  HN     16 GLN  HG3     4.25 #SUP  3.00
 15 LYS+ HD2    16 GLN  HN      3.87 #SUP  3.00
 14 ILE  HB     15 LYS+ HN      2.98 #SUP  4.00
 19 LYS+ HD2    20 LEU  HN      4.20 #SUP  4.00
 26 TRP  HN     26 TRP  HB3     3.60 #SUP  4.22
 26 TRP  HN     26 TRP  HB2     3.60 #SUP  4.91
 22 LYS+ HN     22 LYS+ QE      4.09 #SUP  3.30
  5 TYR  HN      5 TYR  HB2     4.12 #SUP  5.06
 21 PHE  HB3    22 LYS+ HN      4.13 #SUP  3.08
 21 PHE  HB2    22 LYS+ HN      4.13 #SUP  4.11
 23 LYS+ HG3    24 TRP  HD1     4.27 #SUP  3.77
  6 SER  HN      7 LEU  HN      4.73 #SUP  1.26
  4 ALA  HN      5 TYR  HN      4.84 #SUP  1.59
 16 GLN  HN     17 VAL  HN      3.88 #SUP  3.07
 14 ILE  HN     15 LYS+ HN      4.18 #SUP  2.56
 20 LEU  HN     21 PHE  HN      4.20 #SUP  3.25
  5 TYR  HN      5 TYR  QD      4.41 #SUP  4.30
 21 PHE  HN     21 PHE  QD      4.11 #SUP  3.30
 26 TRP  HN     26 TRP  HD1     4.61 #SUP  4.44
 15 LYS+ HN     16 GLN  HN      4.10 #SUP  4.22
 18 LYS+ HN     19 LYS+ HN      4.17 #SUP  4.22
  7 LEU  HN      8 GLN  HN      4.30 #SUP  4.52
  3 SER  HN      4 ALA  HN      5.32 #SUP  4.90
 11 ALA  HN     12 THR  HN      4.02 #SUP  2.49
 13 ALA  HN     14 ILE  HN      3.91 #SUP  3.38
 11 ALA  HN     13 ALA  HN      3.63 #SUP  5.09
 21 PHE  HN     22 LYS+ HN      3.37 #SUP  5.97
 21 PHE  HA     24 TRP  HN      2.99 #SUP  4.75
  8 GLN  QG      9 MET  HN      3.65 #SUP  4.36
 14 ILE  HA     17 VAL  HB      3.82 #SUP  2.69
 15 LYS+ HA     15 LYS+ HD3     4.76 #SUP  2.18
 20 LEU  HA     20 LEU  HG      3.70 #SUP  4.86
 14 ILE  HA     14 ILE  HG12    3.99 #SUP  4.90
 17 VAL  HA     20 LEU  HG      3.46 #SUP  5.13
 13 ALA  QB     14 ILE  HA      5.46 #SUP  4.73
 15 LYS+ QG     15 LYS+ QE      2.69 #SUP  2.96
 19 LYS+ HB2    19 LYS+ QE      3.63 #SUP  2.95
 20 LEU  HA     20 LEU  QD2     4.02 #SUP  2.00
 20 LEU  HA     20 LEU  QD1     4.02 #SUP  2.96
 17 VAL  HA     20 LEU  QD2     4.76 #SUP  3.00
 14 ILE  HA     17 VAL  QG1     4.34 #SUP  2.96
 17 VAL  HA     17 VAL  QG1     3.54 #SUP  0.67
 20 LEU  HN     20 LEU  QD1     4.41 #SUP  2.91
 20 LEU  QD1    24 TRP  HZ2     4.03 #SUP  2.91
 17 VAL  QG2    21 PHE  QD      4.95 #SUP  2.54
 20 LEU  QD1    24 TRP  HH2     4.54 #SUP  1.63
 20 LEU  QD2    24 TRP  HH2     4.54 #SUP  3.79
 14 ILE  HN     14 ILE  QD1     4.45 #SUP  3.41
 14 ILE  HN     14 ILE  QG2     4.15 #SUP  3.30
 20 LEU  HG     21 PHE  HN      3.78 #SUP  2.96
  4 ALA  HN      4 ALA  QB      3.58 #SUP  3.93
 18 LYS+ HN     18 LYS+ QG      4.19 #SUP  3.59
 12 THR  QG2    13 ALA  HN      5.37 #SUP  4.22
 12 THR  HN     12 THR  QG2     3.67 #SUP  2.96
 14 ILE  HN     14 ILE  HG12    4.04 #SUP  2.96
  4 ALA  QB      5 TYR  HN      4.16 #SUP  7.71
  4 ALA  QB      6 SER  HN      3.66 #SUP  3.72
  7 LEU  HN      7 LEU  HG      3.96 #SUP  4.45
  7 LEU  QB      8 GLN  HN      3.90 #SUP  6.75
 11 ALA  HN     13 ALA  QB      3.13 #SUP  6.68
 10 GLY  HN     13 ALA  QB      4.29 #SUP  5.50
 13 ALA  HN     13 ALA  QB      3.01 #SUP  5.50
 13 ALA  QB     14 ILE  HN      3.40 #SUP  3.12
 20 LEU  QB     21 PHE  HN      3.90 #SUP  3.12
 11 ALA  QB     14 ILE  HN      5.50 #SUP  3.12
  7 LEU  HG      8 GLN  HN      4.12 #SUP  6.41
 18 LYS+ HN     18 LYS+ QB      3.27 #SUP  4.24
 15 LYS+ HD3    16 GLN  HN      3.87 #SUP  6.57
 14 ILE  HN     14 ILE  HB      3.31 #SUP  5.11
 19 LYS+ HD3    20 LEU  HN      4.20 #SUP  6.57
  7 LEU  HN      7 LEU  QD2     4.80 #SUP  5.96
  7 LEU  HN      7 LEU  QD1     4.80 #SUP  5.96
  7 LEU  QD2     8 GLN  HN      5.03 #SUP  3.92
  7 LEU  QD1     8 GLN  HN      5.03 #SUP  6.40
 14 ILE  QG2    17 VAL  HN      4.72 #SUP  6.40
 19 LYS+ HN     19 LYS+ QG      4.53 #SUP  4.26
 15 LYS+ HN     15 LYS+ QG      5.30 #SUP  7.11
 13 ALA  QB     15 LYS+ HN      5.50 #SUP  4.79
  9 MET  HB3    10 GLY  HN      4.08 #SUP  4.52
  8 GLN  HN      8 GLN  QG      4.33 #SUP  6.63
  9 MET  HN      9 MET  HG2     4.11 #SUP  6.80
  9 MET  HN      9 MET  HG3     4.11 #SUP  6.34
 16 GLN  HN     16 GLN  HG2     4.25 #SUP  5.56
 16 GLN  HN     16 GLN  HB2     4.13 #SUP  3.36
 16 GLN  HN     16 GLN  HB3     4.13 #SUP  5.07
 17 VAL  HN     17 VAL  HB      2.74 #SUP  5.47
  8 GLN  QB      9 MET  HN      3.63 #SUP  6.27
 23 LYS+ HG2    24 TRP  HD1     4.27 #SUP  6.03
  4 ALA  QB      5 TYR  QD      4.34 #SUP  4.06
  5 TYR  HN      5 TYR  HB3     4.12 #SUP  3.41
 21 PHE  HN     21 PHE  HB2     3.48 #SUP  3.32
 21 PHE  HN     21 PHE  HB3     3.48 #SUP  4.40
 14 ILE  HA     16 GLN  HN      5.32 #SUP  2.61
 17 VAL  HA     21 PHE  HN      5.50 #SUP  3.47
 17 VAL  HA     20 LEU  HN      4.00 #SUP  5.61
 17 VAL  HA     19 LYS+ HN      5.12 #SUP  6.20
 20 LEU  HA     22 LYS+ HN      3.69 #SUP  4.03
 18 LYS+ HA     22 LYS+ HN      5.50 #SUP  8.02
  3 SER  HB3     4 ALA  HN      5.50 #SUP  5.96
  3 SER  HB2     4 ALA  HN      5.50 #SUP  3.54
  6 SER  HB3     7 LEU  HN      5.50 #SUP  5.96
 18 LYS+ HA     21 PHE  HN      3.80 #SUP  3.54
 19 LYS+ HA     22 LYS+ HN      3.93 #SUP  3.94
 16 GLN  HA     19 LYS+ HN      4.15 #SUP  3.10
  6 SER  HB3     8 GLN  HN      5.50 #SUP  4.66
 15 LYS+ HA     18 LYS+ HN      4.40 #SUP  5.17
 19 LYS+ HA     21 PHE  HN      5.05 #SUP  5.17
 13 ALA  HA     16 GLN  HN      5.28 #SUP  3.39
  6 SER  HA      7 LEU  HN      3.53 #SUP  1.31
  5 TYR  HA      6 SER  HN      3.47 #SUP  8.33
 26 TRP  HA     26 TRP  HD1     3.90 #SUP  6.77
 24 TRP  HA     24 TRP  HD1     3.41 #SUP  8.19
 21 PHE  HA     24 TRP  HE3     3.91 #SUP  8.27
 18 LYS+ HA     21 PHE  QD      4.18 #SUP  4.63
 23 LYS+ QE     24 TRP  HD1     5.00 #SUP  3.25
 24 TRP  HN     24 TRP  HD1     4.26 #SUP  2.08
 19 LYS+ HN     20 LEU  HN      3.43 #SUP  2.08
 20 LEU  QD2    24 TRP  HE1     5.01 #SUP  3.97
 20 LEU  QD1    24 TRP  HE1     5.01 #SUP  4.01
  9 MET  HN     10 GLY  HA1     4.64 #SUP  2.76
  9 MET  HN     10 GLY  HA2     4.64 #SUP  2.76
 10 GLY  HN     11 ALA  HA      5.50 #SUP  2.76
 11 ALA  HA     15 LYS+ HN      5.50 #SUP  4.82
 16 GLN  HA     20 LEU  HN      5.50 #SUP  5.08
  6 SER  HB2     8 GLN  HN      5.50 #SUP  3.56
 14 ILE  HA     17 VAL  HN      4.72 #SUP  6.55
 17 VAL  HA     21 PHE  QD      5.50 #SUP  7.65
 14 ILE  HN     15 LYS+ HA      5.50 #SUP  8.19
 18 LYS+ HN     19 LYS+ HA      5.11 #SUP  7.45
  6 SER  HB2     7 LEU  HN      5.50 #SUP  4.75
 12 THR  HB     15 LYS+ HN      5.50 #SUP  4.17
  8 GLN  HA     10 GLY  HN      4.70 #SUP  6.48
 12 THR  HN     12 THR  HB      3.50 #SUP  4.08
 12 THR  HB     13 ALA  HN      5.19 #SUP  7.53
 24 TRP  HA     24 TRP  HE3     5.12 #SUP  7.53
  9 MET  HB2    10 GLY  HN      4.08 #SUP  6.55
 17 VAL  QG1    21 PHE  QD      4.95 #SUP  3.56
 20 LEU  HG     21 PHE  QD      3.76 #SUP  7.45
 11 ALA  HN     12 THR  HA      5.08 #SUP  8.19
 11 ALA  HA     14 ILE  HN      3.82 #SUP  7.65
 13 ALA  HA     17 VAL  HN      4.73 #SUP  8.11
 11 ALA  HA     13 ALA  HN      5.50 #SUP  5.08
 18 LYS+ QD     19 LYS+ HN      2.79 #SUP  4.31
  3 SER  HN      4 ALA  QB      5.50 #SUP  8.11
 11 ALA  HN     11 ALA  QB      3.11 #SUP  4.34
 11 ALA  QB     12 THR  HN      3.77 #SUP  4.24
 14 ILE  QG2    15 LYS+ HN      4.01 #SUP  6.78
 20 LEU  HN     20 LEU  QD2     4.41 #SUP  4.12
 15 LYS+ HA     18 LYS+ QD      4.81 #SUP  4.34
 18 LYS+ HN     20 LEU  HN      5.33 #SUP  4.24
 15 LYS+ HN     17 VAL  HN      4.84 #SUP  7.61
  9 MET  HN     10 GLY  HN      3.21 #SUP  7.61
 20 LEU  HN     22 LYS+ HN      5.50 #SUP  1.78
  3 SER  HN      3 SER  QB      3.93 #SUP  2.54
  5 TYR  HN      5 TYR  QB      3.82 #SUP  1.32
  7 LEU  HN      7 LEU  QQD     4.44 #SUP  1.00
  7 LEU  HA      7 LEU  QQD     4.01 #SUP  1.32
  7 LEU  QQD     8 GLN  HN      4.62 #SUP  1.00
  8 GLN  HN      9 MET  QB      6.13 #SUP  1.78
  9 MET  HN      9 MET  QB      3.85 #SUP  2.54
  9 MET  HN     10 GLY  QA      4.35 #SUP  3.59
 10 GLY  QA     13 ALA  QB      4.89 #SUP  5.50
 13 ALA  HA     16 GLN  QB      4.07 #SUP  5.96
 14 ILE  HN     14 ILE  QG1     3.69 #SUP  1.70
 14 ILE  HN     17 VAL  QQG     6.33 #SUP  2.67
 14 ILE  HA     14 ILE  QG1     3.74 #SUP  3.56
 14 ILE  HA     17 VAL  QQG     3.14 #SUP  8.39
 15 LYS+ HN     15 LYS+ QB      3.73 #SUP  5.35
 15 LYS+ HN     15 LYS+ QD      5.33 #SUP  4.66
 15 LYS+ HA     15 LYS+ QD      4.33 #SUP  6.12
 15 LYS+ QD     16 GLN  HN      3.46 #SUP  2.76
 16 GLN  HN     16 GLN  QB      3.62 #SUP  2.76
 16 GLN  HN     16 GLN  QG      3.85 #SUP  4.00
 16 GLN  HN     17 VAL  QQG     6.28 #SUP  4.00
 16 GLN  HA     19 LYS+ QD      4.57 #SUP  3.00
 16 GLN  QB     17 VAL  HN      4.40 #SUP  2.96
 17 VAL  HN     17 VAL  QQG     3.85 #SUP  3.93
 17 VAL  HA     20 LEU  QQD     4.12 #SUP  4.73
 17 VAL  QQG    18 LYS+ HN      5.78 #SUP  2.21
 17 VAL  QQG    18 LYS+ HA      5.68 #SUP  5.23
 17 VAL  QQG    20 LEU  HN      6.66 #SUP  4.90
 17 VAL  QQG    21 PHE  HN      6.31 #SUP  1.32
 17 VAL  QQG    21 PHE  QD      3.95 #SUP  6.08
 18 LYS+ HA     19 LYS+ QB      6.38 #SUP  4.15
 18 LYS+ HA     21 PHE  QB      3.82 #SUP  3.00
 19 LYS+ HN     19 LYS+ QB      3.81 #SUP  6.14
 19 LYS+ HN     19 LYS+ QD      4.43 #SUP  6.11
 19 LYS+ HA     19 LYS+ QD      4.60 #SUP  5.55
 19 LYS+ QB     19 LYS+ QE      3.05 #SUP  5.55
 19 LYS+ QB     20 LEU  HN      5.35 #SUP  2.31
 19 LYS+ QD     20 LEU  HN      3.83 #SUP  2.31
 20 LEU  HN     20 LEU  QQD     3.74 #SUP  2.31
 20 LEU  HA     20 LEU  QQD     3.64 #SUP  2.31
 20 LEU  HA     23 LYS+ QG      5.22 #SUP  2.96
 20 LEU  QQD    21 PHE  HN      6.50 #SUP  4.94
 20 LEU  QQD    21 PHE  QD      5.36 #SUP  4.20
 20 LEU  QQD    24 TRP  HE1     4.58 #SUP  5.41
 20 LEU  QQD    24 TRP  HH2     3.80 #SUP  4.23
 21 PHE  HN     21 PHE  QB      3.14 #SUP  5.46
 21 PHE  HN     22 LYS+ QD      4.72 #SUP  3.72
 21 PHE  HN     24 TRP  QB      6.38 #SUP  5.93
 21 PHE  HA     23 LYS+ QG      4.88 #SUP  5.73
 21 PHE  HA     24 TRP  QB      4.46 #SUP  2.56
 21 PHE  QB     22 LYS+ HN      3.81 #SUP  2.96
 21 PHE  QD     24 TRP  QB      4.54 #SUP  5.13
 22 LYS+ HN     22 LYS+ QD      3.67 #SUP  5.13
 22 LYS+ HA     22 LYS+ QD      5.78 #SUP  4.73
 22 LYS+ QD     23 LYS+ HA      5.59 #SUP  5.28
 22 LYS+ QE     23 LYS+ QG      4.00 #SUP  1.00
 23 LYS+ QG     23 LYS+ QE      3.71 #SUP  2.66
 23 LYS+ QG     24 TRP  HN      4.13 #SUP  2.91
 23 LYS+ QG     24 TRP  HD1     4.10 #SUP  2.91
 24 TRP  HN     24 TRP  QB      3.56 #SUP  3.34
 26 TRP  HN     26 TRP  QB      3.22 #SUP  2.91
#Angle constrains DYANA aco format
  13 ALA   PHI     -92.0   -40.0
  13 ALA   PSI     -58.0   -10.0
  14 ILE   PHI     -98.0   -42.0 
  14 ILE   PSI     -51.0   -31.0
  15 LYS+  PHI     -80.0   -44.0
  15 LYS+  PSI     -66.0   -14.0
  16 GLN   PHI     -78.0   -58.0
  16 GLN   PSI     -50.0   -26.0
  17 VAL   PHI     -78.0   -54.0
  17 VAL   PSI     -54.0   -34.0
  18 LYS+  PHI     -74.0   -54.0
  18 LYS+  PSI     -63.0   -15.0
  19 LYS+  PHI     -80.0   -48.0
  19 LYS+  PSI     -59.0   -19.0 
  20 LEU   PHI     -88.0   -38.0 
  20 LEU   PSI     -63.0   -19.0 
  21 PHE   PHI     -90.0   -46.0
  21 PHE   PSI     -60.0   -20.0
  22 LYS+  PHI     -83.0   -47.0
  22 LYS+  PSI     -53.0    -1.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1           H        LYS   1  -4.554   7.938   2.548
    2    HA   LYS   1           HA       LYS   1  -5.684   9.539   3.598
    3   2HB   LYS   1          2HB       LYS   1  -4.248  11.445   4.719
    4   2HG   LYS   1          2HG       LYS   1  -3.565   9.363   6.420
    5   2HD   LYS   1          2HD       LYS   1  -5.951   9.692   7.335
    6   2HE   LYS   1          2HE       LYS   1  -3.724  11.510   7.207
    7   1HZ   LYS   1          1HZ       LYS   1  -4.636  13.460   6.789
    8   2HZ   LYS   1          2HZ       LYS   1  -5.927  12.686   6.158
    9   3HZ   LYS   1          3HZ       LYS   1  -5.949  13.172   7.716
   10    H    SER   2           H        SER   2  -6.117   9.715   1.157
   11    HA   SER   2           HA       SER   2  -5.608  12.479   0.469
   12   2HB   SER   2          2HB       SER   2  -5.194  10.162  -1.472
   13    HG   SER   2           HG       SER   2  -4.501  11.806  -2.922
   14    H    SER   3           H        SER   3  -7.171   9.403  -0.707
   15    HA   SER   3           HA       SER   3  -9.736  10.380  -0.327
   16   2HB   SER   3          2HB       SER   3  -9.462  10.141  -3.265
   17    HG   SER   3           HG       SER   3 -11.366  11.050  -2.799
   18    H    ALA   4           H        ALA   4 -11.394   8.782  -1.144
   19    HA   ALA   4           HA       ALA   4 -12.108   6.712  -1.452
   20   1HB   ALA   4          1HB       ALA   4 -10.572   5.248  -2.995
   21   2HB   ALA   4          2HB       ALA   4 -11.355   6.699  -3.667
   22   3HB   ALA   4          3HB       ALA   4  -9.641   6.752  -3.191
   23    H    TYR   5           H        TYR   5 -12.235   5.213   0.139
   24    HA   TYR   5           HA       TYR   5  -9.696   4.248   1.263
   25   2HB   TYR   5          2HB       TYR   5 -11.403   4.166   3.384
   26    HD1  TYR   5           1HD      TYR   5 -10.551   7.316   1.512
   27    HD2  TYR   5           2HD      TYR   5  -9.941   4.924   5.008
   28    HE1  TYR   5           1HE      TYR   5  -8.991   9.085   2.461
   29    HE2  TYR   5           2HE      TYR   5  -8.384   6.703   5.944
   30    HH   TYR   5           HH       TYR   5  -7.634   9.617   4.055
   31    H    SER   6           H        SER   6 -10.573   2.704  -0.679
   32    HA   SER   6           HA       SER   6 -12.665   0.983   0.137
   33   2HB   SER   6          2HB       SER   6 -11.940  -0.364  -1.872
   34    HG   SER   6           HG       SER   6 -13.030   2.056  -1.843
   35    H    LEU   7           H        LEU   7 -12.487  -1.230   0.854
   36    HA   LEU   7           HA       LEU   7 -10.301  -1.702   2.565
   37   2HB   LEU   7          2HB       LEU   7 -11.390  -3.806   3.028
   38    HG   LEU   7           HG       LEU   7 -13.468  -1.638   2.618
   39   1HD1  LEU   7          1HD1      LEU   7 -13.645  -4.047   4.441
   40   2HD1  LEU   7          2HD1      LEU   7 -14.903  -2.834   4.099
   41   3HD1  LEU   7          3HD1      LEU   7 -14.387  -3.964   2.825
   42   1HD2  LEU   7          1HD2      LEU   7 -11.504  -2.224   4.800
   43   2HD2  LEU   7          2HD2      LEU   7 -12.015  -0.667   4.104
   44   3HD2  LEU   7          3HD2      LEU   7 -13.094  -1.543   5.217
   45    H    GLN   8           H        GLN   8 -11.396  -3.457  -0.429
   46    HA   GLN   8           HA       GLN   8 -10.256  -4.413  -2.019
   47   2HB   GLN   8          2HB       GLN   8  -7.484  -3.916  -1.431
   48   2HG   GLN   8          2HG       GLN   8  -8.293  -3.958  -3.706
   49   1HE2  GLN   8          1HE2      GLN   8  -9.950  -3.861  -5.019
   50   2HE2  GLN   8          2HE2      GLN   8 -11.361  -2.872  -4.851
   51    H    MET   9           H        MET   9  -7.706  -5.764  -2.019
   52    HA   MET   9           HA       MET   9  -7.291  -7.221   0.302
   53   2HB   MET   9          2HB       MET   9  -9.476  -8.255  -0.114
   54   2HG   MET   9          2HG       MET   9  -9.141  -7.619  -2.741
   55   1HE   MET   9          1HE       MET   9  -8.110  -9.903  -5.515
   56   2HE   MET   9          2HE       MET   9  -9.706  -9.275  -5.039
   57   3HE   MET   9          3HE       MET   9  -8.266  -8.239  -4.904
   58    H    GLY  10           H        GLY  10  -7.302  -7.182  -3.295
   59   1HA   GLY  10          1HA       GLY  10  -4.499  -8.087  -3.223
   60   2HA   GLY  10          2HA       GLY  10  -5.652  -8.881  -4.276
   61    H    ALA  11           H        ALA  11  -4.890  -5.436  -3.363
   62    HA   ALA  11           HA       ALA  11  -4.016  -4.802  -5.975
   63   1HB   ALA  11          1HB       ALA  11  -5.964  -3.157  -6.376
   64   2HB   ALA  11          2HB       ALA  11  -6.276  -4.883  -6.684
   65   3HB   ALA  11          3HB       ALA  11  -6.863  -4.126  -5.183
   66    H    THR  12           H        THR  12  -6.028  -2.462  -4.274
   67    HA   THR  12           HA       THR  12  -4.158  -0.553  -3.944
   68    HB   THR  12           HB       THR  12  -6.360  -1.243  -1.930
   69    HG1  THR  12           1HG      THR  12  -6.351   0.272  -4.442
   70   1HG2  THR  12          1HG2      THR  12  -5.923   1.528  -2.941
   71   2HG2  THR  12          2HG2      THR  12  -6.278   0.974  -1.288
   72   3HG2  THR  12          3HG2      THR  12  -4.612   0.908  -1.910
   73    H    ALA  13           H        ALA  13  -4.770  -3.281  -1.661
   74    HA   ALA  13           HA       ALA  13  -3.174  -2.578   0.395
   75   1HB   ALA  13          1HB       ALA  13  -2.612  -5.291  -0.009
   76   2HB   ALA  13          2HB       ALA  13  -3.982  -4.618   0.906
   77   3HB   ALA  13          3HB       ALA  13  -4.183  -5.044  -0.811
   78    H    ILE  14           H        ILE  14  -2.151  -3.960  -2.782
   79    HA   ILE  14           HA       ILE  14   0.461  -4.444  -2.334
   80    HB   ILE  14           HB       ILE  14  -0.858  -3.173  -4.731
   81   2HG1  ILE  14          2HG1      ILE  14  -1.744  -5.373  -4.064
   82   1HG2  ILE  14          1HG2      ILE  14   1.808  -4.588  -4.744
   83   2HG2  ILE  14          2HG2      ILE  14   1.047  -3.627  -6.035
   84   3HG2  ILE  14          3HG2      ILE  14   1.660  -2.823  -4.569
   85   1HD1  ILE  14          1HD1      ILE  14  -1.130  -6.597  -6.225
   86   2HD1  ILE  14          2HD1      ILE  14  -1.752  -4.943  -6.439
   87   3HD1  ILE  14          3HD1      ILE  14  -0.005  -5.260  -6.564
   88    H    LYS  15           H        LYS  15  -0.995  -1.212  -3.101
   89    HA   LYS  15           HA       LYS  15   1.346   0.233  -3.081
   90   2HB   LYS  15          2HB       LYS  15  -1.542   0.843  -2.609
   91   2HG   LYS  15          2HG       LYS  15  -0.596   3.341  -2.596
   92   2HD   LYS  15          2HD       LYS  15  -0.314   2.080   0.102
   93   2HE   LYS  15          2HE       LYS  15  -2.199   4.200  -1.037
   94   1HZ   LYS  15          1HZ       LYS  15  -2.626   4.677   1.191
   95   2HZ   LYS  15          2HZ       LYS  15  -2.775   3.054   1.087
   96   3HZ   LYS  15          3HZ       LYS  15  -1.434   3.710   1.748
   97    H    GLN  16           H        GLN  16  -0.729  -0.864  -0.357
   98    HA   GLN  16           HA       GLN  16   0.426   0.613   1.623
   99   2HB   GLN  16          2HB       GLN  16  -1.514  -1.327   1.486
  100   2HG   GLN  16          2HG       GLN  16   0.700  -2.453   3.259
  101   1HE2  GLN  16          1HE2      GLN  16  -0.871  -2.564   4.910
  102   2HE2  GLN  16          2HE2      GLN  16  -2.138  -3.744   4.890
  103    H    VAL  17           H        VAL  17   1.548  -2.392   0.030
  104    HA   VAL  17           HA       VAL  17   3.478  -3.193   1.808
  105    HB   VAL  17           HB       VAL  17   3.563  -3.238  -1.215
  106   1HG1  VAL  17          1HG1      VAL  17   5.158  -4.950  -1.091
  107   2HG1  VAL  17          2HG1      VAL  17   5.698  -3.784   0.139
  108   3HG1  VAL  17          3HG1      VAL  17   4.834  -5.260   0.632
  109   1HG2  VAL  17          1HG2      VAL  17   1.594  -4.300   0.376
  110   2HG2  VAL  17          2HG2      VAL  17   2.053  -4.910  -1.232
  111   3HG2  VAL  17          3HG2      VAL  17   2.727  -5.666   0.232
  112    H    LYS  18           H        LYS  18   3.557  -0.581  -0.663
  113    HA   LYS  18           HA       LYS  18   6.295  -0.046  -0.434
  114   2HB   LYS  18          2HB       LYS  18   3.959   1.084  -1.745
  115   2HG   LYS  18          2HG       LYS  18   5.314   3.355  -1.972
  116   2HD   LYS  18          2HD       LYS  18   4.089   4.021   0.370
  117   2HE   LYS  18          2HE       LYS  18   2.663   3.245  -2.220
  118   1HZ   LYS  18          1HZ       LYS  18   0.950   4.541  -1.474
  119   2HZ   LYS  18          2HZ       LYS  18   1.375   3.775  -0.095
  120   3HZ   LYS  18          3HZ       LYS  18   1.840   5.321  -0.348
  121    H    LYS  19           H        LYS  19   3.425   0.978   1.443
  122    HA   LYS  19           HA       LYS  19   4.719   3.021   2.866
  123   2HB   LYS  19          2HB       LYS  19   2.151   1.614   2.907
  124   2HG   LYS  19          2HG       LYS  19   1.752   2.588   5.307
  125   2HD   LYS  19          2HD       LYS  19   3.135   0.348   6.166
  126   2HE   LYS  19          2HE       LYS  19   0.483   0.360   4.644
  127   1HZ   LYS  19          1HZ       LYS  19   0.215  -1.383   6.538
  128   2HZ   LYS  19          2HZ       LYS  19   0.860  -1.805   5.098
  129   3HZ   LYS  19          3HZ       LYS  19   1.834  -1.525   6.378
  130    H    LEU  20           H        LEU  20   4.898  -0.467   2.994
  131    HA   LEU  20           HA       LEU  20   5.955  -0.425   5.696
  132   2HB   LEU  20          2HB       LEU  20   4.426  -2.215   4.335
  133    HG   LEU  20           HG       LEU  20   6.525  -2.965   3.059
  134   1HD1  LEU  20          1HD1      LEU  20   7.545  -4.805   4.898
  135   2HD1  LEU  20          2HD1      LEU  20   8.355  -3.357   4.255
  136   3HD1  LEU  20          3HD1      LEU  20   7.455  -3.265   5.787
  137   1HD2  LEU  20          1HD2      LEU  20   5.822  -5.468   4.142
  138   2HD2  LEU  20          2HD2      LEU  20   4.371  -4.443   4.269
  139   3HD2  LEU  20          3HD2      LEU  20   5.163  -4.675   2.692
  140    H    PHE  21           H        PHE  21   7.011  -0.106   2.415
  141    HA   PHE  21           HA       PHE  21   9.617  -1.206   2.871
  142   2HB   PHE  21          2HB       PHE  21   9.529   0.569   0.613
  143    HD1  PHE  21           1HD      PHE  21   7.521  -2.464   0.322
  144    HD2  PHE  21           2HD      PHE  21  11.445  -0.862   0.121
  145    HE1  PHE  21           1HE      PHE  21   8.312  -4.548  -0.832
  146    HE2  PHE  21           2HE      PHE  21  12.237  -2.945  -1.033
  147    HZ   PHE  21           HZ       PHE  21  10.661  -4.764  -1.496
  148    H    LYS  22           H        LYS  22   7.998   1.816   3.481
  149    HA   LYS  22           HA       LYS  22   9.914   3.698   3.076
  150   2HB   LYS  22          2HB       LYS  22   7.471   3.761   4.094
  151   2HG   LYS  22          2HG       LYS  22   7.598   4.430   6.507
  152   2HD   LYS  22          2HD       LYS  22   8.793   1.784   6.815
  153   2HE   LYS  22          2HE       LYS  22   6.342   1.232   7.336
  154   1HZ   LYS  22          1HZ       LYS  22   6.995   1.891   9.315
  155   2HZ   LYS  22          2HZ       LYS  22   8.110   2.906   8.688
  156   3HZ   LYS  22          3HZ       LYS  22   6.592   3.436   8.971
  157    H    LYS  23           H        LYS  23   9.935   1.006   5.338
  158    HA   LYS  23           HA       LYS  23  12.204   2.178   6.751
  159   2HB   LYS  23          2HB       LYS  23  10.530   1.331   8.217
  160   2HG   LYS  23          2HG       LYS  23  10.259  -0.732   6.160
  161   2HD   LYS  23          2HD       LYS  23  11.597  -1.865   8.181
  162   2HE   LYS  23          2HE       LYS  23   8.722  -1.638   9.171
  163   1HZ   LYS  23          1HZ       LYS  23   9.316  -3.891   9.370
  164   2HZ   LYS  23          2HZ       LYS  23  10.822  -3.553   9.903
  165   3HZ   LYS  23          3HZ       LYS  23   9.529  -3.238  10.851
  166    H    TRP  24           H        TRP  24  11.252  -0.375   4.460
  167    HA   TRP  24           HA       TRP  24  13.638  -1.855   4.619
  168   2HB   TRP  24          2HB       TRP  24  12.903  -2.714   2.379
  169    HD1  TRP  24           HD       TRP  24  11.555  -2.461   5.871
  170    HE1  TRP  24           1HE      TRP  24  10.050  -4.525   6.536
  171    HE3  TRP  24           3HE      TRP  24  11.119  -4.329   1.163
  172    HZ2  TRP  24           2HZ      TRP  24   8.872  -6.658   5.052
  173    HZ3  TRP  24           3HZ      TRP  24   9.773  -6.407   0.857
  174    HH2  TRP  24           HH       TRP  24   8.672  -7.564   2.707
  175    H    GLY  25           H        GLY  25  15.662  -1.199   4.041
  176   1HA   GLY  25          1HA       GLY  25  16.067   0.315   1.618
  177   2HA   GLY  25          2HA       GLY  25  16.390   1.224   3.081
  178    H    TRP  26           H        TRP  26  17.565  -1.182   0.865
  179    HA   TRP  26           HA       TRP  26  19.278  -2.718   2.275
  180   2HB   TRP  26          2HB       TRP  26  18.937  -2.896  -0.121
  181    HD1  TRP  26           HD       TRP  26  18.691   0.466   0.102
  182    HE1  TRP  26           1HE      TRP  26  19.498   1.944  -1.930
  183    HE3  TRP  26           3HE      TRP  26  21.665  -3.091  -1.985
  184    HZ2  TRP  26           2HZ      TRP  26  21.250   1.471  -4.132
  185    HZ3  TRP  26           3HZ      TRP  26  22.889  -2.502  -4.075
  186    HH2  TRP  26           HH       TRP  26  22.718  -0.312  -5.146
  Start of MODEL    2
    1   1H    LYS   1           H        LYS   1  -3.689  12.664   7.538
    2    HA   LYS   1           HA       LYS   1  -1.422  11.356   7.950
    3   2HB   LYS   1          2HB       LYS   1  -2.103  11.638  10.783
    4   2HG   LYS   1          2HG       LYS   1   0.482  12.004   9.194
    5   2HD   LYS   1          2HD       LYS   1   0.698  10.948  11.912
    6   2HE   LYS   1          2HE       LYS   1   2.193  12.525  10.101
    7   1HZ   LYS   1          1HZ       LYS   1   2.691  14.242  12.017
    8   2HZ   LYS   1          2HZ       LYS   1   1.645  14.565  10.804
    9   3HZ   LYS   1          3HZ       LYS   1   1.084  14.077  12.258
   10    H    SER   2           H        SER   2  -2.318   9.484   7.267
   11    HA   SER   2           HA       SER   2  -4.071   8.130   8.995
   12   2HB   SER   2          2HB       SER   2  -5.725   7.948   6.792
   13    HG   SER   2           HG       SER   2  -6.614   8.289   8.833
   14    H    SER   3           H        SER   3  -4.618   5.898   8.063
   15    HA   SER   3           HA       SER   3  -2.688   5.225   5.981
   16   2HB   SER   3          2HB       SER   3  -3.184   2.942   7.664
   17    HG   SER   3           HG       SER   3  -0.758   4.203   8.091
   18    H    ALA   4           H        ALA   4  -4.512   5.471   4.457
   19    HA   ALA   4           HA       ALA   4  -5.760   3.076   3.852
   20   1HB   ALA   4          1HB       ALA   4  -7.199   3.269   5.730
   21   2HB   ALA   4          2HB       ALA   4  -7.427   5.017   5.480
   22   3HB   ALA   4          3HB       ALA   4  -8.166   3.854   4.354
   23    H    TYR   5           H        TYR   5  -6.472   3.179   1.729
   24    HA   TYR   5           HA       TYR   5  -7.281   5.690   0.602
   25   2HB   TYR   5          2HB       TYR   5  -5.355   5.524  -1.106
   26    HD1  TYR   5           1HD      TYR   5  -3.558   4.642   1.969
   27    HD2  TYR   5           2HD      TYR   5  -5.263   7.845  -0.297
   28    HE1  TYR   5           1HE      TYR   5  -2.272   6.328   3.372
   29    HE2  TYR   5           2HE      TYR   5  -3.971   9.520   1.113
   30    HH   TYR   5           HH       TYR   5  -1.835   8.405   3.730
   31    H    SER   6           H        SER   6  -8.927   3.614   0.783
   32    HA   SER   6           HA       SER   6 -10.330   2.618  -0.613
   33   2HB   SER   6          2HB       SER   6  -9.965   2.340  -2.960
   34    HG   SER   6           HG       SER   6  -9.802   4.656  -2.033
   35    H    LEU   7           H        LEU   7  -6.878   1.593  -0.584
   36    HA   LEU   7           HA       LEU   7  -7.206  -1.083  -1.132
   37   2HB   LEU   7          2HB       LEU   7  -5.139   0.578  -0.525
   38    HG   LEU   7           HG       LEU   7  -5.410  -1.382   1.763
   39   1HD1  LEU   7          1HD1      LEU   7  -3.120  -1.302   2.205
   40   2HD1  LEU   7          2HD1      LEU   7  -3.205  -1.537   0.442
   41   3HD1  LEU   7          3HD1      LEU   7  -2.855   0.075   1.110
   42   1HD2  LEU   7          1HD2      LEU   7  -5.359   0.405   3.177
   43   2HD2  LEU   7          2HD2      LEU   7  -4.395   1.408   2.066
   44   3HD2  LEU   7          3HD2      LEU   7  -6.135   1.173   1.771
   45    H    GLN   8           H        GLN   8  -8.772  -2.345  -0.247
   46    HA   GLN   8           HA       GLN   8  -8.538  -3.049   2.441
   47   2HB   GLN   8          2HB       GLN   8  -9.710  -0.805   2.676
   48   2HG   GLN   8          2HG       GLN   8 -11.966  -2.364   1.327
   49   1HE2  GLN   8          1HE2      GLN   8 -13.960  -1.713   1.715
   50   2HE2  GLN   8          2HE2      GLN   8 -14.434  -0.367   2.696
   51    H    MET   9           H        MET   9 -10.588  -2.828  -0.505
   52    HA   MET   9           HA       MET   9 -11.533  -5.519   0.093
   53   2HB   MET   9          2HB       MET   9 -13.274  -3.740  -0.272
   54   2HG   MET   9          2HG       MET   9 -13.365  -3.186  -2.936
   55   1HE   MET   9          1HE       MET   9 -14.469  -0.243  -0.914
   56   2HE   MET   9          2HE       MET   9 -14.860  -1.681  -1.888
   57   3HE   MET   9          3HE       MET   9 -14.470  -1.855  -0.159
   58    H    GLY  10           H        GLY  10  -9.562  -3.558  -2.048
   59   1HA   GLY  10          1HA       GLY  10  -9.609  -5.149  -4.365
   60   2HA   GLY  10          2HA       GLY  10  -8.344  -4.038  -3.875
   61    H    ALA  11           H        ALA  11  -6.500  -5.256  -4.288
   62    HA   ALA  11           HA       ALA  11  -5.872  -7.281  -2.399
   63   1HB   ALA  11          1HB       ALA  11  -7.355  -8.342  -4.339
   64   2HB   ALA  11          2HB       ALA  11  -5.810  -8.308  -5.222
   65   3HB   ALA  11          3HB       ALA  11  -5.938  -9.201  -3.689
   66    H    THR  12           H        THR  12  -5.040  -6.357  -5.823
   67    HA   THR  12           HA       THR  12  -2.292  -6.569  -5.493
   68    HB   THR  12           HB       THR  12  -4.034  -4.863  -7.348
   69    HG1  THR  12           1HG      THR  12  -4.179  -7.281  -7.307
   70   1HG2  THR  12          1HG2      THR  12  -1.335  -5.871  -8.177
   71   2HG2  THR  12          2HG2      THR  12  -2.165  -4.363  -8.630
   72   3HG2  THR  12          3HG2      THR  12  -1.328  -4.482  -7.063
   73    H    ALA  13           H        ALA  13  -4.457  -3.719  -5.018
   74    HA   ALA  13           HA       ALA  13  -2.684  -1.749  -4.639
   75   1HB   ALA  13          1HB       ALA  13  -4.372  -1.154  -2.645
   76   2HB   ALA  13          2HB       ALA  13  -4.870  -1.077  -4.352
   77   3HB   ALA  13          3HB       ALA  13  -5.291  -2.497  -3.364
   78    H    ILE  14           H        ILE  14  -3.643  -4.185  -2.120
   79    HA   ILE  14           HA       ILE  14  -2.161  -3.322  -0.040
   80    HB   ILE  14           HB       ILE  14  -2.743  -6.113  -1.011
   81   2HG1  ILE  14          2HG1      ILE  14  -4.212  -4.064   0.431
   82   1HG2  ILE  14          1HG2      ILE  14  -1.641  -5.359   1.707
   83   2HG2  ILE  14          2HG2      ILE  14  -2.060  -6.986   1.123
   84   3HG2  ILE  14          3HG2      ILE  14  -0.694  -6.106   0.399
   85   1HD1  ILE  14          1HD1      ILE  14  -6.021  -5.902   0.087
   86   2HD1  ILE  14          2HD1      ILE  14  -5.299  -5.175  -1.368
   87   3HD1  ILE  14          3HD1      ILE  14  -4.761  -6.779  -0.815
   88    H    LYS  15           H        LYS  15  -0.989  -5.380  -2.786
   89    HA   LYS  15           HA       LYS  15   1.604  -5.678  -1.901
   90   2HB   LYS  15          2HB       LYS  15   0.478  -5.532  -4.710
   91   2HG   LYS  15          2HG       LYS  15   2.615  -7.056  -5.052
   92   2HD   LYS  15          2HD       LYS  15   3.452  -4.203  -4.722
   93   2HE   LYS  15          2HE       LYS  15   4.612  -6.040  -6.126
   94   1HZ   LYS  15          1HZ       LYS  15   2.654  -6.911  -7.158
   95   2HZ   LYS  15          2HZ       LYS  15   2.289  -5.470  -7.834
   96   3HZ   LYS  15          3HZ       LYS  15   3.622  -6.283  -8.313
   97    H    GLN  16           H        GLN  16   0.036  -2.968  -3.669
   98    HA   GLN  16           HA       GLN  16   2.293  -1.587  -4.334
   99   2HB   GLN  16          2HB       GLN  16  -0.411  -1.177  -4.576
  100   2HG   GLN  16          2HG       GLN  16   0.641   1.114  -2.858
  101   1HE2  GLN  16          1HE2      GLN  16  -0.580   2.852  -2.931
  102   2HE2  GLN  16          2HE2      GLN  16  -2.131   3.002  -3.688
  103    H    VAL  17           H        VAL  17   0.575  -1.834  -1.206
  104    HA   VAL  17           HA       VAL  17   1.656   0.309   0.121
  105    HB   VAL  17           HB       VAL  17   1.076  -2.467   1.176
  106   1HG1  VAL  17          1HG1      VAL  17   1.107   0.200   2.630
  107   2HG1  VAL  17          2HG1      VAL  17   0.727  -1.390   3.334
  108   3HG1  VAL  17          3HG1      VAL  17   2.371  -1.049   2.741
  109   1HG2  VAL  17          1HG2      VAL  17  -0.684  -0.821  -0.136
  110   2HG2  VAL  17          2HG2      VAL  17  -1.133  -2.039   1.080
  111   3HG2  VAL  17          3HG2      VAL  17  -0.926  -0.337   1.559
  112    H    LYS  18           H        LYS  18   3.075  -2.924  -0.579
  113    HA   LYS  18           HA       LYS  18   5.345  -2.590   1.026
  114   2HB   LYS  18          2HB       LYS  18   4.316  -4.490  -0.922
  115   2HG   LYS  18          2HG       LYS  18   6.799  -5.385  -1.202
  116   2HD   LYS  18          2HD       LYS  18   6.929  -3.621  -3.274
  117   2HE   LYS  18          2HE       LYS  18   5.178  -5.167  -4.417
  118   1HZ   LYS  18          1HZ       LYS  18   7.408  -6.419  -2.970
  119   2HZ   LYS  18          2HZ       LYS  18   6.690  -6.996  -4.319
  120   3HZ   LYS  18          3HZ       LYS  18   7.552  -5.610  -4.381
  121    H    LYS  19           H        LYS  19   4.511  -1.567  -2.298
  122    HA   LYS  19           HA       LYS  19   7.120  -0.867  -3.058
  123   2HB   LYS  19          2HB       LYS  19   4.391  -0.585  -4.088
  124   2HG   LYS  19          2HG       LYS  19   5.305   1.211  -5.763
  125   2HD   LYS  19          2HD       LYS  19   4.848   2.996  -3.695
  126   2HE   LYS  19          2HE       LYS  19   2.764   1.303  -5.159
  127   1HZ   LYS  19          1HZ       LYS  19   2.002   3.910  -4.725
  128   2HZ   LYS  19          2HZ       LYS  19   1.344   2.563  -4.079
  129   3HZ   LYS  19          3HZ       LYS  19   2.533   3.353  -3.285
  130    H    LEU  20           H        LEU  20   4.802   0.564  -0.868
  131    HA   LEU  20           HA       LEU  20   6.100   3.157  -1.016
  132   2HB   LEU  20          2HB       LEU  20   3.521   2.401  -0.604
  133    HG   LEU  20           HG       LEU  20   4.143   1.727   1.792
  134   1HD1  LEU  20          1HD1      LEU  20   5.344   3.162   2.985
  135   2HD1  LEU  20          2HD1      LEU  20   5.151   4.438   1.759
  136   3HD1  LEU  20          3HD1      LEU  20   3.922   4.230   3.030
  137   1HD2  LEU  20          1HD2      LEU  20   1.885   3.083   0.700
  138   2HD2  LEU  20          2HD2      LEU  20   1.949   1.914   2.041
  139   3HD2  LEU  20          3HD2      LEU  20   2.127   3.654   2.367
  140    H    PHE  21           H        PHE  21   6.368   0.130   0.643
  141    HA   PHE  21           HA       PHE  21   7.447   1.245   3.052
  142   2HB   PHE  21          2HB       PHE  21   8.185  -1.501   2.677
  143    HD1  PHE  21           1HD      PHE  21   8.334  -1.196   5.096
  144    HD2  PHE  21           2HD      PHE  21   4.612  -0.889   3.080
  145    HE1  PHE  21           1HE      PHE  21   7.129  -1.398   7.289
  146    HE2  PHE  21           2HE      PHE  21   3.408  -1.091   5.272
  147    HZ   PHE  21           HZ       PHE  21   4.680  -1.343   7.351
  148    H    LYS  22           H        LYS  22   8.614   0.508  -0.147
  149    HA   LYS  22           HA       LYS  22  11.161  -0.350   0.251
  150   2HB   LYS  22          2HB       LYS  22   9.759   0.293  -1.901
  151   2HG   LYS  22          2HG       LYS  22  10.810   2.283  -3.006
  152   2HD   LYS  22          2HD       LYS  22   9.804   3.682  -0.648
  153   2HE   LYS  22          2HE       LYS  22   7.850   4.064  -2.288
  154   1HZ   LYS  22          1HZ       LYS  22  10.561   4.864  -2.521
  155   2HZ   LYS  22          2HZ       LYS  22   9.771   4.960  -3.946
  156   3HZ   LYS  22          3HZ       LYS  22   9.201   5.760  -2.642
  157    H    LYS  23           H        LYS  23   9.728   2.736   1.140
  158    HA   LYS  23           HA       LYS  23  12.382   3.852   1.628
  159   2HB   LYS  23          2HB       LYS  23  10.978   5.342   0.428
  160   2HG   LYS  23          2HG       LYS  23   8.880   4.186   2.127
  161   2HD   LYS  23          2HD       LYS  23   9.409   6.732   2.953
  162   2HE   LYS  23          2HE       LYS  23   8.854   7.381   0.432
  163   1HZ   LYS  23          1HZ       LYS  23   6.174   7.330   1.624
  164   2HZ   LYS  23          2HZ       LYS  23   6.577   7.740   0.096
  165   3HZ   LYS  23          3HZ       LYS  23   6.700   6.187   0.584
  166    H    TRP  24           H        TRP  24   9.467   2.568   3.208
  167    HA   TRP  24           HA       TRP  24  10.052   3.543   5.785
  168   2HB   TRP  24          2HB       TRP  24   8.478   1.719   6.497
  169    HD1  TRP  24           HD       TRP  24   8.494   4.733   4.276
  170    HE1  TRP  24           1HE      TRP  24   6.161   5.962   4.197
  171    HE3  TRP  24           3HE      TRP  24   5.861   1.001   6.510
  172    HZ2  TRP  24           2HZ      TRP  24   3.534   5.251   5.058
  173    HZ3  TRP  24           3HZ      TRP  24   3.416   1.348   6.853
  174    HH2  TRP  24           HH       TRP  24   2.252   3.385   6.167
  175    H    GLY  25           H        GLY  25  11.036   2.409   7.580
  176   1HA   GLY  25          1HA       GLY  25  12.046   0.341   8.361
  177   2HA   GLY  25          2HA       GLY  25  12.741   0.131   6.766
  178    H    TRP  26           H        TRP  26  12.709   2.341   9.626
  179    HA   TRP  26           HA       TRP  26  15.563   2.691   9.309
  180   2HB   TRP  26          2HB       TRP  26  14.386   5.291   9.748
  181    HD1  TRP  26           HD       TRP  26  16.296   3.319   6.946
  182    HE1  TRP  26           1HE      TRP  26  18.495   4.605   6.259
  183    HE3  TRP  26           3HE      TRP  26  15.604   7.252  10.093
  184    HZ2  TRP  26           2HZ      TRP  26  19.672   7.068   7.091
  185    HZ3  TRP  26           3HZ      TRP  26  17.325   9.055  10.093
  186    HH2  TRP  26           HH       TRP  26  19.306   9.007   8.660
  Start of MODEL    3
    1   1H    LYS   1           H        LYS   1  -7.577  16.251   8.426
    2    HA   LYS   1           HA       LYS   1  -9.499  16.708   6.890
    3   2HB   LYS   1          2HB       LYS   1  -8.106  19.401   6.802
    4   2HG   LYS   1          2HG       LYS   1 -10.563  18.412   5.282
    5   2HD   LYS   1          2HD       LYS   1 -10.281  20.919   5.898
    6   2HE   LYS   1          2HE       LYS   1  -7.697  20.453   4.830
    7   1HZ   LYS   1          1HZ       LYS   1  -8.456  20.713   2.646
    8   2HZ   LYS   1          2HZ       LYS   1  -9.425  21.974   3.015
    9   3HZ   LYS   1          3HZ       LYS   1  -7.802  22.156   3.042
   10    H    SER   2           H        SER   2  -7.872  14.839   6.573
   11    HA   SER   2           HA       SER   2  -6.893  15.037   4.008
   12   2HB   SER   2          2HB       SER   2  -4.778  15.308   6.182
   13    HG   SER   2           HG       SER   2  -3.238  14.718   4.724
   14    H    SER   3           H        SER   3  -7.651  12.986   3.552
   15    HA   SER   3           HA       SER   3  -6.387  10.835   5.005
   16   2HB   SER   3          2HB       SER   3  -8.456  11.015   6.222
   17    HG   SER   3           HG       SER   3 -10.085  10.654   3.919
   18    H    ALA   4           H        ALA   4  -5.931   9.054   3.663
   19    HA   ALA   4           HA       ALA   4  -7.343   8.470   1.321
   20   1HB   ALA   4          1HB       ALA   4  -5.042  10.380   1.091
   21   2HB   ALA   4          2HB       ALA   4  -5.208   9.116  -0.152
   22   3HB   ALA   4          3HB       ALA   4  -6.534  10.270   0.126
   23    H    TYR   5           H        TYR   5  -7.187   6.385   2.273
   24    HA   TYR   5           HA       TYR   5  -4.457   5.317   2.445
   25   2HB   TYR   5          2HB       TYR   5  -6.000   3.463   3.643
   26    HD1  TYR   5           1HD      TYR   5  -5.875   7.152   4.365
   27    HD2  TYR   5           2HD      TYR   5  -5.105   3.182   5.759
   28    HE1  TYR   5           1HE      TYR   5  -4.889   8.090   6.512
   29    HE2  TYR   5           2HE      TYR   5  -4.121   4.133   7.902
   30    HH   TYR   5           HH       TYR   5  -4.135   7.630   8.495
   31    H    SER   6           H        SER   6  -5.016   5.521  -0.137
   32    HA   SER   6           HA       SER   6  -5.288   4.449  -2.003
   33   2HB   SER   6          2HB       SER   6  -4.997   1.928  -1.992
   34    HG   SER   6           HG       SER   6  -3.114   3.215  -0.219
   35    H    LEU   7           H        LEU   7  -6.743   2.622  -3.181
   36    HA   LEU   7           HA       LEU   7  -9.430   3.041  -2.117
   37   2HB   LEU   7          2HB       LEU   7  -9.359   3.838  -4.271
   38    HG   LEU   7           HG       LEU   7  -7.378   1.719  -4.817
   39   1HD1  LEU   7          1HD1      LEU   7  -9.535   1.138  -6.158
   40   2HD1  LEU   7          2HD1      LEU   7  -9.070   2.532  -7.161
   41   3HD1  LEU   7          3HD1      LEU   7  -7.957   1.154  -6.980
   42   1HD2  LEU   7          1HD2      LEU   7  -7.930   4.430  -6.056
   43   2HD2  LEU   7          2HD2      LEU   7  -6.779   4.080  -4.744
   44   3HD2  LEU   7          3HD2      LEU   7  -6.508   3.407  -6.369
   45    H    GLN   8           H        GLN   8  -7.180   0.481  -3.312
   46    HA   GLN   8           HA       GLN   8  -7.097  -1.656  -2.943
   47   2HB   GLN   8          2HB       GLN   8  -8.835  -2.258  -0.802
   48   2HG   GLN   8          2HG       GLN   8  -6.331  -2.805  -1.209
   49   1HE2  GLN   8          1HE2      GLN   8  -5.282  -1.506   1.467
   50   2HE2  GLN   8          2HE2      GLN   8  -4.386  -0.129   0.919
   51    H    MET   9           H        MET   9  -7.980  -3.047  -4.405
   52    HA   MET   9           HA       MET   9 -10.895  -3.053  -4.562
   53   2HB   MET   9          2HB       MET   9  -9.630  -2.175  -6.594
   54   2HG   MET   9          2HG       MET   9  -7.787  -4.097  -6.120
   55   1HE   MET   9          1HE       MET   9  -7.199  -6.476  -8.806
   56   2HE   MET   9          2HE       MET   9  -8.583  -6.009  -9.822
   57   3HE   MET   9          3HE       MET   9  -7.505  -4.759  -9.157
   58    H    GLY  10           H        GLY  10  -7.898  -4.935  -4.297
   59   1HA   GLY  10          1HA       GLY  10  -9.434  -7.448  -4.385
   60   2HA   GLY  10          2HA       GLY  10  -7.702  -7.277  -4.587
   61    H    ALA  11           H        ALA  11  -6.375  -7.564  -2.823
   62    HA   ALA  11           HA       ALA  11  -7.069  -6.816  -0.221
   63   1HB   ALA  11          1HB       ALA  11  -6.957  -9.691   0.038
   64   2HB   ALA  11          2HB       ALA  11  -8.225  -8.566   0.582
   65   3HB   ALA  11          3HB       ALA  11  -8.285  -9.247  -1.061
   66    H    THR  12           H        THR  12  -5.466  -9.776  -1.595
   67    HA   THR  12           HA       THR  12  -3.234  -9.807  -0.108
   68    HB   THR  12           HB       THR  12  -2.192 -10.921  -2.098
   69    HG1  THR  12           1HG      THR  12  -2.859  -9.732  -3.878
   70   1HG2  THR  12          1HG2      THR  12  -4.675 -11.664  -0.920
   71   2HG2  THR  12          2HG2      THR  12  -4.923 -11.806  -2.677
   72   3HG2  THR  12          3HG2      THR  12  -3.606 -12.707  -1.887
   73    H    ALA  13           H        ALA  13  -3.654  -7.782  -3.080
   74    HA   ALA  13           HA       ALA  13  -1.230  -6.677  -3.305
   75   1HB   ALA  13          1HB       ALA  13  -2.730  -5.883  -4.860
   76   2HB   ALA  13          2HB       ALA  13  -4.030  -5.677  -3.662
   77   3HB   ALA  13          3HB       ALA  13  -2.710  -4.486  -3.758
   78    H    ILE  14           H        ILE  14  -3.725  -5.839  -0.837
   79    HA   ILE  14           HA       ILE  14  -2.642  -3.638   0.285
   80    HB   ILE  14           HB       ILE  14  -3.922  -6.014   1.639
   81   2HG1  ILE  14          2HG1      ILE  14  -5.327  -5.045  -0.082
   82   1HG2  ILE  14          1HG2      ILE  14  -2.957  -4.928   3.437
   83   2HG2  ILE  14          2HG2      ILE  14  -3.115  -3.320   2.692
   84   3HG2  ILE  14          3HG2      ILE  14  -4.553  -4.146   3.337
   85   1HD1  ILE  14          1HD1      ILE  14  -6.031  -5.322   2.596
   86   2HD1  ILE  14          2HD1      ILE  14  -6.583  -3.674   2.214
   87   3HD1  ILE  14          3HD1      ILE  14  -7.171  -5.053   1.255
   88    H    LYS  15           H        LYS  15  -1.650  -7.068   0.878
   89    HA   LYS  15           HA       LYS  15   0.278  -6.479   2.795
   90   2HB   LYS  15          2HB       LYS  15  -0.801  -8.734   1.951
   91   2HG   LYS  15          2HG       LYS  15   0.423  -8.468  -0.315
   92   2HD   LYS  15          2HD       LYS  15   2.696  -8.587   1.578
   93   2HE   LYS  15          2HE       LYS  15   4.086  -9.944  -0.084
   94   1HZ   LYS  15          1HZ       LYS  15   2.516 -10.793   1.962
   95   2HZ   LYS  15          2HZ       LYS  15   2.224 -11.878   0.775
   96   3HZ   LYS  15          3HZ       LYS  15   3.753 -11.619   1.288
   97    H    GLN  16           H        GLN  16   0.390  -6.537  -0.799
   98    HA   GLN  16           HA       GLN  16   3.100  -6.353  -1.090
   99   2HB   GLN  16          2HB       GLN  16   2.603  -5.373  -3.314
  100   2HG   GLN  16          2HG       GLN  16   0.461  -7.404  -2.534
  101   1HE2  GLN  16          1HE2      GLN  16   2.470  -8.652  -4.730
  102   2HE2  GLN  16          2HE2      GLN  16   1.703  -8.212  -6.219
  103    H    VAL  17           H        VAL  17   0.768  -3.965   0.042
  104    HA   VAL  17           HA       VAL  17   2.026  -1.606  -0.564
  105    HB   VAL  17           HB       VAL  17   0.559  -2.378   1.967
  106   1HG1  VAL  17          1HG1      VAL  17   1.255  -0.318   2.599
  107   2HG1  VAL  17          2HG1      VAL  17   1.609   0.194   0.931
  108   3HG1  VAL  17          3HG1      VAL  17  -0.064   0.229   1.537
  109   1HG2  VAL  17          1HG2      VAL  17  -0.835  -0.887  -0.181
  110   2HG2  VAL  17          2HG2      VAL  17  -0.425  -2.576  -0.561
  111   3HG2  VAL  17          3HG2      VAL  17  -1.413  -2.201   0.871
  112    H    LYS  18           H        LYS  18   2.683  -3.933   2.114
  113    HA   LYS  18           HA       LYS  18   4.600  -2.338   3.388
  114   2HB   LYS  18          2HB       LYS  18   3.509  -5.023   3.608
  115   2HG   LYS  18          2HG       LYS  18   5.679  -5.699   4.969
  116   2HD   LYS  18          2HD       LYS  18   6.662  -6.476   2.552
  117   2HE   LYS  18          2HE       LYS  18   4.074  -7.496   3.820
  118   1HZ   LYS  18          1HZ       LYS  18   5.998  -9.085   2.316
  119   2HZ   LYS  18          2HZ       LYS  18   4.424  -9.395   2.623
  120   3HZ   LYS  18          3HZ       LYS  18   4.834  -8.265   1.517
  121    H    LYS  19           H        LYS  19   4.717  -4.566   0.602
  122    HA   LYS  19           HA       LYS  19   7.517  -4.783   0.514
  123   2HB   LYS  19          2HB       LYS  19   5.209  -5.526  -1.145
  124   2HG   LYS  19          2HG       LYS  19   6.925  -5.995  -3.082
  125   2HD   LYS  19          2HD       LYS  19   6.581  -3.313  -3.666
  126   2HE   LYS  19          2HE       LYS  19   4.248  -4.075  -4.497
  127   1HZ   LYS  19          1HZ       LYS  19   5.868  -4.324  -6.053
  128   2HZ   LYS  19          2HZ       LYS  19   6.781  -5.339  -5.157
  129   3HZ   LYS  19          3HZ       LYS  19   5.422  -5.885  -5.878
  130    H    LEU  20           H        LEU  20   5.269  -2.223  -0.292
  131    HA   LEU  20           HA       LEU  20   7.221  -0.906  -1.992
  132   2HB   LEU  20          2HB       LEU  20   4.499  -1.043  -2.049
  133    HG   LEU  20           HG       LEU  20   4.431   0.650  -0.120
  134   1HD1  LEU  20          1HD1      LEU  20   6.132   2.072  -1.958
  135   2HD1  LEU  20          2HD1      LEU  20   4.650   3.008  -1.642
  136   3HD1  LEU  20          3HD1      LEU  20   5.674   2.478  -0.286
  137   1HD2  LEU  20          1HD2      LEU  20   2.946   2.074  -2.119
  138   2HD2  LEU  20          2HD2      LEU  20   2.860   0.328  -2.451
  139   3HD2  LEU  20          3HD2      LEU  20   2.365   0.957  -0.861
  140    H    PHE  21           H        PHE  21   6.392  -1.193   1.335
  141    HA   PHE  21           HA       PHE  21   7.129   1.481   2.050
  142   2HB   PHE  21          2HB       PHE  21   7.299  -0.335   4.263
  143    HD1  PHE  21           1HD      PHE  21   4.014   0.254   2.716
  144    HD2  PHE  21           2HD      PHE  21   6.896   1.689   5.480
  145    HE1  PHE  21           1HE      PHE  21   2.324   1.861   3.643
  146    HE2  PHE  21           2HE      PHE  21   5.205   3.296   6.408
  147    HZ   PHE  21           HZ       PHE  21   2.939   3.364   5.477
  148    H    LYS  22           H        LYS  22   8.790  -1.495   1.323
  149    HA   LYS  22           HA       LYS  22  10.950  -1.374   3.030
  150   2HB   LYS  22          2HB       LYS  22  10.146  -3.028   1.048
  151   2HG   LYS  22          2HG       LYS  22  12.269  -2.998  -0.497
  152   2HD   LYS  22          2HD       LYS  22   9.786  -1.309  -0.680
  153   2HE   LYS  22          2HE       LYS  22  12.128  -0.319  -1.819
  154   1HZ   LYS  22          1HZ       LYS  22  12.415  -1.227  -3.792
  155   2HZ   LYS  22          2HZ       LYS  22  11.409  -2.440  -3.361
  156   3HZ   LYS  22          3HZ       LYS  22  10.829  -1.149  -4.175
  157    H    LYS  23           H        LYS  23   9.966   0.822   0.521
  158    HA   LYS  23           HA       LYS  23  12.661   1.921   0.326
  159   2HB   LYS  23          2HB       LYS  23  11.611   1.588  -1.790
  160   2HG   LYS  23          2HG       LYS  23   9.219   2.616  -0.353
  161   2HD   LYS  23          2HD       LYS  23   8.204   3.647  -2.323
  162   2HE   LYS  23          2HE       LYS  23  10.375   4.795  -0.895
  163   1HZ   LYS  23          1HZ       LYS  23  10.710   4.914  -3.753
  164   2HZ   LYS  23          2HZ       LYS  23  10.877   6.330  -2.957
  165   3HZ   LYS  23          3HZ       LYS  23  11.823   5.058  -2.566
  166    H    TRP  24           H        TRP  24   9.387   2.555   1.596
  167    HA   TRP  24           HA       TRP  24   9.818   5.270   2.199
  168   2HB   TRP  24          2HB       TRP  24   7.881   4.908   3.765
  169    HD1  TRP  24           HD       TRP  24   8.706   4.946   0.195
  170    HE1  TRP  24           1HE      TRP  24   6.635   5.365  -1.385
  171    HE3  TRP  24           3HE      TRP  24   5.162   4.026   3.723
  172    HZ2  TRP  24           2HZ      TRP  24   3.810   5.266  -0.993
  173    HZ3  TRP  24           3HZ      TRP  24   2.770   4.209   3.041
  174    HH2  TRP  24           HH       TRP  24   2.073   4.805   0.776
  175    H    GLY  25           H        GLY  25  10.258   6.220   4.327
  176   1HA   GLY  25          1HA       GLY  25  10.785   5.162   6.694
  177   2HA   GLY  25          2HA       GLY  25  12.205   4.634   5.814
  178    H    TRP  26           H        TRP  26  13.233   6.072   7.573
  179    HA   TRP  26           HA       TRP  26  13.498   8.763   6.447
  180   2HB   TRP  26          2HB       TRP  26  13.129   8.119   9.378
  181    HD1  TRP  26           HD       TRP  26  15.775   9.729   8.745
  182    HE1  TRP  26           1HE      TRP  26  16.115  12.267   9.385
  183    HE3  TRP  26           3HE      TRP  26  10.826  10.860   9.049
  184    HZ2  TRP  26           2HZ      TRP  26  14.317  14.414   9.934
  185    HZ3  TRP  26           3HZ      TRP  26  10.205  13.201   9.643
  186    HH2  TRP  26           HH       TRP  26  11.858  14.948  10.078
  Start of MODEL    4
    1   1H    LYS   1           H        LYS   1  -6.875   9.005  11.777
    2    HA   LYS   1           HA       LYS   1  -8.982   8.550  11.147
    3   2HB   LYS   1          2HB       LYS   1  -8.970   8.570   8.298
    4   2HG   LYS   1          2HG       LYS   1 -10.609   9.402  10.322
    5   2HD   LYS   1          2HD       LYS   1 -10.028  12.044   9.056
    6   2HE   LYS   1          2HE       LYS   1 -11.819  11.440  10.854
    7   1HZ   LYS   1          1HZ       LYS   1 -10.044  12.024  12.933
    8   2HZ   LYS   1          2HZ       LYS   1 -11.063  10.758  12.788
    9   3HZ   LYS   1          3HZ       LYS   1  -9.550  10.661  12.181
   10    H    SER   2           H        SER   2  -6.869   7.370   8.432
   11    HA   SER   2           HA       SER   2  -6.286   5.365   7.829
   12   2HB   SER   2          2HB       SER   2  -7.083   3.574   9.894
   13    HG   SER   2           HG       SER   2  -4.576   4.595  10.322
   14    H    SER   3           H        SER   3  -7.454   4.389   6.218
   15    HA   SER   3           HA       SER   3  -9.630   2.774   6.752
   16   2HB   SER   3          2HB       SER   3 -11.163   4.453   5.204
   17    HG   SER   3           HG       SER   3 -11.029   4.637   8.090
   18    H    ALA   4           H        ALA   4 -10.870   2.361   4.448
   19    HA   ALA   4           HA       ALA   4  -8.984   1.368   2.721
   20   1HB   ALA   4          1HB       ALA   4 -11.302   0.628   2.750
   21   2HB   ALA   4          2HB       ALA   4 -11.860   2.236   2.229
   22   3HB   ALA   4          3HB       ALA   4 -10.907   1.222   1.119
   23    H    TYR   5           H        TYR   5  -8.882   2.056   0.263
   24    HA   TYR   5           HA       TYR   5  -8.122   4.882   0.288
   25   2HB   TYR   5          2HB       TYR   5  -7.075   3.904  -1.983
   26    HD1  TYR   5           1HD      TYR   5  -6.335   1.507   0.721
   27    HD2  TYR   5           2HD      TYR   5  -5.241   5.223  -1.095
   28    HE1  TYR   5           1HE      TYR   5  -4.150   1.508   2.022
   29    HE2  TYR   5           2HE      TYR   5  -3.060   5.211   0.212
   30    HH   TYR   5           HH       TYR   5  -2.121   2.422   2.128
   31    H    SER   6           H        SER   6 -10.690   2.852  -0.661
   32    HA   SER   6           HA       SER   6 -12.229   4.707  -1.733
   33   2HB   SER   6          2HB       SER   6 -11.838   3.870  -4.327
   34    HG   SER   6           HG       SER   6 -10.985   6.139  -2.828
   35    H    LEU   7           H        LEU   7 -10.959   1.408  -1.887
   36    HA   LEU   7           HA       LEU   7 -13.575   0.341  -1.583
   37   2HB   LEU   7          2HB       LEU   7 -12.406   0.484  -4.259
   38    HG   LEU   7           HG       LEU   7 -11.948  -1.925  -3.779
   39   1HD1  LEU   7          1HD1      LEU   7 -14.910  -2.403  -3.659
   40   2HD1  LEU   7          2HD1      LEU   7 -13.565  -3.452  -3.153
   41   3HD1  LEU   7          3HD1      LEU   7 -14.000  -2.029  -2.176
   42   1HD2  LEU   7          1HD2      LEU   7 -14.225  -1.893  -5.710
   43   2HD2  LEU   7          2HD2      LEU   7 -12.830  -0.834  -6.023
   44   3HD2  LEU   7          3HD2      LEU   7 -12.595  -2.590  -5.865
   45    H    GLN   8           H        GLN   8 -10.314  -0.629  -2.876
   46    HA   GLN   8           HA       GLN   8  -8.750  -1.829  -1.880
   47   2HB   GLN   8          2HB       GLN   8 -10.223  -1.218   0.359
   48   2HG   GLN   8          2HG       GLN   8  -9.965  -4.256   0.336
   49   1HE2  GLN   8          1HE2      GLN   8 -12.273  -4.609   1.817
   50   2HE2  GLN   8          2HE2      GLN   8 -12.064  -3.977   3.417
   51    H    MET   9           H        MET   9  -8.114  -3.931  -2.428
   52    HA   MET   9           HA       MET   9 -10.334  -5.726  -3.045
   53   2HB   MET   9          2HB       MET   9  -7.816  -4.958  -4.538
   54   2HG   MET   9          2HG       MET   9  -8.840  -7.743  -4.232
   55   1HE   MET   9          1HE       MET   9 -11.096  -7.056  -6.357
   56   2HE   MET   9          2HE       MET   9 -10.672  -8.546  -7.235
   57   3HE   MET   9          3HE       MET   9 -10.498  -8.474  -5.464
   58    H    GLY  10           H        GLY  10  -6.829  -5.508  -2.146
   59   1HA   GLY  10          1HA       GLY  10  -6.195  -6.753  -0.147
   60   2HA   GLY  10          2HA       GLY  10  -7.147  -8.096  -0.746
   61    H    ALA  11           H        ALA  11  -4.760  -5.854  -2.333
   62    HA   ALA  11           HA       ALA  11  -2.735  -7.780  -2.519
   63   1HB   ALA  11          1HB       ALA  11  -4.840  -8.266  -4.308
   64   2HB   ALA  11          2HB       ALA  11  -3.609  -7.430  -5.285
   65   3HB   ALA  11          3HB       ALA  11  -3.187  -8.920  -4.409
   66    H    THR  12           H        THR  12  -4.344  -5.109  -4.388
   67    HA   THR  12           HA       THR  12  -1.932  -3.933  -5.221
   68    HB   THR  12           HB       THR  12  -4.705  -2.695  -4.809
   69    HG1  THR  12           1HG      THR  12  -5.057  -3.646  -6.885
   70   1HG2  THR  12          1HG2      THR  12  -2.447  -1.362  -5.590
   71   2HG2  THR  12          2HG2      THR  12  -2.921  -2.083  -7.147
   72   3HG2  THR  12          3HG2      THR  12  -4.051  -1.015  -6.279
   73    H    ALA  13           H        ALA  13  -4.073  -3.276  -2.385
   74    HA   ALA  13           HA       ALA  13  -2.946  -1.062  -1.376
   75   1HB   ALA  13          1HB       ALA  13  -4.626  -1.797  -0.019
   76   2HB   ALA  13          2HB       ALA  13  -4.207  -3.511  -0.255
   77   3HB   ALA  13          3HB       ALA  13  -3.284  -2.520   0.900
   78    H    ILE  14           H        ILE  14  -1.667  -4.435  -1.012
   79    HA   ILE  14           HA       ILE  14   0.422  -4.017   0.626
   80    HB   ILE  14           HB       ILE  14   0.259  -5.717  -1.859
   81   2HG1  ILE  14          2HG1      ILE  14  -1.308  -5.939   0.267
   82   1HG2  ILE  14          1HG2      ILE  14   2.417  -6.184  -1.646
   83   2HG2  ILE  14          2HG2      ILE  14   2.546  -5.154  -0.201
   84   3HG2  ILE  14          3HG2      ILE  14   2.072  -6.861  -0.036
   85   1HD1  ILE  14          1HD1      ILE  14  -0.575  -7.593  -1.824
   86   2HD1  ILE  14          2HD1      ILE  14  -0.130  -8.576  -0.409
   87   3HD1  ILE  14          3HD1      ILE  14  -1.802  -7.995  -0.599
   88    H    LYS  15           H        LYS  15   0.367  -3.367  -2.938
   89    HA   LYS  15           HA       LYS  15   2.924  -2.607  -3.333
   90   2HB   LYS  15          2HB       LYS  15   0.410  -1.332  -4.451
   91   2HG   LYS  15          2HG       LYS  15   2.074  -0.988  -6.438
   92   2HD   LYS  15          2HD       LYS  15   2.963   0.852  -4.284
   93   2HE   LYS  15          2HE       LYS  15   2.460   0.953  -7.055
   94   1HZ   LYS  15          1HZ       LYS  15   0.750   2.991  -6.015
   95   2HZ   LYS  15          2HZ       LYS  15   0.592   2.088  -7.367
   96   3HZ   LYS  15          3HZ       LYS  15   0.114   1.489  -5.925
   97    H    GLN  16           H        GLN  16   0.257  -0.510  -2.046
   98    HA   GLN  16           HA       GLN  16   1.732   1.764  -1.782
   99   2HB   GLN  16          2HB       GLN  16   0.017   1.837   0.412
  100   2HG   GLN  16          2HG       GLN  16   0.243   3.114  -2.015
  101   1HE2  GLN  16          1HE2      GLN  16  -3.086   2.815  -1.365
  102   2HE2  GLN  16          2HE2      GLN  16  -3.593   2.025  -2.822
  103    H    VAL  17           H        VAL  17   1.432  -1.049   0.451
  104    HA   VAL  17           HA       VAL  17   2.725   0.002   2.640
  105    HB   VAL  17           HB       VAL  17   2.803  -2.815   1.540
  106   1HG1  VAL  17          1HG1      VAL  17   3.419  -3.576   3.686
  107   2HG1  VAL  17          2HG1      VAL  17   4.480  -2.181   3.374
  108   3HG1  VAL  17          3HG1      VAL  17   3.066  -2.003   4.440
  109   1HG2  VAL  17          1HG2      VAL  17   0.956  -2.043   3.742
  110   2HG2  VAL  17          2HG2      VAL  17   0.550  -1.460   2.111
  111   3HG2  VAL  17          3HG2      VAL  17   0.737  -3.204   2.411
  112    H    LYS  18           H        LYS  18   4.035  -1.303  -0.433
  113    HA   LYS  18           HA       LYS  18   6.706  -1.421   0.397
  114   2HB   LYS  18          2HB       LYS  18   5.173  -1.720  -2.063
  115   2HG   LYS  18          2HG       LYS  18   7.456  -1.377  -3.376
  116   2HD   LYS  18          2HD       LYS  18   6.710   1.238  -3.476
  117   2HE   LYS  18          2HE       LYS  18   4.812   0.444  -5.031
  118   1HZ   LYS  18          1HZ       LYS  18   6.913   0.735  -5.970
  119   2HZ   LYS  18          2HZ       LYS  18   7.544  -0.593  -5.257
  120   3HZ   LYS  18          3HZ       LYS  18   6.451  -0.753  -6.460
  121    H    LYS  19           H        LYS  19   4.632   1.214  -0.852
  122    HA   LYS  19           HA       LYS  19   6.724   3.023  -1.337
  123   2HB   LYS  19          2HB       LYS  19   3.802   3.016  -1.323
  124   2HG   LYS  19          2HG       LYS  19   3.866   5.634  -1.225
  125   2HD   LYS  19          2HD       LYS  19   3.989   5.266   1.517
  126   2HE   LYS  19          2HE       LYS  19   1.711   4.455  -0.353
  127   1HZ   LYS  19          1HZ       LYS  19   1.936   4.825   2.499
  128   2HZ   LYS  19          2HZ       LYS  19   0.608   5.459   1.790
  129   3HZ   LYS  19          3HZ       LYS  19   0.926   3.864   1.650
  130    H    LEU  20           H        LEU  20   5.228   1.808   1.581
  131    HA   LEU  20           HA       LEU  20   6.179   4.072   3.132
  132   2HB   LEU  20          2HB       LEU  20   3.966   2.506   3.328
  133    HG   LEU  20           HG       LEU  20   5.433   0.635   4.301
  134   1HD1  LEU  20          1HD1      LEU  20   6.117   2.807   6.097
  135   2HD1  LEU  20          2HD1      LEU  20   5.458   1.411   6.982
  136   3HD1  LEU  20          3HD1      LEU  20   6.860   1.201   5.907
  137   1HD2  LEU  20          1HD2      LEU  20   2.839   1.625   5.018
  138   2HD2  LEU  20          2HD2      LEU  20   3.428  -0.053   4.948
  139   3HD2  LEU  20          3HD2      LEU  20   3.605   0.891   6.446
  140    H    PHE  21           H        PHE  21   7.271   1.024   1.942
  141    HA   PHE  21           HA       PHE  21   8.959   0.390   4.145
  142   2HB   PHE  21          2HB       PHE  21   9.877  -0.719   1.641
  143    HD1  PHE  21           1HD      PHE  21  10.899  -2.356   3.030
  144    HD2  PHE  21           2HD      PHE  21   6.693  -1.806   3.159
  145    HE1  PHE  21           1HE      PHE  21  10.661  -4.477   4.350
  146    HE2  PHE  21           2HE      PHE  21   6.456  -3.926   4.479
  147    HZ   PHE  21           HZ       PHE  21   8.442  -5.237   5.059
  148    H    LYS  22           H        LYS  22   9.093   2.665   1.521
  149    HA   LYS  22           HA       LYS  22  11.701   2.738   0.792
  150   2HB   LYS  22          2HB       LYS  22   9.594   4.240   0.223
  151   2HG   LYS  22          2HG       LYS  22  10.389   6.629   1.085
  152   2HD   LYS  22          2HD       LYS  22   8.686   4.586   2.546
  153   2HE   LYS  22          2HE       LYS  22   9.778   6.319   4.157
  154   1HZ   LYS  22          1HZ       LYS  22   9.445   8.167   2.585
  155   2HZ   LYS  22          2HZ       LYS  22   7.832   8.063   2.819
  156   3HZ   LYS  22          3HZ       LYS  22   8.814   8.456   4.064
  157    H    LYS  23           H        LYS  23  10.308   3.409   3.955
  158    HA   LYS  23           HA       LYS  23  12.815   4.602   4.845
  159   2HB   LYS  23          2HB       LYS  23  11.025   5.872   5.619
  160   2HG   LYS  23          2HG       LYS  23   9.635   3.227   5.764
  161   2HD   LYS  23          2HD       LYS  23   9.743   4.775   8.114
  162   2HE   LYS  23          2HE       LYS  23   7.132   5.330   8.115
  163   1HZ   LYS  23          1HZ       LYS  23   8.163   7.486   6.802
  164   2HZ   LYS  23          2HZ       LYS  23   8.116   7.261   8.418
  165   3HZ   LYS  23          3HZ       LYS  23   9.445   6.830   7.572
  166    H    TRP  24           H        TRP  24  10.737   1.704   5.199
  167    HA   TRP  24           HA       TRP  24  12.171   0.559   7.320
  168   2HB   TRP  24          2HB       TRP  24  11.074  -1.541   6.584
  169    HD1  TRP  24           HD       TRP  24  10.057   1.919   7.543
  170    HE1  TRP  24           1HE      TRP  24   7.706   2.012   8.739
  171    HE3  TRP  24           3HE      TRP  24   8.670  -2.822   6.338
  172    HZ2  TRP  24           2HZ      TRP  24   5.578   0.133   9.039
  173    HZ3  TRP  24           3HZ      TRP  24   6.440  -3.616   7.121
  174    HH2  TRP  24           HH       TRP  24   4.915  -2.222   8.427
  175    H    GLY  25           H        GLY  25  12.177  -0.249   3.765
  176   1HA   GLY  25          1HA       GLY  25  13.842  -0.914   2.405
  177   2HA   GLY  25          2HA       GLY  25  14.993  -0.255   3.549
  178    H    TRP  26           H        TRP  26  13.831  -3.103   2.107
  179    HA   TRP  26           HA       TRP  26  14.609  -4.787   4.360
  180   2HB   TRP  26          2HB       TRP  26  13.680  -5.953   1.795
  181    HD1  TRP  26           HD       TRP  26  13.601  -6.008   5.665
  182    HE1  TRP  26           1HE      TRP  26  12.956  -8.402   6.565
  183    HE3  TRP  26           3HE      TRP  26  12.503  -7.998   1.116
  184    HZ2  TRP  26           2HZ      TRP  26  12.077 -10.807   5.302
  185    HZ3  TRP  26           3HZ      TRP  26  11.759 -10.376   1.038
  186    HH2  TRP  26           HH       TRP  26  11.540 -11.769   3.034
  Start of MODEL    5
    1   1H    LYS   1           H        LYS   1 -10.569  15.956   5.855
    2    HA   LYS   1           HA       LYS   1 -12.782  15.790   6.153
    3   2HB   LYS   1          2HB       LYS   1 -13.255  17.144   4.203
    4   2HG   LYS   1          2HG       LYS   1 -12.253  14.750   2.786
    5   2HD   LYS   1          2HD       LYS   1 -14.831  16.112   1.877
    6   2HE   LYS   1          2HE       LYS   1 -14.106  14.036   0.092
    7   1HZ   LYS   1          1HZ       LYS   1 -14.641  15.653  -1.292
    8   2HZ   LYS   1          2HZ       LYS   1 -14.877  16.629  -0.004
    9   3HZ   LYS   1          3HZ       LYS   1 -13.442  16.640  -0.784
   10    H    SER   2           H        SER   2 -11.497  13.778   6.966
   11    HA   SER   2           HA       SER   2 -11.202  11.605   7.083
   12   2HB   SER   2          2HB       SER   2 -13.369  11.697   8.090
   13    HG   SER   2           HG       SER   2 -14.498  12.921   6.473
   14    H    SER   3           H        SER   3  -9.789  11.417   5.176
   15    HA   SER   3           HA       SER   3 -11.187  10.207   2.919
   16   2HB   SER   3          2HB       SER   3  -8.822  10.845   1.807
   17    HG   SER   3           HG       SER   3  -9.864  13.117   1.518
   18    H    ALA   4           H        ALA   4 -11.009   7.995   3.083
   19    HA   ALA   4           HA       ALA   4  -8.380   6.854   3.235
   20   1HB   ALA   4          1HB       ALA   4 -10.269   5.800   5.310
   21   2HB   ALA   4          2HB       ALA   4  -8.489   5.848   5.304
   22   3HB   ALA   4          3HB       ALA   4  -9.418   7.324   5.662
   23    H    TYR   5           H        TYR   5 -11.855   5.937   3.831
   24    HA   TYR   5           HA       TYR   5 -13.005   4.188   3.021
   25   2HB   TYR   5          2HB       TYR   5 -13.353   4.530   0.568
   26    HD1  TYR   5           1HD      TYR   5 -12.208   7.477  -0.299
   27    HD2  TYR   5           2HD      TYR   5 -14.493   5.875   2.944
   28    HE1  TYR   5           1HE      TYR   5 -13.288   9.749   0.073
   29    HE2  TYR   5           2HE      TYR   5 -15.565   8.152   3.305
   30    HH   TYR   5           HH       TYR   5 -14.625  10.700   2.687
   31    H    SER   6           H        SER   6 -11.606   2.478   3.897
   32    HA   SER   6           HA       SER   6 -10.477   0.634   3.740
   33   2HB   SER   6          2HB       SER   6 -11.335   0.893   0.840
   34    HG   SER   6           HG       SER   6 -10.170  -0.818   0.295
   35    H    LEU   7           H        LEU   7  -8.376  -0.402   2.884
   36    HA   LEU   7           HA       LEU   7  -6.600   1.725   1.907
   37   2HB   LEU   7          2HB       LEU   7  -4.834   0.748   3.231
   38    HG   LEU   7           HG       LEU   7  -7.308   1.128   4.941
   39   1HD1  LEU   7          1HD1      LEU   7  -5.479  -0.127   6.070
   40   2HD1  LEU   7          2HD1      LEU   7  -4.402   1.261   5.784
   41   3HD1  LEU   7          3HD1      LEU   7  -5.840   1.449   6.816
   42   1HD2  LEU   7          1HD2      LEU   7  -5.179   3.068   4.010
   43   2HD2  LEU   7          2HD2      LEU   7  -6.925   3.109   3.663
   44   3HD2  LEU   7          3HD2      LEU   7  -6.339   3.408   5.317
   45    H    GLN   8           H        GLN   8  -6.807  -1.896   2.207
   46    HA   GLN   8           HA       GLN   8  -6.348  -2.046  -0.627
   47   2HB   GLN   8          2HB       GLN   8  -4.056  -2.026   0.293
   48   2HG   GLN   8          2HG       GLN   8  -3.416  -4.147   1.651
   49   1HE2  GLN   8          1HE2      GLN   8  -5.587  -3.686   3.921
   50   2HE2  GLN   8          2HE2      GLN   8  -5.024  -2.254   4.716
   51    H    MET   9           H        MET   9  -6.719  -4.308  -1.461
   52    HA   MET   9           HA       MET   9  -7.755  -6.217   0.345
   53   2HB   MET   9          2HB       MET   9 -10.058  -6.139  -1.036
   54   2HG   MET   9          2HG       MET   9  -9.962  -3.839   0.862
   55   1HE   MET   9          1HE       MET   9 -11.094  -6.635   2.985
   56   2HE   MET   9          2HE       MET   9 -11.245  -4.877   3.216
   57   3HE   MET   9          3HE       MET   9 -12.705  -5.883   3.067
   58    H    GLY  10           H        GLY  10  -7.855  -5.026  -3.084
   59   1HA   GLY  10          1HA       GLY  10  -8.214  -7.340  -4.456
   60   2HA   GLY  10          2HA       GLY  10  -7.181  -6.030  -4.989
   61    H    ALA  11           H        ALA  11  -4.904  -6.189  -4.816
   62    HA   ALA  11           HA       ALA  11  -3.609  -8.109  -3.245
   63   1HB   ALA  11          1HB       ALA  11  -4.193  -8.866  -6.126
   64   2HB   ALA  11          2HB       ALA  11  -2.825  -9.551  -5.216
   65   3HB   ALA  11          3HB       ALA  11  -4.492  -9.818  -4.652
   66    H    THR  12           H        THR  12  -3.135  -7.060  -6.691
   67    HA   THR  12           HA       THR  12  -0.523  -6.426  -6.588
   68    HB   THR  12           HB       THR  12  -1.057  -4.870  -8.459
   69    HG1  THR  12           1HG      THR  12  -3.720  -5.292  -7.296
   70   1HG2  THR  12          1HG2      THR  12  -1.640  -7.519  -8.542
   71   2HG2  THR  12          2HG2      THR  12  -3.293  -6.877  -8.693
   72   3HG2  THR  12          3HG2      THR  12  -2.052  -6.430  -9.888
   73    H    ALA  13           H        ALA  13  -3.211  -4.243  -5.543
   74    HA   ALA  13           HA       ALA  13  -1.885  -1.985  -4.999
   75   1HB   ALA  13          1HB       ALA  13  -4.165  -3.452  -3.777
   76   2HB   ALA  13          2HB       ALA  13  -3.456  -2.159  -2.782
   77   3HB   ALA  13          3HB       ALA  13  -4.078  -1.791  -4.407
   78    H    ILE  14           H        ILE  14  -1.918  -4.957  -2.930
   79    HA   ILE  14           HA       ILE  14  -0.524  -4.056  -0.788
   80    HB   ILE  14           HB       ILE  14  -0.352  -6.721  -2.194
   81   2HG1  ILE  14          2HG1      ILE  14  -2.587  -5.704  -1.252
   82   1HG2  ILE  14          1HG2      ILE  14   0.458  -7.623  -0.062
   83   2HG2  ILE  14          2HG2      ILE  14   1.590  -6.434  -0.751
   84   3HG2  ILE  14          3HG2      ILE  14   0.533  -5.975   0.607
   85   1HD1  ILE  14          1HD1      ILE  14  -1.722  -8.243  -1.825
   86   2HD1  ILE  14          2HD1      ILE  14  -2.123  -8.411  -0.100
   87   3HD1  ILE  14          3HD1      ILE  14  -3.364  -7.862  -1.252
   88    H    LYS  15           H        LYS  15   0.894  -5.372  -3.862
   89    HA   LYS  15           HA       LYS  15   3.522  -5.153  -3.271
   90   2HB   LYS  15          2HB       LYS  15   2.052  -4.628  -5.862
   91   2HG   LYS  15          2HG       LYS  15   4.363  -5.195  -6.859
   92   2HD   LYS  15          2HD       LYS  15   4.691  -2.580  -5.450
   93   2HE   LYS  15          2HE       LYS  15   5.845  -3.470  -7.634
   94   1HZ   LYS  15          1HZ       LYS  15   4.152  -2.383  -9.397
   95   2HZ   LYS  15          2HZ       LYS  15   4.344  -3.987  -9.160
   96   3HZ   LYS  15          3HZ       LYS  15   3.123  -3.193  -8.422
   97    H    GLN  16           H        GLN  16   1.279  -2.513  -4.271
   98    HA   GLN  16           HA       GLN  16   3.170  -0.552  -4.549
   99   2HB   GLN  16          2HB       GLN  16   1.311   1.031  -4.243
  100   2HG   GLN  16          2HG       GLN  16   0.147  -1.488  -5.497
  101   1HE2  GLN  16          1HE2      GLN  16  -1.338  -1.061  -7.092
  102   2HE2  GLN  16          2HE2      GLN  16  -2.099   0.480  -7.312
  103    H    VAL  17           H        VAL  17   1.470  -1.759  -1.611
  104    HA   VAL  17           HA       VAL  17   2.263   0.192   0.165
  105    HB   VAL  17           HB       VAL  17   0.677  -1.844   0.372
  106   1HG1  VAL  17          1HG1      VAL  17   2.624  -3.291   1.981
  107   2HG1  VAL  17          2HG1      VAL  17   1.511  -3.888   0.727
  108   3HG1  VAL  17          3HG1      VAL  17   3.101  -3.233   0.267
  109   1HG2  VAL  17          1HG2      VAL  17   0.835  -1.761   2.831
  110   2HG2  VAL  17          2HG2      VAL  17   2.424  -0.970   2.699
  111   3HG2  VAL  17          3HG2      VAL  17   0.964  -0.140   2.105
  112    H    LYS  18           H        LYS  18   4.062  -2.543  -1.253
  113    HA   LYS  18           HA       LYS  18   6.207  -2.476   0.558
  114   2HB   LYS  18          2HB       LYS  18   5.488  -3.828  -1.920
  115   2HG   LYS  18          2HG       LYS  18   8.072  -4.374  -2.221
  116   2HD   LYS  18          2HD       LYS  18   8.109  -2.104  -3.723
  117   2HE   LYS  18          2HE       LYS  18   6.473  -3.475  -5.310
  118   1HZ   LYS  18          1HZ       LYS  18   8.801  -3.485  -5.616
  119   2HZ   LYS  18          2HZ       LYS  18   9.060  -4.461  -4.334
  120   3HZ   LYS  18          3HZ       LYS  18   8.314  -5.043  -5.665
  121    H    LYS  19           H        LYS  19   5.415  -0.657  -2.422
  122    HA   LYS  19           HA       LYS  19   7.971   0.507  -2.691
  123   2HB   LYS  19          2HB       LYS  19   5.364   0.644  -3.987
  124   2HG   LYS  19          2HG       LYS  19   5.983   2.960  -4.992
  125   2HD   LYS  19          2HD       LYS  19   5.104   4.003  -2.580
  126   2HE   LYS  19          2HE       LYS  19   3.509   2.491  -4.704
  127   1HZ   LYS  19          1HZ       LYS  19   2.731   3.928  -2.352
  128   2HZ   LYS  19          2HZ       LYS  19   1.955   4.395  -3.712
  129   3HZ   LYS  19          3HZ       LYS  19   1.894   2.835  -3.230
  130    H    LEU  20           H        LEU  20   5.378   0.948  -0.440
  131    HA   LEU  20           HA       LEU  20   6.148   3.685   0.139
  132   2HB   LEU  20          2HB       LEU  20   3.762   2.353   0.204
  133    HG   LEU  20           HG       LEU  20   4.470   1.297   2.425
  134   1HD1  LEU  20          1HD1      LEU  20   5.287   2.579   4.037
  135   2HD1  LEU  20          2HD1      LEU  20   5.062   4.025   3.024
  136   3HD1  LEU  20          3HD1      LEU  20   3.753   3.481   4.100
  137   1HD2  LEU  20          1HD2      LEU  20   2.078   2.872   3.079
  138   2HD2  LEU  20          2HD2      LEU  20   2.041   2.120   1.465
  139   3HD2  LEU  20          3HD2      LEU  20   2.294   1.112   2.911
  140    H    PHE  21           H        PHE  21   7.006   0.451   0.999
  141    HA   PHE  21           HA       PHE  21   7.692   0.933   3.698
  142   2HB   PHE  21          2HB       PHE  21   9.294  -1.084   2.253
  143    HD1  PHE  21           1HD      PHE  21   9.972  -2.099   4.242
  144    HD2  PHE  21           2HD      PHE  21   5.840  -1.384   3.598
  145    HE1  PHE  21           1HE      PHE  21   9.422  -3.431   6.297
  146    HE2  PHE  21           2HE      PHE  21   5.288  -2.715   5.653
  147    HZ   PHE  21           HZ       PHE  21   7.086  -3.723   6.977
  148    H    LYS  22           H        LYS  22   9.121   1.854   0.667
  149    HA   LYS  22           HA       LYS  22  11.794   1.718   1.085
  150   2HB   LYS  22          2HB       LYS  22  10.316   2.710  -0.857
  151   2HG   LYS  22          2HG       LYS  22  10.931   5.284  -0.825
  152   2HD   LYS  22          2HD       LYS  22   8.614   3.951   0.620
  153   2HE   LYS  22          2HE       LYS  22   9.161   6.323   1.536
  154   1HZ   LYS  22          1HZ       LYS  22   8.005   7.880  -0.201
  155   2HZ   LYS  22          2HZ       LYS  22   9.620   7.641  -0.209
  156   3HZ   LYS  22          3HZ       LYS  22   8.670   6.834  -1.265
  157    H    LYS  23           H        LYS  23   9.413   3.633   2.836
  158    HA   LYS  23           HA       LYS  23  11.558   5.155   4.107
  159   2HB   LYS  23          2HB       LYS  23   9.846   6.590   3.371
  160   2HG   LYS  23          2HG       LYS  23   8.096   4.307   4.086
  161   2HD   LYS  23          2HD       LYS  23   7.540   6.183   5.813
  162   2HE   LYS  23          2HE       LYS  23   5.847   7.824   4.636
  163   1HZ   LYS  23          1HZ       LYS  23   8.401   8.076   5.416
  164   2HZ   LYS  23          2HZ       LYS  23   8.463   8.647   3.886
  165   3HZ   LYS  23          3HZ       LYS  23   7.434   9.312   4.966
  166    H    TRP  24           H        TRP  24   9.023   2.695   4.670
  167    HA   TRP  24           HA       TRP  24   9.371   2.663   7.489
  168   2HB   TRP  24          2HB       TRP  24   8.051   0.584   7.363
  169    HD1  TRP  24           HD       TRP  24   7.685   4.131   6.545
  170    HE1  TRP  24           1HE      TRP  24   5.182   4.962   6.428
  171    HE3  TRP  24           3HE      TRP  24   5.605  -0.504   6.332
  172    HZ2  TRP  24           2HZ      TRP  24   2.671   3.617   6.262
  173    HZ3  TRP  24           3HZ      TRP  24   3.121  -0.657   6.193
  174    HH2  TRP  24           HH       TRP  24   1.665   1.307   6.157
  175    H    GLY  25           H        GLY  25  10.069   0.068   5.035
  176   1HA   GLY  25          1HA       GLY  25  12.019  -1.086   4.705
  177   2HA   GLY  25          2HA       GLY  25  12.774  -0.234   6.037
  178    H    TRP  26           H        TRP  26  13.272  -2.905   5.928
  179    HA   TRP  26           HA       TRP  26  11.506  -4.687   6.982
  180   2HB   TRP  26          2HB       TRP  26  13.867  -5.417   8.169
  181    HD1  TRP  26           HD       TRP  26  12.000  -5.389   4.782
  182    HE1  TRP  26           1HE      TRP  26  12.158  -7.740   3.592
  183    HE3  TRP  26           3HE      TRP  26  15.286  -7.429   8.083
  184    HZ2  TRP  26           2HZ      TRP  26  13.605 -10.134   4.153
  185    HZ3  TRP  26           3HZ      TRP  26  16.021  -9.778   7.690
  186    HH2  TRP  26           HH       TRP  26  15.235 -11.121   5.805
  Start of MODEL    6
    1   1H    LYS   1           H        LYS   1  -6.381   7.689   4.453
    2    HA   LYS   1           HA       LYS   1  -6.248   9.609   6.509
    3   2HB   LYS   1          2HB       LYS   1  -5.409  10.346   3.754
    4   2HG   LYS   1          2HG       LYS   1  -3.231  10.350   5.484
    5   2HD   LYS   1          2HD       LYS   1  -5.326  12.517   4.987
    6   2HE   LYS   1          2HE       LYS   1  -3.902  13.010   7.003
    7   1HZ   LYS   1          1HZ       LYS   1  -1.897  12.066   5.260
    8   2HZ   LYS   1          2HZ       LYS   1  -1.522  13.553   5.820
    9   3HZ   LYS   1          3HZ       LYS   1  -1.820  12.337   6.869
   10    H    SER   2           H        SER   2  -7.589   9.861   3.134
   11    HA   SER   2           HA       SER   2  -9.810  11.310   4.195
   12   2HB   SER   2          2HB       SER   2  -9.277  13.156   2.335
   13    HG   SER   2           HG       SER   2  -8.605  12.929   5.049
   14    H    SER   3           H        SER   3 -11.395  11.869   2.325
   15    HA   SER   3           HA       SER   3 -12.513  11.323   0.543
   16   2HB   SER   3          2HB       SER   3 -10.015   9.951  -0.539
   17    HG   SER   3           HG       SER   3 -11.849  11.363  -2.176
   18    H    ALA   4           H        ALA   4 -10.199   8.551   1.063
   19    HA   ALA   4           HA       ALA   4 -12.532   6.870   1.625
   20   1HB   ALA   4          1HB       ALA   4 -11.562   5.088   0.235
   21   2HB   ALA   4          2HB       ALA   4 -11.864   6.546  -0.739
   22   3HB   ALA   4          3HB       ALA   4 -10.210   6.156  -0.212
   23    H    TYR   5           H        TYR   5 -12.212   5.383   3.288
   24    HA   TYR   5           HA       TYR   5  -9.504   5.354   4.436
   25   2HB   TYR   5          2HB       TYR   5 -10.729   5.345   6.646
   26    HD1  TYR   5           1HD      TYR   5 -12.963   7.323   4.421
   27    HD2  TYR   5           2HD      TYR   5  -9.624   7.402   7.096
   28    HE1  TYR   5           1HE      TYR   5 -13.029   9.864   4.440
   29    HE2  TYR   5           2HE      TYR   5  -9.702   9.943   7.106
   30    HH   TYR   5           HH       TYR   5 -11.797  11.681   6.642
   31    H    SER   6           H        SER   6  -9.812   3.393   2.712
   32    HA   SER   6           HA       SER   6 -10.684   1.150   4.361
   33   2HB   SER   6          2HB       SER   6 -11.571   0.029   2.468
   34    HG   SER   6           HG       SER   6 -13.173   1.379   1.914
   35    H    LEU   7           H        LEU   7  -9.283  -0.680   4.406
   36    HA   LEU   7           HA       LEU   7  -6.581  -0.168   4.029
   37   2HB   LEU   7          2HB       LEU   7  -6.519  -2.780   4.186
   38    HG   LEU   7           HG       LEU   7  -6.908  -2.787   6.580
   39   1HD1  LEU   7          1HD1      LEU   7  -5.301  -1.112   7.258
   40   2HD1  LEU   7          2HD1      LEU   7  -4.816  -1.809   5.693
   41   3HD1  LEU   7          3HD1      LEU   7  -5.568  -0.197   5.754
   42   1HD2  LEU   7          1HD2      LEU   7  -9.010  -1.351   6.406
   43   2HD2  LEU   7          2HD2      LEU   7  -7.945  -1.068   7.803
   44   3HD2  LEU   7          3HD2      LEU   7  -7.918   0.054   6.422
   45    H    GLN   8           H        GLN   8  -7.440  -3.179   2.510
   46    HA   GLN   8           HA       GLN   8  -7.020  -1.985  -0.104
   47   2HB   GLN   8          2HB       GLN   8  -5.682  -4.512  -0.100
   48   2HG   GLN   8          2HG       GLN   8  -5.259  -2.202  -1.326
   49   1HE2  GLN   8          1HE2      GLN   8  -4.647  -0.199  -1.061
   50   2HE2  GLN   8          2HE2      GLN   8  -3.754   0.460   0.268
   51    H    MET   9           H        MET   9  -7.516  -3.682  -1.905
   52    HA   MET   9           HA       MET   9  -9.369  -5.695  -0.981
   53   2HB   MET   9          2HB       MET   9 -10.870  -3.812  -1.351
   54   2HG   MET   9          2HG       MET   9  -9.664  -3.433  -4.125
   55   1HE   MET   9          1HE       MET   9 -11.685  -1.006  -1.144
   56   2HE   MET   9          2HE       MET   9  -9.962  -0.985  -1.587
   57   3HE   MET   9          3HE       MET   9 -11.072   0.223  -2.276
   58    H    GLY  10           H        GLY  10  -7.774  -4.046  -3.781
   59   1HA   GLY  10          1HA       GLY  10  -8.100  -6.056  -5.677
   60   2HA   GLY  10          2HA       GLY  10  -6.815  -4.864  -5.640
   61    H    ALA  11           H        ALA  11  -4.741  -5.405  -4.840
   62    HA   ALA  11           HA       ALA  11  -4.029  -7.437  -3.218
   63   1HB   ALA  11          1HB       ALA  11  -3.285  -8.946  -5.450
   64   2HB   ALA  11          2HB       ALA  11  -4.587  -9.337  -4.300
   65   3HB   ALA  11          3HB       ALA  11  -4.960  -8.458  -5.802
   66    H    THR  12           H        THR  12  -2.934  -7.016  -6.649
   67    HA   THR  12           HA       THR  12  -0.289  -6.808  -6.223
   68    HB   THR  12           HB       THR  12  -1.183  -6.813  -8.463
   69    HG1  THR  12           1HG      THR  12   0.134  -5.105  -9.196
   70   1HG2  THR  12          1HG2      THR  12  -2.321  -4.020  -8.019
   71   2HG2  THR  12          2HG2      THR  12  -2.635  -5.136  -9.369
   72   3HG2  THR  12          3HG2      THR  12  -3.323  -5.468  -7.761
   73    H    ALA  13           H        ALA  13  -2.620  -4.051  -5.962
   74    HA   ALA  13           HA       ALA  13  -0.970  -1.999  -5.510
   75   1HB   ALA  13          1HB       ALA  13  -3.058  -1.200  -5.215
   76   2HB   ALA  13          2HB       ALA  13  -3.671  -2.788  -4.698
   77   3HB   ALA  13          3HB       ALA  13  -2.907  -1.701  -3.515
   78    H    ILE  14           H        ILE  14  -1.731  -4.661  -3.209
   79    HA   ILE  14           HA       ILE  14  -0.621  -3.683  -0.931
   80    HB   ILE  14           HB       ILE  14  -0.565  -6.483  -2.053
   81   2HG1  ILE  14          2HG1      ILE  14  -2.793  -5.313  -1.716
   82   1HG2  ILE  14          1HG2      ILE  14   1.159  -6.206  -0.319
   83   2HG2  ILE  14          2HG2      ILE  14  -0.079  -5.592   0.802
   84   3HG2  ILE  14          3HG2      ILE  14  -0.168  -7.268   0.211
   85   1HD1  ILE  14          1HD1      ILE  14  -2.591  -7.784  -1.742
   86   2HD1  ILE  14          2HD1      ILE  14  -2.172  -7.772  -0.013
   87   3HD1  ILE  14          3HD1      ILE  14  -3.794  -7.262  -0.539
   88    H    LYS  15           H        LYS  15   1.100  -5.421  -3.612
   89    HA   LYS  15           HA       LYS  15   3.609  -5.416  -2.563
   90   2HB   LYS  15          2HB       LYS  15   2.617  -6.317  -4.817
   91   2HG   LYS  15          2HG       LYS  15   2.341  -3.871  -5.662
   92   2HD   LYS  15          2HD       LYS  15   5.290  -4.101  -5.361
   93   2HE   LYS  15          2HE       LYS  15   5.582  -2.566  -7.418
   94   1HZ   LYS  15          1HZ       LYS  15   6.454  -4.666  -7.643
   95   2HZ   LYS  15          2HZ       LYS  15   5.008  -5.423  -7.584
   96   3HZ   LYS  15          3HZ       LYS  15   5.440  -4.589  -8.920
   97    H    GLN  16           H        GLN  16   1.853  -2.719  -4.172
   98    HA   GLN  16           HA       GLN  16   3.965  -0.994  -4.385
   99   2HB   GLN  16          2HB       GLN  16   2.270   0.784  -4.506
  100   2HG   GLN  16          2HG       GLN  16   1.003  -1.753  -5.622
  101   1HE2  GLN  16          1HE2      GLN  16   2.317   0.750  -7.559
  102   2HE2  GLN  16          2HE2      GLN  16   0.851   1.568  -7.988
  103    H    VAL  17           H        VAL  17   1.758  -1.635  -1.603
  104    HA   VAL  17           HA       VAL  17   2.592   0.417   0.044
  105    HB   VAL  17           HB       VAL  17   0.692  -1.322   0.238
  106   1HG1  VAL  17          1HG1      VAL  17   1.143  -3.413   0.884
  107   2HG1  VAL  17          2HG1      VAL  17   2.868  -3.048   0.639
  108   3HG1  VAL  17          3HG1      VAL  17   2.135  -2.842   2.248
  109   1HG2  VAL  17          1HG2      VAL  17   1.020   0.511   1.816
  110   2HG2  VAL  17          2HG2      VAL  17   0.564  -0.976   2.681
  111   3HG2  VAL  17          3HG2      VAL  17   2.258  -0.429   2.684
  112    H    LYS  18           H        LYS  18   4.125  -2.689  -0.798
  113    HA   LYS  18           HA       LYS  18   5.992  -2.694   1.302
  114   2HB   LYS  18          2HB       LYS  18   5.421  -4.226  -1.114
  115   2HG   LYS  18          2HG       LYS  18   7.899  -5.170  -0.937
  116   2HD   LYS  18          2HD       LYS  18   8.530  -3.137  -2.625
  117   2HE   LYS  18          2HE       LYS  18   7.153  -4.393  -4.388
  118   1HZ   LYS  18          1HZ       LYS  18   8.333  -6.572  -3.151
  119   2HZ   LYS  18          2HZ       LYS  18   8.920  -5.676  -4.385
  120   3HZ   LYS  18          3HZ       LYS  18   9.277  -5.274  -2.844
  121    H    LYS  19           H        LYS  19   5.874  -1.143  -1.918
  122    HA   LYS  19           HA       LYS  19   8.596  -0.392  -1.937
  123   2HB   LYS  19          2HB       LYS  19   6.228  -0.048  -3.599
  124   2HG   LYS  19          2HG       LYS  19   7.316   2.029  -4.723
  125   2HD   LYS  19          2HD       LYS  19   6.296   3.453  -2.574
  126   2HE   LYS  19          2HE       LYS  19   4.781   1.941  -4.755
  127   1HZ   LYS  19          1HZ       LYS  19   2.971   2.896  -3.979
  128   2HZ   LYS  19          2HZ       LYS  19   3.779   3.310  -2.621
  129   3HZ   LYS  19          3HZ       LYS  19   3.675   4.364  -3.863
  130    H    LEU  20           H        LEU  20   5.841   0.668  -0.129
  131    HA   LEU  20           HA       LEU  20   6.942   3.320   0.281
  132   2HB   LEU  20          2HB       LEU  20   4.394   2.353   0.140
  133    HG   LEU  20           HG       LEU  20   4.643   1.452   2.519
  134   1HD1  LEU  20          1HD1      LEU  20   5.554   4.135   2.954
  135   2HD1  LEU  20          2HD1      LEU  20   4.081   3.852   3.912
  136   3HD1  LEU  20          3HD1      LEU  20   5.482   2.769   4.091
  137   1HD2  LEU  20          1HD2      LEU  20   2.469   3.409   2.721
  138   2HD2  LEU  20          2HD2      LEU  20   2.512   2.541   1.168
  139   3HD2  LEU  20          3HD2      LEU  20   2.422   1.631   2.695
  140    H    PHE  21           H        PHE  21   7.207   0.126   1.555
  141    HA   PHE  21           HA       PHE  21   7.630   0.836   4.265
  142   2HB   PHE  21          2HB       PHE  21   9.029  -1.569   3.293
  143    HD1  PHE  21           1HD      PHE  21   9.268  -2.307   5.511
  144    HD2  PHE  21           2HD      PHE  21   5.415  -1.267   4.069
  145    HE1  PHE  21           1HE      PHE  21   8.232  -3.263   7.588
  146    HE2  PHE  21           2HE      PHE  21   4.380  -2.222   6.146
  147    HZ   PHE  21           HZ       PHE  21   5.800  -3.209   7.880
  148    H    LYS  22           H        LYS  22   9.540   1.082   1.359
  149    HA   LYS  22           HA       LYS  22  12.089   0.661   2.328
  150   2HB   LYS  22          2HB       LYS  22  11.051   1.274  -0.068
  151   2HG   LYS  22          2HG       LYS  22  12.279   3.540  -0.604
  152   2HD   LYS  22          2HD       LYS  22   9.574   3.110   0.647
  153   2HE   LYS  22          2HE       LYS  22  10.953   5.563   1.018
  154   1HZ   LYS  22          1HZ       LYS  22  10.340   5.784  -1.429
  155   2HZ   LYS  22          2HZ       LYS  22   8.803   5.975  -0.910
  156   3HZ   LYS  22          3HZ       LYS  22   9.962   7.019  -0.430
  157    H    LYS  23           H        LYS  23   9.756   3.101   3.155
  158    HA   LYS  23           HA       LYS  23  11.863   4.810   4.246
  159   2HB   LYS  23          2HB       LYS  23  10.226   5.920   2.826
  160   2HG   LYS  23          2HG       LYS  23   8.352   4.268   4.361
  161   2HD   LYS  23          2HD       LYS  23   8.011   7.282   4.360
  162   2HE   LYS  23          2HE       LYS  23   5.722   5.281   4.607
  163   1HZ   LYS  23          1HZ       LYS  23   6.013   7.939   5.246
  164   2HZ   LYS  23          2HZ       LYS  23   5.079   7.904   3.907
  165   3HZ   LYS  23          3HZ       LYS  23   4.632   7.067   5.237
  166    H    TRP  24           H        TRP  24   9.307   2.516   5.067
  167    HA   TRP  24           HA       TRP  24   9.185   3.288   7.817
  168   2HB   TRP  24          2HB       TRP  24   7.960   1.053   7.980
  169    HD1  TRP  24           HD       TRP  24   7.606   4.513   6.801
  170    HE1  TRP  24           1HE      TRP  24   5.104   5.310   6.545
  171    HE3  TRP  24           3HE      TRP  24   5.552  -0.132   7.031
  172    HZ2  TRP  24           2HZ      TRP  24   2.602   3.938   6.469
  173    HZ3  TRP  24           3HZ      TRP  24   3.073  -0.316   6.858
  174    HH2  TRP  24           HH       TRP  24   1.609   1.623   6.586
  175    H    GLY  25           H        GLY  25  10.360   0.303   6.084
  176   1HA   GLY  25          1HA       GLY  25  12.788   0.273   7.642
  177   2HA   GLY  25          2HA       GLY  25  11.639  -0.969   8.103
  178    H    TRP  26           H        TRP  26  12.236  -2.893   7.203
  179    HA   TRP  26           HA       TRP  26  13.659  -2.931   4.710
  180   2HB   TRP  26          2HB       TRP  26  13.583  -5.411   5.084
  181    HD1  TRP  26           HD       TRP  26  14.452  -2.629   7.676
  182    HE1  TRP  26           1HE      TRP  26  16.898  -2.961   8.609
  183    HE3  TRP  26           3HE      TRP  26  15.337  -7.025   5.276
  184    HZ2  TRP  26           2HZ      TRP  26  18.884  -4.979   8.248
  185    HZ3  TRP  26           3HZ      TRP  26  17.555  -8.110   5.621
  186    HH2  TRP  26           HH       TRP  26  19.296  -7.157   7.047
  Start of MODEL    7
    1   1H    LYS   1           H        LYS   1 -17.901   9.608   0.585
    2    HA   LYS   1           HA       LYS   1 -16.190  11.373   0.203
    3   2HB   LYS   1          2HB       LYS   1 -17.455  13.328   0.547
    4   2HG   LYS   1          2HG       LYS   1 -18.243  13.660   3.110
    5   2HD   LYS   1          2HD       LYS   1 -19.523  12.974   0.622
    6   2HE   LYS   1          2HE       LYS   1 -20.360  11.341   3.005
    7   1HZ   LYS   1          1HZ       LYS   1 -22.415  12.089   2.905
    8   2HZ   LYS   1          2HZ       LYS   1 -22.096  13.088   1.654
    9   3HZ   LYS   1          3HZ       LYS   1 -22.534  11.540   1.372
   10    H    SER   2           H        SER   2 -14.385  10.497   1.062
   11    HA   SER   2           HA       SER   2 -14.091  10.128   3.803
   12   2HB   SER   2          2HB       SER   2 -14.436   7.535   2.234
   13    HG   SER   2           HG       SER   2 -13.002   7.261   3.994
   14    H    SER   3           H        SER   3 -11.888   9.267   4.316
   15    HA   SER   3           HA       SER   3 -10.201   8.614   2.132
   16   2HB   SER   3          2HB       SER   3  -8.750  10.765   3.247
   17    HG   SER   3           HG       SER   3  -9.777  11.695   1.011
   18    H    ALA   4           H        ALA   4  -9.708   6.735   3.352
   19    HA   ALA   4           HA       ALA   4  -8.516   7.218   5.990
   20   1HB   ALA   4          1HB       ALA   4  -8.936   4.762   6.300
   21   2HB   ALA   4          2HB       ALA   4 -10.419   5.708   6.028
   22   3HB   ALA   4          3HB       ALA   4  -9.727   4.738   4.705
   23    H    TYR   5           H        TYR   5  -6.722   5.446   6.472
   24    HA   TYR   5           HA       TYR   5  -4.578   6.009   4.799
   25   2HB   TYR   5          2HB       TYR   5  -4.849   5.106   7.284
   26    HD1  TYR   5           1HD      TYR   5  -7.065   3.527   6.691
   27    HD2  TYR   5           2HD      TYR   5  -2.961   2.318   6.645
   28    HE1  TYR   5           1HE      TYR   5  -7.765   1.111   7.065
   29    HE2  TYR   5           2HE      TYR   5  -3.675  -0.093   7.020
   30    HH   TYR   5           HH       TYR   5  -6.047  -1.383   6.402
   31    H    SER   6           H        SER   6  -7.192   3.768   4.384
   32    HA   SER   6           HA       SER   6  -5.814   2.718   2.082
   33   2HB   SER   6          2HB       SER   6  -6.681   0.369   2.691
   34    HG   SER   6           HG       SER   6  -4.604   1.674   4.218
   35    H    LEU   7           H        LEU   7  -7.409   1.557   0.585
   36    HA   LEU   7           HA       LEU   7 -10.182   2.269   1.140
   37   2HB   LEU   7          2HB       LEU   7  -9.747   4.139  -0.076
   38    HG   LEU   7           HG       LEU   7  -7.385   2.875  -0.966
   39   1HD1  LEU   7          1HD1      LEU   7  -9.154   3.695  -3.286
   40   2HD1  LEU   7          2HD1      LEU   7  -7.401   3.400  -3.388
   41   3HD1  LEU   7          3HD1      LEU   7  -8.504   2.073  -2.948
   42   1HD2  LEU   7          1HD2      LEU   7  -7.876   5.257  -0.153
   43   2HD2  LEU   7          2HD2      LEU   7  -6.663   5.049  -1.438
   44   3HD2  LEU   7          3HD2      LEU   7  -8.303   5.609  -1.846
   45    H    GLN   8           H        GLN   8  -7.794   0.651  -1.042
   46    HA   GLN   8           HA       GLN   8  -9.636  -1.590  -1.097
   47   2HB   GLN   8          2HB       GLN   8  -8.555  -1.691  -3.640
   48   2HG   GLN   8          2HG       GLN   8 -11.131  -0.274  -2.806
   49   1HE2  GLN   8          1HE2      GLN   8 -12.042   0.671  -4.448
   50   2HE2  GLN   8          2HE2      GLN   8 -11.944   0.219  -6.117
   51    H    MET   9           H        MET   9  -8.619  -3.620  -1.017
   52    HA   MET   9           HA       MET   9  -5.702  -3.485  -0.995
   53   2HB   MET   9          2HB       MET   9  -6.467  -3.864   1.284
   54   2HG   MET   9          2HG       MET   9  -7.975  -6.053   1.577
   55   1HE   MET   9          1HE       MET   9 -11.539  -4.146   1.437
   56   2HE   MET   9          2HE       MET   9 -10.842  -4.604  -0.136
   57   3HE   MET   9          3HE       MET   9 -10.765  -5.737   1.235
   58    H    GLY  10           H        GLY  10  -8.660  -5.240  -1.926
   59   1HA   GLY  10          1HA       GLY  10  -8.959  -7.160  -3.110
   60   2HA   GLY  10          2HA       GLY  10  -7.878  -6.341  -4.220
   61    H    ALA  11           H        ALA  11  -5.703  -7.012  -4.443
   62    HA   ALA  11           HA       ALA  11  -4.615  -8.916  -2.593
   63   1HB   ALA  11          1HB       ALA  11  -5.491 -10.714  -3.659
   64   2HB   ALA  11          2HB       ALA  11  -5.942  -9.761  -5.092
   65   3HB   ALA  11          3HB       ALA  11  -4.278 -10.366  -4.914
   66    H    THR  12           H        THR  12  -4.338  -7.808  -6.050
   67    HA   THR  12           HA       THR  12  -1.539  -7.783  -6.049
   68    HB   THR  12           HB       THR  12  -1.905  -6.441  -8.146
   69    HG1  THR  12           1HG      THR  12  -3.664  -5.122  -7.542
   70   1HG2  THR  12          1HG2      THR  12  -3.062  -9.023  -7.593
   71   2HG2  THR  12          2HG2      THR  12  -4.236  -8.104  -8.565
   72   3HG2  THR  12          3HG2      THR  12  -2.584  -8.362  -9.175
   73    H    ALA  13           H        ALA  13  -3.942  -5.195  -5.316
   74    HA   ALA  13           HA       ALA  13  -2.344  -3.035  -5.163
   75   1HB   ALA  13          1HB       ALA  13  -4.469  -2.450  -4.606
   76   2HB   ALA  13          2HB       ALA  13  -4.788  -4.000  -3.791
   77   3HB   ALA  13          3HB       ALA  13  -3.911  -2.709  -2.936
   78    H    ILE  14           H        ILE  14  -2.726  -5.601  -2.634
   79    HA   ILE  14           HA       ILE  14  -1.247  -4.585  -0.634
   80    HB   ILE  14           HB       ILE  14  -1.308  -7.406  -1.702
   81   2HG1  ILE  14          2HG1      ILE  14  -3.430  -6.098  -0.875
   82   1HG2  ILE  14          1HG2      ILE  14  -0.498  -6.615   1.096
   83   2HG2  ILE  14          2HG2      ILE  14  -0.352  -8.197   0.292
   84   3HG2  ILE  14          3HG2      ILE  14   0.687  -6.842  -0.213
   85   1HD1  ILE  14          1HD1      ILE  14  -4.406  -8.163  -0.307
   86   2HD1  ILE  14          2HD1      ILE  14  -3.001  -8.669  -1.273
   87   3HD1  ILE  14          3HD1      ILE  14  -2.934  -8.747   0.504
   88    H    LYS  15           H        LYS  15   0.048  -6.269  -3.571
   89    HA   LYS  15           HA       LYS  15   2.698  -6.221  -2.939
   90   2HB   LYS  15          2HB       LYS  15   1.335  -5.860  -5.621
   91   2HG   LYS  15          2HG       LYS  15   3.606  -6.939  -6.364
   92   2HD   LYS  15          2HD       LYS  15   4.190  -4.141  -5.533
   93   2HE   LYS  15          2HE       LYS  15   4.529  -5.920  -7.838
   94   1HZ   LYS  15          1HZ       LYS  15   4.050  -3.205  -8.666
   95   2HZ   LYS  15          2HZ       LYS  15   3.831  -4.599  -9.487
   96   3HZ   LYS  15          3HZ       LYS  15   2.718  -4.111  -8.396
   97    H    GLN  16           H        GLN  16   0.683  -3.575  -4.345
   98    HA   GLN  16           HA       GLN  16   2.703  -1.806  -4.822
   99   2HB   GLN  16          2HB       GLN  16   0.936  -0.046  -4.620
  100   2HG   GLN  16          2HG       GLN  16   0.336  -2.668  -6.022
  101   1HE2  GLN  16          1HE2      GLN  16  -1.009  -1.841  -8.123
  102   2HE2  GLN  16          2HE2      GLN  16  -2.575  -1.216  -7.727
  103    H    VAL  17           H        VAL  17   0.955  -2.545  -1.766
  104    HA   VAL  17           HA       VAL  17   1.841  -0.446  -0.228
  105    HB   VAL  17           HB       VAL  17   1.396  -3.331   0.565
  106   1HG1  VAL  17          1HG1      VAL  17   1.044  -2.566   2.795
  107   2HG1  VAL  17          2HG1      VAL  17   2.576  -1.846   2.247
  108   3HG1  VAL  17          3HG1      VAL  17   1.096  -0.859   2.294
  109   1HG2  VAL  17          1HG2      VAL  17  -0.421  -1.736  -0.678
  110   2HG2  VAL  17          2HG2      VAL  17  -0.842  -3.005   0.498
  111   3HG2  VAL  17          3HG2      VAL  17  -0.719  -1.308   1.023
  112    H    LYS  18           H        LYS  18   3.504  -3.465  -1.220
  113    HA   LYS  18           HA       LYS  18   5.688  -3.167   0.521
  114   2HB   LYS  18          2HB       LYS  18   4.860  -4.913  -1.660
  115   2HG   LYS  18          2HG       LYS  18   7.406  -5.624  -1.896
  116   2HD   LYS  18          2HD       LYS  18   7.520  -3.655  -3.773
  117   2HE   LYS  18          2HE       LYS  18   5.843  -5.183  -5.110
  118   1HZ   LYS  18          1HZ       LYS  18   8.132  -5.491  -5.366
  119   2HZ   LYS  18          2HZ       LYS  18   8.327  -6.130  -3.875
  120   3HZ   LYS  18          3HZ       LYS  18   7.544  -6.977  -5.031
  121    H    LYS  19           H        LYS  19   4.885  -1.849  -2.703
  122    HA   LYS  19           HA       LYS  19   7.477  -0.900  -3.263
  123   2HB   LYS  19          2HB       LYS  19   4.799  -0.765  -4.431
  124   2HG   LYS  19          2HG       LYS  19   5.556   1.268  -5.863
  125   2HD   LYS  19          2HD       LYS  19   4.941   2.799  -3.637
  126   2HE   LYS  19          2HE       LYS  19   3.078   1.105  -5.368
  127   1HZ   LYS  19          1HZ       LYS  19   1.463   2.768  -4.722
  128   2HZ   LYS  19          2HZ       LYS  19   1.973   1.923  -3.420
  129   3HZ   LYS  19          3HZ       LYS  19   2.520   3.440  -3.674
  130    H    LEU  20           H        LEU  20   5.041   0.062  -0.998
  131    HA   LEU  20           HA       LEU  20   6.100   2.776  -0.870
  132   2HB   LEU  20          2HB       LEU  20   3.558   1.793  -0.695
  133    HG   LEU  20           HG       LEU  20   4.076   0.996   1.680
  134   1HD1  LEU  20          1HD1      LEU  20   4.956   3.731   1.896
  135   2HD1  LEU  20          2HD1      LEU  20   3.640   3.414   3.052
  136   3HD1  LEU  20          3HD1      LEU  20   5.099   2.395   3.064
  137   1HD2  LEU  20          1HD2      LEU  20   1.824   1.095   1.143
  138   2HD2  LEU  20          2HD2      LEU  20   1.933   2.159   2.566
  139   3HD2  LEU  20          3HD2      LEU  20   1.840   2.862   0.934
  140    H    PHE  21           H        PHE  21   6.576  -0.360   0.454
  141    HA   PHE  21           HA       PHE  21   7.430   0.621   3.032
  142   2HB   PHE  21          2HB       PHE  21   8.249  -2.087   2.490
  143    HD1  PHE  21           1HD      PHE  21   4.663  -1.542   2.899
  144    HD2  PHE  21           2HD      PHE  21   8.368  -1.960   4.925
  145    HE1  PHE  21           1HE      PHE  21   3.439  -1.912   5.059
  146    HE2  PHE  21           2HE      PHE  21   7.144  -2.330   7.084
  147    HZ   PHE  21           HZ       PHE  21   4.695  -2.302   7.126
  148    H    LYS  22           H        LYS  22   8.758   0.091  -0.147
  149    HA   LYS  22           HA       LYS  22  11.387  -0.566   0.606
  150   2HB   LYS  22          2HB       LYS  22  10.810  -1.080  -1.594
  151   2HG   LYS  22          2HG       LYS  22   8.833   0.294  -1.917
  152   2HD   LYS  22          2HD       LYS  22  10.764   2.515  -1.345
  153   2HE   LYS  22          2HE       LYS  22   9.151   2.507  -3.753
  154   1HZ   LYS  22          1HZ       LYS  22   7.649   4.114  -3.344
  155   2HZ   LYS  22          2HZ       LYS  22   7.626   3.429  -1.862
  156   3HZ   LYS  22          3HZ       LYS  22   8.484   4.795  -2.117
  157    H    LYS  23           H        LYS  23   9.528   2.248   1.103
  158    HA   LYS  23           HA       LYS  23  11.988   3.840   1.332
  159   2HB   LYS  23          2HB       LYS  23  10.615   4.778  -0.393
  160   2HG   LYS  23          2HG       LYS  23   8.428   4.056   1.475
  161   2HD   LYS  23          2HD       LYS  23   8.647   6.705   1.448
  162   2HE   LYS  23          2HE       LYS  23   8.734   6.499  -1.209
  163   1HZ   LYS  23          1HZ       LYS  23   6.842   5.735  -2.009
  164   2HZ   LYS  23          2HZ       LYS  23   6.085   5.778  -0.562
  165   3HZ   LYS  23          3HZ       LYS  23   6.108   7.106  -1.510
  166    H    TRP  24           H        TRP  24  10.109   1.899   3.101
  167    HA   TRP  24           HA       TRP  24   9.777   3.781   5.321
  168   2HB   TRP  24          2HB       TRP  24   8.591   1.646   6.274
  169    HD1  TRP  24           HD       TRP  24   8.116   4.598   3.977
  170    HE1  TRP  24           1HE      TRP  24   5.640   5.513   4.008
  171    HE3  TRP  24           3HE      TRP  24   6.132   0.655   6.501
  172    HZ2  TRP  24           2HZ      TRP  24   3.186   4.508   5.062
  173    HZ3  TRP  24           3HZ      TRP  24   3.688   0.700   6.991
  174    HH2  TRP  24           HH       TRP  24   2.228   2.540   6.314
  175    H    GLY  25           H        GLY  25  10.509   2.969   7.505
  176   1HA   GLY  25          1HA       GLY  25  12.825   1.146   7.262
  177   2HA   GLY  25          2HA       GLY  25  12.913   2.665   8.132
  178    H    TRP  26           H        TRP  26  12.743   2.449  10.314
  179    HA   TRP  26           HA       TRP  26  11.678   0.042  11.425
  180   2HB   TRP  26          2HB       TRP  26  13.576   0.996  12.472
  181    HD1  TRP  26           HD       TRP  26  11.162   3.880  11.813
  182    HE1  TRP  26           1HE      TRP  26  12.244   6.215  12.394
  183    HE3  TRP  26           3HE      TRP  26  15.287   1.988  14.104
  184    HZ2  TRP  26           2HZ      TRP  26  14.650   6.992  13.717
  185    HZ3  TRP  26           3HZ      TRP  26  16.955   3.604  15.013
  186    HH2  TRP  26           HH       TRP  26  16.687   6.027  14.848
  Start of MODEL    8
    1   1H    LYS   1           H        LYS   1 -11.574  12.034   9.274
    2    HA   LYS   1           HA       LYS   1 -10.488  10.746   7.803
    3   2HB   LYS   1          2HB       LYS   1 -10.273  13.091   6.981
    4   2HG   LYS   1          2HG       LYS   1  -8.420  13.488   8.914
    5   2HD   LYS   1          2HD       LYS   1  -6.588  13.341   6.546
    6   2HE   LYS   1          2HE       LYS   1  -5.023  12.605   8.459
    7   1HZ   LYS   1          1HZ       LYS   1  -6.386  15.183   8.807
    8   2HZ   LYS   1          2HZ       LYS   1  -4.863  14.815   9.268
    9   3HZ   LYS   1          3HZ       LYS   1  -5.237  14.899   7.680
   10    H    SER   2           H        SER   2  -8.917   9.147   7.539
   11    HA   SER   2           HA       SER   2  -6.464   9.331   8.925
   12   2HB   SER   2          2HB       SER   2  -7.845   8.732  10.855
   13    HG   SER   2           HG       SER   2  -9.163   6.908  10.876
   14    H    SER   3           H        SER   3  -5.615   8.882   6.820
   15    HA   SER   3           HA       SER   3  -4.815   7.599   5.261
   16   2HB   SER   3          2HB       SER   3  -4.820   5.128   5.484
   17    HG   SER   3           HG       SER   3  -4.365   6.677   7.875
   18    H    ALA   4           H        ALA   4  -7.881   5.843   6.163
   19    HA   ALA   4           HA       ALA   4  -9.541   5.112   4.859
   20   1HB   ALA   4          1HB       ALA   4  -9.530   7.889   3.659
   21   2HB   ALA   4          2HB       ALA   4 -10.918   6.873   4.116
   22   3HB   ALA   4          3HB       ALA   4  -9.916   7.632   5.377
   23    H    TYR   5           H        TYR   5 -10.149   6.489   2.152
   24    HA   TYR   5           HA       TYR   5  -9.825   5.998   0.014
   25   2HB   TYR   5          2HB       TYR   5  -7.072   5.652  -0.295
   26    HD1  TYR   5           1HD      TYR   5  -6.615   8.677   1.158
   27    HD2  TYR   5           2HD      TYR   5  -8.983   6.932  -1.948
   28    HE1  TYR   5           1HE      TYR   5  -6.825  10.947   0.032
   29    HE2  TYR   5           2HE      TYR   5  -9.184   9.207  -3.064
   30    HH   TYR   5           HH       TYR   5  -8.971  11.819  -1.874
   31    H    SER   6           H        SER   6 -10.331   3.752   1.828
   32    HA   SER   6           HA       SER   6 -10.438   1.586   1.750
   33   2HB   SER   6          2HB       SER   6 -10.058   0.376  -0.338
   34    HG   SER   6           HG       SER   6 -10.791   2.700  -1.636
   35    H    LEU   7           H        LEU   7  -9.128  -0.387   2.133
   36    HA   LEU   7           HA       LEU   7  -6.255   0.193   2.289
   37   2HB   LEU   7          2HB       LEU   7  -6.967   0.464   4.492
   38    HG   LEU   7           HG       LEU   7  -9.159  -1.149   3.939
   39   1HD1  LEU   7          1HD1      LEU   7  -7.095  -2.726   5.346
   40   2HD1  LEU   7          2HD1      LEU   7  -8.713  -2.746   6.087
   41   3HD1  LEU   7          3HD1      LEU   7  -8.503  -3.252   4.393
   42   1HD2  LEU   7          1HD2      LEU   7  -9.910  -0.551   6.116
   43   2HD2  LEU   7          2HD2      LEU   7  -8.245  -0.329   6.704
   44   3HD2  LEU   7          3HD2      LEU   7  -8.925   0.801   5.509
   45    H    GLN   8           H        GLN   8  -8.765  -2.429   2.493
   46    HA   GLN   8           HA       GLN   8  -7.008  -3.960   0.744
   47   2HB   GLN   8          2HB       GLN   8  -8.566  -5.017   3.145
   48   2HG   GLN   8          2HG       GLN   8  -7.055  -6.374   0.892
   49   1HE2  GLN   8          1HE2      GLN   8  -8.556  -8.665   2.496
   50   2HE2  GLN   8          2HE2      GLN   8  -7.332  -9.260   3.566
   51    H    MET   9           H        MET   9  -8.084  -5.318  -0.809
   52    HA   MET   9           HA       MET   9 -10.788  -5.800  -0.815
   53   2HB   MET   9          2HB       MET   9 -11.056  -3.348  -1.113
   54   2HG   MET   9          2HG       MET   9  -9.417  -3.640  -3.671
   55   1HE   MET   9          1HE       MET   9  -9.625  -1.933  -5.317
   56   2HE   MET   9          2HE       MET   9 -11.329  -2.359  -5.028
   57   3HE   MET   9          3HE       MET   9 -10.859  -0.653  -5.222
   58    H    GLY  10           H        GLY  10  -7.824  -5.083  -2.697
   59   1HA   GLY  10          1HA       GLY  10  -8.599  -7.187  -4.626
   60   2HA   GLY  10          2HA       GLY  10  -7.524  -5.845  -4.961
   61    H    ALA  11           H        ALA  11  -5.340  -6.173  -4.765
   62    HA   ALA  11           HA       ALA  11  -4.199  -7.748  -2.745
   63   1HB   ALA  11          1HB       ALA  11  -3.958  -9.072  -5.450
   64   2HB   ALA  11          2HB       ALA  11  -3.636  -9.746  -3.835
   65   3HB   ALA  11          3HB       ALA  11  -5.313  -9.474  -4.367
   66    H    THR  12           H        THR  12  -3.584  -7.204  -6.292
   67    HA   THR  12           HA       THR  12  -0.943  -6.680  -6.208
   68    HB   THR  12           HB       THR  12  -2.059  -6.730  -8.324
   69    HG1  THR  12           1HG      THR  12  -1.433  -4.590  -9.112
   70   1HG2  THR  12          1HG2      THR  12  -4.165  -5.378  -6.973
   71   2HG2  THR  12          2HG2      THR  12  -3.567  -4.221  -8.187
   72   3HG2  THR  12          3HG2      THR  12  -4.129  -5.831  -8.694
   73    H    ALA  13           H        ALA  13  -3.553  -4.285  -5.480
   74    HA   ALA  13           HA       ALA  13  -2.145  -2.031  -5.184
   75   1HB   ALA  13          1HB       ALA  13  -4.573  -3.196  -4.076
   76   2HB   ALA  13          2HB       ALA  13  -3.788  -2.115  -2.898
   77   3HB   ALA  13          3HB       ALA  13  -4.227  -1.506  -4.512
   78    H    ILE  14           H        ILE  14  -2.304  -4.748  -2.800
   79    HA   ILE  14           HA       ILE  14  -0.915  -3.656  -0.743
   80    HB   ILE  14           HB       ILE  14  -0.842  -6.461  -1.850
   81   2HG1  ILE  14          2HG1      ILE  14  -3.058  -5.493  -1.148
   82   1HG2  ILE  14          1HG2      ILE  14  -0.052  -5.655   0.951
   83   2HG2  ILE  14          2HG2      ILE  14   0.142  -7.232   0.147
   84   3HG2  ILE  14          3HG2      ILE  14   1.131  -5.842  -0.366
   85   1HD1  ILE  14          1HD1      ILE  14  -3.127  -7.816  -1.036
   86   2HD1  ILE  14          2HD1      ILE  14  -1.749  -7.907   0.087
   87   3HD1  ILE  14          3HD1      ILE  14  -3.355  -7.426   0.685
   88    H    LYS  15           H        LYS  15   0.498  -5.333  -3.637
   89    HA   LYS  15           HA       LYS  15   3.122  -5.156  -3.038
   90   2HB   LYS  15          2HB       LYS  15   1.706  -4.796  -5.687
   91   2HG   LYS  15          2HG       LYS  15   3.999  -5.549  -6.596
   92   2HD   LYS  15          2HD       LYS  15   4.428  -2.840  -5.407
   93   2HE   LYS  15          2HE       LYS  15   4.963  -4.291  -7.875
   94   1HZ   LYS  15          1HZ       LYS  15   4.502  -2.005  -9.062
   95   2HZ   LYS  15          2HZ       LYS  15   3.419  -3.227  -9.078
   96   3HZ   LYS  15          3HZ       LYS  15   3.236  -1.989  -8.030
   97    H    GLN  16           H        GLN  16   1.001  -2.525  -4.300
   98    HA   GLN  16           HA       GLN  16   2.973  -0.672  -4.717
   99   2HB   GLN  16          2HB       GLN  16   0.236  -0.733  -4.955
  100   2HG   GLN  16          2HG       GLN  16   0.914   1.349  -2.824
  101   1HE2  GLN  16          1HE2      GLN  16  -1.100   2.278  -1.943
  102   2HE2  GLN  16          2HE2      GLN  16  -2.386   2.682  -3.031
  103    H    VAL  17           H        VAL  17   1.187  -1.544  -1.710
  104    HA   VAL  17           HA       VAL  17   2.043   0.520  -0.100
  105    HB   VAL  17           HB       VAL  17   0.365  -1.414   0.262
  106   1HG1  VAL  17          1HG1      VAL  17   1.100  -3.458   0.787
  107   2HG1  VAL  17          2HG1      VAL  17   2.727  -2.916   0.310
  108   3HG1  VAL  17          3HG1      VAL  17   2.218  -2.814   2.013
  109   1HG2  VAL  17          1HG2      VAL  17   0.506  -1.132   2.707
  110   2HG2  VAL  17          2HG2      VAL  17   2.132  -0.431   2.529
  111   3HG2  VAL  17          3HG2      VAL  17   0.720   0.413   1.850
  112    H    LYS  18           H        LYS  18   3.739  -2.404  -1.244
  113    HA   LYS  18           HA       LYS  18   5.862  -2.268   0.589
  114   2HB   LYS  18          2HB       LYS  18   5.115  -3.803  -1.773
  115   2HG   LYS  18          2HG       LYS  18   7.676  -4.486  -1.977
  116   2HD   LYS  18          2HD       LYS  18   7.838  -2.362  -3.673
  117   2HE   LYS  18          2HE       LYS  18   6.166  -3.796  -5.164
  118   1HZ   LYS  18          1HZ       LYS  18   8.012  -4.819  -5.805
  119   2HZ   LYS  18          2HZ       LYS  18   8.786  -3.930  -4.676
  120   3HZ   LYS  18          3HZ       LYS  18   8.329  -5.461  -4.337
  121    H    LYS  19           H        LYS  19   5.186  -0.690  -2.553
  122    HA   LYS  19           HA       LYS  19   7.793   0.337  -2.883
  123   2HB   LYS  19          2HB       LYS  19   5.211   0.468  -4.228
  124   2HG   LYS  19          2HG       LYS  19   5.943   2.656  -5.425
  125   2HD   LYS  19          2HD       LYS  19   5.084   3.948  -3.129
  126   2HE   LYS  19          2HE       LYS  19   3.452   2.323  -5.138
  127   1HZ   LYS  19          1HZ       LYS  19   1.680   3.763  -4.469
  128   2HZ   LYS  19          2HZ       LYS  19   2.206   2.933  -3.165
  129   3HZ   LYS  19          3HZ       LYS  19   2.615   4.502  -3.353
  130    H    LEU  20           H        LEU  20   5.197   1.085  -0.720
  131    HA   LEU  20           HA       LEU  20   6.076   3.829  -0.376
  132   2HB   LEU  20          2HB       LEU  20   3.637   2.608  -0.227
  133    HG   LEU  20           HG       LEU  20   4.274   1.720   2.085
  134   1HD1  LEU  20          1HD1      LEU  20   4.966   4.468   2.457
  135   2HD1  LEU  20          2HD1      LEU  20   3.636   4.057   3.565
  136   3HD1  LEU  20          3HD1      LEU  20   5.138   3.102   3.584
  137   1HD2  LEU  20          1HD2      LEU  20   1.943   3.454   2.553
  138   2HD2  LEU  20          2HD2      LEU  20   1.894   2.542   1.025
  139   3HD2  LEU  20          3HD2      LEU  20   2.086   1.680   2.570
  140    H    PHE  21           H        PHE  21   6.789   0.652   0.781
  141    HA   PHE  21           HA       PHE  21   7.468   1.345   3.434
  142   2HB   PHE  21          2HB       PHE  21   8.993  -0.861   2.200
  143    HD1  PHE  21           1HD      PHE  21   9.609  -1.705   4.289
  144    HD2  PHE  21           2HD      PHE  21   5.515  -0.903   3.511
  145    HE1  PHE  21           1HE      PHE  21   8.981  -2.819   6.449
  146    HE2  PHE  21           2HE      PHE  21   4.887  -2.018   5.670
  147    HZ   PHE  21           HZ       PHE  21   6.627  -2.963   7.114
  148    H    LYS  22           H        LYS  22   8.965   1.926   0.352
  149    HA   LYS  22           HA       LYS  22  11.625   1.714   0.818
  150   2HB   LYS  22          2HB       LYS  22  10.210   2.587  -1.227
  151   2HG   LYS  22          2HG       LYS  22  10.942   5.124  -1.421
  152   2HD   LYS  22          2HD       LYS  22   8.551   4.031   0.103
  153   2HE   LYS  22          2HE       LYS  22   9.197   6.448   0.814
  154   1HZ   LYS  22          1HZ       LYS  22   8.937   8.085  -0.729
  155   2HZ   LYS  22          2HZ       LYS  22   9.647   6.940  -1.652
  156   3HZ   LYS  22          3HZ       LYS  22   8.035   7.184  -1.749
  157    H    LYS  23           H        LYS  23   9.314   3.880   2.353
  158    HA   LYS  23           HA       LYS  23  11.510   5.423   3.508
  159   2HB   LYS  23          2HB       LYS  23   9.866   6.855   2.630
  160   2HG   LYS  23          2HG       LYS  23   8.014   4.716   3.525
  161   2HD   LYS  23          2HD       LYS  23   7.541   6.824   5.031
  162   2HE   LYS  23          2HE       LYS  23   7.519   8.085   2.526
  163   1HZ   LYS  23          1HZ       LYS  23   5.472   7.951   1.772
  164   2HZ   LYS  23          2HZ       LYS  23   4.990   7.016   3.021
  165   3HZ   LYS  23          3HZ       LYS  23   4.897   8.643   3.135
  166    H    TRP  24           H        TRP  24   8.869   3.131   4.266
  167    HA   TRP  24           HA       TRP  24   9.173   3.341   7.075
  168   2HB   TRP  24          2HB       TRP  24   7.817   1.274   7.107
  169    HD1  TRP  24           HD       TRP  24   7.540   4.745   5.930
  170    HE1  TRP  24           1HE      TRP  24   5.056   5.612   5.728
  171    HE3  TRP  24           3HE      TRP  24   5.359   0.160   6.222
  172    HZ2  TRP  24           2HZ      TRP  24   2.514   4.313   5.715
  173    HZ3  TRP  24           3HZ      TRP  24   2.871   0.047   6.107
  174    HH2  TRP  24           HH       TRP  24   1.459   2.027   5.862
  175    H    GLY  25           H        GLY  25   9.793   0.437   4.985
  176   1HA   GLY  25          1HA       GLY  25  11.280  -1.247   5.284
  177   2HA   GLY  25          2HA       GLY  25  12.441   0.064   5.210
  178    H    TRP  26           H        TRP  26  10.627  -2.132   7.339
  179    HA   TRP  26           HA       TRP  26  12.118  -1.104   9.642
  180   2HB   TRP  26          2HB       TRP  26  10.321  -3.063  10.496
  181    HD1  TRP  26           HD       TRP  26  10.942   0.717  10.063
  182    HE1  TRP  26           1HE      TRP  26  10.073   2.075  12.152
  183    HE3  TRP  26           3HE      TRP  26   8.631  -3.212  12.314
  184    HZ2  TRP  26           2HZ      TRP  26   8.552   1.368  14.460
  185    HZ3  TRP  26           3HZ      TRP  26   7.477  -2.793  14.483
  186    HH2  TRP  26           HH       TRP  26   7.414  -0.598  15.557
  Start of MODEL    9
    1   1H    LYS   1           H        LYS   1 -10.690  17.043   6.579
    2    HA   LYS   1           HA       LYS   1  -9.031  17.109   9.001
    3   2HB   LYS   1          2HB       LYS   1 -10.977  15.696   9.985
    4   2HG   LYS   1          2HG       LYS   1 -12.254  17.911  10.477
    5   2HD   LYS   1          2HD       LYS   1  -9.272  17.551  10.989
    6   2HE   LYS   1          2HE       LYS   1 -10.657  19.985  11.251
    7   1HZ   LYS   1          1HZ       LYS   1 -10.526  18.547  13.808
    8   2HZ   LYS   1          2HZ       LYS   1 -10.696  20.166  13.686
    9   3HZ   LYS   1          3HZ       LYS   1 -11.858  19.176  13.104
   10    H    SER   2           H        SER   2 -11.084  14.841   7.028
   11    HA   SER   2           HA       SER   2  -8.809  13.020   7.156
   12   2HB   SER   2          2HB       SER   2 -11.199  11.599   6.458
   13    HG   SER   2           HG       SER   2  -9.262  10.945   7.805
   14    H    SER   3           H        SER   3  -8.306  11.800   5.201
   15    HA   SER   3           HA       SER   3  -9.228  13.211   2.847
   16   2HB   SER   3          2HB       SER   3  -6.850  13.124   2.944
   17    HG   SER   3           HG       SER   3  -6.015  11.596   4.193
   18    H    ALA   4           H        ALA   4  -8.645   9.829   4.054
   19    HA   ALA   4           HA       ALA   4 -11.034   8.964   2.685
   20   1HB   ALA   4          1HB       ALA   4  -9.700   7.082   1.570
   21   2HB   ALA   4          2HB       ALA   4  -9.530   8.702   0.852
   22   3HB   ALA   4          3HB       ALA   4  -8.246   8.054   1.900
   23    H    TYR   5           H        TYR   5 -11.795   6.908   3.500
   24    HA   TYR   5           HA       TYR   5 -10.226   5.707   5.630
   25   2HB   TYR   5          2HB       TYR   5 -11.639   7.585   6.613
   26    HD1  TYR   5           1HD      TYR   5 -12.909   8.315   4.330
   27    HD2  TYR   5           2HD      TYR   5 -14.423   5.588   7.259
   28    HE1  TYR   5           1HE      TYR   5 -15.283   8.777   3.545
   29    HE2  TYR   5           2HE      TYR   5 -16.791   6.060   6.464
   30    HH   TYR   5           HH       TYR   5 -17.633   8.636   4.743
   31    H    SER   6           H        SER   6 -10.525   4.454   3.279
   32    HA   SER   6           HA       SER   6 -12.638   2.545   3.881
   33   2HB   SER   6          2HB       SER   6 -13.026   2.261   1.433
   34    HG   SER   6           HG       SER   6 -14.096   4.047   2.832
   35    H    LEU   7           H        LEU   7 -12.184   0.391   2.558
   36    HA   LEU   7           HA       LEU   7  -9.281  -0.020   2.443
   37   2HB   LEU   7          2HB       LEU   7 -10.613  -0.894   4.518
   38    HG   LEU   7           HG       LEU   7 -11.258  -2.956   2.416
   39   1HD1  LEU   7          1HD1      LEU   7 -11.574  -4.629   4.160
   40   2HD1  LEU   7          2HD1      LEU   7  -9.880  -4.089   4.098
   41   3HD1  LEU   7          3HD1      LEU   7 -10.957  -3.494   5.384
   42   1HD2  LEU   7          1HD2      LEU   7 -13.066  -2.523   4.694
   43   2HD2  LEU   7          2HD2      LEU   7 -12.811  -1.085   3.676
   44   3HD2  LEU   7          3HD2      LEU   7 -13.404  -2.597   2.947
   45    H    GLN   8           H        GLN   8  -8.589  -0.791   0.518
   46    HA   GLN   8           HA       GLN   8 -10.111  -2.671  -0.910
   47   2HB   GLN   8          2HB       GLN   8  -9.951  -0.748  -2.944
   48   2HG   GLN   8          2HG       GLN   8 -12.470  -1.102  -1.303
   49   1HE2  GLN   8          1HE2      GLN   8 -12.337  -2.788  -4.178
   50   2HE2  GLN   8          2HE2      GLN   8 -13.033  -1.627  -5.259
   51    H    MET   9           H        MET   9  -8.523  -3.991  -1.676
   52    HA   MET   9           HA       MET   9  -6.317  -2.767  -3.053
   53   2HB   MET   9          2HB       MET   9  -4.734  -4.337  -1.664
   54   2HG   MET   9          2HG       MET   9  -5.937  -2.196   0.102
   55   1HE   MET   9          1HE       MET   9  -4.708  -0.944   1.335
   56   2HE   MET   9          2HE       MET   9  -3.656  -1.933   2.376
   57   3HE   MET   9          3HE       MET   9  -2.946  -0.699   1.308
   58    H    GLY  10           H        GLY  10  -7.537  -5.902  -1.665
   59   1HA   GLY  10          1HA       GLY  10  -8.361  -7.641  -3.006
   60   2HA   GLY  10          2HA       GLY  10  -7.436  -7.045  -4.370
   61    H    ALA  11           H        ALA  11  -5.164  -7.511  -4.550
   62    HA   ALA  11           HA       ALA  11  -3.957  -9.109  -2.464
   63   1HB   ALA  11          1HB       ALA  11  -4.377 -11.098  -3.417
   64   2HB   ALA  11          2HB       ALA  11  -5.252 -10.304  -4.749
   65   3HB   ALA  11          3HB       ALA  11  -3.495 -10.564  -4.868
   66    H    THR  12           H        THR  12  -3.317  -8.810  -6.013
   67    HA   THR  12           HA       THR  12  -0.667  -8.382  -5.919
   68    HB   THR  12           HB       THR  12  -1.794  -8.604  -8.035
   69    HG1  THR  12           1HG      THR  12  -0.588  -6.955  -8.954
   70   1HG2  THR  12          1HG2      THR  12  -3.184  -5.939  -7.448
   71   2HG2  THR  12          2HG2      THR  12  -3.402  -6.960  -8.890
   72   3HG2  THR  12          3HG2      THR  12  -3.987  -7.521  -7.305
   73    H    ALA  13           H        ALA  13  -3.172  -5.807  -5.504
   74    HA   ALA  13           HA       ALA  13  -1.665  -3.603  -5.396
   75   1HB   ALA  13          1HB       ALA  13  -3.355  -3.371  -3.159
   76   2HB   ALA  13          2HB       ALA  13  -3.738  -2.925  -4.840
   77   3HB   ALA  13          3HB       ALA  13  -4.167  -4.540  -4.228
   78    H    ILE  14           H        ILE  14  -1.907  -6.141  -2.848
   79    HA   ILE  14           HA       ILE  14  -0.582  -4.924  -0.814
   80    HB   ILE  14           HB       ILE  14  -0.477  -7.790  -1.751
   81   2HG1  ILE  14          2HG1      ILE  14  -2.677  -6.516  -1.021
   82   1HG2  ILE  14          1HG2      ILE  14   1.454  -7.266  -0.307
   83   2HG2  ILE  14          2HG2      ILE  14   0.338  -6.678   0.948
   84   3HG2  ILE  14          3HG2      ILE  14   0.307  -8.390   0.462
   85   1HD1  ILE  14          1HD1      ILE  14  -2.171  -9.068  -1.404
   86   2HD1  ILE  14          2HD1      ILE  14  -2.115  -9.148   0.373
   87   3HD1  ILE  14          3HD1      ILE  14  -3.601  -8.610  -0.447
   88    H    LYS  15           H        LYS  15   0.910  -6.775  -3.559
   89    HA   LYS  15           HA       LYS  15   3.518  -6.536  -2.883
   90   2HB   LYS  15          2HB       LYS  15   2.014  -6.736  -5.442
   91   2HG   LYS  15          2HG       LYS  15   4.525  -6.881  -6.418
   92   2HD   LYS  15          2HD       LYS  15   3.304  -4.119  -6.132
   93   2HE   LYS  15          2HE       LYS  15   5.114  -5.531  -7.982
   94   1HZ   LYS  15          1HZ       LYS  15   3.511  -3.776  -9.492
   95   2HZ   LYS  15          2HZ       LYS  15   3.985  -5.299  -9.845
   96   3HZ   LYS  15          3HZ       LYS  15   2.628  -5.048  -8.970
   97    H    GLN  16           H        GLN  16   1.396  -4.041  -4.377
   98    HA   GLN  16           HA       GLN  16   3.345  -2.208  -4.944
   99   2HB   GLN  16          2HB       GLN  16   0.596  -2.313  -5.136
  100   2HG   GLN  16          2HG       GLN  16   1.320  -0.057  -3.206
  101   1HE2  GLN  16          1HE2      GLN  16  -0.481   1.205  -2.565
  102   2HE2  GLN  16          2HE2      GLN  16  -1.824   1.476  -3.626
  103    H    VAL  17           H        VAL  17   1.554  -2.821  -1.871
  104    HA   VAL  17           HA       VAL  17   2.449  -0.635  -0.445
  105    HB   VAL  17           HB       VAL  17   0.714  -2.468   0.083
  106   1HG1  VAL  17          1HG1      VAL  17   3.035  -4.042   0.258
  107   2HG1  VAL  17          2HG1      VAL  17   2.495  -3.808   1.938
  108   3HG1  VAL  17          3HG1      VAL  17   1.381  -4.497   0.734
  109   1HG2  VAL  17          1HG2      VAL  17   1.141  -0.542   1.526
  110   2HG2  VAL  17          2HG2      VAL  17   0.884  -2.009   2.501
  111   3HG2  VAL  17          3HG2      VAL  17   2.531  -1.378   2.260
  112    H    LYS  18           H        LYS  18   4.076  -3.683  -1.330
  113    HA   LYS  18           HA       LYS  18   6.193  -3.446   0.503
  114   2HB   LYS  18          2HB       LYS  18   5.429  -5.148  -1.744
  115   2HG   LYS  18          2HG       LYS  18   7.966  -5.931  -1.825
  116   2HD   LYS  18          2HD       LYS  18   8.245  -3.942  -3.670
  117   2HE   LYS  18          2HE       LYS  18   6.258  -6.251  -3.913
  118   1HZ   LYS  18          1HZ       LYS  18   6.403  -4.546  -5.712
  119   2HZ   LYS  18          2HZ       LYS  18   7.938  -5.033  -5.981
  120   3HZ   LYS  18          3HZ       LYS  18   6.701  -6.081  -6.181
  121    H    LYS  19           H        LYS  19   5.558  -2.105  -2.752
  122    HA   LYS  19           HA       LYS  19   8.194  -1.185  -3.165
  123   2HB   LYS  19          2HB       LYS  19   5.617  -1.095  -4.519
  124   2HG   LYS  19          2HG       LYS  19   6.404   0.974  -5.883
  125   2HD   LYS  19          2HD       LYS  19   5.562   2.466  -3.708
  126   2HE   LYS  19          2HE       LYS  19   3.178   1.707  -4.542
  127   1HZ   LYS  19          1HZ       LYS  19   3.439   3.086  -6.387
  128   2HZ   LYS  19          2HZ       LYS  19   4.521   3.651  -5.302
  129   3HZ   LYS  19          3HZ       LYS  19   5.026   2.746  -6.564
  130    H    LEU  20           H        LEU  20   5.623  -0.194  -1.069
  131    HA   LEU  20           HA       LEU  20   6.574   2.544  -0.948
  132   2HB   LEU  20          2HB       LEU  20   4.106   1.404  -0.696
  133    HG   LEU  20           HG       LEU  20   4.722   0.674   1.673
  134   1HD1  LEU  20          1HD1      LEU  20   5.455   3.454   1.836
  135   2HD1  LEU  20          2HD1      LEU  20   4.181   3.087   3.023
  136   3HD1  LEU  20          3HD1      LEU  20   5.692   2.145   3.019
  137   1HD2  LEU  20          1HD2      LEU  20   2.365   1.507   0.564
  138   2HD2  LEU  20          2HD2      LEU  20   2.538   0.738   2.160
  139   3HD2  LEU  20          3HD2      LEU  20   2.456   2.511   2.031
  140    H    PHE  21           H        PHE  21   7.230  -0.543   0.449
  141    HA   PHE  21           HA       PHE  21   7.943   0.357   3.037
  142   2HB   PHE  21          2HB       PHE  21   9.381  -2.002   2.005
  143    HD1  PHE  21           1HD      PHE  21   9.970  -2.608   4.194
  144    HD2  PHE  21           2HD      PHE  21   5.894  -1.878   3.267
  145    HE1  PHE  21           1HE      PHE  21   9.300  -3.506   6.440
  146    HE2  PHE  21           2HE      PHE  21   5.223  -2.775   5.514
  147    HZ   PHE  21           HZ       PHE  21   6.934  -3.579   7.073
  148    H    LYS  22           H        LYS  22   9.443   0.557  -0.104
  149    HA   LYS  22           HA       LYS  22  12.119   0.370   0.545
  150   2HB   LYS  22          2HB       LYS  22  10.744   0.760  -1.725
  151   2HG   LYS  22          2HG       LYS  22  11.717   3.068  -2.535
  152   2HD   LYS  22          2HD       LYS  22   9.232   2.528  -0.924
  153   2HE   LYS  22          2HE       LYS  22  10.453   5.091  -0.866
  154   1HZ   LYS  22          1HZ       LYS  22   8.717   4.768  -3.099
  155   2HZ   LYS  22          2HZ       LYS  22   8.252   5.977  -2.105
  156   3HZ   LYS  22          3HZ       LYS  22   9.751   5.983  -2.754
  157    H    LYS  23           H        LYS  23   9.732   2.690   1.542
  158    HA   LYS  23           HA       LYS  23  11.825   4.603   2.258
  159   2HB   LYS  23          2HB       LYS  23   9.942   5.508   1.003
  160   2HG   LYS  23          2HG       LYS  23   8.408   3.837   2.860
  161   2HD   LYS  23          2HD       LYS  23   7.862   6.816   2.757
  162   2HE   LYS  23          2HE       LYS  23   5.750   4.704   3.376
  163   1HZ   LYS  23          1HZ       LYS  23   5.508   7.575   2.818
  164   2HZ   LYS  23          2HZ       LYS  23   4.339   6.573   3.359
  165   3HZ   LYS  23          3HZ       LYS  23   5.596   6.960   4.328
  166    H    TRP  24           H        TRP  24   9.689   2.120   3.508
  167    HA   TRP  24           HA       TRP  24   9.832   3.076   6.217
  168   2HB   TRP  24          2HB       TRP  24   8.776   0.802   6.661
  169    HD1  TRP  24           HD       TRP  24   8.052   4.143   5.309
  170    HE1  TRP  24           1HE      TRP  24   5.492   4.778   5.338
  171    HE3  TRP  24           3HE      TRP  24   6.351  -0.578   6.133
  172    HZ2  TRP  24           2HZ      TRP  24   3.095   3.269   5.695
  173    HZ3  TRP  24           3HZ      TRP  24   3.887  -0.910   6.309
  174    HH2  TRP  24           HH       TRP  24   2.279   0.919   6.104
  175    H    GLY  25           H        GLY  25  11.802   2.997   7.227
  176   1HA   GLY  25          1HA       GLY  25  13.226   0.442   7.218
  177   2HA   GLY  25          2HA       GLY  25  14.089   1.846   6.619
  178    H    TRP  26           H        TRP  26  13.195   0.053   9.406
  179    HA   TRP  26           HA       TRP  26  13.654   2.323  11.189
  180   2HB   TRP  26          2HB       TRP  26  13.186   0.004  12.687
  181    HD1  TRP  26           HD       TRP  26  10.620   2.382  10.918
  182    HE1  TRP  26           1HE      TRP  26   9.319   3.821  12.708
  183    HE3  TRP  26           3HE      TRP  26  13.110   0.564  14.962
  184    HZ2  TRP  26           2HZ      TRP  26   9.474   4.032  15.549
  185    HZ3  TRP  26           3HZ      TRP  26  12.475   1.440  17.207
  186    HH2  TRP  26           HH       TRP  26  10.725   3.115  17.537
  Start of MODEL   10
    1   1H    LYS   1           H        LYS   1  -8.903  11.158  -0.971
    2    HA   LYS   1           HA       LYS   1  -7.913  12.990   0.259
    3   2HB   LYS   1          2HB       LYS   1 -10.726  13.025   1.224
    4   2HG   LYS   1          2HG       LYS   1  -8.819  14.934   0.723
    5   2HD   LYS   1          2HD       LYS   1 -10.642  14.918  -1.725
    6   2HE   LYS   1          2HE       LYS   1  -8.085  16.498  -1.420
    7   1HZ   LYS   1          1HZ       LYS   1  -8.921  17.033  -3.390
    8   2HZ   LYS   1          2HZ       LYS   1 -10.418  16.466  -3.064
    9   3HZ   LYS   1          3HZ       LYS   1  -9.988  17.964  -2.577
   10    H    SER   2           H        SER   2  -8.433  14.234   2.502
   11    HA   SER   2           HA       SER   2  -8.204  14.293   4.664
   12   2HB   SER   2          2HB       SER   2  -8.936  12.439   6.107
   13    HG   SER   2           HG       SER   2 -10.451  13.306   3.917
   14    H    SER   3           H        SER   3  -7.042  10.996   3.624
   15    HA   SER   3           HA       SER   3  -4.385  11.629   3.717
   16   2HB   SER   3          2HB       SER   3  -4.488  11.986   6.091
   17    HG   SER   3           HG       SER   3  -6.512  10.813   6.470
   18    H    ALA   4           H        ALA   4  -6.524   8.971   5.005
   19    HA   ALA   4           HA       ALA   4  -6.759   6.851   4.420
   20   1HB   ALA   4          1HB       ALA   4  -7.494   7.518   2.280
   21   2HB   ALA   4          2HB       ALA   4  -5.870   8.057   1.789
   22   3HB   ALA   4          3HB       ALA   4  -6.224   6.319   1.935
   23    H    TYR   5           H        TYR   5  -5.599   4.873   4.494
   24    HA   TYR   5           HA       TYR   5  -2.899   4.657   3.761
   25   2HB   TYR   5          2HB       TYR   5  -2.830   6.236   5.807
   26    HD1  TYR   5           1HD      TYR   5  -2.088   3.763   8.094
   27    HD2  TYR   5           2HD      TYR   5  -5.469   5.860   6.520
   28    HE1  TYR   5           1HE      TYR   5  -3.402   3.247  10.208
   29    HE2  TYR   5           2HE      TYR   5  -6.772   5.337   8.639
   30    HH   TYR   5           HH       TYR   5  -6.740   3.644  10.396
   31    H    SER   6           H        SER   6  -4.769   2.976   3.016
   32    HA   SER   6           HA       SER   6  -4.220   0.666   4.653
   33   2HB   SER   6          2HB       SER   6  -6.741   0.006   4.245
   34    HG   SER   6           HG       SER   6  -5.594   1.678   6.228
   35    H    LEU   7           H        LEU   7  -5.773   2.062   1.696
   36    HA   LEU   7           HA       LEU   7  -6.017   1.263  -0.361
   37   2HB   LEU   7          2HB       LEU   7  -3.616  -0.073  -0.853
   38    HG   LEU   7           HG       LEU   7  -4.826   2.261  -1.749
   39   1HD1  LEU   7          1HD1      LEU   7  -2.883   3.898  -1.680
   40   2HD1  LEU   7          2HD1      LEU   7  -3.826   3.712  -0.182
   41   3HD1  LEU   7          3HD1      LEU   7  -2.238   2.923  -0.339
   42   1HD2  LEU   7          1HD2      LEU   7  -3.739   0.738  -3.215
   43   2HD2  LEU   7          2HD2      LEU   7  -2.903   2.301  -3.373
   44   3HD2  LEU   7          3HD2      LEU   7  -2.165   0.989  -2.422
   45    H    GLN   8           H        GLN   8  -7.719  -0.204  -0.197
   46    HA   GLN   8           HA       GLN   8  -6.881  -2.938  -0.444
   47   2HB   GLN   8          2HB       GLN   8  -9.044  -3.262   1.271
   48   2HG   GLN   8          2HG       GLN   8  -6.048  -3.201   1.858
   49   1HE2  GLN   8          1HE2      GLN   8  -7.961  -5.807   2.855
   50   2HE2  GLN   8          2HE2      GLN   8  -8.069  -5.464   4.550
   51    H    MET   9           H        MET   9  -8.233  -4.096  -1.838
   52    HA   MET   9           HA       MET   9 -10.904  -3.355  -2.246
   53   2HB   MET   9          2HB       MET   9  -9.828  -1.473  -3.490
   54   2HG   MET   9          2HG       MET   9  -8.607  -3.576  -5.327
   55   1HE   MET   9          1HE       MET   9  -6.680  -1.532  -7.541
   56   2HE   MET   9          2HE       MET   9  -7.303  -3.091  -6.952
   57   3HE   MET   9          3HE       MET   9  -8.344  -2.030  -7.930
   58    H    GLY  10           H        GLY  10  -7.920  -4.909  -3.525
   59   1HA   GLY  10          1HA       GLY  10  -9.596  -7.142  -4.506
   60   2HA   GLY  10          2HA       GLY  10  -8.068  -6.651  -5.210
   61    H    ALA  11           H        ALA  11  -6.055  -7.045  -4.052
   62    HA   ALA  11           HA       ALA  11  -5.824  -8.103  -1.538
   63   1HB   ALA  11          1HB       ALA  11  -5.405 -10.551  -2.981
   64   2HB   ALA  11          2HB       ALA  11  -6.527 -10.232  -1.636
   65   3HB   ALA  11          3HB       ALA  11  -7.056  -9.975  -3.316
   66    H    THR  12           H        THR  12  -4.749  -8.746  -4.947
   67    HA   THR  12           HA       THR  12  -2.028  -9.036  -4.231
   68    HB   THR  12           HB       THR  12  -1.722  -9.153  -6.634
   69    HG1  THR  12           1HG      THR  12  -4.398  -7.960  -6.743
   70   1HG2  THR  12          1HG2      THR  12  -3.932 -10.530  -5.414
   71   2HG2  THR  12          2HG2      THR  12  -4.485  -9.965  -7.009
   72   3HG2  THR  12          3HG2      THR  12  -3.043 -11.001  -6.882
   73    H    ALA  13           H        ALA  13  -3.977  -6.253  -5.448
   74    HA   ALA  13           HA       ALA  13  -2.038  -4.444  -5.921
   75   1HB   ALA  13          1HB       ALA  13  -4.130  -3.590  -6.308
   76   2HB   ALA  13          2HB       ALA  13  -4.829  -4.350  -4.858
   77   3HB   ALA  13          3HB       ALA  13  -3.859  -2.864  -4.706
   78    H    ILE  14           H        ILE  14  -3.300  -5.490  -2.707
   79    HA   ILE  14           HA       ILE  14  -2.098  -3.671  -1.092
   80    HB   ILE  14           HB       ILE  14  -2.494  -6.636  -0.700
   81   2HG1  ILE  14          2HG1      ILE  14  -4.466  -5.030  -1.185
   82   1HG2  ILE  14          1HG2      ILE  14  -0.904  -4.976   0.871
   83   2HG2  ILE  14          2HG2      ILE  14  -2.463  -5.037   1.727
   84   3HG2  ILE  14          3HG2      ILE  14  -1.603  -6.545   1.335
   85   1HD1  ILE  14          1HD1      ILE  14  -4.847  -6.345   1.483
   86   2HD1  ILE  14          2HD1      ILE  14  -5.836  -6.462   0.007
   87   3HD1  ILE  14          3HD1      ILE  14  -4.320  -7.385   0.137
   88    H    LYS  15           H        LYS  15  -0.621  -6.726  -2.382
   89    HA   LYS  15           HA       LYS  15   1.815  -6.562  -1.209
   90   2HB   LYS  15          2HB       LYS  15   0.647  -7.859  -3.524
   91   2HG   LYS  15          2HG       LYS  15   3.063  -8.355  -4.438
   92   2HD   LYS  15          2HD       LYS  15   2.542  -5.655  -5.398
   93   2HE   LYS  15          2HE       LYS  15   3.408  -7.707  -6.677
   94   1HZ   LYS  15          1HZ       LYS  15   1.805  -9.286  -6.002
   95   2HZ   LYS  15          2HZ       LYS  15   0.553  -8.372  -6.517
   96   3HZ   LYS  15          3HZ       LYS  15   1.578  -9.037  -7.600
   97    H    GLN  16           H        GLN  16   0.632  -4.762  -4.099
   98    HA   GLN  16           HA       GLN  16   3.024  -3.642  -4.813
   99   2HB   GLN  16          2HB       GLN  16   1.640  -1.884  -5.913
  100   2HG   GLN  16          2HG       GLN  16   0.022  -3.488  -7.106
  101   1HE2  GLN  16          1HE2      GLN  16   0.860  -3.975  -8.998
  102   2HE2  GLN  16          2HE2      GLN  16   2.530  -4.267  -9.350
  103    H    VAL  17           H        VAL  17   0.593  -2.583  -2.368
  104    HA   VAL  17           HA       VAL  17   1.656  -0.108  -1.780
  105    HB   VAL  17           HB       VAL  17  -0.496  -1.329  -1.019
  106   1HG1  VAL  17          1HG1      VAL  17   0.608  -1.808   1.627
  107   2HG1  VAL  17          2HG1      VAL  17  -0.402  -2.860   0.607
  108   3HG1  VAL  17          3HG1      VAL  17   1.367  -2.859   0.406
  109   1HG2  VAL  17          1HG2      VAL  17   0.026   0.999  -0.485
  110   2HG2  VAL  17          2HG2      VAL  17  -0.715   0.185   0.913
  111   3HG2  VAL  17          3HG2      VAL  17   1.041   0.476   0.880
  112    H    LYS  18           H        LYS  18   2.724  -3.387  -0.870
  113    HA   LYS  18           HA       LYS  18   4.461  -2.588   1.188
  114   2HB   LYS  18          2HB       LYS  18   3.771  -5.020  -0.263
  115   2HG   LYS  18          2HG       LYS  18   6.068  -6.035   0.607
  116   2HD   LYS  18          2HD       LYS  18   7.066  -5.160  -1.764
  117   2HE   LYS  18          2HE       LYS  18   5.595  -6.951  -2.857
  118   1HZ   LYS  18          1HZ       LYS  18   7.558  -7.692  -1.890
  119   2HZ   LYS  18          2HZ       LYS  18   7.036  -7.463  -0.360
  120   3HZ   LYS  18          3HZ       LYS  18   6.419  -8.678  -1.261
  121    H    LYS  19           H        LYS  19   4.758  -2.804  -2.373
  122    HA   LYS  19           HA       LYS  19   7.558  -2.457  -2.413
  123   2HB   LYS  19          2HB       LYS  19   5.365  -2.708  -4.314
  124   2HG   LYS  19          2HG       LYS  19   6.820  -1.578  -6.147
  125   2HD   LYS  19          2HD       LYS  19   5.929   0.818  -5.075
  126   2HE   LYS  19          2HE       LYS  19   4.311  -1.387  -6.439
  127   1HZ   LYS  19          1HZ       LYS  19   2.650   0.000  -6.033
  128   2HZ   LYS  19          2HZ       LYS  19   3.615   1.223  -5.542
  129   3HZ   LYS  19          3HZ       LYS  19   3.324   1.002  -7.133
  130    H    LEU  20           H        LEU  20   4.907  -0.356  -1.677
  131    HA   LEU  20           HA       LEU  20   6.384   2.022  -2.444
  132   2HB   LEU  20          2HB       LEU  20   3.726   1.393  -2.420
  133    HG   LEU  20           HG       LEU  20   3.710   1.758   0.112
  134   1HD1  LEU  20          1HD1      LEU  20   3.441   4.585   0.068
  135   2HD1  LEU  20          2HD1      LEU  20   4.620   3.591   0.959
  136   3HD1  LEU  20          3HD1      LEU  20   5.006   4.179  -0.677
  137   1HD2  LEU  20          1HD2      LEU  20   1.533   2.246  -0.078
  138   2HD2  LEU  20          2HD2      LEU  20   1.847   3.771  -0.942
  139   3HD2  LEU  20          3HD2      LEU  20   1.839   2.229  -1.832
  140    H    PHE  21           H        PHE  21   6.060  -0.150   0.222
  141    HA   PHE  21           HA       PHE  21   6.435   1.733   2.299
  142   2HB   PHE  21          2HB       PHE  21   7.515  -0.975   2.751
  143    HD1  PHE  21           1HD      PHE  21   3.963   0.106   2.866
  144    HD2  PHE  21           2HD      PHE  21   7.516  -0.629   5.066
  145    HE1  PHE  21           1HE      PHE  21   2.692   0.389   5.011
  146    HE2  PHE  21           2HE      PHE  21   6.245  -0.346   7.213
  147    HZ   PHE  21           HZ       PHE  21   3.848   0.159   7.159
  148    H    LYS  22           H        LYS  22   8.524   0.393  -0.134
  149    HA   LYS  22           HA       LYS  22  10.919   0.091   1.095
  150   2HB   LYS  22          2HB       LYS  22  10.142  -0.052  -1.421
  151   2HG   LYS  22          2HG       LYS  22  11.549   1.870  -2.582
  152   2HD   LYS  22          2HD       LYS  22   8.729   2.082  -1.473
  153   2HE   LYS  22          2HE       LYS  22   9.858   4.399  -1.820
  154   1HZ   LYS  22          1HZ       LYS  22  10.650   3.303  -4.120
  155   2HZ   LYS  22          2HZ       LYS  22   9.340   4.142  -4.614
  156   3HZ   LYS  22          3HZ       LYS  22  10.560   4.911  -3.848
  157    H    LYS  23           H        LYS  23   9.032   3.037   0.701
  158    HA   LYS  23           HA       LYS  23  11.329   4.643   1.519
  159   2HB   LYS  23          2HB       LYS  23  10.261   5.625  -0.321
  160   2HG   LYS  23          2HG       LYS  23   7.805   4.523   0.946
  161   2HD   LYS  23          2HD       LYS  23   7.958   7.360   0.405
  162   2HE   LYS  23          2HE       LYS  23   5.865   7.369  -1.118
  163   1HZ   LYS  23          1HZ       LYS  23   8.577   7.192  -1.755
  164   2HZ   LYS  23          2HZ       LYS  23   7.713   6.491  -2.950
  165   3HZ   LYS  23          3HZ       LYS  23   7.405   8.035  -2.519
  166    H    TRP  24           H        TRP  24   8.177   3.372   2.591
  167    HA   TRP  24           HA       TRP  24   8.046   5.005   4.914
  168   2HB   TRP  24          2HB       TRP  24   6.277   3.384   5.590
  169    HD1  TRP  24           HD       TRP  24   6.993   5.726   2.778
  170    HE1  TRP  24           1HE      TRP  24   4.813   6.760   1.710
  171    HE3  TRP  24           3HE      TRP  24   3.744   2.513   5.007
  172    HZ2  TRP  24           2HZ      TRP  24   2.037   6.133   1.914
  173    HZ3  TRP  24           3HZ      TRP  24   1.315   2.792   4.519
  174    HH2  TRP  24           HH       TRP  24   0.447   4.526   3.032
  175    H    GLY  25           H        GLY  25   8.347   4.220   7.150
  176   1HA   GLY  25          1HA       GLY  25  10.130   1.880   7.364
  177   2HA   GLY  25          2HA       GLY  25  10.602   3.424   8.044
  178    H    TRP  26           H        TRP  26  10.490   3.076  10.251
  179    HA   TRP  26           HA       TRP  26   8.063   1.811  11.281
  180   2HB   TRP  26          2HB       TRP  26   9.629   2.126  13.446
  181    HD1  TRP  26           HD       TRP  26   7.685  -0.096  11.893
  182    HE1  TRP  26           1HE      TRP  26   8.272  -2.666  12.018
  183    HE3  TRP  26           3HE      TRP  26  12.584   0.545  13.097
  184    HZ2  TRP  26           2HZ      TRP  26  10.665  -4.109  12.594
  185    HZ3  TRP  26           3HZ      TRP  26  13.976  -1.497  13.423
  186    HH2  TRP  26           HH       TRP  26  13.090  -3.764  13.191
  Start of MODEL   11
    1   1H    LYS   1           H        LYS   1  -9.800  13.439   2.758
    2    HA   LYS   1           HA       LYS   1  -7.465  13.991   1.915
    3   2HB   LYS   1          2HB       LYS   1  -7.853  16.426   2.035
    4   2HG   LYS   1          2HG       LYS   1  -7.301  16.515   4.955
    5   2HD   LYS   1          2HD       LYS   1  -9.555  18.072   4.268
    6   2HE   LYS   1          2HE       LYS   1  -6.903  19.359   3.882
    7   1HZ   LYS   1          1HZ       LYS   1  -8.415  20.839   4.560
    8   2HZ   LYS   1          2HZ       LYS   1  -9.350  19.751   5.339
    9   3HZ   LYS   1          3HZ       LYS   1  -8.007  20.336   6.059
   10    H    SER   2           H        SER   2  -8.323  11.862   3.099
   11    HA   SER   2           HA       SER   2  -7.456  11.962   5.865
   12   2HB   SER   2          2HB       SER   2  -8.630   9.494   4.591
   13    HG   SER   2           HG       SER   2  -8.034  10.232   7.069
   14    H    SER   3           H        SER   3  -6.137   9.975   6.629
   15    HA   SER   3           HA       SER   3  -4.220   9.345   4.525
   16   2HB   SER   3          2HB       SER   3  -3.582   9.112   7.471
   17    HG   SER   3           HG       SER   3  -2.139   9.596   5.029
   18    H    ALA   4           H        ALA   4  -5.694   7.534   3.893
   19    HA   ALA   4           HA       ALA   4  -4.870   5.107   4.973
   20   1HB   ALA   4          1HB       ALA   4  -7.590   4.847   5.670
   21   2HB   ALA   4          2HB       ALA   4  -6.195   4.872   6.774
   22   3HB   ALA   4          3HB       ALA   4  -7.060   6.381   6.401
   23    H    TYR   5           H        TYR   5  -7.983   6.540   3.743
   24    HA   TYR   5           HA       TYR   5  -9.290   5.829   2.059
   25   2HB   TYR   5          2HB       TYR   5  -7.349   5.634  -0.011
   26    HD1  TYR   5           1HD      TYR   5  -8.520   8.351   2.308
   27    HD2  TYR   5           2HD      TYR   5  -8.147   6.974  -1.724
   28    HE1  TYR   5           1HE      TYR   5  -9.759  10.413   1.482
   29    HE2  TYR   5           2HE      TYR   5  -9.387   9.039  -2.537
   30    HH   TYR   5           HH       TYR   5  -9.777  11.730  -0.738
   31    H    SER   6           H        SER   6  -9.739   3.660   2.922
   32    HA   SER   6           HA       SER   6  -9.865   1.497   2.793
   33   2HB   SER   6          2HB       SER   6  -9.647   0.426   0.562
   34    HG   SER   6           HG       SER   6 -10.667   3.067   0.063
   35    H    LEU   7           H        LEU   7  -8.566  -0.653   2.412
   36    HA   LEU   7           HA       LEU   7  -5.693  -0.190   2.432
   37   2HB   LEU   7          2HB       LEU   7  -5.980  -0.044   4.710
   38    HG   LEU   7           HG       LEU   7  -8.423  -1.464   4.376
   39   1HD1  LEU   7          1HD1      LEU   7  -6.453  -2.861   6.194
   40   2HD1  LEU   7          2HD1      LEU   7  -8.218  -3.014   6.365
   41   3HD1  LEU   7          3HD1      LEU   7  -7.420  -3.550   4.868
   42   1HD2  LEU   7          1HD2      LEU   7  -7.042  -0.043   6.644
   43   2HD2  LEU   7          2HD2      LEU   7  -8.436   0.476   5.667
   44   3HD2  LEU   7          3HD2      LEU   7  -8.625  -0.826   6.866
   45    H    GLN   8           H        GLN   8  -8.409  -2.576   2.675
   46    HA   GLN   8           HA       GLN   8  -6.882  -4.194   0.790
   47   2HB   GLN   8          2HB       GLN   8  -8.770  -5.615   2.615
   48   2HG   GLN   8          2HG       GLN   8  -6.140  -6.704   2.629
   49   1HE2  GLN   8          1HE2      GLN   8  -6.485  -8.787   2.706
   50   2HE2  GLN   8          2HE2      GLN   8  -7.836  -9.651   2.052
   51    H    MET   9           H        MET   9  -8.036  -5.029  -0.974
   52    HA   MET   9           HA       MET   9 -10.850  -5.131  -0.941
   53   2HB   MET   9          2HB       MET   9 -10.740  -2.720  -1.277
   54   2HG   MET   9          2HG       MET   9  -8.978  -2.953  -3.708
   55   1HE   MET   9          1HE       MET   9  -6.877  -0.348  -2.563
   56   2HE   MET   9          2HE       MET   9  -7.668   0.281  -1.098
   57   3HE   MET   9          3HE       MET   9  -7.251  -1.445  -1.213
   58    H    GLY  10           H        GLY  10  -7.845  -4.865  -2.932
   59   1HA   GLY  10          1HA       GLY  10  -8.968  -6.822  -4.824
   60   2HA   GLY  10          2HA       GLY  10  -7.615  -5.747  -5.111
   61    H    ALA  11           H        ALA  11  -5.506  -6.292  -4.383
   62    HA   ALA  11           HA       ALA  11  -4.730  -8.056  -2.527
   63   1HB   ALA  11          1HB       ALA  11  -5.990  -9.462  -4.799
   64   2HB   ALA  11          2HB       ALA  11  -4.363 -10.058  -4.390
   65   3HB   ALA  11          3HB       ALA  11  -5.640 -10.036  -3.151
   66    H    THR  12           H        THR  12  -4.402  -7.222  -6.016
   67    HA   THR  12           HA       THR  12  -1.565  -7.559  -6.003
   68    HB   THR  12           HB       THR  12  -3.199  -5.937  -7.996
   69    HG1  THR  12           1HG      THR  12  -4.353  -7.804  -8.266
   70   1HG2  THR  12          1HG2      THR  12  -1.675  -6.847  -9.608
   71   2HG2  THR  12          2HG2      THR  12  -0.635  -6.436  -8.223
   72   3HG2  THR  12          3HG2      THR  12  -1.133  -8.124  -8.492
   73    H    ALA  13           H        ALA  13  -3.790  -4.713  -5.850
   74    HA   ALA  13           HA       ALA  13  -2.009  -2.695  -5.938
   75   1HB   ALA  13          1HB       ALA  13  -4.624  -3.202  -4.643
   76   2HB   ALA  13          2HB       ALA  13  -3.691  -1.865  -3.931
   77   3HB   ALA  13          3HB       ALA  13  -4.097  -1.843  -5.664
   78    H    ILE  14           H        ILE  14  -2.700  -4.866  -3.142
   79    HA   ILE  14           HA       ILE  14  -1.373  -3.646  -1.149
   80    HB   ILE  14           HB       ILE  14  -1.661  -6.520  -1.931
   81   2HG1  ILE  14          2HG1      ILE  14  -3.014  -4.576  -0.171
   82   1HG2  ILE  14          1HG2      ILE  14  -0.678  -7.205   0.210
   83   2HG2  ILE  14          2HG2      ILE  14   0.518  -6.418  -0.848
   84   3HG2  ILE  14          3HG2      ILE  14  -0.184  -5.523   0.521
   85   1HD1  ILE  14          1HD1      ILE  14  -4.821  -5.467  -1.215
   86   2HD1  ILE  14          2HD1      ILE  14  -3.671  -6.343  -2.253
   87   3HD1  ILE  14          3HD1      ILE  14  -4.329  -7.125  -0.795
   88    H    LYS  15           H        LYS  15   0.155  -5.782  -3.658
   89    HA   LYS  15           HA       LYS  15   2.728  -5.655  -2.832
   90   2HB   LYS  15          2HB       LYS  15   1.374  -5.944  -5.466
   91   2HG   LYS  15          2HG       LYS  15   3.916  -6.329  -6.267
   92   2HD   LYS  15          2HD       LYS  15   2.954  -3.458  -6.227
   93   2HE   LYS  15          2HE       LYS  15   4.308  -5.340  -8.188
   94   1HZ   LYS  15          1HZ       LYS  15   2.959  -2.803  -8.808
   95   2HZ   LYS  15          2HZ       LYS  15   3.952  -3.608  -9.823
   96   3HZ   LYS  15          3HZ       LYS  15   2.532  -4.275  -9.371
   97    H    GLN  16           H        GLN  16   0.877  -3.154  -4.647
   98    HA   GLN  16           HA       GLN  16   2.977  -1.493  -5.202
   99   2HB   GLN  16          2HB       GLN  16   0.269  -1.444  -5.623
  100   2HG   GLN  16          2HG       GLN  16   0.922   0.868  -3.733
  101   1HE2  GLN  16          1HE2      GLN  16   0.311   2.337  -5.359
  102   2HE2  GLN  16          2HE2      GLN  16  -1.342   2.561  -5.823
  103    H    VAL  17           H        VAL  17   0.946  -1.756  -2.231
  104    HA   VAL  17           HA       VAL  17   1.878   0.472  -0.903
  105    HB   VAL  17           HB       VAL  17   0.009  -1.228  -0.371
  106   1HG1  VAL  17          1HG1      VAL  17   0.517  -3.226   0.491
  107   2HG1  VAL  17          2HG1      VAL  17   2.219  -2.897   0.085
  108   3HG1  VAL  17          3HG1      VAL  17   1.596  -2.497   1.704
  109   1HG2  VAL  17          1HG2      VAL  17   0.482   0.798   0.944
  110   2HG2  VAL  17          2HG2      VAL  17   0.006  -0.563   1.989
  111   3HG2  VAL  17          3HG2      VAL  17   1.718  -0.090   1.869
  112    H    LYS  18           H        LYS  18   3.373  -2.720  -1.447
  113    HA   LYS  18           HA       LYS  18   5.379  -2.457   0.503
  114   2HB   LYS  18          2HB       LYS  18   4.659  -4.285  -1.657
  115   2HG   LYS  18          2HG       LYS  18   7.149  -5.206  -1.510
  116   2HD   LYS  18          2HD       LYS  18   7.655  -3.391  -3.479
  117   2HE   LYS  18          2HE       LYS  18   5.555  -5.604  -3.675
  118   1HZ   LYS  18          1HZ       LYS  18   7.421  -4.608  -5.707
  119   2HZ   LYS  18          2HZ       LYS  18   6.185  -5.655  -5.918
  120   3HZ   LYS  18          3HZ       LYS  18   5.878  -4.085  -5.591
  121    H    LYS  19           H        LYS  19   5.044  -1.354  -2.886
  122    HA   LYS  19           HA       LYS  19   7.748  -0.613  -3.185
  123   2HB   LYS  19          2HB       LYS  19   5.269  -0.476  -4.708
  124   2HG   LYS  19          2HG       LYS  19   6.266   1.437  -6.161
  125   2HD   LYS  19          2HD       LYS  19   5.384   3.132  -4.160
  126   2HE   LYS  19          2HE       LYS  19   3.016   2.461  -5.096
  127   1HZ   LYS  19          1HZ       LYS  19   3.800   3.335  -7.334
  128   2HZ   LYS  19          2HZ       LYS  19   3.999   4.299  -6.031
  129   3HZ   LYS  19          3HZ       LYS  19   5.272   3.480  -6.642
  130    H    LEU  20           H        LEU  20   5.117   0.684  -1.344
  131    HA   LEU  20           HA       LEU  20   6.240   3.360  -1.350
  132   2HB   LEU  20          2HB       LEU  20   3.685   2.392  -1.194
  133    HG   LEU  20           HG       LEU  20   4.060   1.829   1.254
  134   1HD1  LEU  20          1HD1      LEU  20   5.084   3.302   2.555
  135   2HD1  LEU  20          2HD1      LEU  20   5.067   4.523   1.261
  136   3HD1  LEU  20          3HD1      LEU  20   3.686   4.389   2.376
  137   1HD2  LEU  20          1HD2      LEU  20   1.872   2.849  -0.077
  138   2HD2  LEU  20          2HD2      LEU  20   1.865   2.110   1.542
  139   3HD2  LEU  20          3HD2      LEU  20   1.974   3.878   1.372
  140    H    PHE  21           H        PHE  21   6.537   0.348   0.332
  141    HA   PHE  21           HA       PHE  21   7.118   1.368   2.893
  142   2HB   PHE  21          2HB       PHE  21   8.527  -1.103   2.090
  143    HD1  PHE  21           1HD      PHE  21   8.954  -1.654   4.323
  144    HD2  PHE  21           2HD      PHE  21   4.986  -0.716   3.146
  145    HE1  PHE  21           1HE      PHE  21   8.113  -2.395   6.569
  146    HE2  PHE  21           2HE      PHE  21   4.145  -1.458   5.391
  147    HZ   PHE  21           HZ       PHE  21   5.718  -2.288   7.076
  148    H    LYS  22           H        LYS  22   8.855   1.412  -0.110
  149    HA   LYS  22           HA       LYS  22  11.450   1.054   0.559
  150   2HB   LYS  22          2HB       LYS  22  10.301   1.737  -1.673
  151   2HG   LYS  22          2HG       LYS  22  10.975   4.198  -2.163
  152   2HD   LYS  22          2HD       LYS  22   8.603   3.268  -0.547
  153   2HE   LYS  22          2HE       LYS  22   9.568   6.062  -0.722
  154   1HZ   LYS  22          1HZ       LYS  22   6.757   5.519  -1.353
  155   2HZ   LYS  22          2HZ       LYS  22   7.507   6.969  -1.308
  156   3HZ   LYS  22          3HZ       LYS  22   7.856   5.905  -2.497
  157    H    LYS  23           H        LYS  23   9.373   3.907   1.266
  158    HA   LYS  23           HA       LYS  23  11.576   5.289   2.496
  159   2HB   LYS  23          2HB       LYS  23   9.798   6.454   1.206
  160   2HG   LYS  23          2HG       LYS  23   8.021   6.021   3.632
  161   2HD   LYS  23          2HD       LYS  23   6.776   6.419   1.010
  162   2HE   LYS  23          2HE       LYS  23   6.783   7.868   3.690
  163   1HZ   LYS  23          1HZ       LYS  23   5.748   9.547   2.744
  164   2HZ   LYS  23          2HZ       LYS  23   6.129   8.960   1.269
  165   3HZ   LYS  23          3HZ       LYS  23   4.699   8.576   1.956
  166    H    TRP  24           H        TRP  24   8.545   3.604   3.523
  167    HA   TRP  24           HA       TRP  24   8.784   4.091   6.236
  168   2HB   TRP  24          2HB       TRP  24   7.402   2.019   6.476
  169    HD1  TRP  24           HD       TRP  24   7.200   5.405   5.328
  170    HE1  TRP  24           1HE      TRP  24   4.765   6.286   4.817
  171    HE3  TRP  24           3HE      TRP  24   5.020   0.816   5.103
  172    HZ2  TRP  24           2HZ      TRP  24   2.258   4.994   4.386
  173    HZ3  TRP  24           3HZ      TRP  24   2.575   0.714   4.632
  174    HH2  TRP  24           HH       TRP  24   1.202   2.706   4.280
  175    H    GLY  25           H        GLY  25   9.692   2.795   7.969
  176   1HA   GLY  25          1HA       GLY  25  12.072   1.303   7.102
  177   2HA   GLY  25          2HA       GLY  25  11.801   2.037   8.670
  178    H    TRP  26           H        TRP  26  10.705   0.900  10.311
  179    HA   TRP  26           HA       TRP  26   9.625  -1.717   9.554
  180   2HB   TRP  26          2HB       TRP  26  10.752  -2.317  11.924
  181    HD1  TRP  26           HD       TRP  26  12.613  -1.802   8.507
  182    HE1  TRP  26           1HE      TRP  26  13.442  -4.120   7.559
  183    HE3  TRP  26           3HE      TRP  26  10.734  -4.620  12.299
  184    HZ2  TRP  26           2HZ      TRP  26  13.225  -6.812   8.480
  185    HZ3  TRP  26           3HZ      TRP  26  11.086  -7.085  12.199
  186    HH2  TRP  26           HH       TRP  26  12.283  -8.186  10.374
  Start of MODEL   12
    1   1H    LYS   1           H        LYS   1  -1.326   8.251   5.350
    2    HA   LYS   1           HA       LYS   1  -1.875   5.505   5.958
    3   2HB   LYS   1          2HB       LYS   1  -1.514   6.751   8.520
    4   2HG   LYS   1          2HG       LYS   1   0.369   4.763   8.345
    5   2HD   LYS   1          2HD       LYS   1  -2.355   5.029   9.255
    6   2HE   LYS   1          2HE       LYS   1  -2.968   2.570   9.106
    7   1HZ   LYS   1          1HZ       LYS   1  -2.943   3.183   6.374
    8   2HZ   LYS   1          2HZ       LYS   1  -4.204   3.190   7.412
    9   3HZ   LYS   1          3HZ       LYS   1  -3.293   4.532   7.224
   10    H    SER   2           H        SER   2  -2.320   8.819   7.396
   11    HA   SER   2           HA       SER   2  -4.780   8.589   8.320
   12   2HB   SER   2          2HB       SER   2  -3.961  10.982   6.624
   13    HG   SER   2           HG       SER   2  -6.063  10.558   8.189
   14    H    SER   3           H        SER   3  -4.032   9.554   4.886
   15    HA   SER   3           HA       SER   3  -6.709   9.457   4.107
   16   2HB   SER   3          2HB       SER   3  -5.235  10.770   2.776
   17    HG   SER   3           HG       SER   3  -3.666   8.500   1.998
   18    H    ALA   4           H        ALA   4  -7.957   7.627   4.011
   19    HA   ALA   4           HA       ALA   4  -6.604   5.145   3.203
   20   1HB   ALA   4          1HB       ALA   4  -8.374   4.004   4.554
   21   2HB   ALA   4          2HB       ALA   4  -7.320   5.055   5.530
   22   3HB   ALA   4          3HB       ALA   4  -8.954   5.602   5.083
   23    H    TYR   5           H        TYR   5  -7.078   4.703   1.107
   24    HA   TYR   5           HA       TYR   5  -9.881   4.987   0.305
   25   2HB   TYR   5          2HB       TYR   5  -9.022   5.983  -1.833
   26    HD1  TYR   5           1HD      TYR   5  -6.451   7.892  -1.195
   27    HD2  TYR   5           2HD      TYR   5 -10.263   7.153   0.601
   28    HE1  TYR   5           1HE      TYR   5  -6.436  10.226  -0.185
   29    HE2  TYR   5           2HE      TYR   5 -10.234   9.489   1.605
   30    HH   TYR   5           HH       TYR   5  -7.864  11.175   2.173
   31    H    SER   6           H        SER   6  -8.870   2.576   1.166
   32    HA   SER   6           HA       SER   6  -7.549   1.138  -0.810
   33   2HB   SER   6          2HB       SER   6  -7.484   0.198   1.350
   34    HG   SER   6           HG       SER   6  -9.125   0.246   2.752
   35    H    LEU   7           H        LEU   7  -8.370  -0.440  -2.348
   36    HA   LEU   7           HA       LEU   7 -11.110   0.175  -3.171
   37   2HB   LEU   7          2HB       LEU   7  -8.593  -0.521  -4.568
   38    HG   LEU   7           HG       LEU   7  -9.879  -2.376  -5.398
   39   1HD1  LEU   7          1HD1      LEU   7 -12.097  -2.430  -5.651
   40   2HD1  LEU   7          2HD1      LEU   7 -12.110  -0.889  -4.759
   41   3HD1  LEU   7          3HD1      LEU   7 -12.126  -0.887  -6.539
   42   1HD2  LEU   7          1HD2      LEU   7 -10.400  -1.345  -7.814
   43   2HD2  LEU   7          2HD2      LEU   7  -9.440  -0.008  -7.138
   44   3HD2  LEU   7          3HD2      LEU   7  -8.750  -1.646  -7.221
   45    H    GLN   8           H        GLN   8  -8.803  -2.569  -2.646
   46    HA   GLN   8           HA       GLN   8 -11.176  -4.199  -2.174
   47   2HB   GLN   8          2HB       GLN   8  -8.573  -5.050  -3.519
   48   2HG   GLN   8          2HG       GLN   8 -10.404  -6.614  -2.012
   49   1HE2  GLN   8          1HE2      GLN   8 -12.490  -6.079  -2.942
   50   2HE2  GLN   8          2HE2      GLN   8 -13.094  -6.974  -4.295
   51    H    MET   9           H        MET   9  -8.160  -5.845  -1.870
   52    HA   MET   9           HA       MET   9  -7.266  -4.986   0.571
   53   2HB   MET   9          2HB       MET   9  -9.520  -5.709   1.406
   54   2HG   MET   9          2HG       MET   9  -8.657  -8.432   0.317
   55   1HE   MET   9          1HE       MET   9 -12.750  -8.946   1.356
   56   2HE   MET   9          2HE       MET   9 -11.836  -8.462  -0.093
   57   3HE   MET   9          3HE       MET   9 -11.628 -10.094   0.587
   58    H    GLY  10           H        GLY  10  -7.914  -7.690  -1.667
   59   1HA   GLY  10          1HA       GLY  10  -5.285  -8.844  -0.949
   60   2HA   GLY  10          2HA       GLY  10  -6.657  -9.766  -1.534
   61    H    ALA  11           H        ALA  11  -5.432  -6.559  -2.686
   62    HA   ALA  11           HA       ALA  11  -4.103  -7.602  -4.936
   63   1HB   ALA  11          1HB       ALA  11  -5.692  -7.703  -6.539
   64   2HB   ALA  11          2HB       ALA  11  -6.864  -7.735  -5.201
   65   3HB   ALA  11          3HB       ALA  11  -6.458  -6.193  -5.992
   66    H    THR  12           H        THR  12  -6.204  -4.852  -3.825
   67    HA   THR  12           HA       THR  12  -4.434  -2.926  -5.003
   68    HB   THR  12           HB       THR  12  -6.071  -1.342  -4.066
   69    HG1  THR  12           1HG      THR  12  -7.004  -1.996  -2.169
   70   1HG2  THR  12          1HG2      THR  12  -6.855  -3.576  -5.692
   71   2HG2  THR  12          2HG2      THR  12  -8.134  -3.350  -4.474
   72   3HG2  THR  12          3HG2      THR  12  -7.680  -2.005  -5.547
   73    H    ALA  13           H        ALA  13  -5.130  -4.115  -1.667
   74    HA   ALA  13           HA       ALA  13  -3.558  -2.345  -0.285
   75   1HB   ALA  13          1HB       ALA  13  -4.671  -5.054   0.092
   76   2HB   ALA  13          2HB       ALA  13  -3.212  -4.732   1.059
   77   3HB   ALA  13          3HB       ALA  13  -4.632  -3.669   1.208
   78    H    ILE  14           H        ILE  14  -2.640  -5.198  -2.243
   79    HA   ILE  14           HA       ILE  14  -0.102  -5.644  -1.413
   80    HB   ILE  14           HB       ILE  14  -1.471  -5.785  -4.063
   81   2HG1  ILE  14          2HG1      ILE  14  -0.677  -7.616  -1.876
   82   1HG2  ILE  14          1HG2      ILE  14   0.773  -5.092  -4.670
   83   2HG2  ILE  14          2HG2      ILE  14   1.475  -6.348  -3.621
   84   3HG2  ILE  14          3HG2      ILE  14   0.536  -6.813  -5.059
   85   1HD1  ILE  14          1HD1      ILE  14  -2.860  -8.204  -2.084
   86   2HD1  ILE  14          2HD1      ILE  14  -3.023  -6.843  -3.220
   87   3HD1  ILE  14          3HD1      ILE  14  -2.684  -8.478  -3.833
   88    H    LYS  15           H        LYS  15  -1.247  -3.047  -3.652
   89    HA   LYS  15           HA       LYS  15   1.277  -2.018  -4.215
   90   2HB   LYS  15          2HB       LYS  15  -1.120  -1.584  -5.232
   91   2HG   LYS  15          2HG       LYS  15  -1.833  -0.407  -3.037
   92   2HD   LYS  15          2HD       LYS  15   0.429   1.290  -3.914
   93   2HE   LYS  15          2HE       LYS  15  -1.647   2.622  -4.663
   94   1HZ   LYS  15          1HZ       LYS  15  -2.119   3.378  -1.957
   95   2HZ   LYS  15          2HZ       LYS  15  -3.187   3.111  -3.164
   96   3HZ   LYS  15          3HZ       LYS  15  -2.611   1.856  -2.290
   97    H    GLN  16           H        GLN  16  -1.030  -1.418  -1.523
   98    HA   GLN  16           HA       GLN  16   0.210   0.772  -0.455
   99   2HB   GLN  16          2HB       GLN  16  -0.904   0.127   1.668
  100   2HG   GLN  16          2HG       GLN  16  -2.627  -0.639  -0.734
  101   1HE2  GLN  16          1HE2      GLN  16  -4.785  -0.514  -0.390
  102   2HE2  GLN  16          2HE2      GLN  16  -5.528  -0.322   1.163
  103    H    VAL  17           H        VAL  17   1.208  -2.606  -0.510
  104    HA   VAL  17           HA       VAL  17   2.800  -2.771   1.716
  105    HB   VAL  17           HB       VAL  17   3.286  -3.892  -1.052
  106   1HG1  VAL  17          1HG1      VAL  17   4.613  -5.600   0.004
  107   2HG1  VAL  17          2HG1      VAL  17   5.242  -4.014   0.512
  108   3HG1  VAL  17          3HG1      VAL  17   4.231  -4.968   1.623
  109   1HG2  VAL  17          1HG2      VAL  17   1.044  -4.273   0.433
  110   2HG2  VAL  17          2HG2      VAL  17   1.724  -5.488  -0.676
  111   3HG2  VAL  17          3HG2      VAL  17   2.077  -5.576   1.067
  112    H    LYS  18           H        LYS  18   3.499  -1.296  -1.501
  113    HA   LYS  18           HA       LYS  18   6.191  -0.727  -0.918
  114   2HB   LYS  18          2HB       LYS  18   4.285  -0.270  -3.068
  115   2HG   LYS  18          2HG       LYS  18   5.851   1.688  -3.914
  116   2HD   LYS  18          2HD       LYS  18   4.280   3.298  -2.386
  117   2HE   LYS  18          2HE       LYS  18   2.410   2.785  -4.061
  118   1HZ   LYS  18          1HZ       LYS  18   5.097   3.553  -4.639
  119   2HZ   LYS  18          2HZ       LYS  18   4.273   3.038  -5.952
  120   3HZ   LYS  18          3HZ       LYS  18   3.694   4.276  -5.058
  121    H    LYS  19           H        LYS  19   3.099   0.897  -0.229
  122    HA   LYS  19           HA       LYS  19   4.208   3.399   0.416
  123   2HB   LYS  19          2HB       LYS  19   1.604   2.051   0.578
  124   2HG   LYS  19          2HG       LYS  19   0.805   3.953   2.168
  125   2HD   LYS  19          2HD       LYS  19   1.966   2.458   4.185
  126   2HE   LYS  19          2HE       LYS  19  -0.041   0.829   3.677
  127   1HZ   LYS  19          1HZ       LYS  19  -0.405   2.426   5.266
  128   2HZ   LYS  19          2HZ       LYS  19  -0.213   3.687   4.245
  129   3HZ   LYS  19          3HZ       LYS  19  -1.570   2.779   4.178
  130    H    LEU  20           H        LEU  20   4.341   0.303   1.950
  131    HA   LEU  20           HA       LEU  20   4.859   1.526   4.551
  132   2HB   LEU  20          2HB       LEU  20   3.402  -0.659   3.877
  133    HG   LEU  20           HG       LEU  20   5.602  -1.911   3.389
  134   1HD1  LEU  20          1HD1      LEU  20   7.186  -1.699   4.944
  135   2HD1  LEU  20          2HD1      LEU  20   6.036  -1.102   6.164
  136   3HD1  LEU  20          3HD1      LEU  20   6.232  -2.852   5.907
  137   1HD2  LEU  20          1HD2      LEU  20   4.543  -3.721   5.256
  138   2HD2  LEU  20          2HD2      LEU  20   3.176  -2.700   4.745
  139   3HD2  LEU  20          3HD2      LEU  20   4.139  -3.574   3.529
  140    H    PHE  21           H        PHE  21   6.435   0.435   1.689
  141    HA   PHE  21           HA       PHE  21   8.831  -0.435   2.991
  142   2HB   PHE  21          2HB       PHE  21   9.310   0.254   0.269
  143    HD1  PHE  21           1HD      PHE  21  11.012  -1.416   0.600
  144    HD2  PHE  21           2HD      PHE  21   6.907  -2.450   0.897
  145    HE1  PHE  21           1HE      PHE  21  11.618  -3.850   0.506
  146    HE2  PHE  21           2HE      PHE  21   7.513  -4.884   0.804
  147    HZ   PHE  21           HZ       PHE  21   9.862  -5.555   0.609
  148    H    LYS  22           H        LYS  22   7.426   2.613   1.987
  149    HA   LYS  22           HA       LYS  22   9.716   4.054   1.393
  150   2HB   LYS  22          2HB       LYS  22   7.748   5.119   0.832
  151   2HG   LYS  22          2HG       LYS  22   6.147   3.794   2.098
  152   2HD   LYS  22          2HD       LYS  22   7.712   4.849   4.418
  153   2HE   LYS  22          2HE       LYS  22   4.979   5.503   4.307
  154   1HZ   LYS  22          1HZ       LYS  22   4.253   3.994   6.172
  155   2HZ   LYS  22          2HZ       LYS  22   4.235   3.359   4.668
  156   3HZ   LYS  22          3HZ       LYS  22   5.438   2.974   5.702
  157    H    LYS  23           H        LYS  23   8.727   2.558   4.340
  158    HA   LYS  23           HA       LYS  23  10.493   4.333   5.867
  159   2HB   LYS  23          2HB       LYS  23   8.307   4.260   6.820
  160   2HG   LYS  23          2HG       LYS  23   8.567   1.289   6.325
  161   2HD   LYS  23          2HD       LYS  23   8.059   1.910   8.857
  162   2HE   LYS  23          2HE       LYS  23   6.038   3.402   7.615
  163   1HZ   LYS  23          1HZ       LYS  23   4.712   1.566   7.148
  164   2HZ   LYS  23          2HZ       LYS  23   5.023   0.827   8.572
  165   3HZ   LYS  23          3HZ       LYS  23   4.086   2.164   8.534
  166    H    TRP  24           H        TRP  24  10.143   1.189   4.405
  167    HA   TRP  24           HA       TRP  24  11.926  -0.180   6.150
  168   2HB   TRP  24          2HB       TRP  24  11.981  -1.784   4.127
  169    HD1  TRP  24           HD       TRP  24   9.824  -0.571   6.908
  170    HE1  TRP  24           1HE      TRP  24   8.056  -2.358   7.708
  171    HE3  TRP  24           3HE      TRP  24  10.390  -3.684   2.928
  172    HZ2  TRP  24           2HZ      TRP  24   7.113  -4.818   6.612
  173    HZ3  TRP  24           3HZ      TRP  24   9.007  -5.758   2.870
  174    HH2  TRP  24           HH       TRP  24   7.412  -6.345   4.628
  175    H    GLY  25           H        GLY  25  14.168  -0.444   5.955
  176   1HA   GLY  25          1HA       GLY  25  15.457   1.303   3.955
  177   2HA   GLY  25          2HA       GLY  25  16.116   0.863   5.519
  178    H    TRP  26           H        TRP  26  16.943   0.458   2.513
  179    HA   TRP  26           HA       TRP  26  17.196  -2.455   2.547
  180   2HB   TRP  26          2HB       TRP  26  18.314  -1.237   0.213
  181    HD1  TRP  26           HD       TRP  26  15.071  -3.032   1.473
  182    HE1  TRP  26           1HE      TRP  26  14.479  -5.070  -0.095
  183    HE3  TRP  26           3HE      TRP  26  18.838  -2.245  -1.851
  184    HZ2  TRP  26           2HZ      TRP  26  15.628  -6.102  -2.496
  185    HZ3  TRP  26           3HZ      TRP  26  19.032  -3.814  -3.778
  186    HH2  TRP  26           HH       TRP  26  17.505  -5.690  -4.128
  Start of MODEL   13
    1   1H    LYS   1           H        LYS   1 -16.606   6.362   1.192
    2    HA   LYS   1           HA       LYS   1 -16.467   9.057   0.029
    3   2HB   LYS   1          2HB       LYS   1 -15.142   6.476  -0.834
    4   2HG   LYS   1          2HG       LYS   1 -16.072   8.718  -2.445
    5   2HD   LYS   1          2HD       LYS   1 -13.566   9.332  -1.621
    6   2HE   LYS   1          2HE       LYS   1 -12.910   6.977  -2.698
    7   1HZ   LYS   1          1HZ       LYS   1 -12.163   7.428  -4.981
    8   2HZ   LYS   1          2HZ       LYS   1 -13.789   7.385  -4.838
    9   3HZ   LYS   1          3HZ       LYS   1 -13.020   8.818  -4.982
   10    H    SER   2           H        SER   2 -17.317   5.648  -0.919
   11    HA   SER   2           HA       SER   2 -19.976   6.166  -1.306
   12   2HB   SER   2          2HB       SER   2 -19.266   5.908  -4.079
   13    HG   SER   2           HG       SER   2 -20.269   8.181  -4.019
   14    H    SER   3           H        SER   3 -20.563   4.081  -0.804
   15    HA   SER   3           HA       SER   3 -20.449   1.896  -0.648
   16   2HB   SER   3          2HB       SER   3 -20.903   0.723  -2.739
   17    HG   SER   3           HG       SER   3 -21.841   3.415  -3.185
   18    H    ALA   4           H        ALA   4 -18.160   2.266   0.334
   19    HA   ALA   4           HA       ALA   4 -16.456   0.273  -0.608
   20   1HB   ALA   4          1HB       ALA   4 -14.755   1.391  -1.740
   21   2HB   ALA   4          2HB       ALA   4 -16.196   2.240  -2.348
   22   3HB   ALA   4          3HB       ALA   4 -15.204   2.976  -1.067
   23    H    TYR   5           H        TYR   5 -14.475   0.130   0.762
   24    HA   TYR   5           HA       TYR   5 -14.906   1.598   3.275
   25   2HB   TYR   5          2HB       TYR   5 -13.319  -0.592   3.845
   26    HD1  TYR   5           1HD      TYR   5 -14.259  -1.488   5.761
   27    HD2  TYR   5           2HD      TYR   5 -16.833  -0.408   2.519
   28    HE1  TYR   5           1HE      TYR   5 -16.286  -2.167   7.135
   29    HE2  TYR   5           2HE      TYR   5 -18.853  -1.091   3.905
   30    HH   TYR   5           HH       TYR   5 -19.019  -2.939   6.053
   31    H    SER   6           H        SER   6 -12.927   1.422   0.530
   32    HA   SER   6           HA       SER   6 -11.101   3.203   1.514
   33   2HB   SER   6          2HB       SER   6  -9.579   0.646   1.171
   34    HG   SER   6           HG       SER   6  -9.357   3.102   2.617
   35    H    LEU   7           H        LEU   7  -9.129   3.394  -0.092
   36    HA   LEU   7           HA       LEU   7  -9.983   3.732  -2.609
   37   2HB   LEU   7          2HB       LEU   7  -7.898   4.593  -1.866
   38    HG   LEU   7           HG       LEU   7  -7.044   1.725  -1.570
   39   1HD1  LEU   7          1HD1      LEU   7  -5.056   3.978  -1.876
   40   2HD1  LEU   7          2HD1      LEU   7  -4.753   2.224  -1.802
   41   3HD1  LEU   7          3HD1      LEU   7  -5.541   2.932  -3.232
   42   1HD2  LEU   7          1HD2      LEU   7  -7.331   2.379   0.553
   43   2HD2  LEU   7          2HD2      LEU   7  -5.768   3.203   0.341
   44   3HD2  LEU   7          3HD2      LEU   7  -7.286   4.109   0.136
   45    H    GLN   8           H        GLN   8  -8.647   0.683  -1.211
   46    HA   GLN   8           HA       GLN   8  -9.990  -0.701  -3.365
   47   2HB   GLN   8          2HB       GLN   8  -7.822  -2.239  -3.392
   48   2HG   GLN   8          2HG       GLN   8  -8.823  -0.700  -5.249
   49   1HE2  GLN   8          1HE2      GLN   8  -7.827   0.956  -6.758
   50   2HE2  GLN   8          2HE2      GLN   8  -7.283   2.444  -6.058
   51    H    MET   9           H        MET   9  -7.589  -2.431  -1.492
   52    HA   MET   9           HA       MET   9  -8.803  -2.872   0.866
   53   2HB   MET   9          2HB       MET   9 -10.835  -3.697  -0.127
   54   2HG   MET   9          2HG       MET   9  -9.016  -5.234  -2.041
   55   1HE   MET   9          1HE       MET   9 -10.450  -6.568  -4.158
   56   2HE   MET   9          2HE       MET   9  -9.538  -7.312  -2.823
   57   3HE   MET   9          3HE       MET   9 -11.139  -7.948  -3.270
   58    H    GLY  10           H        GLY  10  -7.254  -4.400  -1.986
   59   1HA   GLY  10          1HA       GLY  10  -5.060  -5.300  -0.353
   60   2HA   GLY  10          2HA       GLY  10  -6.062  -6.609  -0.947
   61    H    ALA  11           H        ALA  11  -4.896  -3.450  -2.337
   62    HA   ALA  11           HA       ALA  11  -3.455  -4.920  -4.374
   63   1HB   ALA  11          1HB       ALA  11  -5.480  -4.846  -5.554
   64   2HB   ALA  11          2HB       ALA  11  -5.929  -3.261  -4.879
   65   3HB   ALA  11          3HB       ALA  11  -4.649  -3.374  -6.111
   66    H    THR  12           H        THR  12  -4.512  -1.629  -4.982
   67    HA   THR  12           HA       THR  12  -2.084  -0.511  -5.262
   68    HB   THR  12           HB       THR  12  -3.270   1.639  -4.814
   69    HG1  THR  12           1HG      THR  12  -5.111  -0.330  -3.662
   70   1HG2  THR  12          1HG2      THR  12  -4.013  -0.090  -6.782
   71   2HG2  THR  12          2HG2      THR  12  -5.522  -0.073  -5.840
   72   3HG2  THR  12          3HG2      THR  12  -4.869   1.445  -6.501
   73    H    ALA  13           H        ALA  13  -3.876  -0.739  -2.125
   74    HA   ALA  13           HA       ALA  13  -2.255   0.623  -0.493
   75   1HB   ALA  13          1HB       ALA  13  -4.105  -1.601  -0.294
   76   2HB   ALA  13          2HB       ALA  13  -2.773  -1.804   0.868
   77   3HB   ALA  13          3HB       ALA  13  -3.754  -0.319   0.890
   78    H    ILE  14           H        ILE  14  -1.604  -2.608  -1.937
   79    HA   ILE  14           HA       ILE  14   0.579  -3.366  -0.507
   80    HB   ILE  14           HB       ILE  14   0.021  -3.645  -3.461
   81   2HG1  ILE  14          2HG1      ILE  14  -1.642  -4.536  -1.723
   82   1HG2  ILE  14          1HG2      ILE  14   1.576  -5.566  -3.387
   83   2HG2  ILE  14          2HG2      ILE  14   2.385  -4.008  -3.093
   84   3HG2  ILE  14          3HG2      ILE  14   2.040  -5.102  -1.732
   85   1HD1  ILE  14          1HD1      ILE  14  -1.950  -6.641  -2.967
   86   2HD1  ILE  14          2HD1      ILE  14  -1.518  -5.331  -4.093
   87   3HD1  ILE  14          3HD1      ILE  14  -0.292  -6.527  -3.605
   88    H    LYS  15           H        LYS  15   0.541  -1.197  -3.419
   89    HA   LYS  15           HA       LYS  15   3.209  -0.718  -3.615
   90   2HB   LYS  15          2HB       LYS  15   1.146   0.112  -4.999
   91   2HG   LYS  15          2HG       LYS  15   0.423   1.616  -3.001
   92   2HD   LYS  15          2HD       LYS  15   3.038   2.804  -3.768
   93   2HE   LYS  15          2HE       LYS  15   1.160   4.370  -4.734
   94   1HZ   LYS  15          1HZ       LYS  15   0.854   5.731  -2.365
   95   2HZ   LYS  15          2HZ       LYS  15  -0.313   5.015  -3.254
   96   3HZ   LYS  15          3HZ       LYS  15   0.421   4.189  -2.051
   97    H    GLN  16           H        GLN  16   0.844   0.728  -1.319
   98    HA   GLN  16           HA       GLN  16   2.465   2.679  -0.303
   99   2HB   GLN  16          2HB       GLN  16   0.831   1.393   1.768
  100   2HG   GLN  16          2HG       GLN  16   0.164   3.938   0.267
  101   1HE2  GLN  16          1HE2      GLN  16   1.073   2.691   3.482
  102   2HE2  GLN  16          2HE2      GLN  16  -0.337   3.226   4.333
  103    H    VAL  17           H        VAL  17   2.193  -0.808   0.599
  104    HA   VAL  17           HA       VAL  17   3.823  -0.760   2.828
  105    HB   VAL  17           HB       VAL  17   2.340  -2.599   1.791
  106   1HG1  VAL  17          1HG1      VAL  17   3.039  -3.727  -0.004
  107   2HG1  VAL  17          2HG1      VAL  17   4.351  -2.535  -0.172
  108   3HG1  VAL  17          3HG1      VAL  17   4.626  -4.038   0.740
  109   1HG2  VAL  17          1HG2      VAL  17   3.709  -4.382   2.916
  110   2HG2  VAL  17          2HG2      VAL  17   5.011  -3.182   3.105
  111   3HG2  VAL  17          3HG2      VAL  17   3.440  -2.923   3.901
  112    H    LYS  18           H        LYS  18   4.596  -0.676  -0.653
  113    HA   LYS  18           HA       LYS  18   7.319  -1.318  -0.380
  114   2HB   LYS  18          2HB       LYS  18   5.482  -0.431  -2.470
  115   2HG   LYS  18          2HG       LYS  18   7.642   0.252  -3.864
  116   2HD   LYS  18          2HD       LYS  18   7.250   2.716  -2.813
  117   2HE   LYS  18          2HE       LYS  18   4.857   1.474  -4.178
  118   1HZ   LYS  18          1HZ       LYS  18   5.951   3.595  -5.509
  119   2HZ   LYS  18          2HZ       LYS  18   4.610   3.611  -4.577
  120   3HZ   LYS  18          3HZ       LYS  18   6.060   3.994  -3.929
  121    H    LYS  19           H        LYS  19   5.431   1.701  -0.060
  122    HA   LYS  19           HA       LYS  19   7.648   3.430  -0.089
  123   2HB   LYS  19          2HB       LYS  19   4.773   3.579   0.346
  124   2HG   LYS  19          2HG       LYS  19   5.104   5.852   1.598
  125   2HD   LYS  19          2HD       LYS  19   5.488   4.274   3.841
  126   2HE   LYS  19          2HE       LYS  19   2.884   3.786   3.439
  127   1HZ   LYS  19          1HZ       LYS  19   2.509   5.796   4.418
  128   2HZ   LYS  19          2HZ       LYS  19   4.091   5.596   4.769
  129   3HZ   LYS  19          3HZ       LYS  19   3.645   6.593   3.556
  130    H    LEU  20           H        LEU  20   6.454   1.123   2.229
  131    HA   LEU  20           HA       LEU  20   7.791   2.468   4.429
  132   2HB   LEU  20          2HB       LEU  20   5.500   0.998   4.271
  133    HG   LEU  20           HG       LEU  20   6.897  -1.132   4.145
  134   1HD1  LEU  20          1HD1      LEU  20   8.578  -1.410   5.563
  135   2HD1  LEU  20          2HD1      LEU  20   8.152   0.092   6.416
  136   3HD1  LEU  20          3HD1      LEU  20   7.413  -1.450   6.908
  137   1HD2  LEU  20          1HD2      LEU  20   4.665  -0.475   5.950
  138   2HD2  LEU  20          2HD2      LEU  20   4.827  -1.763   4.732
  139   3HD2  LEU  20          3HD2      LEU  20   5.531  -1.977   6.353
  140    H    PHE  21           H        PHE  21   8.424   0.187   1.907
  141    HA   PHE  21           HA       PHE  21  10.301  -1.407   3.299
  142   2HB   PHE  21          2HB       PHE  21  10.669  -0.963   0.375
  143    HD1  PHE  21           1HD      PHE  21   8.413  -3.383   2.044
  144    HD2  PHE  21           2HD      PHE  21  12.216  -2.735   0.277
  145    HE1  PHE  21           1HE      PHE  21   8.863  -5.851   2.111
  146    HE2  PHE  21           2HE      PHE  21  12.667  -5.203   0.344
  147    HZ   PHE  21           HZ       PHE  21  10.986  -6.732   1.259
  148    H    LYS  22           H        LYS  22  10.356   1.850   2.123
  149    HA   LYS  22           HA       LYS  22  12.845   2.232   1.143
  150   2HB   LYS  22          2HB       LYS  22  10.885   3.876   1.670
  151   2HG   LYS  22          2HG       LYS  22  11.695   5.407   3.607
  152   2HD   LYS  22          2HD       LYS  22  10.346   2.715   3.949
  153   2HE   LYS  22          2HE       LYS  22  11.581   4.281   6.076
  154   1HZ   LYS  22          1HZ       LYS  22   8.885   4.779   5.716
  155   2HZ   LYS  22          2HZ       LYS  22   9.015   3.806   7.021
  156   3HZ   LYS  22          3HZ       LYS  22   9.826   5.223   6.975
  157    H    LYS  23           H        LYS  23  11.898   1.720   4.577
  158    HA   LYS  23           HA       LYS  23  14.634   2.031   5.430
  159   2HB   LYS  23          2HB       LYS  23  12.750   2.851   6.797
  160   2HG   LYS  23          2HG       LYS  23  12.151  -0.084   7.354
  161   2HD   LYS  23          2HD       LYS  23   9.921   1.242   8.044
  162   2HE   LYS  23          2HE       LYS  23  12.486   0.775   9.565
  163   1HZ   LYS  23          1HZ       LYS  23  10.097   1.988  10.760
  164   2HZ   LYS  23          2HZ       LYS  23  11.508   1.640  11.504
  165   3HZ   LYS  23          3HZ       LYS  23  11.443   2.838  10.396
  166    H    TRP  24           H        TRP  24  12.161  -0.632   5.363
  167    HA   TRP  24           HA       TRP  24  13.657  -2.681   6.275
  168   2HB   TRP  24          2HB       TRP  24  12.314  -4.121   4.704
  169    HD1  TRP  24           HD       TRP  24  12.000  -2.048   7.648
  170    HE1  TRP  24           1HE      TRP  24   9.749  -2.354   8.989
  171    HE3  TRP  24           3HE      TRP  24   9.489  -4.424   3.919
  172    HZ2  TRP  24           2HZ      TRP  24   7.226  -3.529   8.355
  173    HZ3  TRP  24           3HZ      TRP  24   7.135  -5.118   4.362
  174    HH2  TRP  24           HH       TRP  24   6.003  -4.705   6.489
  175    H    GLY  25           H        GLY  25  15.599  -3.567   5.702
  176   1HA   GLY  25          1HA       GLY  25  16.355  -4.116   3.054
  177   2HA   GLY  25          2HA       GLY  25  17.106  -2.610   3.541
  178    H    TRP  26           H        TRP  26  17.364  -6.014   3.593
  179    HA   TRP  26           HA       TRP  26  18.724  -6.345   6.052
  180   2HB   TRP  26          2HB       TRP  26  17.543  -8.080   4.549
  181    HD1  TRP  26           HD       TRP  26  19.588  -6.506   2.264
  182    HE1  TRP  26           1HE      TRP  26  20.648  -7.977   0.346
  183    HE3  TRP  26           3HE      TRP  26  18.940 -10.971   4.609
  184    HZ2  TRP  26           2HZ      TRP  26  21.086 -10.779   0.033
  185    HZ3  TRP  26           3HZ      TRP  26  19.711 -13.026   3.428
  186    HH2  TRP  26           HH       TRP  26  20.752 -12.980   1.217
  Start of MODEL   14
    1   1H    LYS   1           H        LYS   1  -5.941   9.553  -1.214
    2    HA   LYS   1           HA       LYS   1  -3.977  10.305  -2.078
    3   2HB   LYS   1          2HB       LYS   1  -4.371  12.701  -0.335
    4   2HG   LYS   1          2HG       LYS   1  -4.414  12.387  -3.365
    5   2HD   LYS   1          2HD       LYS   1  -3.215  14.780  -2.779
    6   2HE   LYS   1          2HE       LYS   1  -5.966  15.405  -2.719
    7   1HZ   LYS   1          1HZ       LYS   1  -5.609  15.788  -5.029
    8   2HZ   LYS   1          2HZ       LYS   1  -4.259  16.236  -4.226
    9   3HZ   LYS   1          3HZ       LYS   1  -4.284  14.832  -5.059
   10    H    SER   2           H        SER   2  -2.527   8.701  -1.108
   11    HA   SER   2           HA       SER   2  -0.686   8.156  -0.098
   12   2HB   SER   2          2HB       SER   2  -0.436  11.139   0.478
   13    HG   SER   2           HG       SER   2   1.843  10.637   0.742
   14    H    SER   3           H        SER   3  -1.171   6.863   1.655
   15    HA   SER   3           HA       SER   3  -1.732   6.239   3.658
   16   2HB   SER   3          2HB       SER   3  -0.836   8.844   4.883
   17    HG   SER   3           HG       SER   3   0.303   7.334   6.272
   18    H    ALA   4           H        ALA   4  -3.978   6.110   3.751
   19    HA   ALA   4           HA       ALA   4  -5.315   8.424   4.929
   20   1HB   ALA   4          1HB       ALA   4  -7.184   8.176   3.333
   21   2HB   ALA   4          2HB       ALA   4  -5.667   8.570   2.490
   22   3HB   ALA   4          3HB       ALA   4  -6.285   6.902   2.476
   23    H    TYR   5           H        TYR   5  -6.401   5.253   3.549
   24    HA   TYR   5           HA       TYR   5  -6.493   3.930   6.023
   25   2HB   TYR   5          2HB       TYR   5  -9.252   4.044   5.612
   26    HD1  TYR   5           1HD      TYR   5  -8.912   7.329   6.668
   27    HD2  TYR   5           2HD      TYR   5  -8.022   3.347   7.954
   28    HE1  TYR   5           1HE      TYR   5  -8.874   8.111   9.086
   29    HE2  TYR   5           2HE      TYR   5  -7.986   4.143  10.369
   30    HH   TYR   5           HH       TYR   5  -9.128   6.119  11.628
   31    H    SER   6           H        SER   6  -5.682   3.506   3.230
   32    HA   SER   6           HA       SER   6  -7.330   2.229   1.610
   33   2HB   SER   6          2HB       SER   6  -5.035   2.411   0.991
   34    HG   SER   6           HG       SER   6  -3.680   0.619   2.388
   35    H    LEU   7           H        LEU   7  -8.416   0.233   1.448
   36    HA   LEU   7           HA       LEU   7  -8.628  -1.223   3.945
   37   2HB   LEU   7          2HB       LEU   7 -10.673  -0.571   2.917
   38    HG   LEU   7           HG       LEU   7  -9.487  -1.059   0.429
   39   1HD1  LEU   7          1HD1      LEU   7 -11.168  -3.341   1.245
   40   2HD1  LEU   7          2HD1      LEU   7 -11.568  -2.634  -0.340
   41   3HD1  LEU   7          3HD1      LEU   7  -9.917  -3.217  -0.016
   42   1HD2  LEU   7          1HD2      LEU   7 -11.372   0.541   1.299
   43   2HD2  LEU   7          2HD2      LEU   7 -11.310   0.060  -0.414
   44   3HD2  LEU   7          3HD2      LEU   7 -12.454  -0.736   0.694
   45    H    GLN   8           H        GLN   8  -7.643  -1.716   0.510
   46    HA   GLN   8           HA       GLN   8  -6.462  -3.260  -0.455
   47   2HB   GLN   8          2HB       GLN   8  -4.957  -4.627   1.438
   48   2HG   GLN   8          2HG       GLN   8  -4.540  -2.721  -0.566
   49   1HE2  GLN   8          1HE2      GLN   8  -2.662  -1.152  -0.570
   50   2HE2  GLN   8          2HE2      GLN   8  -2.655   0.087   0.640
   51    H    MET   9           H        MET   9  -7.449  -5.016  -1.344
   52    HA   MET   9           HA       MET   9  -7.893  -7.309   0.264
   53   2HB   MET   9          2HB       MET   9 -10.428  -7.301  -0.585
   54   2HG   MET   9          2HG       MET   9 -10.091  -5.261   1.577
   55   1HE   MET   9          1HE       MET   9 -11.647  -8.597   3.575
   56   2HE   MET   9          2HE       MET   9 -11.144  -9.376   2.056
   57   3HE   MET   9          3HE       MET   9 -10.007  -8.326   2.937
   58    H    GLY  10           H        GLY  10  -8.648  -5.574  -2.821
   59   1HA   GLY  10          1HA       GLY  10  -9.199  -7.595  -4.530
   60   2HA   GLY  10          2HA       GLY  10  -8.242  -6.191  -4.957
   61    H    ALA  11           H        ALA  11  -5.946  -6.326  -5.081
   62    HA   ALA  11           HA       ALA  11  -4.468  -8.490  -4.124
   63   1HB   ALA  11          1HB       ALA  11  -6.008  -9.359  -6.187
   64   2HB   ALA  11          2HB       ALA  11  -4.593  -8.763  -7.089
   65   3HB   ALA  11          3HB       ALA  11  -4.388 -10.007  -5.832
   66    H    THR  12           H        THR  12  -4.761  -6.360  -7.059
   67    HA   THR  12           HA       THR  12  -2.015  -5.821  -7.224
   68    HB   THR  12           HB       THR  12  -2.791  -4.058  -8.792
   69    HG1  THR  12           1HG      THR  12  -4.599  -3.128  -7.855
   70   1HG2  THR  12          1HG2      THR  12  -4.911  -6.220  -9.026
   71   2HG2  THR  12          2HG2      THR  12  -4.008  -5.400 -10.323
   72   3HG2  THR  12          3HG2      THR  12  -3.204  -6.629  -9.317
   73    H    ALA  13           H        ALA  13  -4.705  -4.007  -5.627
   74    HA   ALA  13           HA       ALA  13  -3.458  -1.770  -4.857
   75   1HB   ALA  13          1HB       ALA  13  -5.513  -3.566  -3.657
   76   2HB   ALA  13          2HB       ALA  13  -4.802  -2.344  -2.574
   77   3HB   ALA  13          3HB       ALA  13  -5.607  -1.839  -4.079
   78    H    ILE  14           H        ILE  14  -3.123  -5.017  -3.292
   79    HA   ILE  14           HA       ILE  14  -1.582  -4.347  -1.160
   80    HB   ILE  14           HB       ILE  14  -1.433  -6.761  -2.964
   81   2HG1  ILE  14          2HG1      ILE  14  -3.631  -6.274  -1.889
   82   1HG2  ILE  14          1HG2      ILE  14  -0.195  -7.909  -1.319
   83   2HG2  ILE  14          2HG2      ILE  14   0.635  -6.351  -1.547
   84   3HG2  ILE  14          3HG2      ILE  14  -0.408  -6.604  -0.127
   85   1HD1  ILE  14          1HD1      ILE  14  -2.364  -8.672  -0.529
   86   2HD1  ILE  14          2HD1      ILE  14  -4.005  -8.509  -1.199
   87   3HD1  ILE  14          3HD1      ILE  14  -2.606  -8.648  -2.293
   88    H    LYS  15           H        LYS  15  -0.418  -5.083  -4.519
   89    HA   LYS  15           HA       LYS  15   2.249  -4.777  -4.115
   90   2HB   LYS  15          2HB       LYS  15   0.404  -4.692  -6.356
   91   2HG   LYS  15          2HG       LYS  15   2.282  -3.600  -7.829
   92   2HD   LYS  15          2HD       LYS  15   1.124  -1.315  -6.431
   93   2HE   LYS  15          2HE       LYS  15   0.887  -2.680  -9.115
   94   1HZ   LYS  15          1HZ       LYS  15  -0.647  -0.413  -9.142
   95   2HZ   LYS  15          2HZ       LYS  15  -1.161  -1.949  -9.350
   96   3HZ   LYS  15          3HZ       LYS  15  -1.187  -1.275  -7.864
   97    H    GLN  16           H        GLN  16  -0.249  -2.215  -4.514
   98    HA   GLN  16           HA       GLN  16   1.451  -0.086  -4.737
   99   2HB   GLN  16          2HB       GLN  16  -0.446   1.284  -4.007
  100   2HG   GLN  16          2HG       GLN  16  -1.633  -1.162  -5.376
  101   1HE2  GLN  16          1HE2      GLN  16  -1.068   2.214  -6.261
  102   2HE2  GLN  16          2HE2      GLN  16  -2.725   2.709  -6.351
  103    H    VAL  17           H        VAL  17   0.189  -1.746  -1.789
  104    HA   VAL  17           HA       VAL  17   1.146   0.018   0.102
  105    HB   VAL  17           HB       VAL  17  -0.358  -2.075   0.263
  106   1HG1  VAL  17          1HG1      VAL  17   2.069  -3.359  -0.319
  107   2HG1  VAL  17          2HG1      VAL  17   1.779  -3.669   1.410
  108   3HG1  VAL  17          3HG1      VAL  17   0.546  -4.117   0.207
  109   1HG2  VAL  17          1HG2      VAL  17   1.674  -1.485   2.443
  110   2HG2  VAL  17          2HG2      VAL  17   0.171  -0.581   2.143
  111   3HG2  VAL  17          3HG2      VAL  17   0.097  -2.281   2.664
  112    H    LYS  18           H        LYS  18   2.821  -2.449  -1.853
  113    HA   LYS  18           HA       LYS  18   5.173  -2.512  -0.314
  114   2HB   LYS  18          2HB       LYS  18   4.189  -3.588  -2.844
  115   2HG   LYS  18          2HG       LYS  18   6.734  -4.032  -3.473
  116   2HD   LYS  18          2HD       LYS  18   6.591  -1.612  -4.699
  117   2HE   LYS  18          2HE       LYS  18   4.996  -2.728  -6.364
  118   1HZ   LYS  18          1HZ       LYS  18   7.520  -3.662  -5.464
  119   2HZ   LYS  18          2HZ       LYS  18   6.665  -4.832  -6.214
  120   3HZ   LYS  18          3HZ       LYS  18   6.982  -3.430  -6.988
  121    H    LYS  19           H        LYS  19   3.960  -0.394  -2.932
  122    HA   LYS  19           HA       LYS  19   6.424   0.884  -3.405
  123   2HB   LYS  19          2HB       LYS  19   3.657   1.090  -4.287
  124   2HG   LYS  19          2HG       LYS  19   4.071   3.539  -5.051
  125   2HD   LYS  19          2HD       LYS  19   3.527   4.233  -2.427
  126   2HE   LYS  19          2HE       LYS  19   1.086   3.495  -3.095
  127   1HZ   LYS  19          1HZ       LYS  19   2.364   5.688  -3.507
  128   2HZ   LYS  19          2HZ       LYS  19   2.309   5.231  -5.074
  129   3HZ   LYS  19          3HZ       LYS  19   0.924   5.433  -4.233
  130    H    LEU  20           H        LEU  20   4.209   0.945  -0.753
  131    HA   LEU  20           HA       LEU  20   5.117   3.594   0.066
  132   2HB   LEU  20          2HB       LEU  20   2.664   2.413   0.157
  133    HG   LEU  20           HG       LEU  20   3.470   0.983   2.124
  134   1HD1  LEU  20          1HD1      LEU  20   3.020   2.899   4.170
  135   2HD1  LEU  20          2HD1      LEU  20   4.493   1.960   3.830
  136   3HD1  LEU  20          3HD1      LEU  20   4.264   3.559   3.081
  137   1HD2  LEU  20          1HD2      LEU  20   1.040   1.962   1.482
  138   2HD2  LEU  20          2HD2      LEU  20   1.340   0.873   2.858
  139   3HD2  LEU  20          3HD2      LEU  20   1.218   2.630   3.122
  140    H    PHE  21           H        PHE  21   5.868   0.248   0.396
  141    HA   PHE  21           HA       PHE  21   6.713   0.190   3.057
  142   2HB   PHE  21          2HB       PHE  21   8.296  -1.354   1.060
  143    HD1  PHE  21           1HD      PHE  21   9.220  -2.980   2.398
  144    HD2  PHE  21           2HD      PHE  21   5.159  -1.914   3.018
  145    HE1  PHE  21           1HE      PHE  21   9.026  -4.746   4.171
  146    HE2  PHE  21           2HE      PHE  21   4.966  -3.680   4.791
  147    HZ   PHE  21           HZ       PHE  21   6.902  -5.075   5.346
  148    H    LYS  22           H        LYS  22   8.024   1.784   0.248
  149    HA   LYS  22           HA       LYS  22  10.746   1.695   0.980
  150   2HB   LYS  22          2HB       LYS  22  10.504   2.210  -1.231
  151   2HG   LYS  22          2HG       LYS  22   8.100   2.460  -1.361
  152   2HD   LYS  22          2HD       LYS  22   7.809   3.689   0.812
  153   2HE   LYS  22          2HE       LYS  22   9.408   5.421   0.866
  154   1HZ   LYS  22          1HZ       LYS  22   8.610   5.901  -1.907
  155   2HZ   LYS  22          2HZ       LYS  22   9.452   7.016  -1.062
  156   3HZ   LYS  22          3HZ       LYS  22  10.093   5.538  -1.328
  157    H    LYS  23           H        LYS  23   8.101   3.022   2.570
  158    HA   LYS  23           HA       LYS  23   9.814   5.080   3.780
  159   2HB   LYS  23          2HB       LYS  23   7.882   5.971   2.461
  160   2HG   LYS  23          2HG       LYS  23   6.461   3.997   4.092
  161   2HD   LYS  23          2HD       LYS  23   6.112   6.242   5.399
  162   2HE   LYS  23          2HE       LYS  23   5.588   7.296   2.938
  163   1HZ   LYS  23          1HZ       LYS  23   3.477   7.068   2.358
  164   2HZ   LYS  23          2HZ       LYS  23   3.424   5.765   3.341
  165   3HZ   LYS  23          3HZ       LYS  23   2.906   7.217   3.881
  166    H    TRP  24           H        TRP  24   7.721   2.261   4.159
  167    HA   TRP  24           HA       TRP  24   7.620   2.535   7.029
  168   2HB   TRP  24          2HB       TRP  24   6.651   0.120   6.689
  169    HD1  TRP  24           HD       TRP  24   5.896   3.726   6.744
  170    HE1  TRP  24           1HE      TRP  24   3.342   4.274   7.117
  171    HE3  TRP  24           3HE      TRP  24   4.208  -0.976   5.791
  172    HZ2  TRP  24           2HZ      TRP  24   0.956   2.715   6.974
  173    HZ3  TRP  24           3HZ      TRP  24   1.752  -1.377   5.929
  174    HH2  TRP  24           HH       TRP  24   0.145   0.374   6.496
  175    H    GLY  25           H        GLY  25   8.750   1.146   8.512
  176   1HA   GLY  25          1HA       GLY  25  10.314  -0.386   9.161
  177   2HA   GLY  25          2HA       GLY  25  10.664  -0.766   7.486
  178    H    TRP  26           H        TRP  26  12.972  -0.701   8.254
  179    HA   TRP  26           HA       TRP  26  14.173   1.582   9.252
  180   2HB   TRP  26          2HB       TRP  26  15.230  -0.599   9.248
  181    HD1  TRP  26           HD       TRP  26  13.456  -0.933   6.373
  182    HE1  TRP  26           1HE      TRP  26  14.432  -2.455   4.451
  183    HE3  TRP  26           3HE      TRP  26  18.268  -0.823   8.012
  184    HZ2  TRP  26           2HZ      TRP  26  17.048  -3.421   3.846
  185    HZ3  TRP  26           3HZ      TRP  26  19.971  -2.081   6.698
  186    HH2  TRP  26           HH       TRP  26  19.427  -3.349   4.680
  Start of MODEL   15
    1   1H    LYS   1           H        LYS   1  -9.938   5.891   5.774
    2    HA   LYS   1           HA       LYS   1  -8.619   7.741   7.630
    3   2HB   LYS   1          2HB       LYS   1  -7.072   7.350   5.814
    4   2HG   LYS   1          2HG       LYS   1  -9.331   8.243   3.960
    5   2HD   LYS   1          2HD       LYS   1  -6.426   8.079   3.682
    6   2HE   LYS   1          2HE       LYS   1  -8.140   6.358   1.828
    7   1HZ   LYS   1          1HZ       LYS   1  -6.725   7.154   0.327
    8   2HZ   LYS   1          2HZ       LYS   1  -5.671   7.750   1.423
    9   3HZ   LYS   1          3HZ       LYS   1  -5.622   6.168   1.020
   10    H    SER   2           H        SER   2 -10.881   7.371   4.820
   11    HA   SER   2           HA       SER   2 -12.715   9.071   6.224
   12   2HB   SER   2          2HB       SER   2 -11.811   9.783   3.399
   13    HG   SER   2           HG       SER   2 -13.282  11.493   5.161
   14    H    SER   3           H        SER   3 -12.029   7.606   2.957
   15    HA   SER   3           HA       SER   3 -14.366   5.969   3.300
   16   2HB   SER   3          2HB       SER   3 -14.869   6.721   0.741
   17    HG   SER   3           HG       SER   3 -16.468   8.194   1.638
   18    H    ALA   4           H        ALA   4 -14.177   3.986   2.169
   19    HA   ALA   4           HA       ALA   4 -11.961   3.768   0.276
   20   1HB   ALA   4          1HB       ALA   4 -11.340   3.135   2.727
   21   2HB   ALA   4          2HB       ALA   4 -12.355   1.700   2.448
   22   3HB   ALA   4          3HB       ALA   4 -10.930   1.994   1.424
   23    H    TYR   5           H        TYR   5 -12.427   0.728   0.525
   24    HA   TYR   5           HA       TYR   5 -13.577  -0.785  -0.621
   25   2HB   TYR   5          2HB       TYR   5 -16.250  -0.047  -0.414
   26    HD1  TYR   5           1HD      TYR   5 -14.947  -2.567  -0.173
   27    HD2  TYR   5           2HD      TYR   5 -15.905   0.212   2.934
   28    HE1  TYR   5           1HE      TYR   5 -14.976  -4.461   1.523
   29    HE2  TYR   5           2HE      TYR   5 -15.931  -1.690   4.619
   30    HH   TYR   5           HH       TYR   5 -14.598  -4.195   4.525
   31    H    SER   6           H        SER   6 -12.827   1.911  -1.960
   32    HA   SER   6           HA       SER   6 -14.770   1.703  -4.125
   33   2HB   SER   6          2HB       SER   6 -12.948   4.062  -4.040
   34    HG   SER   6           HG       SER   6 -14.699   3.992  -5.537
   35    H    LEU   7           H        LEU   7 -11.596   0.962  -3.106
   36    HA   LEU   7           HA       LEU   7 -10.874   0.084  -5.709
   37   2HB   LEU   7          2HB       LEU   7  -9.951   2.705  -4.799
   38    HG   LEU   7           HG       LEU   7  -7.885   1.215  -4.421
   39   1HD1  LEU   7          1HD1      LEU   7  -7.251  -0.174  -6.026
   40   2HD1  LEU   7          2HD1      LEU   7  -8.574   0.398  -7.072
   41   3HD1  LEU   7          3HD1      LEU   7  -6.991   1.209  -7.116
   42   1HD2  LEU   7          1HD2      LEU   7  -6.477   2.946  -5.037
   43   2HD2  LEU   7          2HD2      LEU   7  -7.402   3.319  -6.511
   44   3HD2  LEU   7          3HD2      LEU   7  -8.055   3.762  -4.915
   45    H    GLN   8           H        GLN   8  -9.417   1.137  -2.547
   46    HA   GLN   8           HA       GLN   8  -7.719  -1.118  -2.531
   47   2HB   GLN   8          2HB       GLN   8  -7.127   1.045  -1.453
   48   2HG   GLN   8          2HG       GLN   8  -8.924   0.348   0.869
   49   1HE2  GLN   8          1HE2      GLN   8  -9.580   3.292  -0.486
   50   2HE2  GLN   8          2HE2      GLN   8  -8.486   4.309   0.390
   51    H    MET   9           H        MET   9  -7.716  -2.818  -0.800
   52    HA   MET   9           HA       MET   9  -9.885  -3.219   0.854
   53   2HB   MET   9          2HB       MET   9 -11.214  -3.587  -1.188
   54   2HG   MET   9          2HG       MET   9  -8.904  -4.328  -2.418
   55   1HE   MET   9          1HE       MET   9  -7.956  -7.267  -3.738
   56   2HE   MET   9          2HE       MET   9  -9.595  -7.922  -3.975
   57   3HE   MET   9          3HE       MET   9  -9.261  -6.210  -4.329
   58    H    GLY  10           H        GLY  10  -7.371  -4.689  -1.252
   59   1HA   GLY  10          1HA       GLY  10  -5.954  -5.828   0.868
   60   2HA   GLY  10          2HA       GLY  10  -7.011  -7.065   0.220
   61    H    ALA  11           H        ALA  11  -5.249  -4.326  -1.392
   62    HA   ALA  11           HA       ALA  11  -3.440  -6.167  -2.655
   63   1HB   ALA  11          1HB       ALA  11  -5.890  -5.791  -3.901
   64   2HB   ALA  11          2HB       ALA  11  -4.849  -4.591  -4.703
   65   3HB   ALA  11          3HB       ALA  11  -4.387  -6.310  -4.703
   66    H    THR  12           H        THR  12  -4.801  -2.956  -3.640
   67    HA   THR  12           HA       THR  12  -2.468  -1.717  -4.215
   68    HB   THR  12           HB       THR  12  -3.750   0.371  -3.807
   69    HG1  THR  12           1HG      THR  12  -5.439  -1.578  -2.399
   70   1HG2  THR  12          1HG2      THR  12  -5.297  -0.071  -5.442
   71   2HG2  THR  12          2HG2      THR  12  -4.686  -1.742  -5.419
   72   3HG2  THR  12          3HG2      THR  12  -6.103  -1.298  -4.437
   73    H    ALA  13           H        ALA  13  -3.963  -1.953  -0.931
   74    HA   ALA  13           HA       ALA  13  -2.338  -0.390   0.509
   75   1HB   ALA  13          1HB       ALA  13  -3.557  -1.406   2.096
   76   2HB   ALA  13          2HB       ALA  13  -4.014  -2.686   0.946
   77   3HB   ALA  13          3HB       ALA  13  -2.543  -2.860   1.933
   78    H    ILE  14           H        ILE  14  -1.568  -3.758  -0.594
   79    HA   ILE  14           HA       ILE  14   0.814  -4.153   0.584
   80    HB   ILE  14           HB       ILE  14  -0.011  -4.785  -2.249
   81   2HG1  ILE  14          2HG1      ILE  14  -1.232  -5.621  -0.010
   82   1HG2  ILE  14          1HG2      ILE  14   2.505  -4.835  -1.762
   83   2HG2  ILE  14          2HG2      ILE  14   2.145  -6.219  -0.702
   84   3HG2  ILE  14          3HG2      ILE  14   1.761  -6.304  -2.438
   85   1HD1  ILE  14          1HD1      ILE  14  -1.391  -6.255  -2.636
   86   2HD1  ILE  14          2HD1      ILE  14  -0.711  -7.781  -2.023
   87   3HD1  ILE  14          3HD1      ILE  14  -2.256  -7.174  -1.382
   88    H    LYS  15           H        LYS  15   0.307  -2.328  -2.514
   89    HA   LYS  15           HA       LYS  15   2.859  -1.666  -3.081
   90   2HB   LYS  15          2HB       LYS  15   0.344   0.003  -3.332
   91   2HG   LYS  15          2HG       LYS  15   1.745   1.058  -5.246
   92   2HD   LYS  15          2HD       LYS  15   2.990   1.840  -2.628
   93   2HE   LYS  15          2HE       LYS  15   1.451   3.328  -4.810
   94   1HZ   LYS  15          1HZ       LYS  15   1.244   4.660  -3.000
   95   2HZ   LYS  15          2HZ       LYS  15   2.617   4.145  -2.278
   96   3HZ   LYS  15          3HZ       LYS  15   2.696   5.177  -3.541
   97    H    GLN  16           H        GLN  16   0.713  -0.131  -0.622
   98    HA   GLN  16           HA       GLN  16   2.378   1.938   0.036
   99   2HB   GLN  16          2HB       GLN  16  -0.071   1.065   0.873
  100   2HG   GLN  16          2HG       GLN  16   1.819   0.724   3.251
  101   1HE2  GLN  16          1HE2      GLN  16   0.899   0.929   5.149
  102   2HE2  GLN  16          2HE2      GLN  16  -0.798   1.053   5.478
  103    H    VAL  17           H        VAL  17   2.327  -1.473   1.196
  104    HA   VAL  17           HA       VAL  17   4.130  -1.244   3.264
  105    HB   VAL  17           HB       VAL  17   2.676  -3.204   2.405
  106   1HG1  VAL  17          1HG1      VAL  17   4.999  -4.544   1.277
  107   2HG1  VAL  17          2HG1      VAL  17   3.340  -4.409   0.643
  108   3HG1  VAL  17          3HG1      VAL  17   4.528  -3.127   0.308
  109   1HG2  VAL  17          1HG2      VAL  17   4.067  -4.820   3.613
  110   2HG2  VAL  17          2HG2      VAL  17   5.464  -3.724   3.494
  111   3HG2  VAL  17          3HG2      VAL  17   4.042  -3.250   4.452
  112    H    LYS  18           H        LYS  18   4.632  -1.294  -0.268
  113    HA   LYS  18           HA       LYS  18   7.402  -1.765  -0.175
  114   2HB   LYS  18          2HB       LYS  18   5.363  -1.123  -2.158
  115   2HG   LYS  18          2HG       LYS  18   7.352  -0.356  -3.749
  116   2HD   LYS  18          2HD       LYS  18   6.841   2.125  -2.751
  117   2HE   LYS  18          2HE       LYS  18   4.486   1.797  -3.951
  118   1HZ   LYS  18          1HZ       LYS  18   5.867   1.519  -6.079
  119   2HZ   LYS  18          2HZ       LYS  18   6.076   2.859  -5.169
  120   3HZ   LYS  18          3HZ       LYS  18   7.160   1.640  -5.089
  121    H    LYS  19           H        LYS  19   5.363   1.169   0.077
  122    HA   LYS  19           HA       LYS  19   7.494   2.993  -0.169
  123   2HB   LYS  19          2HB       LYS  19   4.632   3.044   0.369
  124   2HG   LYS  19          2HG       LYS  19   4.867   5.395   1.448
  125   2HD   LYS  19          2HD       LYS  19   5.521   4.042   3.772
  126   2HE   LYS  19          2HE       LYS  19   2.976   3.350   3.679
  127   1HZ   LYS  19          1HZ       LYS  19   3.375   6.188   3.223
  128   2HZ   LYS  19          2HZ       LYS  19   2.496   5.437   4.376
  129   3HZ   LYS  19          3HZ       LYS  19   4.123   5.502   4.503
  130    H    LEU  20           H        LEU  20   6.585   0.750   2.299
  131    HA   LEU  20           HA       LEU  20   7.934   2.321   4.354
  132   2HB   LEU  20          2HB       LEU  20   5.664   0.814   4.420
  133    HG   LEU  20           HG       LEU  20   7.117  -1.296   4.396
  134   1HD1  LEU  20          1HD1      LEU  20   7.683  -1.370   7.179
  135   2HD1  LEU  20          2HD1      LEU  20   8.815  -1.464   5.808
  136   3HD1  LEU  20          3HD1      LEU  20   8.409   0.117   6.519
  137   1HD2  LEU  20          1HD2      LEU  20   5.489  -2.385   5.525
  138   2HD2  LEU  20          2HD2      LEU  20   5.589  -1.310   6.940
  139   3HD2  LEU  20          3HD2      LEU  20   4.710  -0.786   5.484
  140    H    PHE  21           H        PHE  21   8.515  -0.100   1.971
  141    HA   PHE  21           HA       PHE  21  10.380  -1.684   3.316
  142   2HB   PHE  21          2HB       PHE  21  10.881  -1.076   0.441
  143    HD1  PHE  21           1HD      PHE  21  12.148  -2.884  -0.197
  144    HD2  PHE  21           2HD      PHE  21   8.836  -3.540   2.374
  145    HE1  PHE  21           1HE      PHE  21  12.593  -5.353  -0.252
  146    HE2  PHE  21           2HE      PHE  21   9.281  -6.010   2.318
  147    HZ   PHE  21           HZ       PHE  21  11.154  -6.887   1.005
  148    H    LYS  22           H        LYS  22  10.521   1.621   2.217
  149    HA   LYS  22           HA       LYS  22  13.289   1.742   1.690
  150   2HB   LYS  22          2HB       LYS  22  12.193   3.505   0.741
  151   2HG   LYS  22          2HG       LYS  22   9.973   3.180   1.650
  152   2HD   LYS  22          2HD       LYS  22  10.690   2.553   3.975
  153   2HE   LYS  22          2HE       LYS  22  12.285   4.141   4.678
  154   1HZ   LYS  22          1HZ       LYS  22  11.799   5.779   3.007
  155   2HZ   LYS  22          2HZ       LYS  22  10.428   6.229   3.768
  156   3HZ   LYS  22          3HZ       LYS  22  11.878   6.498   4.470
  157    H    LYS  23           H        LYS  23  11.636   0.993   4.518
  158    HA   LYS  23           HA       LYS  23  13.835   2.081   6.137
  159   2HB   LYS  23          2HB       LYS  23  11.597   3.110   6.583
  160   2HG   LYS  23          2HG       LYS  23  10.843   0.284   6.714
  161   2HD   LYS  23          2HD       LYS  23  11.226   1.012   9.234
  162   2HE   LYS  23          2HE       LYS  23   8.808   1.904   9.959
  163   1HZ   LYS  23          1HZ       LYS  23  10.140   4.171   9.099
  164   2HZ   LYS  23          2HZ       LYS  23  10.124   3.526  10.599
  165   3HZ   LYS  23          3HZ       LYS  23  11.281   3.087   9.534
  166    H    TRP  24           H        TRP  24  11.894  -0.689   5.115
  167    HA   TRP  24           HA       TRP  24  13.038  -2.402   7.141
  168   2HB   TRP  24          2HB       TRP  24  11.789  -4.144   5.655
  169    HD1  TRP  24           HD       TRP  24  11.480  -1.767   8.421
  170    HE1  TRP  24           1HE      TRP  24   9.344  -2.133   9.926
  171    HE3  TRP  24           3HE      TRP  24   9.048  -4.805   5.149
  172    HZ2  TRP  24           2HZ      TRP  24   6.932  -3.620   9.588
  173    HZ3  TRP  24           3HZ      TRP  24   6.808  -5.671   5.814
  174    HH2  TRP  24           HH       TRP  24   5.747  -5.125   7.947
  175    H    GLY  25           H        GLY  25  12.869  -2.550   3.505
  176   1HA   GLY  25          1HA       GLY  25  15.621  -3.630   3.540
  177   2HA   GLY  25          2HA       GLY  25  14.388  -4.035   2.364
  178    H    TRP  26           H        TRP  26  17.056  -2.011   3.051
  179    HA   TRP  26           HA       TRP  26  16.526   0.391   1.916
  180   2HB   TRP  26          2HB       TRP  26  19.083  -0.945   1.174
  181    HD1  TRP  26           HD       TRP  26  17.355   2.186   2.706
  182    HE1  TRP  26           1HE      TRP  26  18.819   4.347   2.315
  183    HE3  TRP  26           3HE      TRP  26  21.329  -0.239   0.661
  184    HZ2  TRP  26           2HZ      TRP  26  21.417   4.789   1.219
  185    HZ3  TRP  26           3HZ      TRP  26  23.290   1.132  -0.041
  186    HH2  TRP  26           HH       TRP  26  23.374   3.562   0.209
  Start of MODEL   16
    1   1H    LYS   1           H        LYS   1 -11.925   5.518   0.794
    2    HA   LYS   1           HA       LYS   1 -10.777   6.110  -1.555
    3   2HB   LYS   1          2HB       LYS   1 -13.119   7.431  -1.859
    4   2HG   LYS   1          2HG       LYS   1 -14.129   5.077  -2.149
    5   2HD   LYS   1          2HD       LYS   1 -12.368   4.442  -3.946
    6   2HE   LYS   1          2HE       LYS   1 -14.364   6.390  -3.919
    7   1HZ   LYS   1          1HZ       LYS   1 -12.986   8.207  -3.755
    8   2HZ   LYS   1          2HZ       LYS   1 -11.791   7.555  -4.657
    9   3HZ   LYS   1          3HZ       LYS   1 -13.166   8.070  -5.373
   10    H    SER   2           H        SER   2 -12.306   8.677   0.521
   11    HA   SER   2           HA       SER   2 -10.313  10.478  -0.617
   12   2HB   SER   2          2HB       SER   2 -12.492  11.157  -1.388
   13    HG   SER   2           HG       SER   2 -14.019  11.816   0.534
   14    H    SER   3           H        SER   3 -12.496  10.007   2.262
   15    HA   SER   3           HA       SER   3 -10.347  11.153   3.863
   16   2HB   SER   3          2HB       SER   3 -12.460  11.247   5.553
   17    HG   SER   3           HG       SER   3 -12.259  13.176   3.414
   18    H    ALA   4           H        ALA   4  -9.307   8.963   3.804
   19    HA   ALA   4           HA       ALA   4 -10.158   7.425   6.063
   20   1HB   ALA   4          1HB       ALA   4 -11.375   5.895   4.953
   21   2HB   ALA   4          2HB       ALA   4 -10.997   6.662   3.391
   22   3HB   ALA   4          3HB       ALA   4  -9.900   5.435   4.070
   23    H    TYR   5           H        TYR   5  -8.574   5.320   6.074
   24    HA   TYR   5           HA       TYR   5  -5.926   6.456   5.530
   25   2HB   TYR   5          2HB       TYR   5  -6.910   5.658   7.867
   26    HD1  TYR   5           1HD      TYR   5  -8.749   4.076   7.971
   27    HD2  TYR   5           2HD      TYR   5  -4.847   2.808   6.761
   28    HE1  TYR   5           1HE      TYR   5  -9.441   1.646   8.260
   29    HE2  TYR   5           2HE      TYR   5  -5.552   0.383   7.053
   30    HH   TYR   5           HH       TYR   5  -8.606  -0.604   7.160
   31    H    SER   6           H        SER   6  -7.972   4.775   3.755
   32    HA   SER   6           HA       SER   6  -5.894   3.334   2.486
   33   2HB   SER   6          2HB       SER   6  -6.289   1.533   3.946
   34    HG   SER   6           HG       SER   6  -9.042   2.367   3.837
   35    H    LEU   7           H        LEU   7  -6.918   2.079   0.488
   36    HA   LEU   7           HA       LEU   7  -9.398   3.381  -0.342
   37   2HB   LEU   7          2HB       LEU   7  -7.885   4.841  -1.314
   38    HG   LEU   7           HG       LEU   7  -5.911   2.951  -1.088
   39   1HD1  LEU   7          1HD1      LEU   7  -5.823   3.334  -4.012
   40   2HD1  LEU   7          2HD1      LEU   7  -5.353   1.938  -3.013
   41   3HD1  LEU   7          3HD1      LEU   7  -7.063   2.196  -3.431
   42   1HD2  LEU   7          1HD2      LEU   7  -4.439   4.609  -1.936
   43   2HD2  LEU   7          2HD2      LEU   7  -5.724   5.354  -2.914
   44   3HD2  LEU   7          3HD2      LEU   7  -5.778   5.469  -1.139
   45    H    GLN   8           H        GLN   8  -6.802   1.071  -1.417
   46    HA   GLN   8           HA       GLN   8  -8.870  -0.925  -1.655
   47   2HB   GLN   8          2HB       GLN   8  -7.013  -0.865  -3.983
   48   2HG   GLN   8          2HG       GLN   8  -9.989  -0.901  -4.261
   49   1HE2  GLN   8          1HE2      GLN   8 -10.347  -1.469  -6.257
   50   2HE2  GLN   8          2HE2      GLN   8  -9.324  -2.413  -7.286
   51    H    MET   9           H        MET   9  -7.962  -3.155  -1.811
   52    HA   MET   9           HA       MET   9  -5.130  -3.301  -1.264
   53   2HB   MET   9          2HB       MET   9  -5.662  -3.420   0.999
   54   2HG   MET   9          2HG       MET   9  -8.423  -3.912  -0.067
   55   1HE   MET   9          1HE       MET   9 -10.350  -5.993   1.539
   56   2HE   MET   9          2HE       MET   9 -10.529  -4.681   2.729
   57   3HE   MET   9          3HE       MET   9 -10.285  -4.295   1.008
   58    H    GLY  10           H        GLY  10  -8.260  -5.109  -1.575
   59   1HA   GLY  10          1HA       GLY  10  -8.749  -7.081  -2.545
   60   2HA   GLY  10          2HA       GLY  10  -7.618  -6.584  -3.786
   61    H    ALA  11           H        ALA  11  -5.424  -7.356  -3.763
   62    HA   ALA  11           HA       ALA  11  -4.500  -8.989  -1.623
   63   1HB   ALA  11          1HB       ALA  11  -5.965 -10.211  -3.869
   64   2HB   ALA  11          2HB       ALA  11  -4.338 -10.892  -3.630
   65   3HB   ALA  11          3HB       ALA  11  -5.511 -10.900  -2.292
   66    H    THR  12           H        THR  12  -4.243  -8.477  -5.215
   67    HA   THR  12           HA       THR  12  -1.430  -8.728  -5.230
   68    HB   THR  12           HB       THR  12  -1.732  -7.834  -7.561
   69    HG1  THR  12           1HG      THR  12  -3.970  -7.160  -8.035
   70   1HG2  THR  12          1HG2      THR  12  -2.709 -10.237  -6.682
   71   2HG2  THR  12          2HG2      THR  12  -4.225  -9.471  -7.217
   72   3HG2  THR  12          3HG2      THR  12  -2.882  -9.687  -8.366
   73    H    ALA  13           H        ALA  13  -3.630  -5.867  -5.110
   74    HA   ALA  13           HA       ALA  13  -1.861  -3.857  -5.386
   75   1HB   ALA  13          1HB       ALA  13  -3.856  -2.892  -4.966
   76   2HB   ALA  13          2HB       ALA  13  -4.426  -4.304  -4.044
   77   3HB   ALA  13          3HB       ALA  13  -3.457  -3.046  -3.239
   78    H    ILE  14           H        ILE  14  -2.337  -5.954  -2.498
   79    HA   ILE  14           HA       ILE  14  -0.868  -4.612  -0.652
   80    HB   ILE  14           HB       ILE  14  -1.007  -7.583  -1.177
   81   2HG1  ILE  14          2HG1      ILE  14  -3.201  -6.615  -0.884
   82   1HG2  ILE  14          1HG2      ILE  14  -0.081  -8.021   0.887
   83   2HG2  ILE  14          2HG2      ILE  14   0.896  -6.638   0.343
   84   3HG2  ILE  14          3HG2      ILE  14  -0.422  -6.390   1.513
   85   1HD1  ILE  14          1HD1      ILE  14  -3.127  -7.499   1.859
   86   2HD1  ILE  14          2HD1      ILE  14  -3.727  -8.377   0.431
   87   3HD1  ILE  14          3HD1      ILE  14  -2.018  -8.518   0.910
   88    H    LYS  15           H        LYS  15   0.403  -6.965  -3.111
   89    HA   LYS  15           HA       LYS  15   3.029  -6.898  -2.478
   90   2HB   LYS  15          2HB       LYS  15   1.489  -7.249  -5.004
   91   2HG   LYS  15          2HG       LYS  15   3.976  -7.825  -5.902
   92   2HD   LYS  15          2HD       LYS  15   3.024  -4.941  -6.018
   93   2HE   LYS  15          2HE       LYS  15   3.976  -6.772  -8.257
   94   1HZ   LYS  15          1HZ       LYS  15   2.864  -4.622  -8.699
   95   2HZ   LYS  15          2HZ       LYS  15   4.099  -3.856  -7.957
   96   3HZ   LYS  15          3HZ       LYS  15   4.375  -4.727  -9.311
   97    H    GLN  16           H        GLN  16   1.159  -4.420  -4.307
   98    HA   GLN  16           HA       GLN  16   3.281  -2.880  -5.084
   99   2HB   GLN  16          2HB       GLN  16   0.537  -2.737  -5.303
  100   2HG   GLN  16          2HG       GLN  16   1.475  -0.331  -3.669
  101   1HE2  GLN  16          1HE2      GLN  16   0.569   1.430  -4.381
  102   2HE2  GLN  16          2HE2      GLN  16  -1.005   1.599  -5.085
  103    H    VAL  17           H        VAL  17   1.437  -2.900  -1.982
  104    HA   VAL  17           HA       VAL  17   2.531  -0.644  -0.840
  105    HB   VAL  17           HB       VAL  17   0.646  -2.244  -0.097
  106   1HG1  VAL  17          1HG1      VAL  17   2.324  -3.462   1.937
  107   2HG1  VAL  17          2HG1      VAL  17   1.143  -4.212   0.836
  108   3HG1  VAL  17          3HG1      VAL  17   2.823  -3.968   0.305
  109   1HG2  VAL  17          1HG2      VAL  17   2.544  -1.036   1.945
  110   2HG2  VAL  17          2HG2      VAL  17   1.248  -0.178   1.078
  111   3HG2  VAL  17          3HG2      VAL  17   0.842  -1.472   2.232
  112    H    LYS  18           H        LYS  18   3.881  -3.914  -1.305
  113    HA   LYS  18           HA       LYS  18   6.021  -3.616   0.493
  114   2HB   LYS  18          2HB       LYS  18   5.093  -5.538  -1.498
  115   2HG   LYS  18          2HG       LYS  18   7.555  -6.541  -1.464
  116   2HD   LYS  18          2HD       LYS  18   7.980  -4.870  -3.574
  117   2HE   LYS  18          2HE       LYS  18   5.789  -7.001  -3.488
  118   1HZ   LYS  18          1HZ       LYS  18   7.558  -6.273  -5.705
  119   2HZ   LYS  18          2HZ       LYS  18   6.208  -7.191  -5.751
  120   3HZ   LYS  18          3HZ       LYS  18   6.091  -5.580  -5.512
  121    H    LYS  19           H        LYS  19   5.496  -2.705  -2.929
  122    HA   LYS  19           HA       LYS  19   8.192  -2.088  -3.456
  123   2HB   LYS  19          2HB       LYS  19   5.616  -1.927  -4.803
  124   2HG   LYS  19          2HG       LYS  19   6.561  -0.134  -6.427
  125   2HD   LYS  19          2HD       LYS  19   5.924   1.695  -4.445
  126   2HE   LYS  19          2HE       LYS  19   4.062  -0.097  -6.075
  127   1HZ   LYS  19          1HZ       LYS  19   3.433   1.677  -4.084
  128   2HZ   LYS  19          2HZ       LYS  19   3.111   2.466  -5.478
  129   3HZ   LYS  19          3HZ       LYS  19   2.412   1.021  -5.176
  130    H    LEU  20           H        LEU  20   5.776  -0.596  -1.485
  131    HA   LEU  20           HA       LEU  20   7.083   2.004  -1.687
  132   2HB   LEU  20          2HB       LEU  20   4.454   1.302  -1.534
  133    HG   LEU  20           HG       LEU  20   4.779   0.785   0.953
  134   1HD1  LEU  20          1HD1      LEU  20   4.502   3.441   1.912
  135   2HD1  LEU  20          2HD1      LEU  20   5.797   2.267   2.247
  136   3HD1  LEU  20          3HD1      LEU  20   5.949   3.394   0.877
  137   1HD2  LEU  20          1HD2      LEU  20   2.603   1.274   1.285
  138   2HD2  LEU  20          2HD2      LEU  20   2.792   2.974   0.795
  139   3HD2  LEU  20          3HD2      LEU  20   2.654   1.702  -0.442
  140    H    PHE  21           H        PHE  21   7.150  -0.934   0.115
  141    HA   PHE  21           HA       PHE  21   7.701   0.060   2.664
  142   2HB   PHE  21          2HB       PHE  21   9.157  -2.384   1.775
  143    HD1  PHE  21           1HD      PHE  21   5.804  -1.619   3.248
  144    HD2  PHE  21           2HD      PHE  21   9.623  -3.390   3.787
  145    HE1  PHE  21           1HE      PHE  21   5.118  -2.402   5.532
  146    HE2  PHE  21           2HE      PHE  21   8.937  -4.172   6.071
  147    HZ   PHE  21           HZ       PHE  21   6.693  -3.669   6.917
  148    H    LYS  22           H        LYS  22   9.562   0.099  -0.282
  149    HA   LYS  22           HA       LYS  22  12.132  -0.009   0.876
  150   2HB   LYS  22          2HB       LYS  22  12.214  -0.480  -1.357
  151   2HG   LYS  22          2HG       LYS  22   9.926  -0.008  -1.988
  152   2HD   LYS  22          2HD       LYS  22   9.655   2.068  -0.598
  153   2HE   LYS  22          2HE       LYS  22  11.536   3.435  -0.989
  154   1HZ   LYS  22          1HZ       LYS  22  11.109   2.862  -3.835
  155   2HZ   LYS  22          2HZ       LYS  22  12.165   3.986  -3.301
  156   3HZ   LYS  22          3HZ       LYS  22  12.382   2.415  -2.915
  157    H    LYS  23           H        LYS  23   9.637   2.200   1.300
  158    HA   LYS  23           HA       LYS  23  11.576   4.345   1.829
  159   2HB   LYS  23          2HB       LYS  23   9.990   4.809  -0.051
  160   2HG   LYS  23          2HG       LYS  23   8.065   3.941   1.978
  161   2HD   LYS  23          2HD       LYS  23   8.110   6.799   1.338
  162   2HE   LYS  23          2HE       LYS  23   6.100   5.166  -0.037
  163   1HZ   LYS  23          1HZ       LYS  23   4.726   5.563   1.801
  164   2HZ   LYS  23          2HZ       LYS  23   5.214   7.113   1.969
  165   3HZ   LYS  23          3HZ       LYS  23   4.293   6.681   0.692
  166    H    TRP  24           H        TRP  24   8.961   2.262   2.969
  167    HA   TRP  24           HA       TRP  24   8.665   3.765   5.421
  168   2HB   TRP  24          2HB       TRP  24   7.192   1.686   5.941
  169    HD1  TRP  24           HD       TRP  24   7.281   4.991   4.392
  170    HE1  TRP  24           1HE      TRP  24   4.903   6.037   3.924
  171    HE3  TRP  24           3HE      TRP  24   4.682   0.658   4.966
  172    HZ2  TRP  24           2HZ      TRP  24   2.262   4.958   3.848
  173    HZ3  TRP  24           3HZ      TRP  24   2.207   0.742   4.677
  174    HH2  TRP  24           HH       TRP  24   0.997   2.796   4.138
  175    H    GLY  25           H        GLY  25   9.161   2.789   7.541
  176   1HA   GLY  25          1HA       GLY  25  10.800   0.414   7.622
  177   2HA   GLY  25          2HA       GLY  25  11.692   1.899   7.889
  178    H    TRP  26           H        TRP  26  10.888   3.412   9.634
  179    HA   TRP  26           HA       TRP  26  10.515   2.019  12.018
  180   2HB   TRP  26          2HB       TRP  26  11.489   4.358  11.567
  181    HD1  TRP  26           HD       TRP  26   8.446   4.592   9.963
  182    HE1  TRP  26           1HE      TRP  26   7.202   6.918  10.023
  183    HE3  TRP  26           3HE      TRP  26  10.992   6.444  13.956
  184    HZ2  TRP  26           2HZ      TRP  26   7.416   9.220  11.696
  185    HZ3  TRP  26           3HZ      TRP  26  10.412   8.738  14.739
  186    HH2  TRP  26           HH       TRP  26   8.694  10.114  13.678
  Start of MODEL   17
    1   1H    LYS   1           H        LYS   1  -3.329  14.372   5.853
    2    HA   LYS   1           HA       LYS   1  -3.138  15.050   3.089
    3   2HB   LYS   1          2HB       LYS   1  -0.610  14.149   3.213
    4   2HG   LYS   1          2HG       LYS   1  -1.396  17.060   3.701
    5   2HD   LYS   1          2HD       LYS   1   0.645  16.967   1.822
    6   2HE   LYS   1          2HE       LYS   1   2.132  17.683   3.742
    7   1HZ   LYS   1          1HZ       LYS   1  -0.563  18.841   3.871
    8   2HZ   LYS   1          2HZ       LYS   1   0.843  19.581   4.251
    9   3HZ   LYS   1          3HZ       LYS   1   0.519  19.192   2.698
   10    H    SER   2           H        SER   2  -1.680  12.688   5.443
   11    HA   SER   2           HA       SER   2  -1.859  10.494   3.923
   12   2HB   SER   2          2HB       SER   2  -2.364   9.318   6.254
   13    HG   SER   2           HG       SER   2  -0.052  10.941   5.644
   14    H    SER   3           H        SER   3  -3.493   9.317   2.977
   15    HA   SER   3           HA       SER   3  -6.167  10.140   3.493
   16   2HB   SER   3          2HB       SER   3  -4.956   8.042   1.643
   17    HG   SER   3           HG       SER   3  -6.938   7.486   1.017
   18    H    ALA   4           H        ALA   4  -4.587   6.855   3.388
   19    HA   ALA   4           HA       ALA   4  -5.479   6.140   5.959
   20   1HB   ALA   4          1HB       ALA   4  -7.239   4.559   5.377
   21   2HB   ALA   4          2HB       ALA   4  -7.683   6.174   4.775
   22   3HB   ALA   4          3HB       ALA   4  -7.060   4.945   3.648
   23    H    TYR   5           H        TYR   5  -5.071   4.666   2.654
   24    HA   TYR   5           HA       TYR   5  -3.836   2.937   1.985
   25   2HB   TYR   5          2HB       TYR   5  -1.396   3.211   2.766
   26    HD1  TYR   5           1HD      TYR   5  -1.572   3.813   0.330
   27    HD2  TYR   5           2HD      TYR   5  -2.417   6.630   3.438
   28    HE1  TYR   5           1HE      TYR   5  -1.332   5.725  -1.328
   29    HE2  TYR   5           2HE      TYR   5  -2.172   8.532   1.770
   30    HH   TYR   5           HH       TYR   5  -0.889   8.010  -1.384
   31    H    SER   6           H        SER   6  -5.305   1.422   3.188
   32    HA   SER   6           HA       SER   6  -3.720  -0.340   4.692
   33   2HB   SER   6          2HB       SER   6  -4.891  -0.279   6.821
   34    HG   SER   6           HG       SER   6  -4.420   2.491   6.150
   35    H    LEU   7           H        LEU   7  -7.005   0.816   3.759
   36    HA   LEU   7           HA       LEU   7  -8.353  -1.589   4.025
   37   2HB   LEU   7          2HB       LEU   7  -8.967   0.966   3.309
   38    HG   LEU   7           HG       LEU   7  -9.345  -0.774   0.866
   39   1HD1  LEU   7          1HD1      LEU   7 -11.061   0.588   0.059
   40   2HD1  LEU   7          2HD1      LEU   7 -11.496   0.312   1.763
   41   3HD1  LEU   7          3HD1      LEU   7 -10.759   1.855   1.272
   42   1HD2  LEU   7          1HD2      LEU   7  -7.831   0.528  -0.101
   43   2HD2  LEU   7          2HD2      LEU   7  -8.703   2.000   0.389
   44   3HD2  LEU   7          3HD2      LEU   7  -7.516   1.262   1.490
   45    H    GLN   8           H        GLN   8  -7.590  -3.498   3.249
   46    HA   GLN   8           HA       GLN   8  -6.747  -3.455   0.455
   47   2HB   GLN   8          2HB       GLN   8  -5.657  -5.780   1.504
   48   2HG   GLN   8          2HG       GLN   8  -4.383  -3.003   1.435
   49   1HE2  GLN   8          1HE2      GLN   8  -2.145  -3.001   1.252
   50   2HE2  GLN   8          2HE2      GLN   8  -1.155  -4.324   1.769
   51    H    MET   9           H        MET   9  -8.022  -4.609  -0.935
   52    HA   MET   9           HA       MET   9  -9.336  -6.960   0.062
   53   2HB   MET   9          2HB       MET   9 -11.503  -5.920  -1.181
   54   2HG   MET   9          2HG       MET   9 -11.360  -4.586   1.413
   55   1HE   MET   9          1HE       MET   9 -13.735  -7.591   2.747
   56   2HE   MET   9          2HE       MET   9 -12.604  -8.477   1.698
   57   3HE   MET   9          3HE       MET   9 -11.990  -7.255   2.836
   58    H    GLY  10           H        GLY  10  -8.858  -4.625  -2.658
   59   1HA   GLY  10          1HA       GLY  10  -9.616  -6.231  -4.777
   60   2HA   GLY  10          2HA       GLY  10  -8.412  -4.958  -4.835
   61    H    ALA  11           H        ALA  11  -6.224  -5.470  -4.988
   62    HA   ALA  11           HA       ALA  11  -5.038  -7.784  -4.079
   63   1HB   ALA  11          1HB       ALA  11  -6.589  -8.169  -6.518
   64   2HB   ALA  11          2HB       ALA  11  -4.863  -8.502  -6.794
   65   3HB   ALA  11          3HB       ALA  11  -5.743  -9.369  -5.512
   66    H    THR  12           H        THR  12  -4.832  -6.367  -7.407
   67    HA   THR  12           HA       THR  12  -2.178  -6.011  -7.556
   68    HB   THR  12           HB       THR  12  -2.734  -4.175  -9.156
   69    HG1  THR  12           1HG      THR  12  -5.144  -3.644  -9.077
   70   1HG2  THR  12          1HG2      THR  12  -4.037  -6.775  -9.142
   71   2HG2  THR  12          2HG2      THR  12  -5.165  -5.560  -9.786
   72   3HG2  THR  12          3HG2      THR  12  -3.571  -5.783 -10.544
   73    H    ALA  13           H        ALA  13  -4.434  -3.573  -6.100
   74    HA   ALA  13           HA       ALA  13  -2.735  -1.626  -5.438
   75   1HB   ALA  13          1HB       ALA  13  -5.226  -2.728  -4.392
   76   2HB   ALA  13          2HB       ALA  13  -4.246  -1.995  -3.099
   77   3HB   ALA  13          3HB       ALA  13  -4.704  -1.032  -4.524
   78    H    ILE  14           H        ILE  14  -2.967  -4.857  -3.888
   79    HA   ILE  14           HA       ILE  14  -1.537  -4.541  -1.639
   80    HB   ILE  14           HB       ILE  14  -1.399  -6.769  -3.670
   81   2HG1  ILE  14          2HG1      ILE  14  -3.622  -6.099  -2.574
   82   1HG2  ILE  14          1HG2      ILE  14   0.576  -6.686  -2.096
   83   2HG2  ILE  14          2HG2      ILE  14  -0.577  -6.946  -0.766
   84   3HG2  ILE  14          3HG2      ILE  14  -0.401  -8.173  -2.043
   85   1HD1  ILE  14          1HD1      ILE  14  -2.557  -8.917  -2.078
   86   2HD1  ILE  14          2HD1      ILE  14  -4.265  -8.445  -2.250
   87   3HD1  ILE  14          3HD1      ILE  14  -3.163  -8.326  -3.643
   88    H    LYS  15           H        LYS  15  -0.031  -5.263  -4.873
   89    HA   LYS  15           HA       LYS  15   2.578  -4.966  -4.059
   90   2HB   LYS  15          2HB       LYS  15   3.128  -4.887  -6.352
   91   2HG   LYS  15          2HG       LYS  15   1.359  -6.774  -5.400
   92   2HD   LYS  15          2HD       LYS  15  -0.043  -5.144  -7.434
   93   2HE   LYS  15          2HE       LYS  15   0.865  -7.231  -8.720
   94   1HZ   LYS  15          1HZ       LYS  15   0.333  -8.760  -6.900
   95   2HZ   LYS  15          2HZ       LYS  15  -1.261  -8.490  -7.132
   96   3HZ   LYS  15          3HZ       LYS  15  -0.373  -9.194  -8.307
   97    H    GLN  16           H        GLN  16   0.154  -2.498  -5.019
   98    HA   GLN  16           HA       GLN  16   1.869  -0.376  -5.254
   99   2HB   GLN  16          2HB       GLN  16  -0.900  -0.794  -5.326
  100   2HG   GLN  16          2HG       GLN  16  -0.219   1.357  -3.265
  101   1HE2  GLN  16          1HE2      GLN  16  -2.188   2.167  -2.236
  102   2HE2  GLN  16          2HE2      GLN  16  -3.608   2.429  -3.195
  103    H    VAL  17           H        VAL  17   0.354  -1.853  -2.347
  104    HA   VAL  17           HA       VAL  17   0.991   0.129  -0.519
  105    HB   VAL  17           HB       VAL  17  -0.455  -2.005  -0.353
  106   1HG1  VAL  17          1HG1      VAL  17   2.030  -3.248  -0.559
  107   2HG1  VAL  17          2HG1      VAL  17   1.623  -3.375   1.169
  108   3HG1  VAL  17          3HG1      VAL  17   0.500  -4.007  -0.059
  109   1HG2  VAL  17          1HG2      VAL  17  -0.242  -0.348   1.435
  110   2HG2  VAL  17          2HG2      VAL  17  -0.265  -1.997   2.105
  111   3HG2  VAL  17          3HG2      VAL  17   1.273  -1.109   1.980
  112    H    LYS  18           H        LYS  18   2.967  -2.417  -2.041
  113    HA   LYS  18           HA       LYS  18   5.115  -2.261  -0.234
  114   2HB   LYS  18          2HB       LYS  18   4.470  -3.588  -2.744
  115   2HG   LYS  18          2HG       LYS  18   7.072  -3.936  -3.107
  116   2HD   LYS  18          2HD       LYS  18   6.946  -1.611  -4.510
  117   2HE   LYS  18          2HE       LYS  18   5.311  -4.132  -5.070
  118   1HZ   LYS  18          1HZ       LYS  18   5.193  -3.405  -7.220
  119   2HZ   LYS  18          2HZ       LYS  18   4.948  -2.005  -6.416
  120   3HZ   LYS  18          3HZ       LYS  18   6.408  -2.324  -7.074
  121    H    LYS  19           H        LYS  19   4.127  -0.366  -3.094
  122    HA   LYS  19           HA       LYS  19   6.599   0.959  -3.402
  123   2HB   LYS  19          2HB       LYS  19   3.939   1.002  -4.588
  124   2HG   LYS  19          2HG       LYS  19   4.402   3.409  -5.489
  125   2HD   LYS  19          2HD       LYS  19   3.485   4.250  -3.015
  126   2HE   LYS  19          2HE       LYS  19   1.175   3.454  -3.955
  127   1HZ   LYS  19          1HZ       LYS  19   1.678   4.975  -5.987
  128   2HZ   LYS  19          2HZ       LYS  19   1.619   5.592  -4.476
  129   3HZ   LYS  19          3HZ       LYS  19   3.062   5.281  -5.175
  130    H    LEU  20           H        LEU  20   4.066   1.143  -1.042
  131    HA   LEU  20           HA       LEU  20   4.722   3.883  -0.345
  132   2HB   LEU  20          2HB       LEU  20   2.406   2.446  -0.283
  133    HG   LEU  20           HG       LEU  20   3.195   1.257   1.819
  134   1HD1  LEU  20          1HD1      LEU  20   3.723   3.977   2.613
  135   2HD1  LEU  20          2HD1      LEU  20   2.571   3.218   3.737
  136   3HD1  LEU  20          3HD1      LEU  20   4.147   2.453   3.427
  137   1HD2  LEU  20          1HD2      LEU  20   0.863   2.636   2.834
  138   2HD2  LEU  20          2HD2      LEU  20   0.698   2.302   1.093
  139   3HD2  LEU  20          3HD2      LEU  20   1.031   0.971   2.228
  140    H    PHE  21           H        PHE  21   5.762   0.654   0.319
  141    HA   PHE  21           HA       PHE  21   6.515   1.029   3.015
  142   2HB   PHE  21          2HB       PHE  21   8.173  -0.830   1.443
  143    HD1  PHE  21           1HD      PHE  21   8.907  -1.781   3.473
  144    HD2  PHE  21           2HD      PHE  21   4.747  -1.503   2.677
  145    HE1  PHE  21           1HE      PHE  21   8.430  -3.250   5.452
  146    HE2  PHE  21           2HE      PHE  21   4.271  -2.971   4.655
  147    HZ   PHE  21           HZ       PHE  21   6.117  -3.828   6.020
  148    H    LYS  22           H        LYS  22   7.780   2.210   0.010
  149    HA   LYS  22           HA       LYS  22  10.469   2.179   0.303
  150   2HB   LYS  22          2HB       LYS  22   8.918   3.211  -1.517
  151   2HG   LYS  22          2HG       LYS  22   9.152   5.796  -1.330
  152   2HD   LYS  22          2HD       LYS  22   7.184   4.045   0.142
  153   2HE   LYS  22          2HE       LYS  22   7.692   6.906   0.715
  154   1HZ   LYS  22          1HZ       LYS  22   5.016   6.815   0.839
  155   2HZ   LYS  22          2HZ       LYS  22   5.872   7.616  -0.299
  156   3HZ   LYS  22          3HZ       LYS  22   5.303   6.117  -0.609
  157    H    LYS  23           H        LYS  23   8.095   4.284   2.000
  158    HA   LYS  23           HA       LYS  23  10.211   5.677   3.367
  159   2HB   LYS  23          2HB       LYS  23   8.114   6.795   2.648
  160   2HG   LYS  23          2HG       LYS  23   6.774   5.367   4.973
  161   2HD   LYS  23          2HD       LYS  23   5.113   6.235   2.732
  162   2HE   LYS  23          2HE       LYS  23   4.343   5.818   5.089
  163   1HZ   LYS  23          1HZ       LYS  23   5.991   8.191   5.591
  164   2HZ   LYS  23          2HZ       LYS  23   4.811   7.705   6.610
  165   3HZ   LYS  23          3HZ       LYS  23   6.092   6.734   6.322
  166    H    TRP  24           H        TRP  24   7.635   3.257   4.157
  167    HA   TRP  24           HA       TRP  24   8.163   3.022   6.849
  168   2HB   TRP  24          2HB       TRP  24   7.230   0.708   6.579
  169    HD1  TRP  24           HD       TRP  24   6.271   4.174   6.472
  170    HE1  TRP  24           1HE      TRP  24   3.670   4.621   6.488
  171    HE3  TRP  24           3HE      TRP  24   4.920  -0.561   5.200
  172    HZ2  TRP  24           2HZ      TRP  24   1.391   2.981   5.976
  173    HZ3  TRP  24           3HZ      TRP  24   2.487  -1.054   4.979
  174    HH2  TRP  24           HH       TRP  24   0.749   0.625   5.344
  175    H    GLY  25           H        GLY  25   9.385   1.291   8.012
  176   1HA   GLY  25          1HA       GLY  25  11.266  -0.370   6.792
  177   2HA   GLY  25          2HA       GLY  25  12.065   1.150   7.144
  178    H    TRP  26           H        TRP  26  10.709  -1.804   8.468
  179    HA   TRP  26           HA       TRP  26  10.309  -1.255  11.089
  180   2HB   TRP  26          2HB       TRP  26  11.274  -3.603  11.464
  181    HD1  TRP  26           HD       TRP  26   8.341  -2.051  11.223
  182    HE1  TRP  26           1HE      TRP  26   6.189  -3.402  10.513
  183    HE3  TRP  26           3HE      TRP  26  10.838  -5.887   9.005
  184    HZ2  TRP  26           2HZ      TRP  26   5.780  -5.868   9.135
  185    HZ3  TRP  26           3HZ      TRP  26   9.486  -7.725   8.003
  186    HH2  TRP  26           HH       TRP  26   7.043  -7.757   8.042
  Start of MODEL   18
    1   1H    LYS   1           H        LYS   1  -1.764  14.656  -1.378
    2    HA   LYS   1           HA       LYS   1  -0.780  12.145  -1.030
    3   2HB   LYS   1          2HB       LYS   1  -1.745  12.500   1.388
    4   2HG   LYS   1          2HG       LYS   1   0.437  13.817  -0.135
    5   2HD   LYS   1          2HD       LYS   1   0.308  14.880   2.613
    6   2HE   LYS   1          2HE       LYS   1   0.888  17.004   1.361
    7   1HZ   LYS   1          1HZ       LYS   1   2.568  15.341   1.990
    8   2HZ   LYS   1          2HZ       LYS   1   2.469  14.687   0.497
    9   3HZ   LYS   1          3HZ       LYS   1   2.994  16.222   0.682
   10    H    SER   2           H        SER   2  -2.029  10.779  -2.506
   11    HA   SER   2           HA       SER   2  -4.759  10.326  -1.867
   12   2HB   SER   2          2HB       SER   2  -4.317   8.332  -3.541
   13    HG   SER   2           HG       SER   2  -3.724  10.667  -4.948
   14    H    SER   3           H        SER   3  -4.509   9.739   0.440
   15    HA   SER   3           HA       SER   3  -3.220   7.168   0.830
   16   2HB   SER   3          2HB       SER   3  -4.286   8.389   3.257
   17    HG   SER   3           HG       SER   3  -2.205   6.961   2.584
   18    H    ALA   4           H        ALA   4  -4.394   5.333   1.499
   19    HA   ALA   4           HA       ALA   4  -7.307   5.702   1.518
   20   1HB   ALA   4          1HB       ALA   4  -7.272   4.064  -0.019
   21   2HB   ALA   4          2HB       ALA   4  -5.511   3.878   0.166
   22   3HB   ALA   4          3HB       ALA   4  -6.618   2.966   1.220
   23    H    TYR   5           H        TYR   5  -8.543   4.304   3.034
   24    HA   TYR   5           HA       TYR   5  -6.937   3.636   5.407
   25   2HB   TYR   5          2HB       TYR   5  -9.421   4.284   6.378
   26    HD1  TYR   5           1HD      TYR   5  -7.113   6.577   4.488
   27    HD2  TYR   5           2HD      TYR   5  -8.810   5.481   8.259
   28    HE1  TYR   5           1HE      TYR   5  -5.833   8.461   5.619
   29    HE2  TYR   5           2HE      TYR   5  -7.524   7.367   9.378
   30    HH   TYR   5           HH       TYR   5  -5.632   8.698   9.044
   31    H    SER   6           H        SER   6  -6.853   1.408   4.651
   32    HA   SER   6           HA       SER   6  -8.891  -0.123   5.704
   33   2HB   SER   6          2HB       SER   6  -8.880  -0.324   2.672
   34    HG   SER   6           HG       SER   6 -11.081  -1.185   3.227
   35    H    LEU   7           H        LEU   7  -8.561  -2.578   4.908
   36    HA   LEU   7           HA       LEU   7  -5.710  -2.994   5.007
   37   2HB   LEU   7          2HB       LEU   7  -6.283  -5.305   5.407
   38    HG   LEU   7           HG       LEU   7  -8.160  -3.495   6.954
   39   1HD1  LEU   7          1HD1      LEU   7  -7.458  -5.654   8.564
   40   2HD1  LEU   7          2HD1      LEU   7  -9.032  -5.366   7.781
   41   3HD1  LEU   7          3HD1      LEU   7  -7.809  -6.382   6.978
   42   1HD2  LEU   7          1HD2      LEU   7  -5.282  -3.849   7.012
   43   2HD2  LEU   7          2HD2      LEU   7  -6.307  -2.661   7.853
   44   3HD2  LEU   7          3HD2      LEU   7  -6.022  -4.262   8.577
   45    H    GLN   8           H        GLN   8  -8.414  -4.268   2.932
   46    HA   GLN   8           HA       GLN   8  -6.853  -3.735   0.617
   47   2HB   GLN   8          2HB       GLN   8  -5.845  -5.882   1.369
   48   2HG   GLN   8          2HG       GLN   8  -8.654  -7.007   0.942
   49   1HE2  GLN   8          1HE2      GLN   8  -8.018  -8.655  -0.373
   50   2HE2  GLN   8          2HE2      GLN   8  -6.958  -9.937   0.108
   51    H    MET   9           H        MET   9  -8.112  -4.152  -1.402
   52    HA   MET   9           HA       MET   9 -10.818  -4.978  -1.070
   53   2HB   MET   9          2HB       MET   9 -11.506  -2.643  -2.198
   54   2HG   MET   9          2HG       MET   9 -10.859  -2.174   0.672
   55   1HE   MET   9          1HE       MET   9 -14.570  -2.759   1.252
   56   2HE   MET   9          2HE       MET   9 -15.057  -2.966  -0.448
   57   3HE   MET   9          3HE       MET   9 -13.747  -3.963   0.231
   58    H    GLY  10           H        GLY  10  -8.523  -3.118  -3.186
   59   1HA   GLY  10          1HA       GLY  10  -9.721  -4.088  -5.603
   60   2HA   GLY  10          2HA       GLY  10  -8.249  -3.154  -5.436
   61    H    ALA  11           H        ALA  11  -6.218  -4.185  -5.347
   62    HA   ALA  11           HA       ALA  11  -5.704  -6.776  -4.681
   63   1HB   ALA  11          1HB       ALA  11  -5.530  -7.183  -7.508
   64   2HB   ALA  11          2HB       ALA  11  -6.512  -8.077  -6.321
   65   3HB   ALA  11          3HB       ALA  11  -7.188  -6.647  -7.138
   66    H    THR  12           H        THR  12  -5.114  -4.329  -7.285
   67    HA   THR  12           HA       THR  12  -2.335  -4.879  -7.434
   68    HB   THR  12           HB       THR  12  -4.044  -2.485  -8.290
   69    HG1  THR  12           1HG      THR  12  -4.202  -3.773 -10.179
   70   1HG2  THR  12          1HG2      THR  12  -2.230  -2.119  -9.963
   71   2HG2  THR  12          2HG2      THR  12  -1.594  -1.940  -8.309
   72   3HG2  THR  12          3HG2      THR  12  -1.283  -3.434  -9.226
   73    H    ALA  13           H        ALA  13  -4.257  -2.301  -5.774
   74    HA   ALA  13           HA       ALA  13  -2.276  -0.779  -4.777
   75   1HB   ALA  13          1HB       ALA  13  -4.281   0.036  -4.082
   76   2HB   ALA  13          2HB       ALA  13  -4.999  -1.585  -3.929
   77   3HB   ALA  13          3HB       ALA  13  -3.972  -0.939  -2.626
   78    H    ILE  14           H        ILE  14  -3.390  -3.975  -3.507
   79    HA   ILE  14           HA       ILE  14  -2.029  -4.158  -1.202
   80    HB   ILE  14           HB       ILE  14  -2.400  -6.234  -3.358
   81   2HG1  ILE  14          2HG1      ILE  14  -4.398  -5.054  -2.234
   82   1HG2  ILE  14          1HG2      ILE  14  -1.824  -7.938  -1.836
   83   2HG2  ILE  14          2HG2      ILE  14  -0.519  -6.733  -1.722
   84   3HG2  ILE  14          3HG2      ILE  14  -1.772  -6.808  -0.460
   85   1HD1  ILE  14          1HD1      ILE  14  -4.568  -7.980  -1.641
   86   2HD1  ILE  14          2HD1      ILE  14  -5.642  -6.952  -2.621
   87   3HD1  ILE  14          3HD1      ILE  14  -4.107  -7.542  -3.303
   88    H    LYS  15           H        LYS  15  -0.657  -4.598  -4.517
   89    HA   LYS  15           HA       LYS  15   1.916  -5.259  -3.650
   90   2HB   LYS  15          2HB       LYS  15   0.691  -5.356  -6.005
   91   2HG   LYS  15          2HG       LYS  15   0.764  -2.771  -6.120
   92   2HD   LYS  15          2HD       LYS  15   3.644  -3.441  -5.944
   93   2HE   LYS  15          2HE       LYS  15   3.832  -1.221  -7.567
   94   1HZ   LYS  15          1HZ       LYS  15   4.957  -3.510  -7.578
   95   2HZ   LYS  15          2HZ       LYS  15   3.895  -3.872  -8.765
   96   3HZ   LYS  15          3HZ       LYS  15   4.939  -2.631  -8.954
   97    H    GLN  16           H        GLN  16   0.343  -2.103  -4.430
   98    HA   GLN  16           HA       GLN  16   2.562  -0.535  -4.261
   99   2HB   GLN  16          2HB       GLN  16   0.682   1.143  -3.247
  100   2HG   GLN  16          2HG       GLN  16   0.479   0.067  -6.091
  101   1HE2  GLN  16          1HE2      GLN  16   1.396   2.884  -6.697
  102   2HE2  GLN  16          2HE2      GLN  16  -0.015   3.875  -6.541
  103    H    VAL  17           H        VAL  17   1.013  -2.385  -1.766
  104    HA   VAL  17           HA       VAL  17   1.382  -0.900   0.493
  105    HB   VAL  17           HB       VAL  17   1.710  -3.858  -0.019
  106   1HG1  VAL  17          1HG1      VAL  17   2.741  -3.820   2.013
  107   2HG1  VAL  17          2HG1      VAL  17   1.992  -2.277   2.492
  108   3HG1  VAL  17          3HG1      VAL  17   1.054  -3.788   2.584
  109   1HG2  VAL  17          1HG2      VAL  17  -0.541  -4.088   0.443
  110   2HG2  VAL  17          2HG2      VAL  17  -0.610  -2.592   1.405
  111   3HG2  VAL  17          3HG2      VAL  17  -0.524  -2.504  -0.371
  112    H    LYS  18           H        LYS  18   3.790  -3.012  -1.206
  113    HA   LYS  18           HA       LYS  18   5.862  -2.440   0.611
  114   2HB   LYS  18          2HB       LYS  18   5.902  -4.443  -0.727
  115   2HG   LYS  18          2HG       LYS  18   4.782  -3.141  -2.757
  116   2HD   LYS  18          2HD       LYS  18   6.830  -1.631  -3.014
  117   2HE   LYS  18          2HE       LYS  18   8.033  -4.251  -4.028
  118   1HZ   LYS  18          1HZ       LYS  18   9.663  -1.938  -3.956
  119   2HZ   LYS  18          2HZ       LYS  18   9.457  -3.023  -5.159
  120   3HZ   LYS  18          3HZ       LYS  18   8.423  -1.768  -5.006
  121    H    LYS  19           H        LYS  19   4.511  -0.776  -2.209
  122    HA   LYS  19           HA       LYS  19   6.734   0.851  -2.748
  123   2HB   LYS  19          2HB       LYS  19   3.897   0.688  -3.536
  124   2HG   LYS  19          2HG       LYS  19   4.211   3.025  -4.658
  125   2HD   LYS  19          2HD       LYS  19   3.678   4.041  -2.137
  126   2HE   LYS  19          2HE       LYS  19   1.917   2.478  -4.073
  127   1HZ   LYS  19          1HZ       LYS  19   1.057   2.564  -1.754
  128   2HZ   LYS  19          2HZ       LYS  19   0.996   4.191  -1.880
  129   3HZ   LYS  19          3HZ       LYS  19   0.090   3.261  -2.871
  130    H    LEU  20           H        LEU  20   4.363   0.802  -0.175
  131    HA   LEU  20           HA       LEU  20   4.915   3.569   0.517
  132   2HB   LEU  20          2HB       LEU  20   2.656   2.111   0.638
  133    HG   LEU  20           HG       LEU  20   3.603   0.757   2.590
  134   1HD1  LEU  20          1HD1      LEU  20   4.526   1.838   4.291
  135   2HD1  LEU  20          2HD1      LEU  20   4.046   3.409   3.606
  136   3HD1  LEU  20          3HD1      LEU  20   2.934   2.530   4.682
  137   1HD2  LEU  20          1HD2      LEU  20   1.312   1.651   3.921
  138   2HD2  LEU  20          2HD2      LEU  20   1.005   1.979   2.199
  139   3HD2  LEU  20          3HD2      LEU  20   1.426   0.333   2.730
  140    H    PHE  21           H        PHE  21   6.128   0.383   1.084
  141    HA   PHE  21           HA       PHE  21   7.087   0.931   3.730
  142   2HB   PHE  21          2HB       PHE  21   8.496  -1.242   2.603
  143    HD1  PHE  21           1HD      PHE  21   8.453  -1.655   5.024
  144    HD2  PHE  21           2HD      PHE  21   4.905  -1.831   2.702
  145    HE1  PHE  21           1HE      PHE  21   7.293  -2.869   6.889
  146    HE2  PHE  21           2HE      PHE  21   3.745  -3.046   4.567
  147    HZ   PHE  21           HZ       PHE  21   4.953  -3.551   6.638
  148    H    LYS  22           H        LYS  22   8.109   1.600   0.466
  149    HA   LYS  22           HA       LYS  22  10.818   1.408   0.564
  150   2HB   LYS  22          2HB       LYS  22   9.109   2.268  -1.264
  151   2HG   LYS  22          2HG       LYS  22   9.479   4.717  -1.659
  152   2HD   LYS  22          2HD       LYS  22   8.360   4.960   1.028
  153   2HE   LYS  22          2HE       LYS  22   6.237   5.294  -0.376
  154   1HZ   LYS  22          1HZ       LYS  22   8.174   6.965   0.081
  155   2HZ   LYS  22          2HZ       LYS  22   8.326   6.917  -1.544
  156   3HZ   LYS  22          3HZ       LYS  22   6.909   7.371  -0.869
  157    H    LYS  23           H        LYS  23   8.704   3.525   2.411
  158    HA   LYS  23           HA       LYS  23  10.999   5.133   3.236
  159   2HB   LYS  23          2HB       LYS  23   9.127   6.450   2.575
  160   2HG   LYS  23          2HG       LYS  23   7.600   4.290   3.823
  161   2HD   LYS  23          2HD       LYS  23   7.519   6.215   5.609
  162   2HE   LYS  23          2HE       LYS  23   5.288   7.562   4.566
  163   1HZ   LYS  23          1HZ       LYS  23   7.709   8.962   4.198
  164   2HZ   LYS  23          2HZ       LYS  23   6.521   9.223   5.288
  165   3HZ   LYS  23          3HZ       LYS  23   7.716   8.162   5.621
  166    H    TRP  24           H        TRP  24   8.644   2.691   4.334
  167    HA   TRP  24           HA       TRP  24   9.203   2.923   7.079
  168   2HB   TRP  24          2HB       TRP  24   8.223   0.616   7.168
  169    HD1  TRP  24           HD       TRP  24   7.246   4.031   5.934
  170    HE1  TRP  24           1HE      TRP  24   4.679   4.538   6.273
  171    HE3  TRP  24           3HE      TRP  24   5.914  -0.745   7.063
  172    HZ2  TRP  24           2HZ      TRP  24   2.429   2.922   6.960
  173    HZ3  TRP  24           3HZ      TRP  24   3.512  -1.195   7.555
  174    HH2  TRP  24           HH       TRP  24   1.796   0.545   7.517
  175    H    GLY  25           H        GLY  25  11.350   2.876   7.711
  176   1HA   GLY  25          1HA       GLY  25  13.355   1.381   6.420
  177   2HA   GLY  25          2HA       GLY  25  13.446   2.117   8.007
  178    H    TRP  26           H        TRP  26  14.759  -0.233   7.794
  179    HA   TRP  26           HA       TRP  26  13.344  -1.886   9.628
  180   2HB   TRP  26          2HB       TRP  26  13.805  -2.950   6.836
  181    HD1  TRP  26           HD       TRP  26  14.507  -4.197  10.117
  182    HE1  TRP  26           1HE      TRP  26  14.045  -6.770  10.477
  183    HE3  TRP  26           3HE      TRP  26  11.573  -4.783   6.006
  184    HZ2  TRP  26           2HZ      TRP  26  12.539  -8.718   9.034
  185    HZ3  TRP  26           3HZ      TRP  26  10.646  -7.052   5.554
  186    HH2  TRP  26           HH       TRP  26  11.087  -8.981   6.989
  Start of MODEL   19
    1   1H    LYS   1           H        LYS   1  -5.822   3.421  11.453
    2    HA   LYS   1           HA       LYS   1  -3.644   1.674  11.604
    3   2HB   LYS   1          2HB       LYS   1  -5.239  -0.212  12.670
    4   2HG   LYS   1          2HG       LYS   1  -3.981   1.320  14.830
    5   2HD   LYS   1          2HD       LYS   1  -3.135  -1.234  13.382
    6   2HE   LYS   1          2HE       LYS   1  -2.620  -0.499  16.283
    7   1HZ   LYS   1          1HZ       LYS   1  -2.271  -2.752  15.556
    8   2HZ   LYS   1          2HZ       LYS   1  -1.279  -2.265  14.354
    9   3HZ   LYS   1          3HZ       LYS   1  -0.835  -2.059  15.912
   10    H    SER   2           H        SER   2  -3.630   1.143   9.489
   11    HA   SER   2           HA       SER   2  -4.329   0.669   7.481
   12   2HB   SER   2          2HB       SER   2  -5.747  -1.295   7.249
   13    HG   SER   2           HG       SER   2  -3.786  -1.882   8.210
   14    H    SER   3           H        SER   3  -5.126   2.702   6.753
   15    HA   SER   3           HA       SER   3  -8.018   2.789   6.634
   16   2HB   SER   3          2HB       SER   3  -6.601   5.399   7.085
   17    HG   SER   3           HG       SER   3  -8.570   5.969   7.970
   18    H    ALA   4           H        ALA   4  -7.929   2.235   4.404
   19    HA   ALA   4           HA       ALA   4  -6.127   3.562   2.641
   20   1HB   ALA   4          1HB       ALA   4  -6.756   1.902   1.245
   21   2HB   ALA   4          2HB       ALA   4  -7.662   1.239   2.626
   22   3HB   ALA   4          3HB       ALA   4  -8.483   2.282   1.440
   23    H    TYR   5           H        TYR   5  -6.882   4.875   0.739
   24    HA   TYR   5           HA       TYR   5  -9.109   6.609   1.572
   25   2HB   TYR   5          2HB       TYR   5  -7.748   8.297   0.170
   26    HD1  TYR   5           1HD      TYR   5  -7.670   9.707   2.056
   27    HD2  TYR   5           2HD      TYR   5  -5.379   6.094   2.036
   28    HE1  TYR   5           1HE      TYR   5  -6.509  10.422   4.202
   29    HE2  TYR   5           2HE      TYR   5  -4.225   6.822   4.182
   30    HH   TYR   5           HH       TYR   5  -4.335   8.236   5.890
   31    H    SER   6           H        SER   6  -7.824   4.443  -0.844
   32    HA   SER   6           HA       SER   6 -10.028   4.077  -2.225
   33   2HB   SER   6          2HB       SER   6  -9.283   5.686  -4.335
   34    HG   SER   6           HG       SER   6 -11.407   5.412  -2.905
   35    H    LEU   7           H        LEU   7  -6.543   4.647  -2.241
   36    HA   LEU   7           HA       LEU   7  -6.011   3.212  -4.634
   37   2HB   LEU   7          2HB       LEU   7  -4.517   4.578  -2.513
   38    HG   LEU   7           HG       LEU   7  -3.506   2.220  -2.494
   39   1HD1  LEU   7          1HD1      LEU   7  -3.629   1.589  -4.774
   40   2HD1  LEU   7          2HD1      LEU   7  -2.795   3.069  -5.306
   41   3HD1  LEU   7          3HD1      LEU   7  -1.903   1.820  -4.405
   42   1HD2  LEU   7          1HD2      LEU   7  -1.948   3.500  -1.545
   43   2HD2  LEU   7          2HD2      LEU   7  -1.144   3.513  -3.133
   44   3HD2  LEU   7          3HD2      LEU   7  -2.238   4.842  -2.679
   45    H    GLN   8           H        GLN   8  -6.243   2.421  -1.142
   46    HA   GLN   8           HA       GLN   8  -5.703  -0.346  -1.868
   47   2HB   GLN   8          2HB       GLN   8  -5.839  -0.139   0.950
   48   2HG   GLN   8          2HG       GLN   8  -4.131  -1.199  -0.915
   49   1HE2  GLN   8          1HE2      GLN   8  -2.633  -0.482  -2.206
   50   2HE2  GLN   8          2HE2      GLN   8  -1.489   0.781  -1.900
   51    H    MET   9           H        MET   9  -7.451  -1.669  -2.090
   52    HA   MET   9           HA       MET   9  -9.533  -1.584  -0.188
   53   2HB   MET   9          2HB       MET   9 -11.263  -1.245  -2.215
   54   2HG   MET   9          2HG       MET   9 -10.022   1.376  -1.511
   55   1HE   MET   9          1HE       MET   9 -11.398   1.660  -3.445
   56   2HE   MET   9          2HE       MET   9 -13.174   1.773  -3.481
   57   3HE   MET   9          3HE       MET   9 -12.220   3.012  -2.631
   58    H    GLY  10           H        GLY  10  -8.649  -2.542  -3.576
   59   1HA   GLY  10          1HA       GLY  10 -10.144  -4.738  -3.997
   60   2HA   GLY  10          2HA       GLY  10  -8.463  -4.611  -4.477
   61    H    ALA  11           H        ALA  11  -6.795  -5.601  -3.209
   62    HA   ALA  11           HA       ALA  11  -7.193  -6.710  -0.694
   63   1HB   ALA  11          1HB       ALA  11  -8.355  -8.244  -2.868
   64   2HB   ALA  11          2HB       ALA  11  -7.035  -9.156  -2.101
   65   3HB   ALA  11          3HB       ALA  11  -8.394  -8.562  -1.118
   66    H    THR  12           H        THR  12  -5.726  -7.577  -3.910
   67    HA   THR  12           HA       THR  12  -3.294  -8.451  -2.849
   68    HB   THR  12           HB       THR  12  -2.552  -8.146  -5.244
   69    HG1  THR  12           1HG      THR  12  -3.934  -6.896  -6.555
   70   1HG2  THR  12          1HG2      THR  12  -4.939  -9.132  -6.212
   71   2HG2  THR  12          2HG2      THR  12  -3.729 -10.135  -5.376
   72   3HG2  THR  12          3HG2      THR  12  -5.118  -9.479  -4.475
   73    H    ALA  13           H        ALA  13  -4.273  -5.198  -4.093
   74    HA   ALA  13           HA       ALA  13  -1.944  -3.878  -3.987
   75   1HB   ALA  13          1HB       ALA  13  -3.680  -2.079  -2.799
   76   2HB   ALA  13          2HB       ALA  13  -3.559  -2.395  -4.547
   77   3HB   ALA  13          3HB       ALA  13  -4.790  -3.234  -3.573
   78    H    ILE  14           H        ILE  14  -4.059  -4.654  -1.150
   79    HA   ILE  14           HA       ILE  14  -2.798  -3.366   0.832
   80    HB   ILE  14           HB       ILE  14  -3.796  -6.216   0.880
   81   2HG1  ILE  14          2HG1      ILE  14  -5.882  -5.087   1.782
   82   1HG2  ILE  14          1HG2      ILE  14  -4.170  -5.811   3.289
   83   2HG2  ILE  14          2HG2      ILE  14  -2.448  -5.775   2.840
   84   3HG2  ILE  14          3HG2      ILE  14  -3.321  -4.253   3.140
   85   1HD1  ILE  14          1HD1      ILE  14  -6.168  -2.801   1.650
   86   2HD1  ILE  14          2HD1      ILE  14  -4.406  -2.812   1.892
   87   3HD1  ILE  14          3HD1      ILE  14  -5.077  -2.640   0.253
   88    H    LYS  15           H        LYS  15  -1.700  -6.422  -0.746
   89    HA   LYS  15           HA       LYS  15   0.489  -6.837   0.934
   90   2HB   LYS  15          2HB       LYS  15   0.106  -7.656  -1.962
   91   2HG   LYS  15          2HG       LYS  15   1.531  -9.633  -1.073
   92   2HD   LYS  15          2HD       LYS  15   3.199  -7.129  -1.018
   93   2HE   LYS  15          2HE       LYS  15   3.663  -9.850  -1.508
   94   1HZ   LYS  15          1HZ       LYS  15   3.915 -10.128  -3.716
   95   2HZ   LYS  15          2HZ       LYS  15   2.649  -9.097  -3.776
   96   3HZ   LYS  15          3HZ       LYS  15   4.164  -8.548  -4.041
   97    H    GLN  16           H        GLN  16   0.154  -5.053  -2.196
   98    HA   GLN  16           HA       GLN  16   2.771  -4.443  -2.563
   99   2HB   GLN  16          2HB       GLN  16   1.738  -2.252  -3.623
  100   2HG   GLN  16          2HG       GLN  16   2.386  -4.090  -5.052
  101   1HE2  GLN  16          1HE2      GLN  16   2.799  -6.137  -4.762
  102   2HE2  GLN  16          2HE2      GLN  16   1.678  -7.388  -4.337
  103    H    VAL  17           H        VAL  17   0.654  -3.410  -0.009
  104    HA   VAL  17           HA       VAL  17   1.524  -0.900   0.606
  105    HB   VAL  17           HB       VAL  17   0.786  -3.235   2.374
  106   1HG1  VAL  17          1HG1      VAL  17   1.647  -0.480   3.069
  107   2HG1  VAL  17          2HG1      VAL  17   0.183  -1.074   3.889
  108   3HG1  VAL  17          3HG1      VAL  17   1.709  -1.981   4.024
  109   1HG2  VAL  17          1HG2      VAL  17  -0.836  -2.146   0.632
  110   2HG2  VAL  17          2HG2      VAL  17  -1.405  -2.477   2.285
  111   3HG2  VAL  17          3HG2      VAL  17  -0.929  -0.826   1.822
  112    H    LYS  18           H        LYS  18   3.021  -4.063   1.566
  113    HA   LYS  18           HA       LYS  18   5.163  -2.854   2.930
  114   2HB   LYS  18          2HB       LYS  18   4.487  -5.112   3.427
  115   2HG   LYS  18          2HG       LYS  18   3.906  -5.531   0.868
  116   2HD   LYS  18          2HD       LYS  18   6.353  -5.257   0.186
  117   2HE   LYS  18          2HE       LYS  18   6.533  -7.821   1.816
  118   1HZ   LYS  18          1HZ       LYS  18   7.448  -7.879  -0.564
  119   2HZ   LYS  18          2HZ       LYS  18   8.638  -6.924   0.018
  120   3HZ   LYS  18          3HZ       LYS  18   8.393  -8.406   0.660
  121    H    LYS  19           H        LYS  19   4.491  -3.566  -0.472
  122    HA   LYS  19           HA       LYS  19   7.155  -3.466  -1.366
  123   2HB   LYS  19          2HB       LYS  19   4.445  -3.474  -2.551
  124   2HG   LYS  19          2HG       LYS  19   5.636  -2.999  -4.835
  125   2HD   LYS  19          2HD       LYS  19   5.495  -0.343  -4.056
  126   2HE   LYS  19          2HE       LYS  19   3.332  -2.352  -4.799
  127   1HZ   LYS  19          1HZ       LYS  19   1.865  -0.574  -5.024
  128   2HZ   LYS  19          2HZ       LYS  19   2.492  -0.392  -3.526
  129   3HZ   LYS  19          3HZ       LYS  19   3.009   0.560  -4.749
  130    H    LEU  20           H        LEU  20   4.884  -1.041  -0.263
  131    HA   LEU  20           HA       LEU  20   6.373   1.083  -1.569
  132   2HB   LEU  20          2HB       LEU  20   3.736   0.763  -1.072
  133    HG   LEU  20           HG       LEU  20   4.146   1.218   1.414
  134   1HD1  LEU  20          1HD1      LEU  20   4.111   4.023   1.368
  135   2HD1  LEU  20          2HD1      LEU  20   5.408   2.959   1.959
  136   3HD1  LEU  20          3HD1      LEU  20   5.432   3.541   0.278
  137   1HD2  LEU  20          1HD2      LEU  20   2.124   2.193  -0.402
  138   2HD2  LEU  20          2HD2      LEU  20   1.959   1.561   1.254
  139   3HD2  LEU  20          3HD2      LEU  20   2.297   3.289   0.990
  140    H    PHE  21           H        PHE  21   6.436  -0.792   1.311
  141    HA   PHE  21           HA       PHE  21   7.470   1.318   2.968
  142   2HB   PHE  21          2HB       PHE  21   8.024  -1.217   4.099
  143    HD1  PHE  21           1HD      PHE  21   4.475  -0.451   3.563
  144    HD2  PHE  21           2HD      PHE  21   7.840   0.143   6.080
  145    HE1  PHE  21           1HE      PHE  21   2.973   0.458   5.357
  146    HE2  PHE  21           2HE      PHE  21   6.338   1.052   7.873
  147    HZ   PHE  21           HZ       PHE  21   3.922   1.199   7.491
  148    H    LYS  22           H        LYS  22   8.693  -0.919   0.600
  149    HA   LYS  22           HA       LYS  22  11.192  -1.508   1.598
  150   2HB   LYS  22          2HB       LYS  22   9.824  -2.076  -0.674
  151   2HG   LYS  22          2HG       LYS  22  11.511  -1.274  -2.493
  152   2HD   LYS  22          2HD       LYS  22   9.281   0.289  -1.222
  153   2HE   LYS  22          2HE       LYS  22  11.366   1.781  -2.182
  154   1HZ   LYS  22          1HZ       LYS  22   9.667   1.958  -4.460
  155   2HZ   LYS  22          2HZ       LYS  22  11.298   1.982  -4.374
  156   3HZ   LYS  22          3HZ       LYS  22  10.503   0.556  -4.398
  157    H    LYS  23           H        LYS  23   9.820   1.556   0.690
  158    HA   LYS  23           HA       LYS  23  12.451   2.742   0.322
  159   2HB   LYS  23          2HB       LYS  23  10.919   3.492  -1.293
  160   2HG   LYS  23          2HG       LYS  23   8.987   3.425   0.996
  161   2HD   LYS  23          2HD       LYS  23   9.262   5.755  -0.774
  162   2HE   LYS  23          2HE       LYS  23   6.509   5.593  -0.835
  163   1HZ   LYS  23          1HZ       LYS  23   7.419   4.521  -3.192
  164   2HZ   LYS  23          2HZ       LYS  23   7.113   6.094  -2.875
  165   3HZ   LYS  23          3HZ       LYS  23   8.618   5.497  -2.664
  166    H    TRP  24           H        TRP  24   9.697   2.597   2.604
  167    HA   TRP  24           HA       TRP  24  10.622   4.664   4.282
  168   2HB   TRP  24          2HB       TRP  24   9.028   3.764   5.895
  169    HD1  TRP  24           HD       TRP  24   8.956   4.933   2.409
  170    HE1  TRP  24           1HE      TRP  24   6.594   5.810   1.625
  171    HE3  TRP  24           3HE      TRP  24   6.341   2.943   6.290
  172    HZ2  TRP  24           2HZ      TRP  24   3.957   5.579   2.690
  173    HZ3  TRP  24           3HZ      TRP  24   3.877   3.315   6.344
  174    HH2  TRP  24           HH       TRP  24   2.685   4.582   4.626
  175    H    GLY  25           H        GLY  25  11.344   4.186   6.633
  176   1HA   GLY  25          1HA       GLY  25  12.349   2.255   7.926
  177   2HA   GLY  25          2HA       GLY  25  13.406   2.073   6.540
  178    H    TRP  26           H        TRP  26  15.127   3.536   6.181
  179    HA   TRP  26           HA       TRP  26  15.659   5.277   8.469
  180   2HB   TRP  26          2HB       TRP  26  17.730   4.798   6.409
  181    HD1  TRP  26           HD       TRP  26  17.012   4.413  10.245
  182    HE1  TRP  26           1HE      TRP  26  19.035   5.353  11.654
  183    HE3  TRP  26           3HE      TRP  26  19.900   5.652   6.249
  184    HZ2  TRP  26           2HZ      TRP  26  21.559   6.486  10.955
  185    HZ3  TRP  26           3HZ      TRP  26  22.130   6.671   6.699
  186    HH2  TRP  26           HH       TRP  26  22.972   7.091   8.955
  Start of MODEL   20
    1   1H    LYS   1           H        LYS   1  -2.628  12.070   1.078
    2    HA   LYS   1           HA       LYS   1  -1.731  14.098   2.188
    3   2HB   LYS   1          2HB       LYS   1  -4.230  13.884   3.609
    4   2HG   LYS   1          2HG       LYS   1  -4.893  15.421   1.624
    5   2HD   LYS   1          2HD       LYS   1  -2.590  15.969   3.527
    6   2HE   LYS   1          2HE       LYS   1  -2.320  17.387   1.438
    7   1HZ   LYS   1          1HZ       LYS   1  -5.067  17.658   1.791
    8   2HZ   LYS   1          2HZ       LYS   1  -4.392  19.137   1.937
    9   3HZ   LYS   1          3HZ       LYS   1  -4.138  18.253   0.588
   10    H    SER   2           H        SER   2  -3.317  11.822   4.543
   11    HA   SER   2           HA       SER   2  -1.783  13.031   6.631
   12   2HB   SER   2          2HB       SER   2  -3.605  10.599   6.823
   13    HG   SER   2           HG       SER   2  -3.420  10.900   8.934
   14    H    SER   3           H        SER   3  -2.230   9.671   5.292
   15    HA   SER   3           HA       SER   3   0.562   9.221   5.487
   16   2HB   SER   3          2HB       SER   3  -1.188   7.405   7.185
   17    HG   SER   3           HG       SER   3   0.662   6.345   7.289
   18    H    ALA   4           H        ALA   4  -2.436   7.159   5.695
   19    HA   ALA   4           HA       ALA   4  -2.736   6.602   3.044
   20   1HB   ALA   4          1HB       ALA   4  -0.810   5.504   2.544
   21   2HB   ALA   4          2HB       ALA   4  -0.429   5.193   4.254
   22   3HB   ALA   4          3HB       ALA   4  -1.574   4.139   3.391
   23    H    TYR   5           H        TYR   5  -4.781   5.821   3.012
   24    HA   TYR   5           HA       TYR   5  -5.540   3.990   5.182
   25   2HB   TYR   5          2HB       TYR   5  -7.849   5.374   4.518
   26    HD1  TYR   5           1HD      TYR   5  -4.718   6.705   6.127
   27    HD2  TYR   5           2HD      TYR   5  -8.827   5.608   6.599
   28    HE1  TYR   5           1HE      TYR   5  -4.619   7.366   8.580
   29    HE2  TYR   5           2HE      TYR   5  -8.714   6.273   9.051
   30    HH   TYR   5           HH       TYR   5  -5.761   7.699  10.398
   31    H    SER   6           H        SER   6  -4.932   2.392   3.419
   32    HA   SER   6           HA       SER   6  -6.864   2.350   1.271
   33   2HB   SER   6          2HB       SER   6  -4.488   0.511   1.801
   34    HG   SER   6           HG       SER   6  -5.600  -0.548   0.248
   35    H    LEU   7           H        LEU   7  -8.193   0.423   0.854
   36    HA   LEU   7           HA       LEU   7  -8.906  -0.896   3.348
   37   2HB   LEU   7          2HB       LEU   7 -10.786   0.011   2.384
   38    HG   LEU   7           HG       LEU   7  -9.552  -0.626  -0.235
   39   1HD1  LEU   7          1HD1      LEU   7 -12.198  -0.342  -0.969
   40   2HD1  LEU   7          2HD1      LEU   7 -11.252  -1.848  -1.005
   41   3HD1  LEU   7          3HD1      LEU   7 -12.276  -1.474   0.402
   42   1HD2  LEU   7          1HD2      LEU   7 -11.498   1.445  -0.347
   43   2HD2  LEU   7          2HD2      LEU   7 -10.579   1.641   1.165
   44   3HD2  LEU   7          3HD2      LEU   7  -9.723   1.577  -0.395
   45    H    GLN   8           H        GLN   8  -7.752  -1.569   0.009
   46    HA   GLN   8           HA       GLN   8  -6.757  -3.295  -0.853
   47   2HB   GLN   8          2HB       GLN   8  -6.016  -5.109   1.106
   48   2HG   GLN   8          2HG       GLN   8  -4.815  -2.931  -0.404
   49   1HE2  GLN   8          1HE2      GLN   8  -2.861  -1.864   0.032
   50   2HE2  GLN   8          2HE2      GLN   8  -2.403  -1.389   1.633
   51    H    MET   9           H        MET   9  -7.815  -4.828  -2.035
   52    HA   MET   9           HA       MET   9  -9.237  -6.892  -0.708
   53   2HB   MET   9          2HB       MET   9 -11.361  -6.230  -2.212
   54   2HG   MET   9          2HG       MET   9 -11.189  -4.348   0.088
   55   1HE   MET   9          1HE       MET   9 -12.478  -7.993  -1.008
   56   2HE   MET   9          2HE       MET   9 -12.316  -7.842   0.758
   57   3HE   MET   9          3HE       MET   9 -13.929  -8.006   0.023
   58    H    GLY  10           H        GLY  10  -8.955  -5.099  -3.859
   59   1HA   GLY  10          1HA       GLY  10  -9.448  -6.965  -5.702
   60   2HA   GLY  10          2HA       GLY  10  -8.112  -5.837  -5.838
   61    H    ALA  11           H        ALA  11  -5.954  -6.481  -5.019
   62    HA   ALA  11           HA       ALA  11  -5.204  -8.788  -3.890
   63   1HB   ALA  11          1HB       ALA  11  -4.607 -10.088  -6.148
   64   2HB   ALA  11          2HB       ALA  11  -6.169 -10.318  -5.324
   65   3HB   ALA  11          3HB       ALA  11  -6.056  -9.235  -6.731
   66    H    THR  12           H        THR  12  -4.700  -6.724  -6.801
   67    HA   THR  12           HA       THR  12  -1.862  -6.970  -6.717
   68    HB   THR  12           HB       THR  12  -3.800  -5.038  -8.092
   69    HG1  THR  12           1HG      THR  12  -3.663  -6.654  -9.657
   70   1HG2  THR  12          1HG2      THR  12  -1.069  -5.624  -9.185
   71   2HG2  THR  12          2HG2      THR  12  -2.026  -4.128  -9.283
   72   3HG2  THR  12          3HG2      THR  12  -1.126  -4.513  -7.797
   73    H    ALA  13           H        ALA  13  -4.202  -4.432  -5.632
   74    HA   ALA  13           HA       ALA  13  -2.508  -2.512  -4.812
   75   1HB   ALA  13          1HB       ALA  13  -4.321  -2.574  -2.744
   76   2HB   ALA  13          2HB       ALA  13  -4.634  -1.869  -4.348
   77   3HB   ALA  13          3HB       ALA  13  -5.161  -3.530  -3.989
   78    H    ILE  14           H        ILE  14  -3.305  -5.572  -3.054
   79    HA   ILE  14           HA       ILE  14  -2.083  -5.183  -0.698
   80    HB   ILE  14           HB       ILE  14  -2.346  -7.552  -2.495
   81   2HG1  ILE  14          2HG1      ILE  14  -3.502  -6.671   0.152
   82   1HG2  ILE  14          1HG2      ILE  14  -1.392  -9.004  -0.747
   83   2HG2  ILE  14          2HG2      ILE  14  -0.181  -7.917  -1.466
   84   3HG2  ILE  14          3HG2      ILE  14  -0.854  -7.560   0.142
   85   1HD1  ILE  14          1HD1      ILE  14  -4.845  -5.812  -1.571
   86   2HD1  ILE  14          2HD1      ILE  14  -4.491  -7.174  -2.661
   87   3HD1  ILE  14          3HD1      ILE  14  -5.600  -7.400  -1.287
   88    H    LYS  15           H        LYS  15  -0.459  -5.993  -3.823
   89    HA   LYS  15           HA       LYS  15   2.114  -6.165  -2.745
   90   2HB   LYS  15          2HB       LYS  15   1.056  -6.804  -5.102
   91   2HG   LYS  15          2HG       LYS  15   0.848  -4.286  -5.661
   92   2HD   LYS  15          2HD       LYS  15   3.765  -4.557  -5.228
   93   2HE   LYS  15          2HE       LYS  15   2.804  -4.061  -7.929
   94   1HZ   LYS  15          1HZ       LYS  15   2.723  -1.799  -7.417
   95   2HZ   LYS  15          2HZ       LYS  15   4.086  -1.835  -6.519
   96   3HZ   LYS  15          3HZ       LYS  15   4.173  -2.006  -8.140
   97    H    GLN  16           H        GLN  16   0.231  -3.412  -4.132
   98    HA   GLN  16           HA       GLN  16   2.232  -1.566  -4.143
   99   2HB   GLN  16          2HB       GLN  16   0.104   0.003  -3.518
  100   2HG   GLN  16          2HG       GLN  16   0.137  -1.533  -6.143
  101   1HE2  GLN  16          1HE2      GLN  16   0.337   0.455  -7.821
  102   2HE2  GLN  16          2HE2      GLN  16  -0.916   1.638  -7.646
  103    H    VAL  17           H        VAL  17   0.761  -3.158  -1.433
  104    HA   VAL  17           HA       VAL  17   0.803  -1.281   0.547
  105    HB   VAL  17           HB       VAL  17   1.513  -4.216   0.569
  106   1HG1  VAL  17          1HG1      VAL  17   1.434  -2.218   2.783
  107   2HG1  VAL  17          2HG1      VAL  17   0.707  -3.813   3.091
  108   3HG1  VAL  17          3HG1      VAL  17   2.415  -3.692   2.600
  109   1HG2  VAL  17          1HG2      VAL  17  -1.025  -3.007   1.637
  110   2HG2  VAL  17          2HG2      VAL  17  -0.834  -3.270  -0.114
  111   3HG2  VAL  17          3HG2      VAL  17  -0.721  -4.646   1.011
  112    H    LYS  18           H        LYS  18   3.551  -3.320  -0.650
  113    HA   LYS  18           HA       LYS  18   5.418  -2.185   1.125
  114   2HB   LYS  18          2HB       LYS  18   5.787  -4.362   0.164
  115   2HG   LYS  18          2HG       LYS  18   4.644  -3.589  -2.106
  116   2HD   LYS  18          2HD       LYS  18   6.529  -1.886  -2.516
  117   2HE   LYS  18          2HE       LYS  18   8.370  -3.536  -1.837
  118   1HZ   LYS  18          1HZ       LYS  18   8.976  -5.151  -3.351
  119   2HZ   LYS  18          2HZ       LYS  18   7.351  -5.304  -3.301
  120   3HZ   LYS  18          3HZ       LYS  18   8.061  -4.547  -4.562
  121    H    LYS  19           H        LYS  19   4.055  -1.206  -1.993
  122    HA   LYS  19           HA       LYS  19   6.101   0.582  -2.710
  123   2HB   LYS  19          2HB       LYS  19   3.364  -0.084  -3.589
  124   2HG   LYS  19          2HG       LYS  19   3.468   2.051  -5.088
  125   2HD   LYS  19          2HD       LYS  19   2.641   3.401  -2.820
  126   2HE   LYS  19          2HE       LYS  19   0.390   2.108  -3.280
  127   1HZ   LYS  19          1HZ       LYS  19   1.634   3.426  -5.580
  128   2HZ   LYS  19          2HZ       LYS  19   0.061   3.442  -5.137
  129   3HZ   LYS  19          3HZ       LYS  19   1.166   4.263  -4.258
  130    H    LEU  20           H        LEU  20   3.575   0.657  -0.288
  131    HA   LEU  20           HA       LEU  20   3.753   3.550  -0.062
  132   2HB   LEU  20          2HB       LEU  20   1.672   1.853   0.192
  133    HG   LEU  20           HG       LEU  20   2.611   1.005   2.414
  134   1HD1  LEU  20          1HD1      LEU  20   1.623   2.954   4.147
  135   2HD1  LEU  20          2HD1      LEU  20   3.329   2.532   3.861
  136   3HD1  LEU  20          3HD1      LEU  20   2.574   3.859   2.945
  137   1HD2  LEU  20          1HD2      LEU  20   0.479   0.347   2.402
  138   2HD2  LEU  20          2HD2      LEU  20   0.173   1.736   3.472
  139   3HD2  LEU  20          3HD2      LEU  20  -0.092   1.888   1.718
  140    H    PHE  21           H        PHE  21   5.314   0.704   1.080
  141    HA   PHE  21           HA       PHE  21   5.963   1.737   3.668
  142   2HB   PHE  21          2HB       PHE  21   7.781  -0.303   2.913
  143    HD1  PHE  21           1HD      PHE  21   7.754  -0.584   5.304
  144    HD2  PHE  21           2HD      PHE  21   4.238  -1.259   3.026
  145    HE1  PHE  21           1HE      PHE  21   6.692  -1.715   7.277
  146    HE2  PHE  21           2HE      PHE  21   3.177  -2.390   4.999
  147    HZ   PHE  21           HZ       PHE  21   4.417  -2.606   7.101
  148    H    LYS  22           H        LYS  22   7.150   2.145   0.417
  149    HA   LYS  22           HA       LYS  22   9.853   2.453   0.817
  150   2HB   LYS  22          2HB       LYS  22   8.190   2.636  -1.301
  151   2HG   LYS  22          2HG       LYS  22   8.736   5.052  -2.162
  152   2HD   LYS  22          2HD       LYS  22   6.559   4.188  -0.272
  153   2HE   LYS  22          2HE       LYS  22   7.414   6.838  -0.168
  154   1HZ   LYS  22          1HZ       LYS  22   5.943   8.058  -1.469
  155   2HZ   LYS  22          2HZ       LYS  22   6.573   6.964  -2.506
  156   3HZ   LYS  22          3HZ       LYS  22   5.066   6.755  -1.914
  157    H    LYS  23           H        LYS  23   7.194   4.330   2.053
  158    HA   LYS  23           HA       LYS  23   8.939   6.604   2.576
  159   2HB   LYS  23          2HB       LYS  23   6.807   7.198   1.679
  160   2HG   LYS  23          2HG       LYS  23   5.858   5.054   3.480
  161   2HD   LYS  23          2HD       LYS  23   5.059   7.508   4.375
  162   2HE   LYS  23          2HE       LYS  23   2.511   7.032   3.150
  163   1HZ   LYS  23          1HZ       LYS  23   3.475   9.118   3.988
  164   2HZ   LYS  23          2HZ       LYS  23   4.412   9.213   2.654
  165   3HZ   LYS  23          3HZ       LYS  23   2.786   9.276   2.517
  166    H    TRP  24           H        TRP  24   7.255   3.876   4.143
  167    HA   TRP  24           HA       TRP  24   7.666   4.779   6.788
  168   2HB   TRP  24          2HB       TRP  24   7.182   2.406   7.370
  169    HD1  TRP  24           HD       TRP  24   5.565   5.278   5.728
  170    HE1  TRP  24           1HE      TRP  24   2.929   5.210   5.812
  171    HE3  TRP  24           3HE      TRP  24   5.212   0.394   7.100
  172    HZ2  TRP  24           2HZ      TRP  24   1.034   3.167   6.429
  173    HZ3  TRP  24           3HZ      TRP  24   2.931  -0.558   7.423
  174    HH2  TRP  24           HH       TRP  24   0.887   0.744   7.110
  175    H    GLY  25           H        GLY  25   9.290   2.164   4.831
  176   1HA   GLY  25          1HA       GLY  25  11.523   1.723   4.655
  177   2HA   GLY  25          2HA       GLY  25  11.885   2.997   5.800
  178    H    TRP  26           H        TRP  26  13.417   1.055   6.438
  179    HA   TRP  26           HA       TRP  26  13.956  -0.582   7.839
  180   2HB   TRP  26          2HB       TRP  26  11.765   0.588   9.562
  181    HD1  TRP  26           HD       TRP  26  14.842  -1.738   9.510
  182    HE1  TRP  26           1HE      TRP  26  15.193  -2.911  11.848
  183    HE3  TRP  26           3HE      TRP  26  11.289   0.938  11.975
  184    HZ2  TRP  26           2HZ      TRP  26  13.971  -2.595  14.408
  185    HZ3  TRP  26           3HZ      TRP  26  10.932   0.443  14.392
  186    HH2  TRP  26           HH       TRP  26  12.204  -1.254  15.606