*HEADER    TOXIN                                   11-MAY-18   6GIF              
*TITLE     AAPA1 V26A TOXIN FROM HELICOBACTER PYLORI 26695                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AAPA1;                                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI SS1;                        
*SOURCE   4 ORGANISM_TAXID: 102617                                               
*KEYWDS    AAPA1 V26A TOXIN FROM HELICOBACTER PYLORI 26695, TOXIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    D.N.KORKUT,G.SALGADO                                                  
*REVDAT   1   23-MAY-18 6GIF    0                                                
# Restraints file 1: V1unambig
  2 ALA  H       1 MET  HA      4.38
  3 THR  H       2 ALA  HA      4.25
  3 THR  H       2 ALA  QB      5.09
  4 LYS+ H       3 THR  HA      4.18
  4 LYS+ H       3 THR  HB      4.94
  4 LYS+ H       3 THR  QG2     5.44
  5 HIS+ H       4 LYS+ HA      4.15
  5 HIS+ H       4 LYS+ HB2     5.06
  5 HIS+ H       4 LYS+ HB3     5.31
  6 GLY  H       5 HIS+ HB2     5.09
  6 GLY  H       5 HIS+ HB3     5.12
  7 LYS+ H       6 GLY  HA2     4.37
  7 LYS+ H       6 GLY  HA3     4.36
  8 ASN  H       7 LYS+ HA      4.15
  8 ASN  H       6 GLY  HA2     5.44
  8 ASN  H       7 LYS+ QB      4.77
  8 ASN  H       7 LYS+ QB      5.08
  8 ASN  H       7 LYS+ HG3     5.70
  8 ASN  H       7 LYS+ HG2     5.86
  9 SER  H       8 ASN  HA      6.00
 10 TRP  H       9 SER  HA      6.00
 10 TRP  H       9 SER  HB3     4.83
 10 TRP  H       9 SER  HB2     4.67
 10 TRP  H      11 LYS+ HA      5.56
 10 TRP  H      13 LEU  QQD     5.43
 10 TRP  H      11 LYS+ HB3     5.32
 10 TRP  H      11 LYS+ HB2     5.41
 10 TRP  H      13 LEU  HG      5.34
 11 LYS+ H      10 TRP  HA      4.83
 11 LYS+ H       9 SER  HA      5.33
 11 LYS+ H      12 THR  HA      5.25
 11 LYS+ H      10 TRP  HB2     4.98
 11 LYS+ H      10 TRP  HB3     5.02
 11 LYS+ H      14 TYR  HB3     5.77
 11 LYS+ H      13 LEU  QQD     5.55
 12 THR  H      11 LYS+ HA      4.72
 12 THR  H      13 LEU  HA      5.35
 12 THR  H      11 LYS+ HB2     4.72
 12 THR  H      11 LYS+ HB3     4.64
 11 LYS+ H      12 THR  QG2     5.48
 12 THR  H      13 LEU  QQD     4.82
 12 THR  H      11 LYS+ QG      5.14
 13 LEU  H      12 THR  HB      4.06
 13 LEU  H      11 LYS+ HA      5.15
 13 LEU  H      12 THR  HA      3.71
 13 LEU  H      10 TRP  HA      4.92
 13 LEU  H      14 TYR  HB3     5.50
 13 LEU  H      14 TYR  HB2     5.38
 13 LEU  H      12 THR  QG2     4.40
 14 TYR  H      11 LYS+ HA      3.98
 14 TYR  H      13 LEU  HG      3.75
 14 TYR  H      15 LEU  HG      4.70
 14 TYR  H      12 THR  QG2     5.54
 14 TYR  H      15 LEU  QQD     3.80
 14 TYR  H      17 ILE  QD1     5.47
 14 TYR  H      17 ILE  HB      4.08
 15 LEU  H      14 TYR  HB2     3.81
 15 LEU  H      14 TYR  HB3     3.66
 15 LEU  H      16 LYS+ HB2     5.64
 16 LYS+ H      15 LEU  HA      3.88
 16 LYS+ H      14 TYR  HA      3.81
 16 LYS+ H      17 ILE  QD1     4.83
 16 LYS+ H      17 ILE  QG2     6.00
 16 LYS+ H      12 THR  QG2     5.04
 17 ILE  H      16 LYS+ HA      4.44
 17 ILE  H      14 TYR  HA      4.01
 17 ILE  H      16 LYS+ HB2     4.05
 17 ILE  H      16 LYS+ HB3     4.26
 18 SER  H      19 PHE  HA      4.99
 18 SER  H      17 ILE  HA      3.99
 18 SER  H      17 ILE  HB      6.00
 18 SER  H      17 ILE  QG2     3.48
 18 SER  H      17 ILE  QD1     5.13
 19 PHE  H      16 LYS+ HA      4.20
 19 PHE  H      18 SER  HB3     3.85
 19 PHE  H      18 SER  HB2     4.30
 20 LEU  H      16 LYS+ HA      5.26
 18 SER  H      16 LYS+ HA      5.29
 20 LEU  H      17 ILE  HA      4.12
 21 GLY  H      20 LEU  HG      4.03
 21 GLY  H      20 LEU  QQD     4.25
 22 CYS  H      21 GLY  QA      3.69
 22 CYS  H      21 GLY  QA      3.55
 22 CYS  H      19 PHE  HA      4.20
 23 LYS+ H      22 CYS  HA      3.76
 23 LYS+ H      21 GLY  QA      5.24
 23 LYS+ H      21 GLY  QA      5.29
 23 LYS+ H      24 VAL  HA      5.21
 23 LYS+ H      22 CYS  HB3     4.04
 23 LYS+ H      22 CYS  HB2     4.25
 23 LYS+ H      24 VAL  HB      4.99
 23 LYS+ H      24 VAL  QG1     6.00
 24 VAL  H      23 LYS+ HA      3.64
 24 VAL  H      21 GLY  QA      4.63
 24 VAL  H      21 GLY  QA      4.49
 24 VAL  H      22 CYS  HB2     5.14
 24 VAL  H      22 CYS  HB3     5.06
 24 VAL  H      23 LYS+ HB3     3.42
 24 VAL  H      23 LYS+ HB2     3.07
 24 VAL  H      23 LYS+ HG3     5.71
 25 VAL  H      24 VAL  HA      4.09
 25 VAL  H      21 GLY  QA      5.39
 25 VAL  H      24 VAL  HB      3.54
 26 ALA  H      25 VAL  HA      4.09
 26 ALA  H      24 VAL  HA      5.18
 26 ALA  H      22 CYS  HA      4.59
 26 ALA  H      25 VAL  HB      3.53
 26 ALA  H      23 LYS+ HB2     5.31
 26 ALA  H      23 LYS+ HB3     5.08
 26 ALA  H      25 VAL  QG2     4.11
 26 ALA  H      25 VAL  QG1     3.87
 27 LEU  H      26 ALA  HA      3.92
 27 LEU  H      28 LEU  HA      5.28
 27 LEU  H      24 VAL  HA      3.99
 27 LEU  H      25 VAL  HA      4.57
 27 LEU  H      24 VAL  HB      4.97
 27 LEU  H      26 ALA  QB      3.40
 27 LEU  H      24 VAL  QG2     4.71
 28 LEU  H      27 LEU  HA      4.21
 28 LEU  H      26 ALA  HA      5.24
 28 LEU  H      24 VAL  HA      4.99
 28 LEU  H      25 VAL  HA      4.10
 28 LEU  H      27 LEU  HB3     4.07
 28 LEU  H      27 LEU  HG      4.10
 28 LEU  H      25 VAL  QG1     4.51
 30 ARG+ H      29 LYS+ HA      3.35
 30 ARG+ H      27 LEU  HA      4.68
 30 ARG+ H      26 ALA  HA      4.92
 30 ARG+ H      28 LEU  HG      5.37
 30 ARG+ H      26 ALA  QB      4.81
 29 LYS+ H      28 LEU  HA      6.00
 29 LYS+ H      25 VAL  HA      4.50
 17 ILE  H      16 LYS+ H       3.71
 17 ILE  H      18 SER  H       3.64
  8 ASN  H       9 SER  H       3.85
  8 ASN  H       7 LYS+ H       4.13
 21 GLY  H      20 LEU  H       3.75
 21 GLY  H      22 CYS  H       3.77
 15 LEU  H      16 LYS+ H       3.59
  9 SER  H      10 TRP  H       3.81
 15 LEU  H      14 TYR  QD      4.60
 20 LEU  H      19 PHE  QD      5.27
 19 PHE  H      20 LEU  H       3.72
 14 TYR  H      13 LEU  H       3.50
 27 LEU  H      26 ALA  H       3.42
 25 VAL  H      26 ALA  H       3.42
 10 TRP  H      11 LYS+ H       3.47
 12 THR  H      13 LEU  H       3.78
 28 LEU  H      27 LEU  H       3.35
 24 VAL  H      23 LYS+ H       4.00
 24 VAL  H      25 VAL  H       3.49
 29 LYS+ H      30 ARG+ H       3.68
 28 LEU  H      29 LYS+ H       4.00
 14 TYR  H      12 THR  H       5.23
 14 TYR  H      16 LYS+ H       4.41
 20 LEU  H      16 LYS+ H       6.00
  5 HIS+ H       4 LYS+ H       4.38
 28 LEU  H      26 ALA  H       5.32
 24 VAL  H      26 ALA  H       5.03
  9 SER  H      12 THR  H       5.31
 10 TRP  HE3    14 TYR  HB2     4.40
 10 TRP  HE3    14 TYR  HB3     4.89
 10 TRP  HE3    11 LYS+ HA      4.01
 10 TRP  HE3    14 TYR  HA      5.00
 12 THR  H       9 SER  HA      5.13
 10 TRP  HD1     9 SER  HA      5.93
 10 TRP  HD1     7 LYS+ HA      5.06
 10 TRP  HD1    11 LYS+ HA      5.89
 10 TRP  HD1     9 SER  HB2     5.80
 19 PHE  QD     20 LEU  HA      4.39
 19 PHE  QD     16 LYS+ HA      4.58
 14 TYR  QD     15 LEU  HA      4.36
 14 TYR  QD     11 LYS+ HA      4.22
 14 TYR  QE     15 LEU  HA      5.47
 14 TYR  QD     13 LEU  HG      5.20
 14 TYR  QD     17 ILE  QD1     4.70
 14 TYR  QD     17 ILE  QG2     3.52
 14 TYR  QE     17 ILE  QG2     3.90
 12 THR  H      11 LYS+ QG      5.24
 12 THR  H      10 TRP  HA      5.87
 14 TYR  HB3    17 ILE  QG2     4.62
 14 TYR  HB3    17 ILE  HB      5.22
 14 TYR  HB2    17 ILE  HB      4.97
 15 LEU  H      12 THR  QG2     5.31
 17 ILE  H      15 LEU  HA      5.82
 21 GLY  H      24 VAL  QG2     5.74
 18 SER  HB2    17 ILE  QG2     4.42
 18 SER  HB3    17 ILE  QG2     3.92
 18 SER  HA     17 ILE  QG2     3.03
  9 SER  HA     12 THR  HA      4.93
 21 GLY  H      18 SER  HA      5.26
 15 LEU  H      14 TYR  HA      3.52
 15 LEU  H      16 LYS+ HA      5.31
 20 LEU  H      19 PHE  HA      6.00
 21 GLY  H      19 PHE  HA      5.67
 22 CYS  H      24 VAL  HA      6.00
 22 CYS  H      24 VAL  HB      4.75
 16 LYS+ H      15 LEU  HG      3.83
 22 CYS  HB2    25 VAL  QG2     5.90
 22 CYS  HB3    26 ALA  QB      5.86
 22 CYS  HB2    23 LYS+ HG3     5.35
 23 LYS+ H      19 PHE  HA      4.82
 23 LYS+ HA     24 VAL  HA      5.18
 25 VAL  H      22 CYS  HA      4.24
 14 TYR  QE     18 SER  HB2     5.78
 21 GLY  H      24 VAL  HB      5.96
  2 ALA  H       1 MET  QG      5.98
 24 VAL  HA     27 LEU  QQD     4.50
 25 VAL  H      21 GLY  QA      5.85
 25 VAL  H      23 LYS+ HA      4.43
 25 VAL  H      23 LYS+ HB2     4.32
 25 VAL  H      27 LEU  HG      5.30
 25 VAL  H      26 ALA  QB      4.41
 25 VAL  H      28 LEU  QQD     5.37
 25 VAL  HA     28 LEU  QQD     3.83
 12 THR  H      10 TRP  HB2     5.91
 11 LYS+ H      14 TYR  HB2     6.00
 26 ALA  H      27 LEU  HG      4.64
 26 ALA  H      27 LEU  QQD     5.88
 26 ALA  HA     25 VAL  HA      5.93
 15 LEU  H      13 LEU  H       4.46
 15 LEU  H      12 THR  H       5.62
  9 SER  H      11 LYS+ H       5.67
 23 LYS+ H      26 ALA  H       5.66
 30 ARG+ HE     27 LEU  HA      5.89
 27 LEU  HA     24 VAL  HA      5.17
 28 LEU  H      29 LYS+ QG      5.36
 22 CYS  HA     21 GLY  QA      5.34
 28 LEU  HA     25 VAL  HA      5.01
 29 LYS+ H      28 LEU  QQD     4.68
 30 ARG+ H      25 VAL  HA      4.72
 30 ARG+ H      25 VAL  QG1     4.52
 30 ARG+ H      25 VAL  QG2     4.37
 30 ARG+ H      28 LEU  QQD     5.73
 30 ARG+ HA     28 LEU  QQD     5.84
 10 TRP  HZ3    11 LYS+ HA      5.36
 14 TYR  QE     11 LYS+ HA      5.76
 14 TYR  QE     17 ILE  QD1     5.95
 19 PHE  QD     20 LEU  QQD     3.35
 14 TYR  HB2    17 ILE  QD1     5.54
 14 TYR  HB3    17 ILE  QD1     5.91
 14 TYR  HB2    17 ILE  QG2     4.40
 10 TRP  HB2    13 LEU  HG      5.77
 10 TRP  HB3    13 LEU  HG      5.89
 14 TYR  HB3    11 LYS+ HB3     5.67
 10 TRP  HB2    13 LEU  QQD     5.23
 10 TRP  HB3    13 LEU  QQD     5.34
 19 PHE  QD     22 CYS  HB3     5.69
 19 PHE  QD     22 CYS  HB2     4.95
 10 TRP  HZ3    14 TYR  HB3     5.94
 10 TRP  HZ3    14 TYR  HB2     5.66
 10 TRP  HE3    11 LYS+ QG      5.83
 10 TRP  HE3    11 LYS+ QG      5.86
 10 TRP  HE3    13 LEU  HG      4.73
 19 PHE  HA     20 LEU  QQD     5.36
 10 TRP  HA     13 LEU  QQD     5.78
 21 GLY  H      20 LEU  HA      3.72
  7 LYS+ HA     10 TRP  HB3     5.99
  9 SER  H      12 THR  QG2     5.55
  9 SER  HA     12 THR  QG2     5.58
 10 TRP  HA     13 LEU  HG      6.00
 16 LYS+ HA     17 ILE  HA      5.77
 18 SER  HA     17 ILE  HA      4.87
 13 LEU  HA     16 LYS+ HB2     3.69
 13 LEU  HA     16 LYS+ HB3     3.79
 13 LEU  HA     12 THR  QG2     4.38
 13 LEU  HA     17 ILE  QD1     3.98
 14 TYR  HA     15 LEU  QQD     6.00
 14 TYR  HA     17 ILE  QD1     3.83
 16 LYS+ HA     17 ILE  HB      6.00
 16 LYS+ HA     15 LEU  HG      5.06
 16 LYS+ HA     12 THR  QG2     5.58
 16 LYS+ HA     17 ILE  QG2     6.00
 26 ALA  HA     25 VAL  HB      5.44
 22 CYS  HA     25 VAL  HB      3.51
 18 SER  HA     17 ILE  HB      6.00
 18 SER  HA     17 ILE  QD1     6.00
 19 PHE  HA     18 SER  HB2     5.76
 19 PHE  HA     22 CYS  HB3     4.81
 19 PHE  HA     22 CYS  HB2     5.16
 19 PHE  HA     20 LEU  HA      5.78
 21 GLY  QA     20 LEU  QQD     3.92
 21 GLY  QA     20 LEU  QQD     3.17
 21 GLY  QA     24 VAL  QG2     4.54
 21 GLY  QA     24 VAL  QG2     4.70
 21 GLY  QA     24 VAL  HB      4.42
 21 GLY  QA     24 VAL  HB      4.38
 22 CYS  HA     21 GLY  QA      5.55
 23 LYS+ HA     22 CYS  HB2     4.13
 23 LYS+ HA     22 CYS  HB3     4.84
 23 LYS+ HA     24 VAL  HB      6.00
 23 LYS+ HA     24 VAL  QG1     6.00
 24 VAL  HA     23 LYS+ HB3     6.00
 24 VAL  HA     23 LYS+ HB2     4.80
 24 VAL  HA     27 LEU  HB2     4.73
 24 VAL  HA     27 LEU  HG      4.04
 24 VAL  HA     26 ALA  QB      5.62
 25 VAL  HA     24 VAL  HB      5.74
 25 VAL  HA     28 LEU  HG      4.24
 25 VAL  HA     26 ALA  QB      5.37
 26 ALA  HA     27 LEU  HB2     5.60
 26 ALA  HA     27 LEU  HG      6.00
 26 ALA  HA     25 VAL  QG2     5.15
 26 ALA  HA     28 LEU  QQD     5.81
 27 LEU  HA     26 ALA  QB      4.22
 22 CYS  HA     23 LYS+ HB2     6.00
 22 CYS  HA     25 VAL  QG1     3.96
 28 LEU  HA     27 LEU  HG      4.75
 28 LEU  HA     29 LYS+ QG      5.28
 22 CYS  HA     25 VAL  QG2     3.74
 29 LYS+ HA     28 LEU  QQD     4.39
 19 PHE  QD     23 LYS+ HG3     5.84
 19 PHE  QE     23 LYS+ HG2     5.68
 19 PHE  QE     20 LEU  HA      5.12
 11 LYS+ H      12 THR  HB      4.93
 12 THR  HB     13 LEU  HG      4.65
 14 TYR  HA     13 LEU  HG      6.00
 19 PHE  QE     20 LEU  QQD     3.84
 19 PHE  QE     22 CYS  HB2     5.44
 28 LEU  H      25 VAL  QG2     5.51
 22 CYS  HB2    23 LYS+ HG2     4.89
 10 TRP  HZ2    11 LYS+ HB3     5.94
 10 TRP  H       8 ASN  HA      4.52
# Restraints file 2: V1ambig
  9 SER  H       8 ASN  QB      4.57
 10 TRP  H       8 ASN  QB      5.60
 10 TRP  H      13 LEU  QB      5.55
 11 LYS+ H       8 ASN  QB      5.66
 12 THR  H      13 LEU  QB      5.38
 14 TYR  H      13 LEU  QB      4.45
 15 LEU  H      13 LEU  QB      6.00
 16 LYS+ H      19 PHE  QB      5.27
 17 ILE  H      16 LYS+ QD      4.37
 18 SER  H      19 PHE  QB      4.92
 18 SER  H      16 LYS+ QD      4.86
 18 SER  H      17 ILE  QG1     5.26
 20 LEU  H      19 PHE  QB      4.38
 21 GLY  H      20 LEU  QB      4.68
 24 VAL  H      23 LYS+ QD      5.08
 27 LEU  H      28 LEU  QB      4.96
 10 TRP  HD1     8 ASN  QB      5.76
 10 TRP  HZ2    11 LYS+ QE      6.00
 19 PHE  QD     23 LYS+ QD      5.09
 14 TYR  QD     13 LEU  QB      4.85
 14 TYR  QD     15 LEU  QB      5.18
 14 TYR  QD     11 LYS+ QD      5.43
 10 TRP  HE3    13 LEU  QB      5.21
 14 TYR  HB3    13 LEU  QB      5.35
 14 TYR  HB2    13 LEU  QB      5.29
 21 GLY  H      19 PHE  QB      5.87
 19 PHE  QB     20 LEU  QQD     4.74
 19 PHE  QB     16 LYS+ QG      5.71
 19 PHE  QB     20 LEU  HG      6.00
 19 PHE  QB     17 ILE  HB      6.00
 19 PHE  QB     20 LEU  QB      5.05
 19 PHE  QB     16 LYS+ HB3     5.54
 19 PHE  QB     16 LYS+ HB2     5.99
 23 LYS+ QE     20 LEU  QQD     6.00
 27 LEU  HA     30 ARG+ QD      5.36
 16 LYS+ QE     17 ILE  HB      5.46
 16 LYS+ QE     12 THR  QG2     6.00
 16 LYS+ QE     17 ILE  QG2     6.00
  8 ASN  QB     12 THR  QG2     5.47
  8 ASN  QB     11 LYS+ HB3     4.88
 10 TRP  HB2    13 LEU  QB      5.54
 10 TRP  HB3    13 LEU  QB      5.62
  8 ASN  QB     11 LYS+ QG      5.56
 10 TRP  HH2    11 LYS+ QE      6.00
 19 PHE  QD     23 LYS+ QE      5.56
 17 ILE  H      16 LYS+ QG      5.91
 14 TYR  QE     13 LEU  QB      5.68
  5 HIS+ H       4 LYS+ QD      5.71
  7 LYS+ HA      8 ASN  QB      5.43
 10 TRP  HA     13 LEU  QB      5.42
 13 LEU  H      11 LYS+ QE      5.70
 14 TYR  HA     11 LYS+ HA      4.94
 14 TYR  HA     17 ILE  HA      0.00
 14 TYR  HA     17 ILE  QG1     4.74
 15 LEU  HA     15 LEU  QB      4.18
 16 LYS+ HA     19 PHE  QB      4.37
 11 LYS+ HA     13 LEU  QB      5.19
 17 ILE  HA     16 LYS+ QD      4.41
 18 SER  HA     19 PHE  QB      6.00
 18 SER  HA     16 LYS+ QD      6.00
 13 LEU  HA     16 LYS+ QG      5.03
 18 SER  HA     17 ILE  QG1     5.05
 20 LEU  HA     19 PHE  QB      5.10
 25 VAL  HA     29 LYS+ QD      5.88
 26 ALA  HA     28 LEU  QB      6.00
 27 LEU  HA     28 LEU  QB      6.00
 27 LEU  HA     30 ARG+ QG      5.11
 29 LYS+ HA     30 ARG+ QG      5.45
 19 PHE  QE     23 LYS+ QD      5.26
 25 VAL  HA     28 LEU  QB      4.38
 12 THR  HB     13 LEU  QB      6.00
  8 ASN  QB     11 LYS+ HB2     5.33
  8 ASN  QB     11 LYS+ QD      4.94
  8 ASN  QB      7 LYS+ HG3     5.96
 11 LYS+ QE     12 THR  QG2     4.85
 19 PHE  QD     20 LEU  QB      4.89
 19 PHE  QE     23 LYS+ QE      5.86
 19 PHE  QE     20 LEU  QB      5.57
  8 ASN  QB      7 LYS+ QB      5.60
 12 THR  H      15 LEU  QB      5.56
# Restraints file 3: V1dihedral
  9 SER   PHI     -83.4   -43.4
  9 SER   PSI     -60.7   -19.9
 10 TRP   PHI     -99.5   -38.1
 10 TRP   PSI     -71.9    -2.1
 11 LYS+  PHI     -86.1   -46.1
 11 LYS+  PSI     -60.9   -11.3
 12 THR   PHI     -95.4   -48.0
 12 THR   PSI     -67.6     4.0
 13 LEU   PHI    -102.4   -42.4
 13 LEU   PSI     -67.2     1.8
 14 TYR   PHI     -86.5   -44.1
 14 TYR   PSI     -60.5   -20.5
 15 LEU   PHI     -86.6   -46.6
 15 LEU   PSI     -61.5   -21.5
 16 LYS+  PHI     -86.0   -46.0
 16 LYS+  PSI     -60.0   -20.0
 17 ILE   PHI     -86.5   -43.9
 17 ILE   PSI     -56.2   -16.2
 18 SER   PHI     -85.2   -45.2
 18 SER   PSI     -61.3   -21.3
 19 PHE   PHI     -85.1   -45.1
 19 PHE   PSI     -63.9   -23.9
 20 LEU   PHI     -82.8   -42.8
 20 LEU   PSI     -64.5   -24.5
 21 GLY   PHI     -83.9   -43.9
 21 GLY   PSI     -58.8   -10.8
 22 CYS   PHI     -83.0   -43.0
 22 CYS   PSI     -64.0   -24.0
 23 LYS+  PHI     -84.9   -44.9
 23 LYS+  PSI     -64.9   -13.1
 24 VAL   PHI     -83.6   -43.6
 24 VAL   PSI     -63.4   -23.0
 25 VAL   PHI     -81.6   -41.6
 25 VAL   PSI     -62.4   -22.4
 26 ALA   PHI     -85.5   -45.5
 26 ALA   PSI     -57.5   -17.5
 27 LEU   PHI     -86.1   -46.1
 27 LEU   PSI     -59.2   -15.4
 28 LEU   PHI     -83.9   -43.9
 28 LEU   PSI     -65.8    -8.2
 29 LYS+  PHI     -83.8   -43.8
 29 LYS+  PSI     -60.0   -20.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1          1H        MET   1 -21.151  -2.449 -23.357
    2    H2   MET   1          2H        MET   1 -21.136  -2.318 -25.041
    3    H3   MET   1          3H        MET   1 -21.107  -0.923 -24.084
    4    HA   MET   1           HA       MET   1 -18.980  -2.976 -24.194
    5    HB2  MET   1          1HB       MET   1 -19.122  -1.667 -26.262
    6    HB3  MET   1          2HB       MET   1 -19.067  -0.176 -25.333
    7    HG2  MET   1          1HG       MET   1 -16.915  -0.731 -26.370
    8    HG3  MET   1          2HG       MET   1 -16.820  -0.649 -24.611
    9    HE1  MET   1          1HE       MET   1 -14.479  -1.915 -24.646
   10    HE2  MET   1          2HE       MET   1 -14.564  -1.954 -26.407
   11    HE3  MET   1          3HE       MET   1 -14.207  -3.430 -25.508
   12    H    ALA   2           H        ALA   2 -17.280  -2.688 -22.806
   13    HA   ALA   2           HA       ALA   2 -16.132  -2.030 -20.969
   14    HB1  ALA   2          1HB       ALA   2 -15.922   0.345 -20.501
   15    HB2  ALA   2          2HB       ALA   2 -17.305   0.688 -21.540
   16    HB3  ALA   2          3HB       ALA   2 -15.820   0.042 -22.236
   17    H    THR   3           H        THR   3 -18.253  -3.389 -20.285
   18    HA   THR   3           HA       THR   3 -18.961  -2.282 -17.726
   19    HB   THR   3           HB       THR   3 -20.657  -1.288 -19.255
   20    HG1  THR   3           HG1      THR   3 -21.130  -2.767 -17.004
   21   HG21  THR   3          1HG2      THR   3 -22.426  -2.739 -20.165
   22   HG22  THR   3          2HG2      THR   3 -21.516  -4.154 -19.635
   23   HG23  THR   3          3HG2      THR   3 -20.850  -3.090 -20.874
   24    H    LYS   4           H        LYS   4 -17.785  -4.666 -19.272
   25    HA   LYS   4           HA       LYS   4 -19.423  -6.810 -18.109
   26    HB2  LYS   4          1HB       LYS   4 -17.310  -6.985 -20.264
   27    HB3  LYS   4          2HB       LYS   4 -18.290  -8.321 -19.679
   28    HG2  LYS   4          1HG       LYS   4 -19.413  -5.864 -20.999
   29    HG3  LYS   4          2HG       LYS   4 -19.019  -7.354 -21.854
   30    HD2  LYS   4          1HD       LYS   4 -20.618  -8.573 -20.445
   31    HD3  LYS   4          2HD       LYS   4 -21.016  -7.070 -19.606
   32    HE2  LYS   4          1HE       LYS   4 -21.829  -6.101 -21.671
   33    HE3  LYS   4          2HE       LYS   4 -21.355  -7.542 -22.566
   34    HZ1  LYS   4          1HZ       LYS   4 -23.739  -7.464 -22.051
   35    HZ2  LYS   4          2HZ       LYS   4 -23.382  -7.493 -20.401
   36    HZ3  LYS   4          3HZ       LYS   4 -22.983  -8.815 -21.371
   37    H    HIS   5           H        HIS   5 -17.229  -5.051 -16.882
   38    HA   HIS   5           HA       HIS   5 -15.240  -7.059 -16.172
   39    HB2  HIS   5          1HB       HIS   5 -15.533  -4.232 -15.126
   40    HB3  HIS   5          2HB       HIS   5 -14.161  -5.297 -14.868
   41    HD1  HIS   5           HD1      HIS   5 -15.245  -2.606 -16.948
   42    HD2  HIS   5           HD2      HIS   5 -12.867  -5.973 -17.499
   43    HE1  HIS   5           HE1      HIS   5 -13.875  -2.140 -19.003
   44    HE2  HIS   5           HE2      HIS   5 -12.540  -4.235 -19.389
   45    H    GLY   6           H        GLY   6 -18.103  -5.582 -14.937
   46    HA2  GLY   6          1HA       GLY   6 -19.438  -6.826 -13.357
   47    HA3  GLY   6          2HA       GLY   6 -17.946  -7.347 -12.586
   48    H    LYS   7           H        LYS   7 -19.999  -6.251 -11.107
   49    HA   LYS   7           HA       LYS   7 -19.375  -3.467 -10.630
   50    HB2  LYS   7          1HB       LYS   7 -21.035  -3.741  -8.748
   51    HB3  LYS   7          2HB       LYS   7 -21.670  -3.946 -10.373
   52    HG2  LYS   7          1HG       LYS   7 -21.548  -6.384 -10.077
   53    HG3  LYS   7          2HG       LYS   7 -20.964  -6.140  -8.431
   54    HD2  LYS   7          1HD       LYS   7 -23.029  -5.024  -7.832
   55    HD3  LYS   7          2HD       LYS   7 -23.605  -5.147  -9.495
   56    HE2  LYS   7          1HE       LYS   7 -24.642  -6.865  -8.156
   57    HE3  LYS   7          2HE       LYS   7 -23.532  -7.604  -9.307
   58    HZ1  LYS   7          1HZ       LYS   7 -21.906  -7.847  -7.550
   59    HZ2  LYS   7          2HZ       LYS   7 -23.358  -8.584  -7.095
   60    HZ3  LYS   7          3HZ       LYS   7 -22.934  -7.084  -6.446
   61    H    ASN   8           H        ASN   8 -17.830  -6.092 -10.000
   62    HA   ASN   8           HA       ASN   8 -17.002  -5.438  -7.273
   63    HB2  ASN   8          1HB       ASN   8 -15.822  -7.575  -7.288
   64    HB3  ASN   8          2HB       ASN   8 -17.502  -7.804  -7.757
   65   HD21  ASN   8          1HD2      ASN   8 -15.088  -9.416  -8.275
   66   HD22  ASN   8          2HD2      ASN   8 -15.020  -9.606  -9.992
   67    H    SER   9           H        SER   9 -15.995  -5.206 -10.539
   68    HA   SER   9           HA       SER   9 -13.293  -5.256 -10.514
   69    HB2  SER   9          1HB       SER   9 -14.679  -4.940 -12.529
   70    HB3  SER   9          2HB       SER   9 -14.994  -3.277 -12.038
   71    HG   SER   9           HG       SER   9 -13.257  -2.858 -13.137
   72    H    TRP  10           H        TRP  10 -15.242  -2.361  -9.689
   73    HA   TRP  10           HA       TRP  10 -13.123  -0.585  -9.359
   74    HB2  TRP  10          1HB       TRP  10 -14.646   0.849  -8.265
   75    HB3  TRP  10          2HB       TRP  10 -15.654  -0.086  -9.361
   76    HD1  TRP  10           HD1      TRP  10 -17.488  -1.659  -8.283
   77    HE1  TRP  10           HE1      TRP  10 -18.382  -1.945  -5.886
   78    HE3  TRP  10           HE3      TRP  10 -13.830   0.867  -5.765
   79    HZ2  TRP  10           HZ2      TRP  10 -17.624  -1.202  -3.268
   80    HZ3  TRP  10           HZ3      TRP  10 -13.988   1.027  -3.310
   81    HH2  TRP  10           HH2      TRP  10 -15.838   0.002  -2.092
   82    H    LYS  11           H        LYS  11 -14.404  -3.092  -7.401
   83    HA   LYS  11           HA       LYS  11 -13.183  -2.219  -4.941
   84    HB2  LYS  11          1HB       LYS  11 -15.416  -3.593  -5.430
   85    HB3  LYS  11          2HB       LYS  11 -14.307  -4.950  -5.312
   86    HG2  LYS  11          1HG       LYS  11 -13.668  -3.395  -3.139
   87    HG3  LYS  11          2HG       LYS  11 -15.416  -3.262  -3.268
   88    HD2  LYS  11          1HD       LYS  11 -14.784  -5.124  -1.824
   89    HD3  LYS  11          2HD       LYS  11 -15.620  -5.691  -3.270
   90    HE2  LYS  11          1HE       LYS  11 -13.449  -6.252  -4.291
   91    HE3  LYS  11          2HE       LYS  11 -12.634  -5.682  -2.836
   92    HZ1  LYS  11          1HZ       LYS  11 -14.572  -7.929  -2.918
   93    HZ2  LYS  11          2HZ       LYS  11 -13.687  -7.419  -1.569
   94    HZ3  LYS  11          3HZ       LYS  11 -12.892  -8.101  -2.894
   95    H    THR  12           H        THR  12 -12.702  -4.457  -7.524
   96    HA   THR  12           HA       THR  12 -10.554  -5.911  -6.431
   97    HB   THR  12           HB       THR  12 -10.725  -5.405  -9.371
   98    HG1  THR  12           HG1      THR  12 -12.485  -6.827  -9.502
   99   HG21  THR  12          1HG2      THR  12 -10.182  -7.758  -9.447
  100   HG22  THR  12          2HG2      THR  12 -10.377  -7.877  -7.697
  101   HG23  THR  12          3HG2      THR  12  -9.053  -6.920  -8.373
  102    H    LEU  13           H        LEU  13 -10.850  -2.885  -8.170
  103    HA   LEU  13           HA       LEU  13  -8.073  -2.348  -8.467
  104    HB2  LEU  13          1HB       LEU  13  -9.994  -0.135  -7.863
  105    HB3  LEU  13          2HB       LEU  13  -8.677  -0.155  -9.017
  106    HG   LEU  13           HG       LEU  13 -11.418  -1.318  -9.295
  107   HD11  LEU  13          1HD1      LEU  13  -9.959   0.850 -10.797
  108   HD12  LEU  13          2HD1      LEU  13 -11.268   1.074  -9.638
  109   HD13  LEU  13          3HD1      LEU  13 -11.577   0.256 -11.169
  110   HD21  LEU  13          1HD2      LEU  13  -9.830  -2.865 -10.328
  111   HD22  LEU  13          2HD2      LEU  13  -9.073  -1.533 -11.202
  112   HD23  LEU  13          3HD2      LEU  13 -10.732  -2.004 -11.575
  113    H    TYR  14           H        TYR  14 -10.288  -2.320  -5.916
  114    HA   TYR  14           HA       TYR  14  -9.073  -0.160  -4.470
  115    HB2  TYR  14          1HB       TYR  14 -11.600  -0.737  -4.854
  116    HB3  TYR  14          2HB       TYR  14 -11.344  -1.777  -3.456
  117    HD1  TYR  14           HD1      TYR  14 -11.028  -0.877  -1.290
  118    HD2  TYR  14           HD2      TYR  14 -11.311   1.637  -4.700
  119    HE1  TYR  14           HE1      TYR  14 -11.222   1.056   0.193
  120    HE2  TYR  14           HE2      TYR  14 -11.522   3.613  -3.229
  121    HH   TYR  14           HH       TYR  14 -10.861   3.496   0.119
  122    H    LEU  15           H        LEU  15  -9.949  -3.535  -3.845
  123    HA   LEU  15           HA       LEU  15  -8.586  -3.716  -1.386
  124    HB2  LEU  15          1HB       LEU  15  -8.926  -6.058  -1.543
  125    HB3  LEU  15          2HB       LEU  15 -10.307  -5.326  -2.339
  126    HG   LEU  15           HG       LEU  15  -8.538  -5.717  -4.420
  127   HD11  LEU  15          1HD1      LEU  15  -8.410  -8.105  -2.589
  128   HD12  LEU  15          2HD1      LEU  15  -7.066  -7.047  -3.017
  129   HD13  LEU  15          3HD1      LEU  15  -7.831  -8.046  -4.253
  130   HD21  LEU  15          1HD2      LEU  15 -10.920  -6.072  -4.506
  131   HD22  LEU  15          2HD2      LEU  15 -10.776  -7.480  -3.448
  132   HD23  LEU  15          3HD2      LEU  15 -10.076  -7.518  -5.067
  133    H    LYS  16           H        LYS  16  -7.618  -3.717  -4.663
  134    HA   LYS  16           HA       LYS  16  -4.981  -4.778  -4.291
  135    HB2  LYS  16          1HB       LYS  16  -6.087  -4.962  -6.478
  136    HB3  LYS  16          2HB       LYS  16  -6.255  -3.220  -6.556
  137    HG2  LYS  16          1HG       LYS  16  -3.543  -4.455  -6.348
  138    HG3  LYS  16          2HG       LYS  16  -4.376  -4.369  -7.900
  139    HD2  LYS  16          1HD       LYS  16  -4.045  -1.950  -6.142
  140    HD3  LYS  16          2HD       LYS  16  -2.784  -2.449  -7.284
  141    HE2  LYS  16          1HE       LYS  16  -5.652  -1.866  -8.026
  142    HE3  LYS  16          2HE       LYS  16  -4.317  -0.728  -8.203
  143    HZ1  LYS  16          1HZ       LYS  16  -4.553  -3.358  -9.568
  144    HZ2  LYS  16          2HZ       LYS  16  -3.248  -2.295  -9.716
  145    HZ3  LYS  16          3HZ       LYS  16  -4.773  -1.842 -10.284
  146    H    ILE  17           H        ILE  17  -6.582  -1.694  -4.655
  147    HA   ILE  17           HA       ILE  17  -4.426   0.020  -4.892
  148    HB   ILE  17           HB       ILE  17  -7.161   0.273  -4.876
  149   HG12  ILE  17          1HG1      ILE  17  -6.604   2.775  -5.116
  150   HG13  ILE  17          2HG1      ILE  17  -4.928   2.275  -4.874
  151   HG21  ILE  17          1HG2      ILE  17  -6.160   1.860  -2.503
  152   HG22  ILE  17          2HG2      ILE  17  -7.284   0.500  -2.445
  153   HG23  ILE  17          3HG2      ILE  17  -7.754   1.999  -3.248
  154   HD11  ILE  17          1HD1      ILE  17  -5.554   2.471  -7.254
  155   HD12  ILE  17          2HD1      ILE  17  -6.752   1.192  -7.009
  156   HD13  ILE  17          3HD1      ILE  17  -5.035   0.845  -6.806
  157    H    SER  18           H        SER  18  -5.892  -1.374  -2.105
  158    HA   SER  18           HA       SER  18  -4.401   0.336  -0.313
  159    HB2  SER  18          1HB       SER  18  -6.726  -0.334   0.252
  160    HB3  SER  18          2HB       SER  18  -6.219  -2.020   0.303
  161    HG   SER  18           HG       SER  18  -5.199   0.050   1.965
  162    H    PHE  19           H        PHE  19  -4.468  -2.903  -1.533
  163    HA   PHE  19           HA       PHE  19  -2.677  -4.229   0.090
  164    HB2  PHE  19          1HB       PHE  19  -3.619  -5.707  -1.342
  165    HB3  PHE  19          2HB       PHE  19  -3.748  -4.509  -2.628
  166    HD1  PHE  19           HD1      PHE  19  -2.402  -4.635  -4.449
  167    HD2  PHE  19           HD2      PHE  19  -1.218  -6.637  -0.889
  168    HE1  PHE  19           HE1      PHE  19  -0.486  -5.572  -5.632
  169    HE2  PHE  19           HE2      PHE  19   0.707  -7.600  -2.068
  170    HZ   PHE  19           HZ       PHE  19   1.077  -7.076  -4.449
  171    H    LEU  20           H        LEU  20  -1.850  -2.703  -3.080
  172    HA   LEU  20           HA       LEU  20   0.938  -3.136  -2.522
  173    HB2  LEU  20          1HB       LEU  20   1.448  -2.266  -4.616
  174    HB3  LEU  20          2HB       LEU  20  -0.114  -3.017  -4.851
  175    HG   LEU  20           HG       LEU  20   0.344  -0.057  -4.486
  176   HD11  LEU  20          1HD1      LEU  20   1.257  -0.831  -6.594
  177   HD12  LEU  20          2HD1      LEU  20  -0.225   0.083  -6.872
  178   HD13  LEU  20          3HD1      LEU  20  -0.246  -1.679  -6.959
  179   HD21  LEU  20          1HD2      LEU  20  -1.812  -0.459  -3.731
  180   HD22  LEU  20          2HD2      LEU  20  -2.081  -1.745  -4.923
  181   HD23  LEU  20          3HD2      LEU  20  -2.037  -0.052  -5.440
  182    H    GLY  21           H        GLY  21  -1.361  -0.735  -1.920
  183    HA2  GLY  21          1HA       GLY  21   0.350   1.461  -1.400
  184    HA3  GLY  21          2HA       GLY  21  -1.296   1.233  -0.826
  185    H    CYS  22           H        CYS  22  -0.109  -1.453   0.167
  186    HA   CYS  22           HA       CYS  22   0.500  -0.612   2.869
  187    HB2  CYS  22          1HB       CYS  22   0.253  -3.344   1.592
  188    HB3  CYS  22          2HB       CYS  22   0.641  -3.073   3.282
  189    HG   CYS  22           HG       CYS  22  -2.242  -1.826   1.972
  190    H    LYS  23           H        LYS  23   1.831  -2.494   0.269
  191    HA   LYS  23           HA       LYS  23   4.399  -2.984   1.090
  192    HB2  LYS  23          1HB       LYS  23   3.454  -2.098  -1.609
  193    HB3  LYS  23          2HB       LYS  23   4.956  -2.943  -1.281
  194    HG2  LYS  23          1HG       LYS  23   3.757  -4.930  -0.627
  195    HG3  LYS  23          2HG       LYS  23   2.218  -4.081  -0.752
  196    HD2  LYS  23          1HD       LYS  23   2.426  -5.393  -2.714
  197    HD3  LYS  23          2HD       LYS  23   2.744  -3.726  -3.191
  198    HE2  LYS  23          1HE       LYS  23   4.335  -5.199  -4.248
  199    HE3  LYS  23          2HE       LYS  23   5.160  -4.178  -3.072
  200    HZ1  LYS  23          1HZ       LYS  23   4.279  -6.957  -2.528
  201    HZ2  LYS  23          2HZ       LYS  23   5.248  -5.984  -1.539
  202    HZ3  LYS  23          3HZ       LYS  23   5.842  -6.540  -3.022
  203    H    VAL  24           H        VAL  24   2.957  -0.229  -0.377
  204    HA   VAL  24           HA       VAL  24   5.410   1.244  -0.461
  205    HB   VAL  24           HB       VAL  24   2.618   2.185  -0.989
  206   HG11  VAL  24          1HG1      VAL  24   5.265   3.425  -1.693
  207   HG12  VAL  24          2HG1      VAL  24   4.108   4.033  -0.511
  208   HG13  VAL  24          3HG1      VAL  24   3.692   4.015  -2.226
  209   HG21  VAL  24          1HG2      VAL  24   3.294   0.349  -2.444
  210   HG22  VAL  24          2HG2      VAL  24   4.748   1.241  -2.890
  211   HG23  VAL  24          3HG2      VAL  24   3.161   1.860  -3.349
  212    H    VAL  25           H        VAL  25   2.691   0.891   1.600
  213    HA   VAL  25           HA       VAL  25   3.151   3.135   3.265
  214    HB   VAL  25           HB       VAL  25   1.657   0.619   3.515
  215   HG11  VAL  25          1HG1      VAL  25   3.131   0.328   5.462
  216   HG12  VAL  25          2HG1      VAL  25   1.468   0.660   5.948
  217   HG13  VAL  25          3HG1      VAL  25   2.683   1.936   6.032
  218   HG21  VAL  25          1HG2      VAL  25   0.077   2.139   4.618
  219   HG22  VAL  25          2HG2      VAL  25   0.615   2.720   3.042
  220   HG23  VAL  25          3HG2      VAL  25   1.292   3.416   4.521
  221    H    ALA  26           H        ALA  26   4.576  -0.023   2.974
  222    HA   ALA  26           HA       ALA  26   6.117   0.074   5.313
  223    HB1  ALA  26          1HB       ALA  26   7.451  -1.707   4.301
  224    HB2  ALA  26          2HB       ALA  26   6.672  -1.403   2.748
  225    HB3  ALA  26          3HB       ALA  26   5.724  -2.003   4.107
  226    H    LEU  27           H        LEU  27   6.607   1.444   2.093
  227    HA   LEU  27           HA       LEU  27   9.286   2.231   2.918
  228    HB2  LEU  27          1HB       LEU  27   9.641   3.046   0.688
  229    HB3  LEU  27          2HB       LEU  27   8.984   1.425   0.645
  230    HG   LEU  27           HG       LEU  27   6.701   2.696   0.291
  231   HD11  LEU  27          1HD1      LEU  27   6.972   4.722  -1.042
  232   HD12  LEU  27          2HD1      LEU  27   8.713   4.679  -0.765
  233   HD13  LEU  27          3HD1      LEU  27   7.612   4.941   0.587
  234   HD21  LEU  27          1HD2      LEU  27   7.069   2.529  -2.134
  235   HD22  LEU  27          2HD2      LEU  27   7.665   1.115  -1.267
  236   HD23  LEU  27          3HD2      LEU  27   8.797   2.338  -1.845
  237    H    LEU  28           H        LEU  28   6.138   3.565   2.669
  238    HA   LEU  28           HA       LEU  28   7.015   6.316   2.761
  239    HB2  LEU  28          1HB       LEU  28   5.151   6.133   1.465
  240    HB3  LEU  28          2HB       LEU  28   4.462   4.852   2.437
  241    HG   LEU  28           HG       LEU  28   4.409   7.116   4.073
  242   HD11  LEU  28          1HD1      LEU  28   4.821   8.514   2.114
  243   HD12  LEU  28          2HD1      LEU  28   3.188   8.746   2.737
  244   HD13  LEU  28          3HD1      LEU  28   3.448   7.770   1.290
  245   HD21  LEU  28          1HD2      LEU  28   2.824   5.261   3.986
  246   HD22  LEU  28          2HD2      LEU  28   2.243   5.835   2.419
  247   HD23  LEU  28          3HD2      LEU  28   2.006   6.822   3.861
  248    H    LYS  29           H        LYS  29   4.696   4.552   4.859
  249    HA   LYS  29           HA       LYS  29   5.317   6.365   7.037
  250    HB2  LYS  29          1HB       LYS  29   3.340   4.105   6.767
  251    HB3  LYS  29          2HB       LYS  29   3.600   4.958   8.281
  252    HG2  LYS  29          1HG       LYS  29   2.884   7.035   7.271
  253    HG3  LYS  29          2HG       LYS  29   2.699   6.235   5.711
  254    HD2  LYS  29          1HD       LYS  29   0.991   4.758   6.701
  255    HD3  LYS  29          2HD       LYS  29   1.155   5.622   8.229
  256    HE2  LYS  29          1HE       LYS  29   0.276   6.827   5.607
  257    HE3  LYS  29          2HE       LYS  29  -0.785   6.397   6.947
  258    HZ1  LYS  29          1HZ       LYS  29   0.413   8.004   8.327
  259    HZ2  LYS  29          2HZ       LYS  29  -0.299   8.738   6.983
  260    HZ3  LYS  29          3HZ       LYS  29   1.364   8.446   6.998
  261    H    ARG  30           H        ARG  30   5.842   3.143   6.037
  262    HA   ARG  30           HA       ARG  30   7.240   1.512   6.677
  263    HB2  ARG  30          1HB       ARG  30   8.440   3.623   8.477
  264    HB3  ARG  30          2HB       ARG  30   9.135   2.032   8.210
  265    HG2  ARG  30          1HG       ARG  30   9.419   2.546   5.844
  266    HG3  ARG  30          2HG       ARG  30   8.709   4.141   6.104
  267    HD2  ARG  30          1HD       ARG  30  11.138   4.279   6.059
  268    HD3  ARG  30          2HD       ARG  30  10.517   4.690   7.656
  269    HE   ARG  30           HE       ARG  30  11.529   1.986   7.090
  270   HH11  ARG  30          1HH1      ARG  30  11.653   4.962   8.931
  271   HH12  ARG  30          2HH1      ARG  30  12.785   4.343  10.089
  272   HH21  ARG  30          1HH2      ARG  30  13.018   1.169   8.617
  273   HH22  ARG  30          2HH2      ARG  30  13.560   2.192   9.910
  Start of MODEL    2
    1    H1   MET   1          1H        MET   1 -13.918  -5.906 -27.578
    2    H2   MET   1          2H        MET   1 -14.137  -5.366 -25.991
    3    H3   MET   1          3H        MET   1 -14.933  -6.756 -26.528
    4    HA   MET   1           HA       MET   1 -12.867  -7.919 -26.775
    5    HB2  MET   1          1HB       MET   1 -11.544  -5.871 -27.331
    6    HB3  MET   1          2HB       MET   1 -11.605  -5.414 -25.637
    7    HG2  MET   1          1HG       MET   1 -10.410  -7.491 -25.063
    8    HG3  MET   1          2HG       MET   1 -10.293  -7.869 -26.780
    9    HE1  MET   1          1HE       MET   1  -8.244  -4.236 -24.795
   10    HE2  MET   1          2HE       MET   1  -9.303  -5.363 -23.947
   11    HE3  MET   1          3HE       MET   1  -9.969  -4.262 -25.153
   12    H    ALA   2           H        ALA   2 -14.814  -8.370 -25.154
   13    HA   ALA   2           HA       ALA   2 -15.457  -9.141 -23.121
   14    HB1  ALA   2          1HB       ALA   2 -13.744 -10.209 -21.754
   15    HB2  ALA   2          2HB       ALA   2 -12.484  -9.391 -22.679
   16    HB3  ALA   2          3HB       ALA   2 -13.517 -10.586 -23.461
   17    H    THR   3           H        THR   3 -16.285  -7.005 -22.590
   18    HA   THR   3           HA       THR   3 -14.632  -5.588 -20.624
   19    HB   THR   3           HB       THR   3 -15.323  -4.114 -22.383
   20    HG1  THR   3           HG1      THR   3 -15.460  -3.372 -20.137
   21   HG21  THR   3          1HG2      THR   3 -18.162  -4.930 -21.768
   22   HG22  THR   3          2HG2      THR   3 -17.253  -5.362 -23.216
   23   HG23  THR   3          3HG2      THR   3 -17.673  -3.677 -22.907
   24    H    LYS   4           H        LYS   4 -15.068  -5.814 -18.576
   25    HA   LYS   4           HA       LYS   4 -17.770  -6.663 -17.772
   26    HB2  LYS   4          1HB       LYS   4 -16.063  -8.403 -17.404
   27    HB3  LYS   4          2HB       LYS   4 -15.126  -7.275 -16.436
   28    HG2  LYS   4          1HG       LYS   4 -16.858  -7.202 -14.760
   29    HG3  LYS   4          2HG       LYS   4 -17.906  -8.216 -15.755
   30    HD2  LYS   4          1HD       LYS   4 -16.856  -9.547 -14.015
   31    HD3  LYS   4          2HD       LYS   4 -16.262 -10.038 -15.600
   32    HE2  LYS   4          1HE       LYS   4 -14.255  -8.639 -15.241
   33    HE3  LYS   4          2HE       LYS   4 -14.844  -8.255 -13.625
   34    HZ1  LYS   4          1HZ       LYS   4 -14.755 -10.620 -13.089
   35    HZ2  LYS   4          2HZ       LYS   4 -13.236 -10.033 -13.540
   36    HZ3  LYS   4          3HZ       LYS   4 -14.143 -10.958 -14.627
   37    H    HIS   5           H        HIS   5 -18.602  -4.660 -17.369
   38    HA   HIS   5           HA       HIS   5 -17.168  -2.849 -15.587
   39    HB2  HIS   5          1HB       HIS   5 -18.334  -1.982 -17.631
   40    HB3  HIS   5          2HB       HIS   5 -19.864  -2.472 -16.915
   41    HD1  HIS   5           HD1      HIS   5 -21.033  -0.684 -15.679
   42    HD2  HIS   5           HD2      HIS   5 -16.932  -0.019 -15.836
   43    HE1  HIS   5           HE1      HIS   5 -20.668   1.550 -14.587
   44    HE2  HIS   5           HE2      HIS   5 -18.208   2.009 -14.863
   45    H    GLY   6           H        GLY   6 -17.388  -4.646 -13.954
   46    HA2  GLY   6          1HA       GLY   6 -20.020  -5.069 -12.841
   47    HA3  GLY   6          2HA       GLY   6 -18.508  -5.737 -12.240
   48    H    LYS   7           H        LYS   7 -20.584  -4.629 -10.647
   49    HA   LYS   7           HA       LYS   7 -19.695  -2.006  -9.830
   50    HB2  LYS   7          1HB       LYS   7 -22.107  -2.799  -9.792
   51    HB3  LYS   7          2HB       LYS   7 -21.669  -3.804  -8.419
   52    HG2  LYS   7          1HG       LYS   7 -22.713  -1.776  -7.659
   53    HG3  LYS   7          2HG       LYS   7 -21.019  -1.791  -7.175
   54    HD2  LYS   7          1HD       LYS   7 -20.458  -0.324  -9.039
   55    HD3  LYS   7          2HD       LYS   7 -22.139  -0.335  -9.572
   56    HE2  LYS   7          1HE       LYS   7 -21.184   0.681  -6.898
   57    HE3  LYS   7          2HE       LYS   7 -21.510   1.699  -8.299
   58    HZ1  LYS   7          1HZ       LYS   7 -23.800   1.033  -8.250
   59    HZ2  LYS   7          2HZ       LYS   7 -23.369   1.603  -6.719
   60    HZ3  LYS   7          3HZ       LYS   7 -23.512  -0.057  -6.991
   61    H    ASN   8           H        ASN   8 -18.234  -4.724  -9.584
   62    HA   ASN   8           HA       ASN   8 -17.368  -4.352  -6.798
   63    HB2  ASN   8          1HB       ASN   8 -16.718  -6.674  -6.738
   64    HB3  ASN   8          2HB       ASN   8 -18.378  -6.576  -7.318
   65   HD21  ASN   8          1HD2      ASN   8 -18.838  -7.124  -9.443
   66   HD22  ASN   8          2HD2      ASN   8 -17.702  -7.961 -10.446
   67    H    SER   9           H        SER   9 -16.435  -4.412 -10.109
   68    HA   SER   9           HA       SER   9 -13.762  -4.735 -10.169
   69    HB2  SER   9          1HB       SER   9 -15.227  -2.530 -11.624
   70    HB3  SER   9          2HB       SER   9 -13.750  -3.348 -12.136
   71    HG   SER   9           HG       SER   9 -14.904  -4.930 -12.898
   72    H    TRP  10           H        TRP  10 -15.424  -1.745  -9.157
   73    HA   TRP  10           HA       TRP  10 -13.168  -0.106  -8.978
   74    HB2  TRP  10          1HB       TRP  10 -14.528   1.420  -7.786
   75    HB3  TRP  10          2HB       TRP  10 -15.656   0.564  -8.830
   76    HD1  TRP  10           HD1      TRP  10 -17.523  -0.907  -7.658
   77    HE1  TRP  10           HE1      TRP  10 -18.279  -1.181  -5.216
   78    HE3  TRP  10           HE3      TRP  10 -13.586   1.371  -5.350
   79    HZ2  TRP  10           HZ2      TRP  10 -17.326  -0.515  -2.641
   80    HZ3  TRP  10           HZ3      TRP  10 -13.582   1.515  -2.887
   81    HH2  TRP  10           HH2      TRP  10 -15.410   0.582  -1.565
   82    H    LYS  11           H        LYS  11 -14.521  -2.530  -6.956
   83    HA   LYS  11           HA       LYS  11 -13.074  -1.781  -4.583
   84    HB2  LYS  11          1HB       LYS  11 -15.426  -2.980  -4.916
   85    HB3  LYS  11          2HB       LYS  11 -14.420  -4.421  -4.906
   86    HG2  LYS  11          1HG       LYS  11 -13.519  -2.925  -2.766
   87    HG3  LYS  11          2HG       LYS  11 -15.266  -2.740  -2.752
   88    HD2  LYS  11          1HD       LYS  11 -14.597  -4.653  -1.402
   89    HD3  LYS  11          2HD       LYS  11 -15.529  -5.173  -2.807
   90    HE2  LYS  11          1HE       LYS  11 -13.446  -5.750  -3.970
   91    HE3  LYS  11          2HE       LYS  11 -12.523  -5.217  -2.567
   92    HZ1  LYS  11          1HZ       LYS  11 -12.827  -7.640  -2.653
   93    HZ2  LYS  11          2HZ       LYS  11 -14.501  -7.429  -2.538
   94    HZ3  LYS  11          3HZ       LYS  11 -13.500  -6.960  -1.260
   95    H    THR  12           H        THR  12 -12.903  -3.963  -7.228
   96    HA   THR  12           HA       THR  12 -10.792  -5.595  -6.299
   97    HB   THR  12           HB       THR  12 -11.168  -5.021  -9.208
   98    HG1  THR  12           HG1      THR  12 -13.019  -6.271  -7.446
   99   HG21  THR  12          1HG2      THR  12 -10.753  -7.394  -9.374
  100   HG22  THR  12          2HG2      THR  12 -10.808  -7.545  -7.614
  101   HG23  THR  12          3HG2      THR  12  -9.497  -6.639  -8.379
  102    H    LEU  13           H        LEU  13 -11.006  -2.530  -7.998
  103    HA   LEU  13           HA       LEU  13  -8.227  -2.145  -8.449
  104    HB2  LEU  13          1HB       LEU  13  -9.966   0.161  -7.672
  105    HB3  LEU  13          2HB       LEU  13  -8.731   0.088  -8.911
  106    HG   LEU  13           HG       LEU  13 -11.533  -0.946  -9.034
  107   HD11  LEU  13          1HD1      LEU  13 -10.113   1.240 -10.542
  108   HD12  LEU  13          2HD1      LEU  13 -11.321   1.453  -9.276
  109   HD13  LEU  13          3HD1      LEU  13 -11.774   0.716 -10.811
  110   HD21  LEU  13          1HD2      LEU  13 -10.042  -2.483 -10.233
  111   HD22  LEU  13          2HD2      LEU  13  -9.346  -1.130 -11.123
  112   HD23  LEU  13          3HD2      LEU  13 -11.036  -1.570 -11.366
  113    H    TYR  14           H        TYR  14 -10.282  -2.038  -5.763
  114    HA   TYR  14           HA       TYR  14  -8.854   0.008  -4.349
  115    HB2  TYR  14          1HB       TYR  14 -11.430  -0.429  -4.595
  116    HB3  TYR  14          2HB       TYR  14 -11.150  -1.498  -3.224
  117    HD1  TYR  14           HD1      TYR  14 -10.564  -0.639  -1.080
  118    HD2  TYR  14           HD2      TYR  14 -11.103   1.917  -4.428
  119    HE1  TYR  14           HE1      TYR  14 -10.592   1.278   0.430
  120    HE2  TYR  14           HE2      TYR  14 -11.148   3.876  -2.922
  121    HH   TYR  14           HH       TYR  14 -10.152   3.752   0.292
  122    H    LEU  15           H        LEU  15  -9.861  -3.336  -3.758
  123    HA   LEU  15           HA       LEU  15  -8.393  -3.624  -1.363
  124    HB2  LEU  15          1HB       LEU  15  -8.876  -5.933  -1.523
  125    HB3  LEU  15          2HB       LEU  15 -10.248  -5.123  -2.257
  126    HG   LEU  15           HG       LEU  15  -8.567  -5.593  -4.402
  127   HD11  LEU  15          1HD1      LEU  15  -8.553  -8.008  -2.599
  128   HD12  LEU  15          2HD1      LEU  15  -7.151  -7.040  -3.056
  129   HD13  LEU  15          3HD1      LEU  15  -8.017  -7.969  -4.279
  130   HD21  LEU  15          1HD2      LEU  15 -10.877  -7.235  -3.396
  131   HD22  LEU  15          2HD2      LEU  15 -10.243  -7.249  -5.042
  132   HD23  LEU  15          3HD2      LEU  15 -10.980  -5.780  -4.390
  133    H    LYS  16           H        LYS  16  -7.598  -3.611  -4.687
  134    HA   LYS  16           HA       LYS  16  -5.027  -4.840  -4.457
  135    HB2  LYS  16          1HB       LYS  16  -6.277  -4.864  -6.597
  136    HB3  LYS  16          2HB       LYS  16  -6.208  -3.112  -6.645
  137    HG2  LYS  16          1HG       LYS  16  -3.690  -4.721  -6.529
  138    HG3  LYS  16          2HG       LYS  16  -4.534  -4.466  -8.056
  139    HD2  LYS  16          1HD       LYS  16  -3.843  -2.166  -6.247
  140    HD3  LYS  16          2HD       LYS  16  -2.661  -2.817  -7.400
  141    HE2  LYS  16          1HE       LYS  16  -4.443  -2.504  -9.182
  142    HE3  LYS  16          2HE       LYS  16  -5.343  -1.579  -7.983
  143    HZ1  LYS  16          1HZ       LYS  16  -3.500  -0.040  -7.827
  144    HZ2  LYS  16          2HZ       LYS  16  -4.015  -0.163  -9.433
  145    HZ3  LYS  16          3HZ       LYS  16  -2.604  -0.945  -8.937
  146    H    ILE  17           H        ILE  17  -6.402  -1.649  -4.856
  147    HA   ILE  17           HA       ILE  17  -4.182  -0.036  -4.982
  148    HB   ILE  17           HB       ILE  17  -6.924   0.316  -4.882
  149   HG12  ILE  17          1HG1      ILE  17  -6.224   2.815  -5.085
  150   HG13  ILE  17          2HG1      ILE  17  -4.583   2.171  -5.024
  151   HG21  ILE  17          1HG2      ILE  17  -7.339   2.095  -3.233
  152   HG22  ILE  17          2HG2      ILE  17  -5.738   1.825  -2.544
  153   HG23  ILE  17          3HG2      ILE  17  -6.959   0.556  -2.460
  154   HD11  ILE  17          1HD1      ILE  17  -6.705   1.387  -7.010
  155   HD12  ILE  17          2HD1      ILE  17  -5.050   0.778  -6.963
  156   HD13  ILE  17          3HD1      ILE  17  -5.355   2.480  -7.324
  157    H    SER  18           H        SER  18  -5.711  -1.461  -2.238
  158    HA   SER  18           HA       SER  18  -4.186   0.187  -0.426
  159    HB2  SER  18          1HB       SER  18  -6.581  -0.436   0.042
  160    HB3  SER  18          2HB       SER  18  -6.055  -2.104   0.251
  161    HG   SER  18           HG       SER  18  -5.856  -1.453   2.257
  162    H    PHE  19           H        PHE  19  -4.294  -2.993  -1.723
  163    HA   PHE  19           HA       PHE  19  -2.582  -4.387  -0.025
  164    HB2  PHE  19          1HB       PHE  19  -3.568  -5.865  -1.437
  165    HB3  PHE  19          2HB       PHE  19  -3.681  -4.676  -2.736
  166    HD1  PHE  19           HD1      PHE  19  -1.220  -6.882  -1.001
  167    HD2  PHE  19           HD2      PHE  19  -2.315  -4.815  -4.554
  168    HE1  PHE  19           HE1      PHE  19   0.678  -7.903  -2.177
  169    HE2  PHE  19           HE2      PHE  19  -0.431  -5.817  -5.738
  170    HZ   PHE  19           HZ       PHE  19   1.076  -7.383  -4.558
  171    H    LEU  20           H        LEU  20  -1.733  -2.894  -3.200
  172    HA   LEU  20           HA       LEU  20   1.053  -3.377  -2.640
  173    HB2  LEU  20          1HB       LEU  20   1.583  -2.430  -4.714
  174    HB3  LEU  20          2HB       LEU  20   0.051  -3.233  -4.971
  175    HG   LEU  20           HG       LEU  20   0.432  -0.262  -4.613
  176   HD11  LEU  20          1HD1      LEU  20   1.293  -1.071  -6.742
  177   HD12  LEU  20          2HD1      LEU  20  -0.186  -0.143  -6.978
  178   HD13  LEU  20          3HD1      LEU  20  -0.227  -1.905  -7.052
  179   HD21  LEU  20          1HD2      LEU  20  -1.700  -0.675  -3.810
  180   HD22  LEU  20          2HD2      LEU  20  -1.971  -1.998  -4.958
  181   HD23  LEU  20          3HD2      LEU  20  -1.972  -0.322  -5.520
  182    H    GLY  21           H        GLY  21  -1.225  -0.958  -2.025
  183    HA2  GLY  21          1HA       GLY  21   0.505   1.206  -1.423
  184    HA3  GLY  21          2HA       GLY  21  -1.170   1.009  -0.921
  185    H    CYS  22           H        CYS  22  -0.000  -1.725   0.089
  186    HA   CYS  22           HA       CYS  22   0.440  -0.903   2.831
  187    HB2  CYS  22          1HB       CYS  22   0.390  -3.623   1.489
  188    HB3  CYS  22          2HB       CYS  22   0.701  -3.380   3.198
  189    HG   CYS  22           HG       CYS  22  -2.222  -2.569   1.620
  190    H    LYS  23           H        LYS  23   2.000  -2.734   0.320
  191    HA   LYS  23           HA       LYS  23   4.543  -3.037   1.348
  192    HB2  LYS  23          1HB       LYS  23   3.575  -2.540  -1.428
  193    HB3  LYS  23          2HB       LYS  23   5.222  -3.030  -1.058
  194    HG2  LYS  23          1HG       LYS  23   4.407  -5.120  -0.101
  195    HG3  LYS  23          2HG       LYS  23   2.745  -4.626  -0.425
  196    HD2  LYS  23          1HD       LYS  23   3.127  -4.681  -2.791
  197    HD3  LYS  23          2HD       LYS  23   4.855  -4.962  -2.550
  198    HE2  LYS  23          1HE       LYS  23   2.630  -6.833  -1.745
  199    HE3  LYS  23          2HE       LYS  23   3.677  -7.027  -3.148
  200    HZ1  LYS  23          1HZ       LYS  23   5.575  -7.165  -1.626
  201    HZ2  LYS  23          2HZ       LYS  23   4.452  -8.395  -1.348
  202    HZ3  LYS  23          3HZ       LYS  23   4.528  -7.070  -0.303
  203    H    VAL  24           H        VAL  24   3.040  -0.442  -0.353
  204    HA   VAL  24           HA       VAL  24   5.431   1.134  -0.420
  205    HB   VAL  24           HB       VAL  24   2.612   1.916  -1.061
  206   HG11  VAL  24          1HG1      VAL  24   4.018   3.849  -0.582
  207   HG12  VAL  24          2HG1      VAL  24   3.601   3.779  -2.295
  208   HG13  VAL  24          3HG1      VAL  24   5.203   3.276  -1.755
  209   HG21  VAL  24          1HG2      VAL  24   3.208   1.521  -3.373
  210   HG22  VAL  24          2HG2      VAL  24   3.492   0.062  -2.413
  211   HG23  VAL  24          3HG2      VAL  24   4.848   1.086  -2.888
  212    H    VAL  25           H        VAL  25   2.724   0.668   1.611
  213    HA   VAL  25           HA       VAL  25   2.990   3.031   3.171
  214    HB   VAL  25           HB       VAL  25   1.629   0.450   3.527
  215   HG11  VAL  25          1HG1      VAL  25   2.597   1.940   5.971
  216   HG12  VAL  25          2HG1      VAL  25   3.057   0.301   5.505
  217   HG13  VAL  25          3HG1      VAL  25   1.391   0.651   5.968
  218   HG21  VAL  25          1HG2      VAL  25  -0.029   1.953   4.562
  219   HG22  VAL  25          2HG2      VAL  25   0.471   2.456   2.946
  220   HG23  VAL  25          3HG2      VAL  25   1.120   3.279   4.371
  221    H    ALA  26           H        ALA  26   4.599  -0.039   3.062
  222    HA   ALA  26           HA       ALA  26   6.094   0.249   5.414
  223    HB1  ALA  26          1HB       ALA  26   5.832  -1.902   4.292
  224    HB2  ALA  26          2HB       ALA  26   7.535  -1.506   4.517
  225    HB3  ALA  26          3HB       ALA  26   6.787  -1.313   2.933
  226    H    LEU  27           H        LEU  27   6.554   1.519   2.154
  227    HA   LEU  27           HA       LEU  27   9.176   2.485   2.982
  228    HB2  LEU  27          1HB       LEU  27   9.501   3.243   0.719
  229    HB3  LEU  27          2HB       LEU  27   8.987   1.570   0.752
  230    HG   LEU  27           HG       LEU  27   6.609   2.631   0.317
  231   HD11  LEU  27          1HD1      LEU  27   8.481   4.695  -0.836
  232   HD12  LEU  27          2HD1      LEU  27   7.338   4.952   0.481
  233   HD13  LEU  27          3HD1      LEU  27   6.747   4.587  -1.140
  234   HD21  LEU  27          1HD2      LEU  27   8.749   2.314  -1.781
  235   HD22  LEU  27          2HD2      LEU  27   7.013   2.336  -2.087
  236   HD23  LEU  27          3HD2      LEU  27   7.724   1.037  -1.130
  237    H    LEU  28           H        LEU  28   5.957   3.614   2.640
  238    HA   LEU  28           HA       LEU  28   6.652   6.413   2.551
  239    HB2  LEU  28          1HB       LEU  28   4.788   6.002   1.298
  240    HB3  LEU  28          2HB       LEU  28   4.196   4.761   2.381
  241    HG   LEU  28           HG       LEU  28   3.994   7.106   3.856
  242   HD11  LEU  28          1HD1      LEU  28   2.735   8.617   2.423
  243   HD12  LEU  28          2HD1      LEU  28   3.045   7.576   1.034
  244   HD13  LEU  28          3HD1      LEU  28   4.380   8.412   1.824
  245   HD21  LEU  28          1HD2      LEU  28   1.911   5.650   2.238
  246   HD22  LEU  28          2HD2      LEU  28   1.609   6.693   3.628
  247   HD23  LEU  28          3HD2      LEU  28   2.494   5.177   3.836
  248    H    LYS  29           H        LYS  29   4.434   4.677   4.770
  249    HA   LYS  29           HA       LYS  29   5.048   6.590   6.859
  250    HB2  LYS  29          1HB       LYS  29   3.150   4.248   6.743
  251    HB3  LYS  29          2HB       LYS  29   3.409   5.191   8.204
  252    HG2  LYS  29          1HG       LYS  29   2.635   7.199   7.025
  253    HG3  LYS  29          2HG       LYS  29   2.340   6.220   5.588
  254    HD2  LYS  29          1HD       LYS  29   0.728   4.868   6.838
  255    HD3  LYS  29          2HD       LYS  29   1.025   5.842   8.279
  256    HE2  LYS  29          1HE       LYS  29  -0.102   6.841   5.666
  257    HE3  LYS  29          2HE       LYS  29  -1.025   6.530   7.134
  258    HZ1  LYS  29          1HZ       LYS  29   0.324   8.234   8.251
  259    HZ2  LYS  29          2HZ       LYS  29  -0.555   8.859   6.949
  260    HZ3  LYS  29          3HZ       LYS  29   1.102   8.571   6.786
  261    H    ARG  30           H        ARG  30   5.644   3.356   5.962
  262    HA   ARG  30           HA       ARG  30   7.183   1.839   6.560
  263    HB2  ARG  30          1HB       ARG  30   8.307   4.051   8.289
  264    HB3  ARG  30          2HB       ARG  30   9.088   2.497   8.027
  265    HG2  ARG  30          1HG       ARG  30   9.195   2.986   5.615
  266    HG3  ARG  30          2HG       ARG  30   8.481   4.568   5.926
  267    HD2  ARG  30          1HD       ARG  30  11.071   3.584   7.111
  268    HD3  ARG  30          2HD       ARG  30  10.946   4.621   5.690
  269    HE   ARG  30           HE       ARG  30   9.549   5.756   7.876
  270   HH11  ARG  30          1HH1      ARG  30  12.771   5.203   6.653
  271   HH12  ARG  30          2HH1      ARG  30  13.453   6.578   7.459
  272   HH21  ARG  30          1HH2      ARG  30  10.434   7.574   8.944
  273   HH22  ARG  30          2HH2      ARG  30  12.125   7.926   8.770
  Start of MODEL    3
    1    H1   MET   1          1H        MET   1 -16.813 -16.222 -15.413
    2    H2   MET   1          2H        MET   1 -16.178 -14.905 -16.259
    3    H3   MET   1          3H        MET   1 -17.069 -16.083 -17.079
    4    HA   MET   1           HA       MET   1 -19.047 -15.487 -15.863
    5    HB2  MET   1          1HB       MET   1 -17.918 -14.708 -13.821
    6    HB3  MET   1          2HB       MET   1 -17.280 -13.326 -14.696
    7    HG2  MET   1          1HG       MET   1 -19.564 -12.523 -15.071
    8    HG3  MET   1          2HG       MET   1 -20.183 -13.897 -14.157
    9    HE1  MET   1          1HE       MET   1 -20.877 -10.833 -13.529
   10    HE2  MET   1          2HE       MET   1 -20.790 -10.840 -11.769
   11    HE3  MET   1          3HE       MET   1 -21.539 -12.191 -12.619
   12    H    ALA   2           H        ALA   2 -20.135 -14.848 -17.596
   13    HA   ALA   2           HA       ALA   2 -19.068 -12.929 -19.456
   14    HB1  ALA   2          1HB       ALA   2 -20.385 -14.848 -20.228
   15    HB2  ALA   2          2HB       ALA   2 -21.119 -13.321 -20.716
   16    HB3  ALA   2          3HB       ALA   2 -21.790 -14.227 -19.361
   17    H    THR   3           H        THR   3 -20.953 -11.310 -20.262
   18    HA   THR   3           HA       THR   3 -21.790  -9.245 -19.890
   19    HB   THR   3           HB       THR   3 -23.510  -9.067 -18.032
   20    HG1  THR   3           HG1      THR   3 -22.314 -11.226 -17.140
   21   HG21  THR   3          1HG2      THR   3 -24.110  -9.624 -20.323
   22   HG22  THR   3          2HG2      THR   3 -25.109 -10.524 -19.185
   23   HG23  THR   3          3HG2      THR   3 -23.775 -11.326 -20.012
   24    H    LYS   4           H        LYS   4 -19.804  -8.261 -19.473
   25    HA   LYS   4           HA       LYS   4 -18.698  -8.145 -16.829
   26    HB2  LYS   4          1HB       LYS   4 -17.981  -6.399 -19.184
   27    HB3  LYS   4          2HB       LYS   4 -16.988  -6.758 -17.782
   28    HG2  LYS   4          1HG       LYS   4 -17.821  -8.741 -19.887
   29    HG3  LYS   4          2HG       LYS   4 -16.244  -7.961 -19.771
   30    HD2  LYS   4          1HD       LYS   4 -15.944  -9.000 -17.543
   31    HD3  LYS   4          2HD       LYS   4 -17.479  -9.844 -17.763
   32    HE2  LYS   4          1HE       LYS   4 -16.578 -10.916 -19.781
   33    HE3  LYS   4          2HE       LYS   4 -15.040 -10.102 -19.514
   34    HZ1  LYS   4          1HZ       LYS   4 -14.993 -12.370 -18.700
   35    HZ2  LYS   4          2HZ       LYS   4 -16.304 -12.060 -17.675
   36    HZ3  LYS   4          3HZ       LYS   4 -14.823 -11.281 -17.416
   37    H    HIS   5           H        HIS   5 -20.903  -7.339 -16.051
   38    HA   HIS   5           HA       HIS   5 -20.680  -4.427 -15.770
   39    HB2  HIS   5          1HB       HIS   5 -22.483  -4.971 -17.431
   40    HB3  HIS   5          2HB       HIS   5 -23.315  -5.866 -16.166
   41    HD1  HIS   5           HD1      HIS   5 -24.488  -4.492 -14.315
   42    HD2  HIS   5           HD2      HIS   5 -22.645  -2.187 -17.241
   43    HE1  HIS   5           HE1      HIS   5 -25.367  -2.158 -13.991
   44    HE2  HIS   5           HE2      HIS   5 -24.319  -0.803 -15.838
   45    H    GLY   6           H        GLY   6 -19.715  -4.870 -13.765
   46    HA2  GLY   6          1HA       GLY   6 -21.660  -5.460 -11.666
   47    HA3  GLY   6          2HA       GLY   6 -20.222  -6.470 -11.735
   48    H    LYS   7           H        LYS   7 -21.189  -4.532  -9.704
   49    HA   LYS   7           HA       LYS   7 -19.262  -2.374  -9.814
   50    HB2  LYS   7          1HB       LYS   7 -20.230  -1.791  -7.589
   51    HB3  LYS   7          2HB       LYS   7 -21.367  -1.750  -8.926
   52    HG2  LYS   7          1HG       LYS   7 -22.045  -4.095  -8.214
   53    HG3  LYS   7          2HG       LYS   7 -21.131  -3.797  -6.736
   54    HD2  LYS   7          1HD       LYS   7 -23.426  -2.122  -7.749
   55    HD3  LYS   7          2HD       LYS   7 -23.529  -3.325  -6.464
   56    HE2  LYS   7          1HE       LYS   7 -21.935  -2.038  -5.133
   57    HE3  LYS   7          2HE       LYS   7 -21.824  -0.837  -6.420
   58    HZ1  LYS   7          1HZ       LYS   7 -23.330  -0.097  -4.708
   59    HZ2  LYS   7          2HZ       LYS   7 -24.255  -1.504  -4.852
   60    HZ3  LYS   7          3HZ       LYS   7 -24.199  -0.398  -6.128
   61    H    ASN   8           H        ASN   8 -17.584  -4.079  -9.913
   62    HA   ASN   8           HA       ASN   8 -16.615  -4.722  -7.244
   63    HB2  ASN   8          1HB       ASN   8 -15.973  -7.042  -8.097
   64    HB3  ASN   8          2HB       ASN   8 -17.665  -6.760  -7.716
   65   HD21  ASN   8          1HD2      ASN   8 -18.429  -8.362  -9.013
   66   HD22  ASN   8          2HD2      ASN   8 -18.365  -8.307 -10.741
   67    H    SER   9           H        SER   9 -15.862  -4.608 -10.700
   68    HA   SER   9           HA       SER   9 -13.169  -4.830 -10.738
   69    HB2  SER   9          1HB       SER   9 -14.553  -4.441 -12.737
   70    HB3  SER   9          2HB       SER   9 -14.794  -2.767 -12.246
   71    HG   SER   9           HG       SER   9 -12.193  -3.806 -12.573
   72    H    TRP  10           H        TRP  10 -14.951  -1.864  -9.860
   73    HA   TRP  10           HA       TRP  10 -12.750  -0.178  -9.512
   74    HB2  TRP  10          1HB       TRP  10 -14.223   1.300  -8.387
   75    HB3  TRP  10          2HB       TRP  10 -15.259   0.437  -9.518
   76    HD1  TRP  10           HD1      TRP  10 -17.157  -1.110  -8.490
   77    HE1  TRP  10           HE1      TRP  10 -18.058  -1.455  -6.108
   78    HE3  TRP  10           HE3      TRP  10 -13.450   1.247  -5.891
   79    HZ2  TRP  10           HZ2      TRP  10 -17.293  -0.805  -3.467
   80    HZ3  TRP  10           HZ3      TRP  10 -13.611   1.341  -3.433
   81    HH2  TRP  10           HH2      TRP  10 -15.489   0.324  -2.252
   82    H    LYS  11           H        LYS  11 -14.162  -2.661  -7.624
   83    HA   LYS  11           HA       LYS  11 -12.941  -1.908  -5.123
   84    HB2  LYS  11          1HB       LYS  11 -15.233  -3.121  -5.664
   85    HB3  LYS  11          2HB       LYS  11 -14.222  -4.557  -5.638
   86    HG2  LYS  11          1HG       LYS  11 -13.479  -3.215  -3.370
   87    HG3  LYS  11          2HG       LYS  11 -15.211  -2.931  -3.482
   88    HD2  LYS  11          1HD       LYS  11 -14.807  -4.932  -2.194
   89    HD3  LYS  11          2HD       LYS  11 -15.572  -5.357  -3.725
   90    HE2  LYS  11          1HE       LYS  11 -13.344  -5.926  -4.641
   91    HE3  LYS  11          2HE       LYS  11 -12.635  -5.559  -3.070
   92    HZ1  LYS  11          1HZ       LYS  11 -13.937  -7.336  -2.095
   93    HZ2  LYS  11          2HZ       LYS  11 -13.001  -7.937  -3.370
   94    HZ3  LYS  11          3HZ       LYS  11 -14.656  -7.673  -3.588
   95    H    THR  12           H        THR  12 -12.502  -4.061  -7.770
   96    HA   THR  12           HA       THR  12 -10.441  -5.657  -6.681
   97    HB   THR  12           HB       THR  12 -10.588  -5.070  -9.609
   98    HG1  THR  12           HG1      THR  12 -12.611  -6.162  -7.997
   99   HG21  THR  12          1HG2      THR  12  -8.952  -6.652  -8.660
  100   HG22  THR  12          2HG2      THR  12 -10.110  -7.433  -9.750
  101   HG23  THR  12          3HG2      THR  12 -10.295  -7.593  -8.001
  102    H    LEU  13           H        LEU  13 -10.585  -2.583  -8.357
  103    HA   LEU  13           HA       LEU  13  -7.791  -2.123  -8.577
  104    HB2  LEU  13          1HB       LEU  13  -9.660   0.120  -7.908
  105    HB3  LEU  13          2HB       LEU  13  -8.327   0.107  -9.045
  106    HG   LEU  13           HG       LEU  13 -11.080  -1.003  -9.407
  107   HD11  LEU  13          1HD1      LEU  13 -10.900   1.408  -9.604
  108   HD12  LEU  13          2HD1      LEU  13 -11.231   0.676 -11.175
  109   HD13  LEU  13          3HD1      LEU  13  -9.603   1.229 -10.784
  110   HD21  LEU  13          1HD2      LEU  13  -8.734  -1.100 -11.323
  111   HD22  LEU  13          2HD2      LEU  13 -10.385  -1.594 -11.697
  112   HD23  LEU  13          3HD2      LEU  13  -9.448  -2.486 -10.499
  113    H    TYR  14           H        TYR  14 -10.051  -2.144  -6.063
  114    HA   TYR  14           HA       TYR  14  -8.812  -0.069  -4.512
  115    HB2  TYR  14          1HB       TYR  14 -11.338  -0.536  -4.993
  116    HB3  TYR  14          2HB       TYR  14 -11.170  -1.651  -3.642
  117    HD1  TYR  14           HD1      TYR  14 -11.013   1.808  -4.714
  118    HD2  TYR  14           HD2      TYR  14 -10.864  -0.876  -1.429
  119    HE1  TYR  14           HE1      TYR  14 -11.214   3.716  -3.148
  120    HE2  TYR  14           HE2      TYR  14 -11.059   0.982   0.143
  121    HH   TYR  14           HH       TYR  14 -11.960   4.120  -0.810
  122    H    LEU  15           H        LEU  15  -9.791  -3.435  -4.049
  123    HA   LEU  15           HA       LEU  15  -8.510  -3.772  -1.566
  124    HB2  LEU  15          1HB       LEU  15  -8.843  -6.115  -1.895
  125    HB3  LEU  15          2HB       LEU  15 -10.227  -5.298  -2.598
  126    HG   LEU  15           HG       LEU  15  -8.542  -5.541  -4.754
  127   HD11  LEU  15          1HD1      LEU  15  -6.991  -6.951  -3.535
  128   HD12  LEU  15          2HD1      LEU  15  -7.812  -7.876  -4.792
  129   HD13  LEU  15          3HD1      LEU  15  -8.299  -8.051  -3.106
  130   HD21  LEU  15          1HD2      LEU  15 -10.732  -7.385  -3.820
  131   HD22  LEU  15          2HD2      LEU  15 -10.082  -7.333  -5.458
  132   HD23  LEU  15          3HD2      LEU  15 -10.912  -5.921  -4.794
  133    H    LYS  16           H        LYS  16  -7.453  -3.657  -4.823
  134    HA   LYS  16           HA       LYS  16  -4.855  -4.785  -4.408
  135    HB2  LYS  16          1HB       LYS  16  -5.903  -4.840  -6.635
  136    HB3  LYS  16          2HB       LYS  16  -5.971  -3.087  -6.652
  137    HG2  LYS  16          1HG       LYS  16  -3.339  -4.462  -6.353
  138    HG3  LYS  16          2HG       LYS  16  -4.090  -4.315  -7.940
  139    HD2  LYS  16          1HD       LYS  16  -3.726  -1.941  -6.127
  140    HD3  LYS  16          2HD       LYS  16  -2.444  -2.480  -7.230
  141    HE2  LYS  16          1HE       LYS  16  -4.234  -2.367  -9.064
  142    HE3  LYS  16          2HE       LYS  16  -5.187  -1.450  -7.900
  143    HZ1  LYS  16          1HZ       LYS  16  -2.500  -0.718  -8.926
  144    HZ2  LYS  16          2HZ       LYS  16  -3.361   0.155  -7.762
  145    HZ3  LYS  16          3HZ       LYS  16  -3.963   0.024  -9.336
  146    H    ILE  17           H        ILE  17  -6.327  -1.637  -4.811
  147    HA   ILE  17           HA       ILE  17  -4.149   0.042  -4.799
  148    HB   ILE  17           HB       ILE  17  -6.893   0.326  -4.854
  149   HG12  ILE  17          1HG1      ILE  17  -6.285   2.820  -5.012
  150   HG13  ILE  17          2HG1      ILE  17  -4.625   2.284  -4.749
  151   HG21  ILE  17          1HG2      ILE  17  -7.054   0.493  -2.415
  152   HG22  ILE  17          2HG2      ILE  17  -7.482   2.019  -3.189
  153   HG23  ILE  17          3HG2      ILE  17  -5.904   1.832  -2.423
  154   HD11  ILE  17          1HD1      ILE  17  -6.432   1.344  -6.966
  155   HD12  ILE  17          2HD1      ILE  17  -4.746   0.884  -6.722
  156   HD13  ILE  17          3HD1      ILE  17  -5.155   2.552  -7.128
  157    H    SER  18           H        SER  18  -5.773  -1.496  -2.182
  158    HA   SER  18           HA       SER  18  -4.432   0.152  -0.230
  159    HB2  SER  18          1HB       SER  18  -6.219  -2.251   0.252
  160    HB3  SER  18          2HB       SER  18  -5.790  -0.999   1.413
  161    HG   SER  18           HG       SER  18  -7.382  -0.712  -0.923
  162    H    PHE  19           H        PHE  19  -4.377  -3.020  -1.573
  163    HA   PHE  19           HA       PHE  19  -2.651  -4.385   0.117
  164    HB2  PHE  19          1HB       PHE  19  -3.510  -5.857  -1.378
  165    HB3  PHE  19          2HB       PHE  19  -3.667  -4.619  -2.623
  166    HD1  PHE  19           HD1      PHE  19  -2.348  -4.713  -4.465
  167    HD2  PHE  19           HD2      PHE  19  -1.038  -6.673  -0.925
  168    HE1  PHE  19           HE1      PHE  19  -0.400  -5.558  -5.671
  169    HE2  PHE  19           HE2      PHE  19   0.915  -7.543  -2.124
  170    HZ   PHE  19           HZ       PHE  19   1.242  -6.997  -4.507
  171    H    LEU  20           H        LEU  20  -1.739  -2.805  -2.999
  172    HA   LEU  20           HA       LEU  20   1.030  -3.195  -2.355
  173    HB2  LEU  20          1HB       LEU  20   1.581  -2.280  -4.408
  174    HB3  LEU  20          2HB       LEU  20   0.011  -2.988  -4.714
  175    HG   LEU  20           HG       LEU  20   0.468  -0.059  -4.165
  176   HD11  LEU  20          1HD1      LEU  20   0.104   0.258  -6.558
  177   HD12  LEU  20          2HD1      LEU  20   0.034  -1.489  -6.782
  178   HD13  LEU  20          3HD1      LEU  20   1.534  -0.727  -6.255
  179   HD21  LEU  20          1HD2      LEU  20  -1.734  -0.498  -3.603
  180   HD22  LEU  20          2HD2      LEU  20  -1.909  -1.719  -4.875
  181   HD23  LEU  20          3HD2      LEU  20  -1.838  -0.003  -5.298
  182    H    GLY  21           H        GLY  21  -1.340  -0.832  -1.790
  183    HA2  GLY  21          1HA       GLY  21   0.300   1.380  -1.167
  184    HA3  GLY  21          2HA       GLY  21  -1.352   1.103  -0.634
  185    H    CYS  22           H        CYS  22  -0.117  -1.569   0.340
  186    HA   CYS  22           HA       CYS  22   0.486  -0.757   3.057
  187    HB2  CYS  22          1HB       CYS  22   0.294  -3.458   1.700
  188    HB3  CYS  22          2HB       CYS  22   0.705  -3.237   3.391
  189    HG   CYS  22           HG       CYS  22  -2.249  -2.115   2.093
  190    H    LYS  23           H        LYS  23   1.853  -2.588   0.445
  191    HA   LYS  23           HA       LYS  23   4.450  -2.967   1.289
  192    HB2  LYS  23          1HB       LYS  23   3.338  -2.387  -1.424
  193    HB3  LYS  23          2HB       LYS  23   4.946  -3.032  -1.135
  194    HG2  LYS  23          1HG       LYS  23   3.961  -5.038  -0.127
  195    HG3  LYS  23          2HG       LYS  23   2.350  -4.385  -0.414
  196    HD2  LYS  23          1HD       LYS  23   2.927  -6.012  -2.124
  197    HD3  LYS  23          2HD       LYS  23   2.789  -4.400  -2.829
  198    HE2  LYS  23          1HE       LYS  23   4.728  -5.645  -3.687
  199    HE3  LYS  23          2HE       LYS  23   5.189  -4.162  -2.855
  200    HZ1  LYS  23          1HZ       LYS  23   5.261  -6.873  -1.639
  201    HZ2  LYS  23          2HZ       LYS  23   5.804  -5.438  -0.925
  202    HZ3  LYS  23          3HZ       LYS  23   6.602  -6.065  -2.278
  203    H    VAL  24           H        VAL  24   2.901  -0.344  -0.306
  204    HA   VAL  24           HA       VAL  24   5.305   1.200  -0.527
  205    HB   VAL  24           HB       VAL  24   2.462   2.009  -0.998
  206   HG11  VAL  24          1HG1      VAL  24   3.864   3.940  -0.605
  207   HG12  VAL  24          2HG1      VAL  24   3.413   3.854  -2.308
  208   HG13  VAL  24          3HG1      VAL  24   5.024   3.358  -1.794
  209   HG21  VAL  24          1HG2      VAL  24   2.894   1.604  -3.334
  210   HG22  VAL  24          2HG2      VAL  24   3.275   0.148  -2.406
  211   HG23  VAL  24          3HG2      VAL  24   4.573   1.199  -2.977
  212    H    VAL  25           H        VAL  25   2.685   0.803   1.646
  213    HA   VAL  25           HA       VAL  25   3.129   3.114   3.228
  214    HB   VAL  25           HB       VAL  25   1.725   0.564   3.625
  215   HG11  VAL  25          1HG1      VAL  25   2.898   1.966   6.031
  216   HG12  VAL  25          2HG1      VAL  25   3.288   0.333   5.490
  217   HG13  VAL  25          3HG1      VAL  25   1.666   0.703   6.076
  218   HG21  VAL  25          1HG2      VAL  25   0.191   2.087   4.821
  219   HG22  VAL  25          2HG2      VAL  25   0.572   2.600   3.179
  220   HG23  VAL  25          3HG2      VAL  25   1.353   3.387   4.557
  221    H    ALA  26           H        ALA  26   4.622  -0.024   3.005
  222    HA   ALA  26           HA       ALA  26   6.289   0.199   5.239
  223    HB1  ALA  26          1HB       ALA  26   7.601  -1.595   4.246
  224    HB2  ALA  26          2HB       ALA  26   6.782  -1.349   2.704
  225    HB3  ALA  26          3HB       ALA  26   5.874  -1.924   4.102
  226    H    LEU  27           H        LEU  27   6.578   1.502   1.976
  227    HA   LEU  27           HA       LEU  27   9.284   2.364   2.632
  228    HB2  LEU  27          1HB       LEU  27   9.464   3.178   0.376
  229    HB3  LEU  27          2HB       LEU  27   8.872   1.532   0.394
  230    HG   LEU  27           HG       LEU  27   6.524   2.691   0.165
  231   HD11  LEU  27          1HD1      LEU  27   6.624   4.718  -1.197
  232   HD12  LEU  27          2HD1      LEU  27   8.375   4.764  -0.996
  233   HD13  LEU  27          3HD1      LEU  27   7.323   4.977   0.402
  234   HD21  LEU  27          1HD2      LEU  27   6.749   2.518  -2.271
  235   HD22  LEU  27          2HD2      LEU  27   7.492   1.151  -1.442
  236   HD23  LEU  27          3HD2      LEU  27   8.501   2.440  -2.095
  237    H    LEU  28           H        LEU  28   6.084   3.611   2.567
  238    HA   LEU  28           HA       LEU  28   6.879   6.388   2.555
  239    HB2  LEU  28          1HB       LEU  28   4.932   6.089   1.397
  240    HB3  LEU  28          2HB       LEU  28   4.360   4.827   2.464
  241    HG   LEU  28           HG       LEU  28   4.318   7.109   4.041
  242   HD11  LEU  28          1HD1      LEU  28   3.028   8.717   2.733
  243   HD12  LEU  28          2HD1      LEU  28   3.270   7.739   1.286
  244   HD13  LEU  28          3HD1      LEU  28   4.649   8.506   2.073
  245   HD21  LEU  28          1HD2      LEU  28   2.108   5.791   2.473
  246   HD22  LEU  28          2HD2      LEU  28   1.905   6.802   3.905
  247   HD23  LEU  28          3HD2      LEU  28   2.740   5.249   4.028
  248    H    LYS  29           H        LYS  29   4.728   4.642   4.825
  249    HA   LYS  29           HA       LYS  29   5.560   6.415   6.969
  250    HB2  LYS  29          1HB       LYS  29   3.488   4.225   6.828
  251    HB3  LYS  29          2HB       LYS  29   3.856   5.106   8.305
  252    HG2  LYS  29          1HG       LYS  29   3.140   7.171   7.327
  253    HG3  LYS  29          2HG       LYS  29   2.938   6.405   5.753
  254    HD2  LYS  29          1HD       LYS  29   1.172   4.975   6.703
  255    HD3  LYS  29          2HD       LYS  29   1.357   5.804   8.251
  256    HE2  LYS  29          1HE       LYS  29   0.718   7.914   7.220
  257    HE3  LYS  29          2HE       LYS  29   0.593   7.127   5.648
  258    HZ1  LYS  29          1HZ       LYS  29  -1.573   7.395   6.642
  259    HZ2  LYS  29          2HZ       LYS  29  -1.090   6.551   8.024
  260    HZ3  LYS  29          3HZ       LYS  29  -1.195   5.750   6.539
  261    H    ARG  30           H        ARG  30   5.968   3.231   5.846
  262    HA   ARG  30           HA       ARG  30   7.540   1.672   6.229
  263    HB2  ARG  30          1HB       ARG  30   8.658   3.665   8.202
  264    HB3  ARG  30          2HB       ARG  30   9.428   2.135   7.807
  265    HG2  ARG  30          1HG       ARG  30   9.690   2.827   5.499
  266    HG3  ARG  30          2HG       ARG  30   8.838   4.335   5.836
  267    HD2  ARG  30          1HD       ARG  30  10.585   5.045   7.328
  268    HD3  ARG  30          2HD       ARG  30  11.401   3.491   7.174
  269    HE   ARG  30           HE       ARG  30  11.230   4.471   4.616
  270   HH11  ARG  30          1HH1      ARG  30  12.577   5.617   7.633
  271   HH12  ARG  30          2HH1      ARG  30  13.895   6.454   6.879
  272   HH21  ARG  30          1HH2      ARG  30  12.954   5.585   3.608
  273   HH22  ARG  30          2HH2      ARG  30  14.104   6.444   4.583
  Start of MODEL    4
    1    H1   MET   1          1H        MET   1 -13.623 -17.250 -10.100
    2    H2   MET   1          2H        MET   1 -14.696 -16.342 -11.037
    3    H3   MET   1          3H        MET   1 -14.818 -18.025 -11.006
    4    HA   MET   1           HA       MET   1 -15.444 -18.004  -8.708
    5    HB2  MET   1          1HB       MET   1 -15.117 -15.017  -8.998
    6    HB3  MET   1          2HB       MET   1 -15.961 -15.773  -7.655
    7    HG2  MET   1          1HG       MET   1 -13.897 -16.972  -7.064
    8    HG3  MET   1          2HG       MET   1 -13.062 -16.141  -8.374
    9    HE1  MET   1          1HE       MET   1 -11.234 -15.385  -6.581
   10    HE2  MET   1          2HE       MET   1 -12.135 -16.157  -5.277
   11    HE3  MET   1          3HE       MET   1 -11.615 -14.480  -5.116
   12    H    ALA   2           H        ALA   2 -16.479 -17.588 -11.578
   13    HA   ALA   2           HA       ALA   2 -18.474 -17.598 -12.629
   14    HB1  ALA   2          1HB       ALA   2 -19.025 -19.281 -10.946
   15    HB2  ALA   2          2HB       ALA   2 -20.436 -18.322 -11.388
   16    HB3  ALA   2          3HB       ALA   2 -19.603 -18.014  -9.865
   17    H    THR   3           H        THR   3 -17.393 -15.035 -11.505
   18    HA   THR   3           HA       THR   3 -19.743 -13.464 -10.927
   19    HB   THR   3           HB       THR   3 -16.977 -12.439 -11.588
   20    HG1  THR   3           HG1      THR   3 -18.032 -13.624  -9.262
   21   HG21  THR   3          1HG2      THR   3 -18.779 -10.765 -11.567
   22   HG22  THR   3          2HG2      THR   3 -17.656 -10.525 -10.228
   23   HG23  THR   3          3HG2      THR   3 -19.226 -11.275  -9.939
   24    H    LYS   4           H        LYS   4 -21.074 -12.745 -12.436
   25    HA   LYS   4           HA       LYS   4 -20.213 -12.855 -15.227
   26    HB2  LYS   4          1HB       LYS   4 -22.976 -12.635 -14.030
   27    HB3  LYS   4          2HB       LYS   4 -22.616 -12.815 -15.742
   28    HG2  LYS   4          1HG       LYS   4 -21.711 -14.999 -15.390
   29    HG3  LYS   4          2HG       LYS   4 -21.834 -14.814 -13.638
   30    HD2  LYS   4          1HD       LYS   4 -24.257 -14.669 -13.825
   31    HD3  LYS   4          2HD       LYS   4 -24.136 -14.848 -15.575
   32    HE2  LYS   4          1HE       LYS   4 -24.730 -16.959 -14.439
   33    HE3  LYS   4          2HE       LYS   4 -23.210 -17.066 -15.326
   34    HZ1  LYS   4          1HZ       LYS   4 -23.449 -16.625 -12.398
   35    HZ2  LYS   4          2HZ       LYS   4 -22.008 -16.803 -13.265
   36    HZ3  LYS   4          3HZ       LYS   4 -23.081 -18.100 -13.135
   37    H    HIS   5           H        HIS   5 -19.024 -10.929 -15.145
   38    HA   HIS   5           HA       HIS   5 -18.646  -8.701 -15.440
   39    HB2  HIS   5          1HB       HIS   5 -21.411  -8.959 -16.621
   40    HB3  HIS   5          2HB       HIS   5 -20.491  -7.460 -16.683
   41    HD1  HIS   5           HD1      HIS   5 -19.153  -7.178 -18.735
   42    HD2  HIS   5           HD2      HIS   5 -19.837 -11.185 -17.879
   43    HE1  HIS   5           HE1      HIS   5 -18.148  -8.458 -20.647
   44    HE2  HIS   5           HE2      HIS   5 -18.420 -10.877 -20.019
   45    H    GLY   6           H        GLY   6 -18.950  -8.956 -12.919
   46    HA2  GLY   6          1HA       GLY   6 -21.224  -7.411 -11.947
   47    HA3  GLY   6          2HA       GLY   6 -20.043  -8.256 -10.960
   48    H    LYS   7           H        LYS   7 -21.033  -5.484 -10.762
   49    HA   LYS   7           HA       LYS   7 -18.817  -3.820 -11.524
   50    HB2  LYS   7          1HB       LYS   7 -19.915  -2.161 -10.012
   51    HB3  LYS   7          2HB       LYS   7 -20.850  -2.652 -11.418
   52    HG2  LYS   7          1HG       LYS   7 -22.155  -4.163  -9.981
   53    HG3  LYS   7          2HG       LYS   7 -21.217  -3.626  -8.587
   54    HD2  LYS   7          1HD       LYS   7 -21.999  -1.316  -8.998
   55    HD3  LYS   7          2HD       LYS   7 -23.002  -1.920 -10.317
   56    HE2  LYS   7          1HE       LYS   7 -24.333  -1.638  -8.312
   57    HE3  LYS   7          2HE       LYS   7 -24.209  -3.347  -8.723
   58    HZ1  LYS   7          1HZ       LYS   7 -23.905  -2.985  -6.358
   59    HZ2  LYS   7          2HZ       LYS   7 -22.608  -1.944  -6.654
   60    HZ3  LYS   7          3HZ       LYS   7 -22.482  -3.583  -7.047
   61    H    ASN   8           H        ASN   8 -17.437  -5.476 -10.432
   62    HA   ASN   8           HA       ASN   8 -16.998  -4.725  -7.625
   63    HB2  ASN   8          1HB       ASN   8 -16.805  -7.404  -8.963
   64    HB3  ASN   8          2HB       ASN   8 -16.013  -7.077  -7.428
   65   HD21  ASN   8          1HD2      ASN   8 -17.208  -8.532  -6.275
   66   HD22  ASN   8          2HD2      ASN   8 -18.893  -8.323  -5.938
   67    H    SER   9           H        SER   9 -15.686  -5.090 -10.762
   68    HA   SER   9           HA       SER   9 -13.005  -5.454 -10.343
   69    HB2  SER   9          1HB       SER   9 -14.294  -3.672 -12.418
   70    HB3  SER   9          2HB       SER   9 -12.672  -4.360 -12.500
   71    HG   SER   9           HG       SER   9 -14.807  -5.456 -13.432
   72    H    TRP  10           H        TRP  10 -14.849  -2.433 -10.009
   73    HA   TRP  10           HA       TRP  10 -12.689  -0.665  -9.758
   74    HB2  TRP  10          1HB       TRP  10 -14.228   0.903  -8.882
   75    HB3  TRP  10          2HB       TRP  10 -15.203  -0.099  -9.950
   76    HD1  TRP  10           HD1      TRP  10 -17.149  -1.506  -8.847
   77    HE1  TRP  10           HE1      TRP  10 -18.166  -1.588  -6.492
   78    HE3  TRP  10           HE3      TRP  10 -13.541   1.102  -6.334
   79    HZ2  TRP  10           HZ2      TRP  10 -17.528  -0.665  -3.904
   80    HZ3  TRP  10           HZ3      TRP  10 -13.826   1.456  -3.911
   81    HH2  TRP  10           HH2      TRP  10 -15.771   0.580  -2.723
   82    H    LYS  11           H        LYS  11 -14.214  -2.909  -7.655
   83    HA   LYS  11           HA       LYS  11 -13.064  -1.914  -5.213
   84    HB2  LYS  11          1HB       LYS  11 -15.327  -3.217  -5.704
   85    HB3  LYS  11          2HB       LYS  11 -14.296  -4.621  -5.479
   86    HG2  LYS  11          1HG       LYS  11 -13.688  -2.948  -3.362
   87    HG3  LYS  11          2HG       LYS  11 -15.430  -2.832  -3.566
   88    HD2  LYS  11          1HD       LYS  11 -14.867  -4.620  -2.007
   89    HD3  LYS  11          2HD       LYS  11 -15.616  -5.270  -3.467
   90    HE2  LYS  11          1HE       LYS  11 -13.366  -5.807  -4.341
   91    HE3  LYS  11          2HE       LYS  11 -12.668  -5.218  -2.835
   92    HZ1  LYS  11          1HZ       LYS  11 -14.571  -7.485  -3.056
   93    HZ2  LYS  11          2HZ       LYS  11 -13.828  -6.946  -1.638
   94    HZ3  LYS  11          3HZ       LYS  11 -12.900  -7.636  -2.869
   95    H    THR  12           H        THR  12 -12.502  -4.254  -7.638
   96    HA   THR  12           HA       THR  12 -10.484  -5.755  -6.341
   97    HB   THR  12           HB       THR  12 -10.549  -5.405  -9.313
   98    HG1  THR  12           HG1      THR  12 -12.626  -6.261  -7.674
   99   HG21  THR  12          1HG2      THR  12 -10.103  -7.793  -9.247
  100   HG22  THR  12          2HG2      THR  12 -10.282  -7.787  -7.491
  101   HG23  THR  12          3HG2      THR  12  -8.939  -6.921  -8.243
  102    H    LEU  13           H        LEU  13 -10.544  -2.882  -8.386
  103    HA   LEU  13           HA       LEU  13  -7.765  -2.399  -8.514
  104    HB2  LEU  13          1HB       LEU  13  -9.687  -0.136  -8.112
  105    HB3  LEU  13          2HB       LEU  13  -8.290  -0.209  -9.167
  106    HG   LEU  13           HG       LEU  13 -11.013  -1.354  -9.589
  107   HD11  LEU  13          1HD1      LEU  13 -10.984   0.109 -11.563
  108   HD12  LEU  13          2HD1      LEU  13  -9.399   0.706 -11.078
  109   HD13  LEU  13          3HD1      LEU  13 -10.803   1.002 -10.054
  110   HD21  LEU  13          1HD2      LEU  13  -8.543  -1.722 -11.303
  111   HD22  LEU  13          2HD2      LEU  13 -10.180  -2.183 -11.767
  112   HD23  LEU  13          3HD2      LEU  13  -9.391  -2.987 -10.412
  113    H    TYR  14           H        TYR  14 -10.084  -2.226  -6.069
  114    HA   TYR  14           HA       TYR  14  -8.905  -0.015  -4.672
  115    HB2  TYR  14          1HB       TYR  14 -11.410  -0.561  -5.156
  116    HB3  TYR  14          2HB       TYR  14 -11.257  -1.550  -3.708
  117    HD1  TYR  14           HD1      TYR  14 -10.874  -0.556  -1.573
  118    HD2  TYR  14           HD2      TYR  14 -11.246   1.777  -5.099
  119    HE1  TYR  14           HE1      TYR  14 -11.116   1.431  -0.183
  120    HE2  TYR  14           HE2      TYR  14 -11.511   3.815  -3.722
  121    HH   TYR  14           HH       TYR  14 -10.817   3.893  -0.394
  122    H    LEU  15           H        LEU  15  -9.808  -3.364  -4.021
  123    HA   LEU  15           HA       LEU  15  -8.564  -3.472  -1.487
  124    HB2  LEU  15          1HB       LEU  15  -8.874  -5.847  -1.639
  125    HB3  LEU  15          2HB       LEU  15 -10.273  -5.076  -2.365
  126    HG   LEU  15           HG       LEU  15  -8.660  -5.451  -4.541
  127   HD11  LEU  15          1HD1      LEU  15  -8.336  -7.873  -2.780
  128   HD12  LEU  15          2HD1      LEU  15  -7.053  -6.751  -3.234
  129   HD13  LEU  15          3HD1      LEU  15  -7.844  -7.734  -4.467
  130   HD21  LEU  15          1HD2      LEU  15 -10.181  -7.318  -5.061
  131   HD22  LEU  15          2HD2      LEU  15 -11.011  -5.874  -4.476
  132   HD23  LEU  15          3HD2      LEU  15 -10.775  -7.256  -3.402
  133    H    LYS  16           H        LYS  16  -7.493  -3.598  -4.738
  134    HA   LYS  16           HA       LYS  16  -4.888  -4.687  -4.223
  135    HB2  LYS  16          1HB       LYS  16  -5.869  -4.976  -6.434
  136    HB3  LYS  16          2HB       LYS  16  -6.087  -3.245  -6.601
  137    HG2  LYS  16          1HG       LYS  16  -3.353  -4.426  -6.282
  138    HG3  LYS  16          2HG       LYS  16  -4.152  -4.368  -7.854
  139    HD2  LYS  16          1HD       LYS  16  -3.791  -1.941  -6.097
  140    HD3  LYS  16          2HD       LYS  16  -2.603  -2.433  -7.318
  141    HE2  LYS  16          1HE       LYS  16  -5.503  -1.764  -7.838
  142    HE3  LYS  16          2HE       LYS  16  -4.132  -0.709  -8.168
  143    HZ1  LYS  16          1HZ       LYS  16  -3.304  -2.364  -9.736
  144    HZ2  LYS  16          2HZ       LYS  16  -4.851  -1.836 -10.162
  145    HZ3  LYS  16          3HZ       LYS  16  -4.647  -3.345  -9.433
  146    H    ILE  17           H        ILE  17  -6.402  -1.592  -4.791
  147    HA   ILE  17           HA       ILE  17  -4.249   0.110  -4.930
  148    HB   ILE  17           HB       ILE  17  -6.987   0.377  -4.949
  149   HG12  ILE  17          1HG1      ILE  17  -6.423   2.870  -5.184
  150   HG13  ILE  17          2HG1      ILE  17  -4.752   2.379  -4.899
  151   HG21  ILE  17          1HG2      ILE  17  -7.633   2.036  -3.310
  152   HG22  ILE  17          2HG2      ILE  17  -6.021   2.007  -2.591
  153   HG23  ILE  17          3HG2      ILE  17  -7.061   0.587  -2.480
  154   HD11  ILE  17          1HD1      ILE  17  -4.823   0.928  -6.832
  155   HD12  ILE  17          2HD1      ILE  17  -5.283   2.569  -7.290
  156   HD13  ILE  17          3HD1      ILE  17  -6.522   1.323  -7.093
  157    H    SER  18           H        SER  18  -5.808  -1.262  -2.176
  158    HA   SER  18           HA       SER  18  -4.318   0.415  -0.359
  159    HB2  SER  18          1HB       SER  18  -6.257  -1.846   0.219
  160    HB3  SER  18          2HB       SER  18  -5.608  -0.712   1.399
  161    HG   SER  18           HG       SER  18  -7.435  -0.242  -0.694
  162    H    PHE  19           H        PHE  19  -4.382  -2.783  -1.627
  163    HA   PHE  19           HA       PHE  19  -2.697  -4.157   0.111
  164    HB2  PHE  19          1HB       PHE  19  -3.609  -5.664  -1.309
  165    HB3  PHE  19          2HB       PHE  19  -3.761  -4.472  -2.597
  166    HD1  PHE  19           HD1      PHE  19  -2.406  -4.546  -4.424
  167    HD2  PHE  19           HD2      PHE  19  -1.241  -6.646  -0.914
  168    HE1  PHE  19           HE1      PHE  19  -0.508  -5.487  -5.640
  169    HE2  PHE  19           HE2      PHE  19   0.667  -7.613  -2.125
  170    HZ   PHE  19           HZ       PHE  19   1.041  -7.041  -4.497
  171    H    LEU  20           H        LEU  20  -1.784  -2.649  -3.040
  172    HA   LEU  20           HA       LEU  20   0.989  -3.122  -2.447
  173    HB2  LEU  20          1HB       LEU  20   1.526  -2.219  -4.517
  174    HB3  LEU  20          2HB       LEU  20  -0.057  -2.909  -4.793
  175    HG   LEU  20           HG       LEU  20   0.437   0.015  -4.260
  176   HD11  LEU  20          1HD1      LEU  20   0.061   0.340  -6.650
  177   HD12  LEU  20          2HD1      LEU  20  -0.038  -1.407  -6.875
  178   HD13  LEU  20          3HD1      LEU  20   1.479  -0.669  -6.360
  179   HD21  LEU  20          1HD2      LEU  20  -1.877   0.082  -5.393
  180   HD22  LEU  20          2HD2      LEU  20  -1.761  -0.365  -3.687
  181   HD23  LEU  20          3HD2      LEU  20  -1.965  -1.622  -4.923
  182    H    GLY  21           H        GLY  21  -1.320  -0.702  -1.888
  183    HA2  GLY  21          1HA       GLY  21   0.366   1.468  -1.248
  184    HA3  GLY  21          2HA       GLY  21  -1.294   1.222  -0.716
  185    H    CYS  22           H        CYS  22  -0.103  -1.487   0.230
  186    HA   CYS  22           HA       CYS  22   0.535  -0.712   2.945
  187    HB2  CYS  22          1HB       CYS  22   0.309  -3.418   1.611
  188    HB3  CYS  22          2HB       CYS  22   0.667  -3.165   3.311
  189    HG   CYS  22           HG       CYS  22  -2.227  -2.064   1.871
  190    H    LYS  23           H        LYS  23   1.879  -2.548   0.287
  191    HA   LYS  23           HA       LYS  23   4.466  -2.951   1.151
  192    HB2  LYS  23          1HB       LYS  23   3.346  -2.349  -1.548
  193    HB3  LYS  23          2HB       LYS  23   5.020  -2.829  -1.303
  194    HG2  LYS  23          1HG       LYS  23   4.234  -4.953  -0.317
  195    HG3  LYS  23          2HG       LYS  23   2.575  -4.474  -0.678
  196    HD2  LYS  23          1HD       LYS  23   2.994  -4.500  -3.024
  197    HD3  LYS  23          2HD       LYS  23   4.730  -4.686  -2.768
  198    HE2  LYS  23          1HE       LYS  23   2.630  -6.707  -1.992
  199    HE3  LYS  23          2HE       LYS  23   3.631  -6.789  -3.440
  200    HZ1  LYS  23          1HZ       LYS  23   5.592  -6.901  -2.028
  201    HZ2  LYS  23          2HZ       LYS  23   4.527  -8.164  -1.678
  202    HZ3  LYS  23          3HZ       LYS  23   4.626  -6.833  -0.642
  203    H    VAL  24           H        VAL  24   2.927  -0.268  -0.343
  204    HA   VAL  24           HA       VAL  24   5.346   1.268  -0.506
  205    HB   VAL  24           HB       VAL  24   2.512   2.102  -0.996
  206   HG11  VAL  24          1HG1      VAL  24   3.953   4.004  -0.541
  207   HG12  VAL  24          2HG1      VAL  24   3.481   3.973  -2.239
  208   HG13  VAL  24          3HG1      VAL  24   5.091   3.440  -1.762
  209   HG21  VAL  24          1HG2      VAL  24   4.645   1.282  -2.952
  210   HG22  VAL  24          2HG2      VAL  24   2.994   1.765  -3.348
  211   HG23  VAL  24          3HG2      VAL  24   3.289   0.275  -2.445
  212    H    VAL  25           H        VAL  25   2.744   0.758   1.631
  213    HA   VAL  25           HA       VAL  25   3.100   3.055   3.269
  214    HB   VAL  25           HB       VAL  25   1.693   0.517   3.525
  215   HG11  VAL  25          1HG1      VAL  25   3.225   0.092   5.366
  216   HG12  VAL  25          2HG1      VAL  25   1.619   0.474   5.986
  217   HG13  VAL  25          3HG1      VAL  25   2.893   1.691   6.030
  218   HG21  VAL  25          1HG2      VAL  25   0.592   2.618   3.228
  219   HG22  VAL  25          2HG2      VAL  25   1.347   3.251   4.698
  220   HG23  VAL  25          3HG2      VAL  25   0.156   1.950   4.802
  221    H    ALA  26           H        ALA  26   4.659  -0.021   2.959
  222    HA   ALA  26           HA       ALA  26   6.305   0.133   5.220
  223    HB1  ALA  26          1HB       ALA  26   6.843  -1.271   2.610
  224    HB2  ALA  26          2HB       ALA  26   5.959  -1.944   3.979
  225    HB3  ALA  26          3HB       ALA  26   7.674  -1.567   4.137
  226    H    LEU  27           H        LEU  27   6.603   1.545   1.987
  227    HA   LEU  27           HA       LEU  27   9.267   2.478   2.717
  228    HB2  LEU  27          1HB       LEU  27   9.491   3.302   0.477
  229    HB3  LEU  27          2HB       LEU  27   8.929   1.646   0.461
  230    HG   LEU  27           HG       LEU  27   6.566   2.793   0.196
  231   HD11  LEU  27          1HD1      LEU  27   7.366   5.082   0.423
  232   HD12  LEU  27          2HD1      LEU  27   6.693   4.806  -1.184
  233   HD13  LEU  27          3HD1      LEU  27   8.441   4.853  -0.957
  234   HD21  LEU  27          1HD2      LEU  27   6.849   2.605  -2.243
  235   HD22  LEU  27          2HD2      LEU  27   7.539   1.234  -1.377
  236   HD23  LEU  27          3HD2      LEU  27   8.592   2.497  -2.013
  237    H    LEU  28           H        LEU  28   6.035   3.639   2.574
  238    HA   LEU  28           HA       LEU  28   6.762   6.432   2.635
  239    HB2  LEU  28          1HB       LEU  28   4.849   6.168   1.432
  240    HB3  LEU  28          2HB       LEU  28   4.285   4.832   2.412
  241    HG   LEU  28           HG       LEU  28   4.170   7.051   4.098
  242   HD11  LEU  28          1HD1      LEU  28   4.428   8.523   2.176
  243   HD12  LEU  28          2HD1      LEU  28   2.800   8.637   2.843
  244   HD13  LEU  28          3HD1      LEU  28   3.084   7.717   1.365
  245   HD21  LEU  28          1HD2      LEU  28   1.793   6.622   4.000
  246   HD22  LEU  28          2HD2      LEU  28   2.688   5.096   3.988
  247   HD23  LEU  28          3HD2      LEU  28   1.993   5.729   2.492
  248    H    LYS  29           H        LYS  29   4.653   4.527   4.827
  249    HA   LYS  29           HA       LYS  29   5.230   6.363   6.989
  250    HB2  LYS  29          1HB       LYS  29   3.551   3.854   6.870
  251    HB3  LYS  29          2HB       LYS  29   3.751   4.819   8.323
  252    HG2  LYS  29          1HG       LYS  29   2.594   5.853   5.750
  253    HG3  LYS  29          2HG       LYS  29   1.640   5.243   7.099
  254    HD2  LYS  29          1HD       LYS  29   2.614   6.978   8.544
  255    HD3  LYS  29          2HD       LYS  29   3.525   7.597   7.165
  256    HE2  LYS  29          1HE       LYS  29   1.425   8.054   5.992
  257    HE3  LYS  29          2HE       LYS  29   0.521   7.445   7.376
  258    HZ1  LYS  29          1HZ       LYS  29   1.461   9.214   8.724
  259    HZ2  LYS  29          2HZ       LYS  29   0.639   9.852   7.392
  260    HZ3  LYS  29          3HZ       LYS  29   2.329   9.798   7.396
  261    H    ARG  30           H        ARG  30   5.943   3.182   5.963
  262    HA   ARG  30           HA       ARG  30   7.571   1.720   6.422
  263    HB2  ARG  30          1HB       ARG  30   8.769   3.977   8.035
  264    HB3  ARG  30          2HB       ARG  30   9.577   2.449   7.719
  265    HG2  ARG  30          1HG       ARG  30   9.519   2.908   5.323
  266    HG3  ARG  30          2HG       ARG  30   8.695   4.436   5.634
  267    HD2  ARG  30          1HD       ARG  30  11.430   3.698   6.666
  268    HD3  ARG  30          2HD       ARG  30  11.120   4.701   5.249
  269    HE   ARG  30           HE       ARG  30   9.749   5.807   7.422
  270   HH11  ARG  30          1HH1      ARG  30  13.035   5.279   6.355
  271   HH12  ARG  30          2HH1      ARG  30  13.662   6.666   7.181
  272   HH21  ARG  30          1HH2      ARG  30  10.560   7.631   8.506
  273   HH22  ARG  30          2HH2      ARG  30  12.249   8.012   8.408
  Start of MODEL    5
    1    H1   MET   1          1H        MET   1 -24.197 -11.766 -21.011
    2    H2   MET   1          2H        MET   1 -23.255 -11.243 -22.315
    3    H3   MET   1          3H        MET   1 -22.984 -10.612 -20.768
    4    HA   MET   1           HA       MET   1 -22.276 -12.763 -19.973
    5    HB2  MET   1          1HB       MET   1 -22.669 -13.597 -22.856
    6    HB3  MET   1          2HB       MET   1 -21.873 -14.568 -21.626
    7    HG2  MET   1          1HG       MET   1 -23.960 -14.619 -20.337
    8    HG3  MET   1          2HG       MET   1 -24.750 -13.690 -21.609
    9    HE1  MET   1          1HE       MET   1 -22.108 -16.628 -21.924
   10    HE2  MET   1          2HE       MET   1 -23.195 -18.009 -22.077
   11    HE3  MET   1          3HE       MET   1 -23.145 -17.087 -20.574
   12    H    ALA   2           H        ALA   2 -20.090 -13.021 -19.829
   13    HA   ALA   2           HA       ALA   2 -17.909 -12.420 -19.975
   14    HB1  ALA   2          1HB       ALA   2 -17.983 -13.651 -22.086
   15    HB2  ALA   2          2HB       ALA   2 -16.885 -12.275 -22.187
   16    HB3  ALA   2          3HB       ALA   2 -18.483 -12.184 -22.929
   17    H    THR   3           H        THR   3 -19.982 -10.431 -19.554
   18    HA   THR   3           HA       THR   3 -19.126  -8.040 -20.939
   19    HB   THR   3           HB       THR   3 -21.135  -8.245 -18.691
   20    HG1  THR   3           HG1      THR   3 -21.518  -8.624 -21.498
   21   HG21  THR   3          1HG2      THR   3 -22.116  -6.272 -19.745
   22   HG22  THR   3          2HG2      THR   3 -20.885  -6.317 -21.007
   23   HG23  THR   3          3HG2      THR   3 -20.424  -5.976 -19.340
   24    H    LYS   4           H        LYS   4 -17.941  -6.391 -20.072
   25    HA   LYS   4           HA       LYS   4 -16.701  -6.863 -17.475
   26    HB2  LYS   4          1HB       LYS   4 -16.167  -4.753 -19.573
   27    HB3  LYS   4          2HB       LYS   4 -15.264  -4.925 -18.075
   28    HG2  LYS   4          1HG       LYS   4 -15.436  -6.997 -20.252
   29    HG3  LYS   4          2HG       LYS   4 -14.085  -5.894 -19.991
   30    HD2  LYS   4          1HD       LYS   4 -13.749  -6.869 -17.758
   31    HD3  LYS   4          2HD       LYS   4 -15.073  -7.994 -18.064
   32    HE2  LYS   4          1HE       LYS   4 -12.497  -7.804 -19.619
   33    HE3  LYS   4          2HE       LYS   4 -12.916  -9.058 -18.452
   34    HZ1  LYS   4          1HZ       LYS   4 -13.269  -9.815 -20.710
   35    HZ2  LYS   4          2HZ       LYS   4 -14.330  -8.533 -21.011
   36    HZ3  LYS   4          3HZ       LYS   4 -14.744  -9.728 -19.887
   37    H    HIS   5           H        HIS   5 -19.055  -6.522 -16.732
   38    HA   HIS   5           HA       HIS   5 -19.477  -3.658 -16.176
   39    HB2  HIS   5          1HB       HIS   5 -21.218  -4.776 -17.619
   40    HB3  HIS   5          2HB       HIS   5 -21.591  -5.823 -16.258
   41    HD1  HIS   5           HD1      HIS   5 -23.519  -5.055 -14.930
   42    HD2  HIS   5           HD2      HIS   5 -21.570  -1.885 -16.779
   43    HE1  HIS   5           HE1      HIS   5 -24.858  -3.010 -14.352
   44    HE2  HIS   5           HE2      HIS   5 -23.556  -1.093 -15.328
   45    H    GLY   6           H        GLY   6 -17.736  -5.218 -14.686
   46    HA2  GLY   6          1HA       GLY   6 -19.002  -6.333 -12.385
   47    HA3  GLY   6          2HA       GLY   6 -17.289  -5.979 -12.564
   48    H    LYS   7           H        LYS   7 -20.107  -5.136 -10.991
   49    HA   LYS   7           HA       LYS   7 -19.477  -2.365 -10.554
   50    HB2  LYS   7          1HB       LYS   7 -21.320  -2.539  -8.835
   51    HB3  LYS   7          2HB       LYS   7 -21.790  -2.867 -10.496
   52    HG2  LYS   7          1HG       LYS   7 -21.708  -5.260 -10.051
   53    HG3  LYS   7          2HG       LYS   7 -21.194  -4.942  -8.394
   54    HD2  LYS   7          1HD       LYS   7 -23.796  -4.003  -9.594
   55    HD3  LYS   7          2HD       LYS   7 -23.615  -5.452  -8.607
   56    HE2  LYS   7          1HE       LYS   7 -22.780  -4.049  -6.756
   57    HE3  LYS   7          2HE       LYS   7 -23.049  -2.615  -7.748
   58    HZ1  LYS   7          1HZ       LYS   7 -25.121  -4.516  -6.791
   59    HZ2  LYS   7          2HZ       LYS   7 -25.415  -3.224  -7.841
   60    HZ3  LYS   7          3HZ       LYS   7 -24.885  -2.925  -6.264
   61    H    ASN   8           H        ASN   8 -18.087  -5.015  -9.588
   62    HA   ASN   8           HA       ASN   8 -17.374  -4.039  -6.917
   63    HB2  ASN   8          1HB       ASN   8 -16.554  -6.255  -6.414
   64    HB3  ASN   8          2HB       ASN   8 -18.187  -6.390  -7.051
   65   HD21  ASN   8          1HD2      ASN   8 -15.915  -8.290  -6.940
   66   HD22  ASN   8          2HD2      ASN   8 -15.694  -8.829  -8.569
   67    H    SER   9           H        SER   9 -16.248  -4.349 -10.107
   68    HA   SER   9           HA       SER   9 -13.571  -4.796  -9.906
   69    HB2  SER   9          1HB       SER   9 -14.954  -2.891 -11.794
   70    HB3  SER   9          2HB       SER   9 -13.343  -3.574 -12.021
   71    HG   SER   9           HG       SER   9 -15.308  -4.644 -13.025
   72    H    TRP  10           H        TRP  10 -15.205  -1.689  -9.294
   73    HA   TRP  10           HA       TRP  10 -12.915  -0.084  -9.141
   74    HB2  TRP  10          1HB       TRP  10 -14.266   1.543  -8.080
   75    HB3  TRP  10          2HB       TRP  10 -15.396   0.658  -9.098
   76    HD1  TRP  10           HD1      TRP  10 -17.342  -0.661  -7.883
   77    HE1  TRP  10           HE1      TRP  10 -18.159  -0.771  -5.447
   78    HE3  TRP  10           HE3      TRP  10 -13.350   1.567  -5.608
   79    HZ2  TRP  10           HZ2      TRP  10 -17.220  -0.029  -2.892
   80    HZ3  TRP  10           HZ3      TRP  10 -13.385   1.819  -3.155
   81    HH2  TRP  10           HH2      TRP  10 -15.274   1.025  -1.831
   82    H    LYS  11           H        LYS  11 -14.405  -2.343  -7.038
   83    HA   LYS  11           HA       LYS  11 -12.998  -1.540  -4.657
   84    HB2  LYS  11          1HB       LYS  11 -15.392  -2.628  -4.999
   85    HB3  LYS  11          2HB       LYS  11 -14.470  -4.122  -4.927
   86    HG2  LYS  11          1HG       LYS  11 -13.525  -2.649  -2.804
   87    HG3  LYS  11          2HG       LYS  11 -15.249  -2.314  -2.841
   88    HD2  LYS  11          1HD       LYS  11 -14.782  -4.238  -1.421
   89    HD3  LYS  11          2HD       LYS  11 -15.725  -4.716  -2.835
   90    HE2  LYS  11          1HE       LYS  11 -13.653  -5.486  -3.929
   91    HE3  LYS  11          2HE       LYS  11 -12.744  -5.029  -2.491
   92    HZ1  LYS  11          1HZ       LYS  11 -13.958  -6.658  -1.219
   93    HZ2  LYS  11          2HZ       LYS  11 -13.257  -7.406  -2.562
   94    HZ3  LYS  11          3HZ       LYS  11 -14.912  -7.060  -2.556
   95    H    THR  12           H        THR  12 -12.842  -3.852  -7.199
   96    HA   THR  12           HA       THR  12 -10.843  -5.538  -6.136
   97    HB   THR  12           HB       THR  12 -10.988  -5.035  -9.077
   98    HG1  THR  12           HG1      THR  12 -13.065  -6.065  -7.439
   99   HG21  THR  12          1HG2      THR  12 -10.721  -7.440  -9.138
  100   HG22  THR  12          2HG2      THR  12 -10.917  -7.521  -7.384
  101   HG23  THR  12          3HG2      THR  12  -9.500  -6.725  -8.076
  102    H    LEU  13           H        LEU  13 -10.832  -2.579  -8.049
  103    HA   LEU  13           HA       LEU  13  -8.042  -2.292  -8.362
  104    HB2  LEU  13          1HB       LEU  13  -9.716   0.110  -7.743
  105    HB3  LEU  13          2HB       LEU  13  -8.437  -0.055  -8.927
  106    HG   LEU  13           HG       LEU  13 -11.275  -0.961  -9.124
  107   HD11  LEU  13          1HD1      LEU  13 -10.951   1.410  -9.463
  108   HD12  LEU  13          2HD1      LEU  13 -11.358   0.631 -10.993
  109   HD13  LEU  13          3HD1      LEU  13  -9.690   1.095 -10.653
  110   HD21  LEU  13          1HD2      LEU  13  -9.020  -1.350 -11.114
  111   HD22  LEU  13          2HD2      LEU  13 -10.721  -1.707 -11.417
  112   HD23  LEU  13          3HD2      LEU  13  -9.829  -2.627 -10.204
  113    H    TYR  14           H        TYR  14 -10.184  -1.986  -5.754
  114    HA   TYR  14           HA       TYR  14  -8.701   0.060  -4.397
  115    HB2  TYR  14          1HB       TYR  14 -11.284  -0.248  -4.688
  116    HB3  TYR  14          2HB       TYR  14 -11.096  -1.284  -3.275
  117    HD1  TYR  14           HD1      TYR  14 -10.753   2.083  -4.595
  118    HD2  TYR  14           HD2      TYR  14 -10.589  -0.390  -1.145
  119    HE1  TYR  14           HE1      TYR  14 -10.683   4.098  -3.151
  120    HE2  TYR  14           HE2      TYR  14 -10.522   1.575   0.304
  121    HH   TYR  14           HH       TYR  14 -11.182   4.740  -0.848
  122    H    LEU  15           H        LEU  15  -9.820  -3.233  -3.743
  123    HA   LEU  15           HA       LEU  15  -8.433  -3.452  -1.280
  124    HB2  LEU  15          1HB       LEU  15  -9.017  -5.746  -1.322
  125    HB3  LEU  15          2HB       LEU  15 -10.344  -4.912  -2.109
  126    HG   LEU  15           HG       LEU  15  -8.658  -5.596  -4.204
  127   HD11  LEU  15          1HD1      LEU  15  -7.369  -7.061  -2.759
  128   HD12  LEU  15          2HD1      LEU  15  -8.298  -8.004  -3.924
  129   HD13  LEU  15          3HD1      LEU  15  -8.843  -7.885  -2.251
  130   HD21  LEU  15          1HD2      LEU  15 -11.093  -7.019  -3.150
  131   HD22  LEU  15          2HD2      LEU  15 -10.439  -7.158  -4.783
  132   HD23  LEU  15          3HD2      LEU  15 -11.084  -5.613  -4.218
  133    H    LYS  16           H        LYS  16  -7.570  -3.612  -4.570
  134    HA   LYS  16           HA       LYS  16  -5.039  -4.916  -4.240
  135    HB2  LYS  16          1HB       LYS  16  -6.237  -5.053  -6.387
  136    HB3  LYS  16          2HB       LYS  16  -6.216  -3.306  -6.518
  137    HG2  LYS  16          1HG       LYS  16  -3.650  -4.822  -6.331
  138    HG3  LYS  16          2HG       LYS  16  -4.508  -4.693  -7.866
  139    HD2  LYS  16          1HD       LYS  16  -3.854  -2.283  -6.181
  140    HD3  LYS  16          2HD       LYS  16  -2.713  -2.936  -7.374
  141    HE2  LYS  16          1HE       LYS  16  -5.514  -1.943  -7.919
  142    HE3  LYS  16          2HE       LYS  16  -4.014  -1.123  -8.344
  143    HZ1  LYS  16          1HZ       LYS  16  -3.470  -3.001  -9.794
  144    HZ2  LYS  16          2HZ       LYS  16  -4.915  -2.257 -10.250
  145    HZ3  LYS  16          3HZ       LYS  16  -4.950  -3.729  -9.422
  146    H    ILE  17           H        ILE  17  -6.361  -1.711  -4.696
  147    HA   ILE  17           HA       ILE  17  -4.083  -0.182  -4.976
  148    HB   ILE  17           HB       ILE  17  -6.793   0.296  -4.881
  149   HG12  ILE  17          1HG1      ILE  17  -6.026   2.731  -5.210
  150   HG13  ILE  17          2HG1      ILE  17  -4.395   2.090  -5.012
  151   HG21  ILE  17          1HG2      ILE  17  -6.806   0.600  -2.457
  152   HG22  ILE  17          2HG2      ILE  17  -7.150   2.121  -3.282
  153   HG23  ILE  17          3HG2      ILE  17  -5.552   1.834  -2.592
  154   HD11  ILE  17          1HD1      ILE  17  -5.071   2.288  -7.371
  155   HD12  ILE  17          2HD1      ILE  17  -6.383   1.145  -7.066
  156   HD13  ILE  17          3HD1      ILE  17  -4.704   0.627  -6.904
  157    H    SER  18           H        SER  18  -5.615  -1.426  -2.147
  158    HA   SER  18           HA       SER  18  -3.968   0.196  -0.419
  159    HB2  SER  18          1HB       SER  18  -6.355  -0.292   0.163
  160    HB3  SER  18          2HB       SER  18  -5.930  -1.992   0.339
  161    HG   SER  18           HG       SER  18  -5.309  -1.546   2.277
  162    H    PHE  19           H        PHE  19  -4.268  -3.033  -1.609
  163    HA   PHE  19           HA       PHE  19  -2.534  -4.447   0.021
  164    HB2  PHE  19          1HB       PHE  19  -3.520  -5.918  -1.393
  165    HB3  PHE  19          2HB       PHE  19  -3.668  -4.716  -2.675
  166    HD1  PHE  19           HD1      PHE  19  -1.061  -6.802  -0.992
  167    HD2  PHE  19           HD2      PHE  19  -2.435  -4.953  -4.563
  168    HE1  PHE  19           HE1      PHE  19   0.806  -7.801  -2.216
  169    HE2  PHE  19           HE2      PHE  19  -0.577  -5.942  -5.805
  170    HZ   PHE  19           HZ       PHE  19   1.054  -7.386  -4.640
  171    H    LEU  20           H        LEU  20  -1.660  -3.002  -3.171
  172    HA   LEU  20           HA       LEU  20   1.127  -3.422  -2.573
  173    HB2  LEU  20          1HB       LEU  20   1.660  -2.521  -4.651
  174    HB3  LEU  20          2HB       LEU  20   0.100  -3.265  -4.921
  175    HG   LEU  20           HG       LEU  20   0.520  -0.314  -4.458
  176   HD11  LEU  20          1HD1      LEU  20   0.064  -1.831  -7.024
  177   HD12  LEU  20          2HD1      LEU  20   1.554  -1.018  -6.547
  178   HD13  LEU  20          3HD1      LEU  20   0.097  -0.075  -6.857
  179   HD21  LEU  20          1HD2      LEU  20  -1.853  -2.022  -5.074
  180   HD22  LEU  20          2HD2      LEU  20  -1.807  -0.318  -5.545
  181   HD23  LEU  20          3HD2      LEU  20  -1.666  -0.763  -3.837
  182    H    GLY  21           H        GLY  21  -1.197  -1.018  -2.023
  183    HA2  GLY  21          1HA       GLY  21   0.501   1.176  -1.443
  184    HA3  GLY  21          2HA       GLY  21  -1.173   0.968  -0.943
  185    H    CYS  22           H        CYS  22   0.006  -1.732   0.118
  186    HA   CYS  22           HA       CYS  22   0.499  -0.864   2.835
  187    HB2  CYS  22          1HB       CYS  22   0.364  -3.601   1.551
  188    HB3  CYS  22          2HB       CYS  22   0.742  -3.328   3.246
  189    HG   CYS  22           HG       CYS  22  -2.193  -2.240   1.878
  190    H    LYS  23           H        LYS  23   2.013  -2.731   0.313
  191    HA   LYS  23           HA       LYS  23   4.557  -3.036   1.317
  192    HB2  LYS  23          1HB       LYS  23   3.612  -2.489  -1.463
  193    HB3  LYS  23          2HB       LYS  23   5.245  -3.015  -1.081
  194    HG2  LYS  23          1HG       LYS  23   4.363  -5.107  -0.167
  195    HG3  LYS  23          2HG       LYS  23   2.723  -4.577  -0.549
  196    HD2  LYS  23          1HD       LYS  23   3.207  -4.580  -2.897
  197    HD3  LYS  23          2HD       LYS  23   4.916  -4.901  -2.594
  198    HE2  LYS  23          1HE       LYS  23   4.224  -7.061  -1.532
  199    HE3  LYS  23          2HE       LYS  23   2.581  -6.735  -2.080
  200    HZ1  LYS  23          1HZ       LYS  23   4.961  -7.041  -3.827
  201    HZ2  LYS  23          2HZ       LYS  23   3.395  -6.713  -4.362
  202    HZ3  LYS  23          3HZ       LYS  23   3.741  -8.189  -3.613
  203    H    VAL  24           H        VAL  24   3.047  -0.449  -0.378
  204    HA   VAL  24           HA       VAL  24   5.402   1.171  -0.430
  205    HB   VAL  24           HB       VAL  24   2.564   1.892  -1.055
  206   HG11  VAL  24          1HG1      VAL  24   3.912   3.854  -0.563
  207   HG12  VAL  24          2HG1      VAL  24   3.499   3.787  -2.275
  208   HG13  VAL  24          3HG1      VAL  24   5.114   3.328  -1.738
  209   HG21  VAL  24          1HG2      VAL  24   3.163   1.529  -3.376
  210   HG22  VAL  24          2HG2      VAL  24   3.481   0.070  -2.428
  211   HG23  VAL  24          3HG2      VAL  24   4.814   1.127  -2.897
  212    H    VAL  25           H        VAL  25   2.713   0.648   1.612
  213    HA   VAL  25           HA       VAL  25   2.944   2.995   3.198
  214    HB   VAL  25           HB       VAL  25   1.618   0.404   3.500
  215   HG11  VAL  25          1HG1      VAL  25   1.420   0.471   5.943
  216   HG12  VAL  25          2HG1      VAL  25   2.603   1.778   6.001
  217   HG13  VAL  25          3HG1      VAL  25   3.087   0.176   5.443
  218   HG21  VAL  25          1HG2      VAL  25  -0.041   1.839   4.609
  219   HG22  VAL  25          2HG2      VAL  25   0.452   2.438   3.025
  220   HG23  VAL  25          3HG2      VAL  25   1.100   3.182   4.493
  221    H    ALA  26           H        ALA  26   4.629  -0.024   3.030
  222    HA   ALA  26           HA       ALA  26   6.134   0.270   5.389
  223    HB1  ALA  26          1HB       ALA  26   5.875  -1.884   4.281
  224    HB2  ALA  26          2HB       ALA  26   7.579  -1.473   4.472
  225    HB3  ALA  26          3HB       ALA  26   6.799  -1.291   2.901
  226    H    LEU  27           H        LEU  27   6.524   1.581   2.141
  227    HA   LEU  27           HA       LEU  27   9.150   2.564   2.930
  228    HB2  LEU  27          1HB       LEU  27   9.434   3.370   0.691
  229    HB3  LEU  27          2HB       LEU  27   8.892   1.706   0.673
  230    HG   LEU  27           HG       LEU  27   6.528   2.794   0.307
  231   HD11  LEU  27          1HD1      LEU  27   7.238   5.104   0.586
  232   HD12  LEU  27          2HD1      LEU  27   6.655   4.824  -1.055
  233   HD13  LEU  27          3HD1      LEU  27   8.387   4.925  -0.740
  234   HD21  LEU  27          1HD2      LEU  27   6.920   2.642  -2.120
  235   HD22  LEU  27          2HD2      LEU  27   7.611   1.282  -1.236
  236   HD23  LEU  27          3HD2      LEU  27   8.656   2.579  -1.817
  237    H    LEU  28           H        LEU  28   5.908   3.645   2.688
  238    HA   LEU  28           HA       LEU  28   6.557   6.455   2.711
  239    HB2  LEU  28          1HB       LEU  28   4.690   6.060   1.453
  240    HB3  LEU  28          2HB       LEU  28   4.122   4.780   2.502
  241    HG   LEU  28           HG       LEU  28   3.906   7.038   4.078
  242   HD11  LEU  28          1HD1      LEU  28   2.660   8.636   2.719
  243   HD12  LEU  28          2HD1      LEU  28   3.014   7.691   1.273
  244   HD13  LEU  28          3HD1      LEU  28   4.323   8.478   2.155
  245   HD21  LEU  28          1HD2      LEU  28   1.535   6.642   3.837
  246   HD22  LEU  28          2HD2      LEU  28   2.406   5.102   3.894
  247   HD23  LEU  28          3HD2      LEU  28   1.813   5.729   2.353
  248    H    LYS  29           H        LYS  29   4.395   4.582   4.877
  249    HA   LYS  29           HA       LYS  29   4.967   6.435   7.034
  250    HB2  LYS  29          1HB       LYS  29   3.175   4.005   6.914
  251    HB3  LYS  29          2HB       LYS  29   3.360   5.017   8.337
  252    HG2  LYS  29          1HG       LYS  29   2.263   5.889   5.674
  253    HG3  LYS  29          2HG       LYS  29   1.329   5.559   7.131
  254    HD2  LYS  29          1HD       LYS  29   2.482   7.385   8.282
  255    HD3  LYS  29          2HD       LYS  29   3.417   7.714   6.822
  256    HE2  LYS  29          1HE       LYS  29   1.311   8.173   5.616
  257    HE3  LYS  29          2HE       LYS  29   0.424   7.927   7.118
  258    HZ1  LYS  29          1HZ       LYS  29   1.630   9.781   8.089
  259    HZ2  LYS  29          2HZ       LYS  29   0.810  10.269   6.693
  260    HZ3  LYS  29          3HZ       LYS  29   2.478  10.015   6.645
  261    H    ARG  30           H        ARG  30   5.643   3.255   6.008
  262    HA   ARG  30           HA       ARG  30   7.295   1.819   6.457
  263    HB2  ARG  30          1HB       ARG  30   8.437   4.004   8.210
  264    HB3  ARG  30          2HB       ARG  30   9.299   2.567   7.672
  265    HG2  ARG  30          1HG       ARG  30   9.124   3.284   5.370
  266    HG3  ARG  30          2HG       ARG  30   8.168   4.683   5.854
  267    HD2  ARG  30          1HD       ARG  30  10.090   5.510   7.156
  268    HD3  ARG  30          2HD       ARG  30  11.038   4.132   6.591
  269    HE   ARG  30           HE       ARG  30   9.991   5.431   4.350
  270   HH11  ARG  30          1HH1      ARG  30  12.298   6.058   6.914
  271   HH12  ARG  30          2HH1      ARG  30  13.258   7.138   5.956
  272   HH21  ARG  30          1HH2      ARG  30  11.267   6.844   3.087
  273   HH22  ARG  30          2HH2      ARG  30  12.679   7.577   3.780
  Start of MODEL    6
    1    H1   MET   1          1H        MET   1 -13.705 -18.278  -8.503
    2    H2   MET   1          2H        MET   1 -14.446 -19.792  -8.626
    3    H3   MET   1          3H        MET   1 -15.242 -18.411  -9.191
    4    HA   MET   1           HA       MET   1 -12.734 -19.503 -10.288
    5    HB2  MET   1          1HB       MET   1 -14.621 -20.962 -10.789
    6    HB3  MET   1          2HB       MET   1 -15.547 -19.590 -11.373
    7    HG2  MET   1          1HG       MET   1 -13.943 -19.282 -13.194
    8    HG3  MET   1          2HG       MET   1 -13.023 -20.668 -12.612
    9    HE1  MET   1          1HE       MET   1 -14.718 -21.940 -15.941
   10    HE2  MET   1          2HE       MET   1 -13.190 -21.654 -15.109
   11    HE3  MET   1          3HE       MET   1 -14.184 -20.290 -15.618
   12    H    ALA   2           H        ALA   2 -15.441 -17.689 -11.603
   13    HA   ALA   2           HA       ALA   2 -13.670 -15.421 -12.111
   14    HB1  ALA   2          1HB       ALA   2 -14.333 -15.327 -14.473
   15    HB2  ALA   2          2HB       ALA   2 -15.211 -16.843 -14.279
   16    HB3  ALA   2          3HB       ALA   2 -13.458 -16.809 -14.093
   17    H    THR   3           H        THR   3 -14.711 -13.468 -12.388
   18    HA   THR   3           HA       THR   3 -17.612 -13.397 -12.409
   19    HB   THR   3           HB       THR   3 -17.172 -13.433 -10.030
   20    HG1  THR   3           HG1      THR   3 -18.697 -11.998  -9.929
   21   HG21  THR   3          1HG2      THR   3 -14.844 -12.684 -10.031
   22   HG22  THR   3          2HG2      THR   3 -15.816 -11.716  -8.923
   23   HG23  THR   3          3HG2      THR   3 -15.357 -11.062 -10.495
   24    H    LYS   4           H        LYS   4 -18.295 -11.828 -13.715
   25    HA   LYS   4           HA       LYS   4 -16.672  -9.447 -14.121
   26    HB2  LYS   4          1HB       LYS   4 -16.864  -9.716 -16.613
   27    HB3  LYS   4          2HB       LYS   4 -15.795 -10.866 -15.826
   28    HG2  LYS   4          1HG       LYS   4 -17.706 -12.499 -15.852
   29    HG3  LYS   4          2HG       LYS   4 -18.566 -11.354 -16.881
   30    HD2  LYS   4          1HD       LYS   4 -17.476 -13.045 -18.235
   31    HD3  LYS   4          2HD       LYS   4 -16.730 -11.471 -18.509
   32    HE2  LYS   4          1HE       LYS   4 -14.883 -12.051 -17.061
   33    HE3  LYS   4          2HE       LYS   4 -15.655 -13.578 -16.637
   34    HZ1  LYS   4          1HZ       LYS   4 -14.653 -12.803 -19.323
   35    HZ2  LYS   4          2HZ       LYS   4 -15.455 -14.249 -18.967
   36    HZ3  LYS   4          3HZ       LYS   4 -13.947 -13.928 -18.276
   37    H    HIS   5           H        HIS   5 -19.146  -9.899 -12.819
   38    HA   HIS   5           HA       HIS   5 -20.888  -8.251 -14.513
   39    HB2  HIS   5          1HB       HIS   5 -22.865  -9.368 -13.492
   40    HB3  HIS   5          2HB       HIS   5 -21.894 -10.448 -14.478
   41    HD1  HIS   5           HD1      HIS   5 -21.457 -12.648 -13.448
   42    HD2  HIS   5           HD2      HIS   5 -22.182  -9.732 -10.578
   43    HE1  HIS   5           HE1      HIS   5 -21.454 -13.852 -11.242
   44    HE2  HIS   5           HE2      HIS   5 -21.726 -12.042  -9.512
   45    H    GLY   6           H        GLY   6 -22.200  -6.730 -13.411
   46    HA2  GLY   6          1HA       GLY   6 -22.850  -5.370 -11.656
   47    HA3  GLY   6          2HA       GLY   6 -22.018  -6.455 -10.552
   48    H    LYS   7           H        LYS   7 -21.335  -4.488  -9.480
   49    HA   LYS   7           HA       LYS   7 -19.130  -3.133 -10.876
   50    HB2  LYS   7          1HB       LYS   7 -19.499  -1.301  -9.163
   51    HB3  LYS   7          2HB       LYS   7 -20.752  -1.491 -10.379
   52    HG2  LYS   7          1HG       LYS   7 -22.165  -2.650  -8.793
   53    HG3  LYS   7          2HG       LYS   7 -20.892  -2.584  -7.575
   54    HD2  LYS   7          1HD       LYS   7 -22.528  -0.855  -7.143
   55    HD3  LYS   7          2HD       LYS   7 -21.001  -0.121  -7.631
   56    HE2  LYS   7          1HE       LYS   7 -22.834   1.010  -8.722
   57    HE3  LYS   7          2HE       LYS   7 -21.885   0.132  -9.916
   58    HZ1  LYS   7          1HZ       LYS   7 -23.551  -1.631  -9.871
   59    HZ2  LYS   7          2HZ       LYS   7 -24.240  -0.150 -10.304
   60    HZ3  LYS   7          3HZ       LYS   7 -24.466  -0.761  -8.744
   61    H    ASN   8           H        ASN   8 -17.668  -4.767 -10.309
   62    HA   ASN   8           HA       ASN   8 -16.894  -4.738  -7.475
   63    HB2  ASN   8          1HB       ASN   8 -16.242  -7.087  -7.632
   64    HB3  ASN   8          2HB       ASN   8 -17.947  -6.886  -8.014
   65   HD21  ASN   8          1HD2      ASN   8 -16.147  -9.047  -8.696
   66   HD22  ASN   8          2HD2      ASN   8 -16.142  -9.160 -10.420
   67    H    SER   9           H        SER   9 -15.852  -4.815 -10.812
   68    HA   SER   9           HA       SER   9 -13.157  -5.177 -10.615
   69    HB2  SER   9          1HB       SER   9 -14.334  -4.930 -12.752
   70    HB3  SER   9          2HB       SER   9 -14.587  -3.218 -12.422
   71    HG   SER   9           HG       SER   9 -12.791  -3.448 -13.741
   72    H    TRP  10           H        TRP  10 -14.910  -2.114 -10.065
   73    HA   TRP  10           HA       TRP  10 -12.700  -0.454  -9.729
   74    HB2  TRP  10          1HB       TRP  10 -14.179   1.129  -8.782
   75    HB3  TRP  10          2HB       TRP  10 -15.188   0.203  -9.885
   76    HD1  TRP  10           HD1      TRP  10 -17.168  -1.208  -8.835
   77    HE1  TRP  10           HE1      TRP  10 -18.179  -1.342  -6.473
   78    HE3  TRP  10           HE3      TRP  10 -13.499   1.240  -6.257
   79    HZ2  TRP  10           HZ2      TRP  10 -17.514  -0.505  -3.856
   80    HZ3  TRP  10           HZ3      TRP  10 -13.765   1.535  -3.824
   81    HH2  TRP  10           HH2      TRP  10 -15.726   0.676  -2.651
   82    H    LYS  11           H        LYS  11 -14.289  -2.727  -7.678
   83    HA   LYS  11           HA       LYS  11 -13.071  -1.846  -5.228
   84    HB2  LYS  11          1HB       LYS  11 -15.347  -3.170  -5.766
   85    HB3  LYS  11          2HB       LYS  11 -14.286  -4.545  -5.484
   86    HG2  LYS  11          1HG       LYS  11 -13.728  -2.819  -3.409
   87    HG3  LYS  11          2HG       LYS  11 -15.468  -2.702  -3.634
   88    HD2  LYS  11          1HD       LYS  11 -14.902  -4.444  -2.016
   89    HD3  LYS  11          2HD       LYS  11 -15.674  -5.126  -3.448
   90    HE2  LYS  11          1HE       LYS  11 -13.577  -5.903  -4.299
   91    HE3  LYS  11          2HE       LYS  11 -12.687  -5.012  -3.064
   92    HZ1  LYS  11          1HZ       LYS  11 -14.532  -7.280  -2.537
   93    HZ2  LYS  11          2HZ       LYS  11 -13.629  -6.448  -1.378
   94    HZ3  LYS  11          3HZ       LYS  11 -12.846  -7.377  -2.551
   95    H    THR  12           H        THR  12 -12.593  -4.116  -7.735
   96    HA   THR  12           HA       THR  12 -10.577  -5.675  -6.491
   97    HB   THR  12           HB       THR  12 -10.703  -5.345  -9.458
   98    HG1  THR  12           HG1      THR  12 -12.852  -5.864  -7.935
   99   HG21  THR  12          1HG2      THR  12 -10.438  -7.692  -7.603
  100   HG22  THR  12          2HG2      THR  12  -9.102  -6.865  -8.415
  101   HG23  THR  12          3HG2      THR  12 -10.313  -7.743  -9.364
  102    H    LEU  13           H        LEU  13 -10.654  -2.713  -8.374
  103    HA   LEU  13           HA       LEU  13  -7.836  -2.354  -8.595
  104    HB2  LEU  13          1HB       LEU  13  -9.665  -0.028  -8.114
  105    HB3  LEU  13          2HB       LEU  13  -8.283  -0.129  -9.186
  106    HG   LEU  13           HG       LEU  13 -11.051  -1.163  -9.612
  107   HD11  LEU  13          1HD1      LEU  13  -9.396   0.943 -10.990
  108   HD12  LEU  13          2HD1      LEU  13 -10.823   1.194  -9.984
  109   HD13  LEU  13          3HD1      LEU  13 -10.974   0.384 -11.543
  110   HD21  LEU  13          1HD2      LEU  13 -10.266  -1.914 -11.838
  111   HD22  LEU  13          2HD2      LEU  13  -9.483  -2.799 -10.529
  112   HD23  LEU  13          3HD2      LEU  13  -8.611  -1.518 -11.372
  113    H    TYR  14           H        TYR  14 -10.138  -2.132  -6.127
  114    HA   TYR  14           HA       TYR  14  -8.864   0.003  -4.700
  115    HB2  TYR  14          1HB       TYR  14 -11.397  -0.462  -5.149
  116    HB3  TYR  14          2HB       TYR  14 -11.246  -1.469  -3.710
  117    HD1  TYR  14           HD1      TYR  14 -11.122   1.884  -5.067
  118    HD2  TYR  14           HD2      TYR  14 -10.818  -0.510  -1.572
  119    HE1  TYR  14           HE1      TYR  14 -11.281   3.915  -3.659
  120    HE2  TYR  14           HE2      TYR  14 -10.968   1.471  -0.157
  121    HH   TYR  14           HH       TYR  14 -11.837   4.579  -1.428
  122    H    LEU  15           H        LEU  15  -9.893  -3.314  -4.024
  123    HA   LEU  15           HA       LEU  15  -8.604  -3.489  -1.526
  124    HB2  LEU  15          1HB       LEU  15  -9.041  -5.817  -1.644
  125    HB3  LEU  15          2HB       LEU  15 -10.372  -5.038  -2.481
  126    HG   LEU  15           HG       LEU  15  -8.580  -5.553  -4.519
  127   HD11  LEU  15          1HD1      LEU  15  -7.987  -7.907  -4.295
  128   HD12  LEU  15          2HD1      LEU  15  -8.618  -7.916  -2.649
  129   HD13  LEU  15          3HD1      LEU  15  -7.211  -6.930  -3.049
  130   HD21  LEU  15          1HD2      LEU  15 -10.991  -5.793  -4.613
  131   HD22  LEU  15          2HD2      LEU  15 -10.905  -7.217  -3.575
  132   HD23  LEU  15          3HD2      LEU  15 -10.192  -7.258  -5.187
  133    H    LYS  16           H        LYS  16  -7.557  -3.615  -4.783
  134    HA   LYS  16           HA       LYS  16  -4.984  -4.785  -4.306
  135    HB2  LYS  16          1HB       LYS  16  -6.010  -4.997  -6.516
  136    HB3  LYS  16          2HB       LYS  16  -6.132  -3.253  -6.651
  137    HG2  LYS  16          1HG       LYS  16  -3.450  -4.506  -6.297
  138    HG3  LYS  16          2HG       LYS  16  -4.231  -4.532  -7.877
  139    HD2  LYS  16          1HD       LYS  16  -3.926  -1.993  -6.286
  140    HD3  LYS  16          2HD       LYS  16  -2.651  -2.580  -7.369
  141    HE2  LYS  16          1HE       LYS  16  -4.473  -2.686  -9.169
  142    HE3  LYS  16          2HE       LYS  16  -5.447  -1.716  -8.067
  143    HZ1  LYS  16          1HZ       LYS  16  -2.801  -0.955  -9.174
  144    HZ2  LYS  16          2HZ       LYS  16  -3.719  -0.017  -8.110
  145    HZ3  LYS  16          3HZ       LYS  16  -4.295  -0.337  -9.667
  146    H    ILE  17           H        ILE  17  -6.401  -1.643  -4.868
  147    HA   ILE  17           HA       ILE  17  -4.196  -0.003  -5.008
  148    HB   ILE  17           HB       ILE  17  -6.931   0.325  -5.032
  149   HG12  ILE  17          1HG1      ILE  17  -6.294   2.808  -5.297
  150   HG13  ILE  17          2HG1      ILE  17  -4.638   2.252  -5.048
  151   HG21  ILE  17          1HG2      ILE  17  -5.904   1.946  -2.694
  152   HG22  ILE  17          2HG2      ILE  17  -7.033   0.593  -2.590
  153   HG23  ILE  17          3HG2      ILE  17  -7.503   2.071  -3.433
  154   HD11  ILE  17          1HD1      ILE  17  -6.515   1.305  -7.201
  155   HD12  ILE  17          2HD1      ILE  17  -4.864   0.743  -6.952
  156   HD13  ILE  17          3HD1      ILE  17  -5.162   2.418  -7.418
  157    H    SER  18           H        SER  18  -5.788  -1.350  -2.274
  158    HA   SER  18           HA       SER  18  -4.358   0.356  -0.443
  159    HB2  SER  18          1HB       SER  18  -6.215  -1.961   0.164
  160    HB3  SER  18          2HB       SER  18  -5.698  -0.708   1.288
  161    HG   SER  18           HG       SER  18  -7.446  -0.500  -0.924
  162    H    PHE  19           H        PHE  19  -4.397  -2.864  -1.650
  163    HA   PHE  19           HA       PHE  19  -2.701  -4.192   0.108
  164    HB2  PHE  19          1HB       PHE  19  -3.640  -5.717  -1.278
  165    HB3  PHE  19          2HB       PHE  19  -3.767  -4.554  -2.599
  166    HD1  PHE  19           HD1      PHE  19  -2.404  -4.712  -4.415
  167    HD2  PHE  19           HD2      PHE  19  -1.276  -6.690  -0.824
  168    HE1  PHE  19           HE1      PHE  19  -0.508  -5.710  -5.584
  169    HE2  PHE  19           HE2      PHE  19   0.629  -7.716  -1.984
  170    HZ   PHE  19           HZ       PHE  19   1.022  -7.237  -4.376
  171    H    LEU  20           H        LEU  20  -1.780  -2.782  -3.089
  172    HA   LEU  20           HA       LEU  20   0.990  -3.221  -2.447
  173    HB2  LEU  20          1HB       LEU  20   1.557  -2.338  -4.521
  174    HB3  LEU  20          2HB       LEU  20  -0.012  -3.060  -4.809
  175    HG   LEU  20           HG       LEU  20   0.437  -0.117  -4.327
  176   HD11  LEU  20          1HD1      LEU  20   0.013  -1.619  -6.905
  177   HD12  LEU  20          2HD1      LEU  20   1.504  -0.822  -6.398
  178   HD13  LEU  20          3HD1      LEU  20   0.060   0.135  -6.731
  179   HD21  LEU  20          1HD2      LEU  20  -1.938  -1.803  -4.980
  180   HD22  LEU  20          2HD2      LEU  20  -1.870  -0.102  -5.465
  181   HD23  LEU  20          3HD2      LEU  20  -1.763  -0.533  -3.752
  182    H    GLY  21           H        GLY  21  -1.325  -0.796  -1.937
  183    HA2  GLY  21          1HA       GLY  21   0.355   1.399  -1.349
  184    HA3  GLY  21          2HA       GLY  21  -1.308   1.166  -0.823
  185    H    CYS  22           H        CYS  22  -0.117  -1.515   0.213
  186    HA   CYS  22           HA       CYS  22   0.497  -0.658   2.908
  187    HB2  CYS  22          1HB       CYS  22   0.301  -3.395   1.630
  188    HB3  CYS  22          2HB       CYS  22   0.662  -3.115   3.324
  189    HG   CYS  22           HG       CYS  22  -2.264  -2.216   1.789
  190    H    LYS  23           H        LYS  23   1.892  -2.549   0.322
  191    HA   LYS  23           HA       LYS  23   4.475  -2.875   1.243
  192    HB2  LYS  23          1HB       LYS  23   3.390  -2.408  -1.491
  193    HB3  LYS  23          2HB       LYS  23   5.063  -2.865  -1.205
  194    HG2  LYS  23          1HG       LYS  23   4.303  -4.953  -0.157
  195    HG3  LYS  23          2HG       LYS  23   2.632  -4.497  -0.491
  196    HD2  LYS  23          1HD       LYS  23   3.028  -4.575  -2.861
  197    HD3  LYS  23          2HD       LYS  23   4.754  -4.835  -2.604
  198    HE2  LYS  23          1HE       LYS  23   2.561  -6.721  -1.753
  199    HE3  LYS  23          2HE       LYS  23   3.557  -6.907  -3.194
  200    HZ1  LYS  23          1HZ       LYS  23   4.550  -6.899  -0.396
  201    HZ2  LYS  23          2HZ       LYS  23   5.509  -7.072  -1.777
  202    HZ3  LYS  23          3HZ       LYS  23   4.377  -8.263  -1.379
  203    H    VAL  24           H        VAL  24   2.918  -0.287  -0.375
  204    HA   VAL  24           HA       VAL  24   5.284   1.313  -0.571
  205    HB   VAL  24           HB       VAL  24   2.417   2.048  -1.012
  206   HG11  VAL  24          1HG1      VAL  24   4.918   3.511  -1.816
  207   HG12  VAL  24          2HG1      VAL  24   3.777   4.016  -0.570
  208   HG13  VAL  24          3HG1      VAL  24   3.275   3.969  -2.261
  209   HG21  VAL  24          1HG2      VAL  24   4.556   1.352  -3.006
  210   HG22  VAL  24          2HG2      VAL  24   2.862   1.705  -3.361
  211   HG23  VAL  24          3HG2      VAL  24   3.296   0.248  -2.456
  212    H    VAL  25           H        VAL  25   2.756   0.762   1.647
  213    HA   VAL  25           HA       VAL  25   3.116   3.091   3.254
  214    HB   VAL  25           HB       VAL  25   1.801   0.492   3.622
  215   HG11  VAL  25          1HG1      VAL  25   3.377   0.246   5.454
  216   HG12  VAL  25          2HG1      VAL  25   1.775   0.612   6.092
  217   HG13  VAL  25          3HG1      VAL  25   3.007   1.874   6.020
  218   HG21  VAL  25          1HG2      VAL  25   0.600   2.527   3.226
  219   HG22  VAL  25          2HG2      VAL  25   1.347   3.274   4.645
  220   HG23  VAL  25          3HG2      VAL  25   0.218   1.929   4.842
  221    H    ALA  26           H        ALA  26   4.674  -0.016   3.006
  222    HA   ALA  26           HA       ALA  26   6.376   0.245   5.203
  223    HB1  ALA  26          1HB       ALA  26   7.696  -1.537   4.192
  224    HB2  ALA  26          2HB       ALA  26   6.836  -1.316   2.669
  225    HB3  ALA  26          3HB       ALA  26   5.973  -1.894   4.094
  226    H    LEU  27           H        LEU  27   6.550   1.598   1.962
  227    HA   LEU  27           HA       LEU  27   9.241   2.532   2.594
  228    HB2  LEU  27          1HB       LEU  27   9.372   3.404   0.367
  229    HB3  LEU  27          2HB       LEU  27   8.835   1.741   0.340
  230    HG   LEU  27           HG       LEU  27   6.453   2.827   0.152
  231   HD11  LEU  27          1HD1      LEU  27   7.176   5.132   0.463
  232   HD12  LEU  27          2HD1      LEU  27   6.478   4.902  -1.140
  233   HD13  LEU  27          3HD1      LEU  27   8.227   5.003  -0.947
  234   HD21  LEU  27          1HD2      LEU  27   8.447   2.689  -2.102
  235   HD22  LEU  27          2HD2      LEU  27   6.698   2.770  -2.304
  236   HD23  LEU  27          3HD2      LEU  27   7.430   1.376  -1.510
  237    H    LEU  28           H        LEU  28   6.006   3.645   2.683
  238    HA   LEU  28           HA       LEU  28   6.668   6.452   2.634
  239    HB2  LEU  28          1HB       LEU  28   4.654   6.040   1.613
  240    HB3  LEU  28          2HB       LEU  28   4.204   4.801   2.765
  241    HG   LEU  28           HG       LEU  28   4.212   7.075   4.306
  242   HD11  LEU  28          1HD1      LEU  28   4.485   8.496   2.350
  243   HD12  LEU  28          2HD1      LEU  28   2.896   8.721   3.082
  244   HD13  LEU  28          3HD1      LEU  28   3.060   7.765   1.609
  245   HD21  LEU  28          1HD2      LEU  28   2.610   5.248   4.353
  246   HD22  LEU  28          2HD2      LEU  28   1.923   5.799   2.822
  247   HD23  LEU  28          3HD2      LEU  28   1.790   6.810   4.261
  248    H    LYS  29           H        LYS  29   4.691   4.689   5.012
  249    HA   LYS  29           HA       LYS  29   5.693   6.439   7.093
  250    HB2  LYS  29          1HB       LYS  29   4.038   5.217   8.541
  251    HB3  LYS  29          2HB       LYS  29   3.348   6.113   7.195
  252    HG2  LYS  29          1HG       LYS  29   3.205   4.035   5.906
  253    HG3  LYS  29          2HG       LYS  29   3.842   3.151   7.297
  254    HD2  LYS  29          1HD       LYS  29   1.310   4.792   7.340
  255    HD3  LYS  29          2HD       LYS  29   1.362   3.045   7.101
  256    HE2  LYS  29          1HE       LYS  29   2.449   2.793   9.287
  257    HE3  LYS  29          2HE       LYS  29   2.363   4.537   9.524
  258    HZ1  LYS  29          1HZ       LYS  29   0.573   3.383  10.663
  259    HZ2  LYS  29          2HZ       LYS  29   0.029   2.731   9.202
  260    HZ3  LYS  29          3HZ       LYS  29  -0.037   4.401   9.459
  261    H    ARG  30           H        ARG  30   5.988   3.275   5.911
  262    HA   ARG  30           HA       ARG  30   7.422   1.587   6.313
  263    HB2  ARG  30          1HB       ARG  30   8.873   3.536   8.111
  264    HB3  ARG  30          2HB       ARG  30   9.509   2.009   7.522
  265    HG2  ARG  30          1HG       ARG  30   9.438   2.846   5.235
  266    HG3  ARG  30          2HG       ARG  30   8.772   4.375   5.813
  267    HD2  ARG  30          1HD       ARG  30  11.467   3.219   6.505
  268    HD3  ARG  30          2HD       ARG  30  11.158   4.581   5.428
  269    HE   ARG  30           HE       ARG  30  10.038   5.466   7.654
  270   HH11  ARG  30          1HH1      ARG  30  13.105   3.846   7.199
  271   HH12  ARG  30          2HH1      ARG  30  13.862   4.635   8.546
  272   HH21  ARG  30          1HH2      ARG  30  11.027   6.501   9.428
  273   HH22  ARG  30          2HH2      ARG  30  12.685   6.157   9.804
  Start of MODEL    7
    1    H1   MET   1          1H        MET   1 -34.550   0.819 -10.540
    2    H2   MET   1          2H        MET   1 -35.024  -0.616 -11.291
    3    H3   MET   1          3H        MET   1 -33.486   0.017 -11.576
    4    HA   MET   1           HA       MET   1 -32.826  -0.365  -9.331
    5    HB2  MET   1          1HB       MET   1 -35.649  -1.396  -9.027
    6    HB3  MET   1          2HB       MET   1 -34.374  -1.696  -7.858
    7    HG2  MET   1          1HG       MET   1 -35.460   0.992  -8.660
    8    HG3  MET   1          2HG       MET   1 -35.782   0.139  -7.153
    9    HE1  MET   1          1HE       MET   1 -32.997  -1.099  -6.427
   10    HE2  MET   1          2HE       MET   1 -33.953  -0.229  -5.228
   11    HE3  MET   1          3HE       MET   1 -32.250   0.162  -5.448
   12    H    ALA   2           H        ALA   2 -32.281  -1.505 -11.739
   13    HA   ALA   2           HA       ALA   2 -32.263  -4.370 -11.075
   14    HB1  ALA   2          1HB       ALA   2 -32.695  -3.221 -13.832
   15    HB2  ALA   2          2HB       ALA   2 -33.930  -3.980 -12.827
   16    HB3  ALA   2          3HB       ALA   2 -32.573  -4.934 -13.425
   17    H    THR   3           H        THR   3 -30.439  -5.505 -11.673
   18    HA   THR   3           HA       THR   3 -28.209  -5.825 -11.828
   19    HB   THR   3           HB       THR   3 -27.153  -4.805 -13.923
   20    HG1  THR   3           HG1      THR   3 -29.333  -3.317 -13.838
   21   HG21  THR   3          1HG2      THR   3 -28.040  -7.077 -13.835
   22   HG22  THR   3          2HG2      THR   3 -28.377  -6.330 -15.397
   23   HG23  THR   3          3HG2      THR   3 -29.655  -6.469 -14.192
   24    H    LYS   4           H        LYS   4 -28.648  -3.999  -9.881
   25    HA   LYS   4           HA       LYS   4 -26.820  -1.769 -10.291
   26    HB2  LYS   4          1HB       LYS   4 -28.480  -2.596  -7.909
   27    HB3  LYS   4          2HB       LYS   4 -27.422  -1.194  -7.928
   28    HG2  LYS   4          1HG       LYS   4 -28.735  -0.239  -9.761
   29    HG3  LYS   4          2HG       LYS   4 -29.804  -1.640  -9.712
   30    HD2  LYS   4          1HD       LYS   4 -30.951  -0.042  -8.469
   31    HD3  LYS   4          2HD       LYS   4 -30.157  -1.025  -7.242
   32    HE2  LYS   4          1HE       LYS   4 -29.070   1.581  -8.300
   33    HE3  LYS   4          2HE       LYS   4 -30.042   1.436  -6.840
   34    HZ1  LYS   4          1HZ       LYS   4 -28.283  -0.140  -6.025
   35    HZ2  LYS   4          2HZ       LYS   4 -27.814   1.474  -6.157
   36    HZ3  LYS   4          3HZ       LYS   4 -27.325   0.362  -7.327
   37    H    HIS   5           H        HIS   5 -26.199  -4.759 -10.060
   38    HA   HIS   5           HA       HIS   5 -23.813  -4.373  -8.431
   39    HB2  HIS   5          1HB       HIS   5 -24.025  -6.619  -7.442
   40    HB3  HIS   5          2HB       HIS   5 -25.364  -5.583  -6.973
   41    HD1  HIS   5           HD1      HIS   5 -27.715  -6.245  -7.768
   42    HD2  HIS   5           HD2      HIS   5 -24.717  -8.804  -9.093
   43    HE1  HIS   5           HE1      HIS   5 -28.902  -8.263  -8.684
   44    HE2  HIS   5           HE2      HIS   5 -27.065  -9.860  -9.329
   45    H    GLY   6           H        GLY   6 -22.022  -5.540  -9.145
   46    HA2  GLY   6          1HA       GLY   6 -21.535  -7.516 -10.770
   47    HA3  GLY   6          2HA       GLY   6 -22.268  -6.424 -11.932
   48    H    LYS   7           H        LYS   7 -21.216  -4.074 -10.670
   49    HA   LYS   7           HA       LYS   7 -18.614  -4.017 -11.863
   50    HB2  LYS   7          1HB       LYS   7 -18.574  -1.650 -10.992
   51    HB3  LYS   7          2HB       LYS   7 -19.892  -2.023 -12.092
   52    HG2  LYS   7          1HG       LYS   7 -21.440  -2.181 -10.251
   53    HG3  LYS   7          2HG       LYS   7 -20.130  -1.960  -9.092
   54    HD2  LYS   7          1HD       LYS   7 -21.250   0.132  -9.315
   55    HD3  LYS   7          2HD       LYS   7 -19.697   0.274 -10.136
   56    HE2  LYS   7          1HE       LYS   7 -21.400   1.300 -11.490
   57    HE3  LYS   7          2HE       LYS   7 -20.845  -0.172 -12.284
   58    HZ1  LYS   7          1HZ       LYS   7 -22.800  -1.315 -11.411
   59    HZ2  LYS   7          2HZ       LYS   7 -23.240   0.001 -12.376
   60    HZ3  LYS   7          3HZ       LYS   7 -23.336   0.117 -10.691
   61    H    ASN   8           H        ASN   8 -17.280  -5.361 -10.759
   62    HA   ASN   8           HA       ASN   8 -16.808  -4.681  -7.933
   63    HB2  ASN   8          1HB       ASN   8 -16.203  -6.980  -7.503
   64    HB3  ASN   8          2HB       ASN   8 -17.794  -6.934  -8.253
   65   HD21  ASN   8          1HD2      ASN   8 -18.037  -7.676 -10.377
   66   HD22  ASN   8          2HD2      ASN   8 -16.841  -8.675 -11.129
   67    H    SER   9           H        SER   9 -15.426  -5.136 -11.047
   68    HA   SER   9           HA       SER   9 -12.782  -5.601 -10.509
   69    HB2  SER   9          1HB       SER   9 -13.888  -3.821 -12.685
   70    HB3  SER   9          2HB       SER   9 -12.309  -4.606 -12.682
   71    HG   SER   9           HG       SER   9 -13.316  -6.597 -12.796
   72    H    TRP  10           H        TRP  10 -14.493  -2.490 -10.355
   73    HA   TRP  10           HA       TRP  10 -12.253  -0.829 -10.077
   74    HB2  TRP  10          1HB       TRP  10 -13.733   0.863  -9.358
   75    HB3  TRP  10          2HB       TRP  10 -14.705  -0.129 -10.435
   76    HD1  TRP  10           HD1      TRP  10 -16.791  -1.365  -9.390
   77    HE1  TRP  10           HE1      TRP  10 -17.961  -1.249  -7.107
   78    HE3  TRP  10           HE3      TRP  10 -13.195   1.171  -6.773
   79    HZ2  TRP  10           HZ2      TRP  10 -17.438  -0.210  -4.540
   80    HZ3  TRP  10           HZ3      TRP  10 -13.621   1.686  -4.405
   81    HH2  TRP  10           HH2      TRP  10 -15.692   1.001  -3.312
   82    H    LYS  11           H        LYS  11 -14.009  -2.876  -7.952
   83    HA   LYS  11           HA       LYS  11 -12.903  -1.804  -5.520
   84    HB2  LYS  11          1HB       LYS  11 -15.234  -2.977  -6.048
   85    HB3  LYS  11          2HB       LYS  11 -14.317  -4.423  -5.653
   86    HG2  LYS  11          1HG       LYS  11 -13.690  -2.630  -3.650
   87    HG3  LYS  11          2HG       LYS  11 -15.406  -2.401  -3.948
   88    HD2  LYS  11          1HD       LYS  11 -15.054  -4.089  -2.234
   89    HD3  LYS  11          2HD       LYS  11 -15.778  -4.805  -3.676
   90    HE2  LYS  11          1HE       LYS  11 -13.585  -5.631  -4.376
   91    HE3  LYS  11          2HE       LYS  11 -12.847  -4.877  -2.965
   92    HZ1  LYS  11          1HZ       LYS  11 -13.223  -7.229  -2.603
   93    HZ2  LYS  11          2HZ       LYS  11 -14.874  -7.043  -2.905
   94    HZ3  LYS  11          3HZ       LYS  11 -14.178  -6.315  -1.546
   95    H    THR  12           H        THR  12 -12.440  -4.374  -7.746
   96    HA   THR  12           HA       THR  12 -10.548  -5.871  -6.287
   97    HB   THR  12           HB       THR  12 -10.441  -5.727  -9.271
   98    HG1  THR  12           HG1      THR  12 -12.619  -6.591  -7.677
   99   HG21  THR  12          1HG2      THR  12 -10.429  -7.970  -7.269
  100   HG22  THR  12          2HG2      THR  12  -8.996  -7.241  -8.000
  101   HG23  THR  12          3HG2      THR  12 -10.151  -8.125  -9.005
  102    H    LEU  13           H        LEU  13 -10.393  -3.070  -8.407
  103    HA   LEU  13           HA       LEU  13  -7.574  -2.782  -8.456
  104    HB2  LEU  13          1HB       LEU  13  -9.342  -0.374  -8.225
  105    HB3  LEU  13          2HB       LEU  13  -7.905  -0.587  -9.206
  106    HG   LEU  13           HG       LEU  13 -10.663  -1.597  -9.724
  107   HD11  LEU  13          1HD1      LEU  13 -10.360   0.754 -10.191
  108   HD12  LEU  13          2HD1      LEU  13 -10.521  -0.142 -11.700
  109   HD13  LEU  13          3HD1      LEU  13  -8.932   0.403 -11.164
  110   HD21  LEU  13          1HD2      LEU  13  -8.150  -2.031 -11.352
  111   HD22  LEU  13          2HD2      LEU  13  -9.780  -2.482 -11.845
  112   HD23  LEU  13          3HD2      LEU  13  -9.029  -3.272 -10.460
  113    H    TYR  14           H        TYR  14  -9.990  -2.362  -6.133
  114    HA   TYR  14           HA       TYR  14  -8.726  -0.174  -4.776
  115    HB2  TYR  14          1HB       TYR  14 -11.258  -0.603  -5.287
  116    HB3  TYR  14          2HB       TYR  14 -11.174  -1.518  -3.780
  117    HD1  TYR  14           HD1      TYR  14 -10.678  -0.428  -1.698
  118    HD2  TYR  14           HD2      TYR  14 -10.967   1.722  -5.347
  119    HE1  TYR  14           HE1      TYR  14 -10.742   1.646  -0.418
  120    HE2  TYR  14           HE2      TYR  14 -11.057   3.852  -4.078
  121    HH   TYR  14           HH       TYR  14 -10.241   4.078  -0.802
  122    H    LEU  15           H        LEU  15  -9.843  -3.436  -3.999
  123    HA   LEU  15           HA       LEU  15  -8.666  -3.506  -1.435
  124    HB2  LEU  15          1HB       LEU  15  -9.175  -5.833  -1.460
  125    HB3  LEU  15          2HB       LEU  15 -10.469  -5.017  -2.318
  126    HG   LEU  15           HG       LEU  15  -8.750  -5.683  -4.354
  127   HD11  LEU  15          1HD1      LEU  15  -8.813  -7.980  -2.404
  128   HD12  LEU  15          2HD1      LEU  15  -7.390  -7.032  -2.834
  129   HD13  LEU  15          3HD1      LEU  15  -8.188  -8.026  -4.052
  130   HD21  LEU  15          1HD2      LEU  15 -11.150  -5.864  -4.415
  131   HD22  LEU  15          2HD2      LEU  15 -11.109  -7.205  -3.264
  132   HD23  LEU  15          3HD2      LEU  15 -10.424  -7.406  -4.877
  133    H    LYS  16           H        LYS  16  -7.507  -3.805  -4.627
  134    HA   LYS  16           HA       LYS  16  -4.961  -4.971  -3.981
  135    HB2  LYS  16          1HB       LYS  16  -5.890  -5.349  -6.193
  136    HB3  LYS  16          2HB       LYS  16  -6.059  -3.628  -6.463
  137    HG2  LYS  16          1HG       LYS  16  -3.366  -4.867  -6.023
  138    HG3  LYS  16          2HG       LYS  16  -4.133  -4.864  -7.610
  139    HD2  LYS  16          1HD       LYS  16  -3.740  -2.361  -5.974
  140    HD3  LYS  16          2HD       LYS  16  -2.533  -2.949  -7.129
  141    HE2  LYS  16          1HE       LYS  16  -5.395  -2.220  -7.772
  142    HE3  LYS  16          2HE       LYS  16  -3.979  -1.231  -8.118
  143    HZ1  LYS  16          1HZ       LYS  16  -4.708  -2.461 -10.063
  144    HZ2  LYS  16          2HZ       LYS  16  -4.509  -3.926  -9.249
  145    HZ3  LYS  16          3HZ       LYS  16  -3.165  -2.958  -9.590
  146    H    ILE  17           H        ILE  17  -6.410  -1.852  -4.567
  147    HA   ILE  17           HA       ILE  17  -4.146  -0.258  -4.843
  148    HB   ILE  17           HB       ILE  17  -6.848   0.152  -4.987
  149   HG12  ILE  17          1HG1      ILE  17  -6.143   2.591  -5.323
  150   HG13  ILE  17          2HG1      ILE  17  -4.519   2.042  -4.902
  151   HG21  ILE  17          1HG2      ILE  17  -7.082   0.491  -2.570
  152   HG22  ILE  17          2HG2      ILE  17  -7.423   1.977  -3.457
  153   HG23  ILE  17          3HG2      ILE  17  -5.879   1.780  -2.629
  154   HD11  ILE  17          1HD1      ILE  17  -6.189   0.936  -7.148
  155   HD12  ILE  17          2HD1      ILE  17  -4.522   0.505  -6.762
  156   HD13  ILE  17          3HD1      ILE  17  -4.903   2.131  -7.333
  157    H    SER  18           H        SER  18  -5.747  -1.512  -2.092
  158    HA   SER  18           HA       SER  18  -4.314   0.210  -0.277
  159    HB2  SER  18          1HB       SER  18  -6.619  -0.387   0.270
  160    HB3  SER  18          2HB       SER  18  -6.231  -2.097   0.207
  161    HG   SER  18           HG       SER  18  -5.179  -0.211   2.051
  162    H    PHE  19           H        PHE  19  -4.339  -3.019  -1.478
  163    HA   PHE  19           HA       PHE  19  -2.537  -4.317   0.184
  164    HB2  PHE  19          1HB       PHE  19  -3.486  -5.846  -1.189
  165    HB3  PHE  19          2HB       PHE  19  -3.682  -4.674  -2.488
  166    HD1  PHE  19           HD1      PHE  19  -2.361  -4.745  -4.340
  167    HD2  PHE  19           HD2      PHE  19  -1.111  -6.810  -0.841
  168    HE1  PHE  19           HE1      PHE  19  -0.488  -5.685  -5.589
  169    HE2  PHE  19           HE2      PHE  19   0.773  -7.777  -2.085
  170    HZ   PHE  19           HZ       PHE  19   1.090  -7.220  -4.468
  171    H    LEU  20           H        LEU  20  -1.748  -2.860  -3.029
  172    HA   LEU  20           HA       LEU  20   1.053  -3.232  -2.507
  173    HB2  LEU  20          1HB       LEU  20   1.502  -2.347  -4.604
  174    HB3  LEU  20          2HB       LEU  20  -0.075  -3.072  -4.822
  175    HG   LEU  20           HG       LEU  20   0.374  -0.133  -4.331
  176   HD11  LEU  20          1HD1      LEU  20  -0.112  -1.607  -6.915
  177   HD12  LEU  20          2HD1      LEU  20   1.370  -0.774  -6.452
  178   HD13  LEU  20          3HD1      LEU  20  -0.109   0.144  -6.723
  179   HD21  LEU  20          1HD2      LEU  20  -1.798  -0.561  -3.689
  180   HD22  LEU  20          2HD2      LEU  20  -2.001  -1.835  -4.907
  181   HD23  LEU  20          3HD2      LEU  20  -1.974  -0.136  -5.400
  182    H    GLY  21           H        GLY  21  -1.294  -0.856  -1.898
  183    HA2  GLY  21          1HA       GLY  21   0.373   1.356  -1.337
  184    HA3  GLY  21          2HA       GLY  21  -1.267   1.088  -0.755
  185    H    CYS  22           H        CYS  22   0.020  -1.599   0.175
  186    HA   CYS  22           HA       CYS  22   0.672  -0.774   2.880
  187    HB2  CYS  22          1HB       CYS  22   0.460  -3.499   1.582
  188    HB3  CYS  22          2HB       CYS  22   0.872  -3.231   3.266
  189    HG   CYS  22           HG       CYS  22  -2.085  -2.170   1.920
  190    H    LYS  23           H        LYS  23   1.998  -2.579   0.213
  191    HA   LYS  23           HA       LYS  23   4.604  -2.962   1.009
  192    HB2  LYS  23          1HB       LYS  23   3.432  -2.276  -1.651
  193    HB3  LYS  23          2HB       LYS  23   5.108  -2.768  -1.449
  194    HG2  LYS  23          1HG       LYS  23   4.364  -4.936  -0.576
  195    HG3  LYS  23          2HG       LYS  23   2.686  -4.441  -0.803
  196    HD2  LYS  23          1HD       LYS  23   2.989  -4.298  -3.181
  197    HD3  LYS  23          2HD       LYS  23   4.722  -4.579  -3.022
  198    HE2  LYS  23          1HE       LYS  23   2.572  -6.546  -2.251
  199    HE3  LYS  23          2HE       LYS  23   3.471  -6.581  -3.766
  200    HZ1  LYS  23          1HZ       LYS  23   4.398  -8.113  -2.148
  201    HZ2  LYS  23          2HZ       LYS  23   4.651  -6.855  -1.054
  202    HZ3  LYS  23          3HZ       LYS  23   5.510  -6.893  -2.508
  203    H    VAL  24           H        VAL  24   2.999  -0.257  -0.397
  204    HA   VAL  24           HA       VAL  24   5.415   1.289  -0.567
  205    HB   VAL  24           HB       VAL  24   2.583   2.128  -1.067
  206   HG11  VAL  24          1HG1      VAL  24   4.010   4.030  -0.627
  207   HG12  VAL  24          2HG1      VAL  24   3.576   3.980  -2.335
  208   HG13  VAL  24          3HG1      VAL  24   5.174   3.452  -1.816
  209   HG21  VAL  24          1HG2      VAL  24   3.314   0.299  -2.515
  210   HG22  VAL  24          2HG2      VAL  24   4.714   1.256  -3.002
  211   HG23  VAL  24          3HG2      VAL  24   3.087   1.794  -3.427
  212    H    VAL  25           H        VAL  25   2.794   0.799   1.568
  213    HA   VAL  25           HA       VAL  25   3.232   3.084   3.214
  214    HB   VAL  25           HB       VAL  25   1.818   0.517   3.571
  215   HG11  VAL  25          1HG1      VAL  25   3.373   0.411   5.492
  216   HG12  VAL  25          2HG1      VAL  25   1.702   0.656   6.000
  217   HG13  VAL  25          3HG1      VAL  25   2.830   2.012   5.994
  218   HG21  VAL  25          1HG2      VAL  25   0.676   2.549   3.035
  219   HG22  VAL  25          2HG2      VAL  25   1.387   3.349   4.443
  220   HG23  VAL  25          3HG2      VAL  25   0.222   2.041   4.663
  221    H    ALA  26           H        ALA  26   4.697  -0.033   2.851
  222    HA   ALA  26           HA       ALA  26   6.325   0.050   5.121
  223    HB1  ALA  26          1HB       ALA  26   7.638  -1.702   4.047
  224    HB2  ALA  26          2HB       ALA  26   6.838  -1.367   2.512
  225    HB3  ALA  26          3HB       ALA  26   5.910  -2.008   3.869
  226    H    LEU  27           H        LEU  27   6.649   1.560   1.952
  227    HA   LEU  27           HA       LEU  27   9.323   2.411   2.728
  228    HB2  LEU  27          1HB       LEU  27   9.567   3.368   0.538
  229    HB3  LEU  27          2HB       LEU  27   9.011   1.713   0.436
  230    HG   LEU  27           HG       LEU  27   6.648   2.837   0.183
  231   HD11  LEU  27          1HD1      LEU  27   7.383   5.124   0.583
  232   HD12  LEU  27          2HD1      LEU  27   6.759   4.945  -1.057
  233   HD13  LEU  27          3HD1      LEU  27   8.499   5.017  -0.778
  234   HD21  LEU  27          1HD2      LEU  27   7.667   1.417  -1.478
  235   HD22  LEU  27          2HD2      LEU  27   8.736   2.723  -1.987
  236   HD23  LEU  27          3HD2      LEU  27   7.000   2.846  -2.264
  237    H    LEU  28           H        LEU  28   6.117   3.640   2.611
  238    HA   LEU  28           HA       LEU  28   6.894   6.413   2.817
  239    HB2  LEU  28          1HB       LEU  28   4.986   6.210   1.584
  240    HB3  LEU  28          2HB       LEU  28   4.385   4.863   2.527
  241    HG   LEU  28           HG       LEU  28   4.319   7.054   4.262
  242   HD11  LEU  28          1HD1      LEU  28   4.598   8.555   2.367
  243   HD12  LEU  28          2HD1      LEU  28   2.969   8.682   3.031
  244   HD13  LEU  28          3HD1      LEU  28   3.247   7.780   1.540
  245   HD21  LEU  28          1HD2      LEU  28   2.794   5.136   4.135
  246   HD22  LEU  28          2HD2      LEU  28   2.116   5.791   2.641
  247   HD23  LEU  28          3HD2      LEU  28   1.930   6.677   4.155
  248    H    LYS  29           H        LYS  29   4.727   4.458   4.904
  249    HA   LYS  29           HA       LYS  29   5.351   6.162   7.166
  250    HB2  LYS  29          1HB       LYS  29   3.506   3.803   6.821
  251    HB3  LYS  29          2HB       LYS  29   3.788   4.559   8.382
  252    HG2  LYS  29          1HG       LYS  29   2.851   6.624   7.620
  253    HG3  LYS  29          2HG       LYS  29   2.725   6.008   5.972
  254    HD2  LYS  29          1HD       LYS  29   0.560   5.932   7.067
  255    HD3  LYS  29          2HD       LYS  29   1.140   4.299   6.750
  256    HE2  LYS  29          1HE       LYS  29   1.952   4.198   9.101
  257    HE3  LYS  29          2HE       LYS  29   1.201   5.768   9.383
  258    HZ1  LYS  29          1HZ       LYS  29  -0.233   3.978  10.109
  259    HZ2  LYS  29          2HZ       LYS  29  -0.208   3.285   8.569
  260    HZ3  LYS  29          3HZ       LYS  29  -0.941   4.789   8.806
  261    H    ARG  30           H        ARG  30   5.938   3.010   5.970
  262    HA   ARG  30           HA       ARG  30   7.442   1.413   6.420
  263    HB2  ARG  30          1HB       ARG  30   8.789   3.474   8.178
  264    HB3  ARG  30          2HB       ARG  30   9.512   1.975   7.605
  265    HG2  ARG  30          1HG       ARG  30   9.240   2.776   5.287
  266    HG3  ARG  30          2HG       ARG  30   8.634   4.306   5.919
  267    HD2  ARG  30          1HD       ARG  30  10.761   4.653   7.084
  268    HD3  ARG  30          2HD       ARG  30  11.362   3.131   6.424
  269    HE   ARG  30           HE       ARG  30  10.439   5.031   4.451
  270   HH11  ARG  30          1HH1      ARG  30  13.173   3.846   6.287
  271   HH12  ARG  30          2HH1      ARG  30  14.348   4.485   5.183
  272   HH21  ARG  30          1HH2      ARG  30  11.989   5.871   3.003
  273   HH22  ARG  30          2HH2      ARG  30  13.678   5.633   3.321
  Start of MODEL    8
    1    H1   MET   1          1H        MET   1 -16.444 -15.662 -19.908
    2    H2   MET   1          2H        MET   1 -17.765 -16.365 -19.126
    3    H3   MET   1          3H        MET   1 -16.989 -17.189 -20.380
    4    HA   MET   1           HA       MET   1 -16.400 -18.086 -18.216
    5    HB2  MET   1          1HB       MET   1 -14.806 -18.254 -20.063
    6    HB3  MET   1          2HB       MET   1 -14.169 -16.660 -19.684
    7    HG2  MET   1          1HG       MET   1 -12.707 -18.433 -18.887
    8    HG3  MET   1          2HG       MET   1 -13.340 -17.468 -17.556
    9    HE1  MET   1          1HE       MET   1 -13.059 -21.004 -15.930
   10    HE2  MET   1          2HE       MET   1 -12.637 -19.297 -15.798
   11    HE3  MET   1          3HE       MET   1 -11.951 -20.276 -17.094
   12    H    ALA   2           H        ALA   2 -16.969 -17.279 -16.285
   13    HA   ALA   2           HA       ALA   2 -16.918 -16.093 -14.351
   14    HB1  ALA   2          1HB       ALA   2 -14.721 -15.466 -13.512
   15    HB2  ALA   2          2HB       ALA   2 -14.038 -15.635 -15.130
   16    HB3  ALA   2          3HB       ALA   2 -14.664 -17.052 -14.286
   17    H    THR   3           H        THR   3 -18.192 -14.637 -16.101
   18    HA   THR   3           HA       THR   3 -16.984 -12.162 -16.791
   19    HB   THR   3           HB       THR   3 -18.892 -13.147 -18.048
   20    HG1  THR   3           HG1      THR   3 -18.407 -10.876 -18.167
   21   HG21  THR   3          1HG2      THR   3 -21.174 -12.841 -17.191
   22   HG22  THR   3          2HG2      THR   3 -20.518 -12.258 -15.661
   23   HG23  THR   3          3HG2      THR   3 -20.239 -13.925 -16.162
   24    H    LYS   4           H        LYS   4 -17.302 -10.125 -15.950
   25    HA   LYS   4           HA       LYS   4 -17.980 -10.009 -13.123
   26    HB2  LYS   4          1HB       LYS   4 -16.964  -7.830 -14.961
   27    HB3  LYS   4          2HB       LYS   4 -17.066  -7.750 -13.208
   28    HG2  LYS   4          1HG       LYS   4 -15.368  -9.409 -12.964
   29    HG3  LYS   4          2HG       LYS   4 -15.360  -9.722 -14.700
   30    HD2  LYS   4          1HD       LYS   4 -14.612  -7.411 -15.091
   31    HD3  LYS   4          2HD       LYS   4 -14.572  -7.148 -13.348
   32    HE2  LYS   4          1HE       LYS   4 -12.343  -7.624 -14.182
   33    HE3  LYS   4          2HE       LYS   4 -12.893  -8.924 -13.127
   34    HZ1  LYS   4          1HZ       LYS   4 -11.813  -9.784 -15.101
   35    HZ2  LYS   4          2HZ       LYS   4 -12.915  -8.980 -16.095
   36    HZ3  LYS   4          3HZ       LYS   4 -13.442 -10.227 -15.087
   37    H    HIS   5           H        HIS   5 -20.182 -10.158 -13.035
   38    HA   HIS   5           HA       HIS   5 -21.793  -8.480 -14.791
   39    HB2  HIS   5          1HB       HIS   5 -22.382 -10.888 -14.406
   40    HB3  HIS   5          2HB       HIS   5 -22.729 -10.487 -12.728
   41    HD1  HIS   5           HD1      HIS   5 -25.068  -9.789 -12.239
   42    HD2  HIS   5           HD2      HIS   5 -24.130  -9.427 -16.270
   43    HE1  HIS   5           HE1      HIS   5 -27.215  -9.139 -13.378
   44    HE2  HIS   5           HE2      HIS   5 -26.619  -8.906 -15.815
   45    H    GLY   6           H        GLY   6 -20.777  -6.615 -13.618
   46    HA2  GLY   6          1HA       GLY   6 -22.416  -5.018 -12.318
   47    HA3  GLY   6          2HA       GLY   6 -21.956  -6.084 -10.999
   48    H    LYS   7           H        LYS   7 -21.383  -3.594 -10.529
   49    HA   LYS   7           HA       LYS   7 -18.763  -2.897 -11.537
   50    HB2  LYS   7          1HB       LYS   7 -19.027  -0.915 -10.000
   51    HB3  LYS   7          2HB       LYS   7 -20.209  -1.045 -11.291
   52    HG2  LYS   7          1HG       LYS   7 -21.832  -1.959  -9.698
   53    HG3  LYS   7          2HG       LYS   7 -20.640  -1.800  -8.407
   54    HD2  LYS   7          1HD       LYS   7 -20.560   0.617  -8.787
   55    HD3  LYS   7          2HD       LYS   7 -21.759   0.454 -10.068
   56    HE2  LYS   7          1HE       LYS   7 -23.385  -0.370  -8.466
   57    HE3  LYS   7          2HE       LYS   7 -22.184  -0.288  -7.179
   58    HZ1  LYS   7          1HZ       LYS   7 -23.157   2.040  -8.735
   59    HZ2  LYS   7          2HZ       LYS   7 -22.088   2.087  -7.428
   60    HZ3  LYS   7          3HZ       LYS   7 -23.696   1.618  -7.188
   61    H    ASN   8           H        ASN   8 -17.556  -4.647 -10.725
   62    HA   ASN   8           HA       ASN   8 -16.981  -4.405  -7.847
   63    HB2  ASN   8          1HB       ASN   8 -16.233  -6.711  -7.853
   64    HB3  ASN   8          2HB       ASN   8 -17.870  -6.618  -8.486
   65   HD21  ASN   8          1HD2      ASN   8 -15.824  -8.671  -8.838
   66   HD22  ASN   8          2HD2      ASN   8 -15.574  -8.813 -10.543
   67    H    SER   9           H        SER   9 -15.706  -4.345 -11.051
   68    HA   SER   9           HA       SER   9 -13.040  -4.639 -10.790
   69    HB2  SER   9          1HB       SER   9 -14.344  -2.459 -12.416
   70    HB3  SER   9          2HB       SER   9 -12.800  -3.247 -12.738
   71    HG   SER   9           HG       SER   9 -14.634  -4.052 -13.975
   72    H    TRP  10           H        TRP  10 -14.826  -1.641 -10.008
   73    HA   TRP  10           HA       TRP  10 -12.619  -0.006  -9.525
   74    HB2  TRP  10          1HB       TRP  10 -14.105   1.503  -8.482
   75    HB3  TRP  10          2HB       TRP  10 -15.112   0.658  -9.651
   76    HD1  TRP  10           HD1      TRP  10 -17.098  -0.808  -8.710
   77    HE1  TRP  10           HE1      TRP  10 -18.134  -1.094  -6.373
   78    HE3  TRP  10           HE3      TRP  10 -13.423   1.409  -5.939
   79    HZ2  TRP  10           HZ2      TRP  10 -17.473  -0.464  -3.703
   80    HZ3  TRP  10           HZ3      TRP  10 -13.704   1.524  -3.493
   81    HH2  TRP  10           HH2      TRP  10 -15.682   0.597  -2.403
   82    H    LYS  11           H        LYS  11 -14.184  -2.459  -7.701
   83    HA   LYS  11           HA       LYS  11 -13.023  -1.738  -5.164
   84    HB2  LYS  11          1HB       LYS  11 -15.319  -2.937  -5.800
   85    HB3  LYS  11          2HB       LYS  11 -14.316  -4.373  -5.663
   86    HG2  LYS  11          1HG       LYS  11 -13.680  -2.928  -3.422
   87    HG3  LYS  11          2HG       LYS  11 -15.402  -2.648  -3.635
   88    HD2  LYS  11          1HD       LYS  11 -15.019  -4.586  -2.217
   89    HD3  LYS  11          2HD       LYS  11 -15.792  -5.060  -3.730
   90    HE2  LYS  11          1HE       LYS  11 -13.570  -5.721  -4.610
   91    HE3  LYS  11          2HE       LYS  11 -12.865  -5.312  -3.048
   92    HZ1  LYS  11          1HZ       LYS  11 -13.302  -7.688  -3.269
   93    HZ2  LYS  11          2HZ       LYS  11 -14.948  -7.379  -3.490
   94    HZ3  LYS  11          3HZ       LYS  11 -14.211  -7.013  -2.013
   95    H    THR  12           H        THR  12 -12.546  -3.884  -7.795
   96    HA   THR  12           HA       THR  12 -10.539  -5.505  -6.614
   97    HB   THR  12           HB       THR  12 -10.703  -5.049  -9.565
   98    HG1  THR  12           HG1      THR  12 -12.686  -6.115  -7.862
   99   HG21  THR  12          1HG2      THR  12 -10.280  -7.435  -9.592
  100   HG22  THR  12          2HG2      THR  12 -10.414  -7.490  -7.834
  101   HG23  THR  12          3HG2      THR  12  -9.078  -6.614  -8.588
  102    H    LEU  13           H        LEU  13 -10.602  -2.460  -8.352
  103    HA   LEU  13           HA       LEU  13  -7.781  -2.107  -8.558
  104    HB2  LEU  13          1HB       LEU  13  -9.543   0.226  -7.917
  105    HB3  LEU  13          2HB       LEU  13  -8.213   0.135  -9.052
  106    HG   LEU  13           HG       LEU  13 -11.016  -0.849  -9.423
  107   HD11  LEU  13          1HD1      LEU  13  -9.453   1.371 -10.735
  108   HD12  LEU  13          2HD1      LEU  13 -10.786   1.553  -9.593
  109   HD13  LEU  13          3HD1      LEU  13 -11.080   0.862 -11.190
  110   HD21  LEU  13          1HD2      LEU  13  -8.691  -0.982 -11.360
  111   HD22  LEU  13          2HD2      LEU  13 -10.356  -1.442 -11.710
  112   HD23  LEU  13          3HD2      LEU  13  -9.416  -2.363 -10.537
  113    H    TYR  14           H        TYR  14 -10.062  -2.055  -6.067
  114    HA   TYR  14           HA       TYR  14  -8.794  -0.005  -4.506
  115    HB2  TYR  14          1HB       TYR  14 -11.330  -0.450  -4.990
  116    HB3  TYR  14          2HB       TYR  14 -11.167  -1.557  -3.630
  117    HD1  TYR  14           HD1      TYR  14 -10.856  -0.766  -1.419
  118    HD2  TYR  14           HD2      TYR  14 -10.973   1.901  -4.721
  119    HE1  TYR  14           HE1      TYR  14 -11.022   1.106   0.143
  120    HE2  TYR  14           HE2      TYR  14 -11.156   3.815  -3.170
  121    HH   TYR  14           HH       TYR  14 -11.934   4.218  -0.823
  122    H    LEU  15           H        LEU  15  -9.860  -3.345  -4.045
  123    HA   LEU  15           HA       LEU  15  -8.595  -3.724  -1.567
  124    HB2  LEU  15          1HB       LEU  15  -8.998  -6.063  -1.911
  125    HB3  LEU  15          2HB       LEU  15 -10.358  -5.186  -2.589
  126    HG   LEU  15           HG       LEU  15  -8.732  -5.463  -4.773
  127   HD11  LEU  15          1HD1      LEU  15  -7.193  -6.927  -3.585
  128   HD12  LEU  15          2HD1      LEU  15  -8.043  -7.798  -4.859
  129   HD13  LEU  15          3HD1      LEU  15  -8.523  -8.010  -3.176
  130   HD21  LEU  15          1HD2      LEU  15 -11.105  -5.783  -4.764
  131   HD22  LEU  15          2HD2      LEU  15 -10.945  -7.251  -3.793
  132   HD23  LEU  15          3HD2      LEU  15 -10.332  -7.216  -5.448
  133    H    LYS  16           H        LYS  16  -7.491  -3.605  -4.797
  134    HA   LYS  16           HA       LYS  16  -4.926  -4.816  -4.360
  135    HB2  LYS  16          1HB       LYS  16  -5.964  -4.873  -6.593
  136    HB3  LYS  16          2HB       LYS  16  -6.026  -3.124  -6.618
  137    HG2  LYS  16          1HG       LYS  16  -3.402  -4.533  -6.363
  138    HG3  LYS  16          2HG       LYS  16  -4.171  -4.324  -7.936
  139    HD2  LYS  16          1HD       LYS  16  -3.696  -2.035  -6.033
  140    HD3  LYS  16          2HD       LYS  16  -2.498  -2.538  -7.240
  141    HE2  LYS  16          1HE       LYS  16  -5.335  -1.702  -7.852
  142    HE3  LYS  16          2HE       LYS  16  -3.923  -0.659  -8.000
  143    HZ1  LYS  16          1HZ       LYS  16  -4.504  -1.578 -10.130
  144    HZ2  LYS  16          2HZ       LYS  16  -4.422  -3.156  -9.528
  145    HZ3  LYS  16          3HZ       LYS  16  -3.020  -2.218  -9.633
  146    H    ILE  17           H        ILE  17  -6.353  -1.645  -4.727
  147    HA   ILE  17           HA       ILE  17  -4.124  -0.018  -4.793
  148    HB   ILE  17           HB       ILE  17  -6.845   0.340  -4.872
  149   HG12  ILE  17          1HG1      ILE  17  -6.175   2.836  -4.995
  150   HG13  ILE  17          2HG1      ILE  17  -4.532   2.239  -4.752
  151   HG21  ILE  17          1HG2      ILE  17  -7.081   0.509  -2.460
  152   HG22  ILE  17          2HG2      ILE  17  -7.403   2.071  -3.215
  153   HG23  ILE  17          3HG2      ILE  17  -5.863   1.784  -2.406
  154   HD11  ILE  17          1HD1      ILE  17  -4.698   0.882  -6.742
  155   HD12  ILE  17          2HD1      ILE  17  -5.097   2.558  -7.130
  156   HD13  ILE  17          3HD1      ILE  17  -6.382   1.356  -6.957
  157    H    SER  18           H        SER  18  -5.766  -1.454  -2.124
  158    HA   SER  18           HA       SER  18  -4.335   0.173  -0.215
  159    HB2  SER  18          1HB       SER  18  -6.710  -0.460   0.189
  160    HB3  SER  18          2HB       SER  18  -6.230  -2.154   0.256
  161    HG   SER  18           HG       SER  18  -6.431  -1.108   2.330
  162    H    PHE  19           H        PHE  19  -4.410  -3.038  -1.511
  163    HA   PHE  19           HA       PHE  19  -2.688  -4.414   0.154
  164    HB2  PHE  19          1HB       PHE  19  -3.613  -5.861  -1.331
  165    HB3  PHE  19          2HB       PHE  19  -3.680  -4.645  -2.606
  166    HD1  PHE  19           HD1      PHE  19  -2.291  -4.808  -4.394
  167    HD2  PHE  19           HD2      PHE  19  -1.212  -6.788  -0.789
  168    HE1  PHE  19           HE1      PHE  19  -0.340  -5.752  -5.517
  169    HE2  PHE  19           HE2      PHE  19   0.745  -7.762  -1.905
  170    HZ   PHE  19           HZ       PHE  19   1.190  -7.251  -4.280
  171    H    LEU  20           H        LEU  20  -1.748  -2.883  -2.978
  172    HA   LEU  20           HA       LEU  20   1.013  -3.311  -2.283
  173    HB2  LEU  20          1HB       LEU  20   1.615  -2.516  -4.367
  174    HB3  LEU  20          2HB       LEU  20   0.034  -3.203  -4.667
  175    HG   LEU  20           HG       LEU  20   0.566  -0.263  -4.262
  176   HD11  LEU  20          1HD1      LEU  20   1.623  -1.075  -6.299
  177   HD12  LEU  20          2HD1      LEU  20   0.222  -0.074  -6.675
  178   HD13  LEU  20          3HD1      LEU  20   0.110  -1.827  -6.797
  179   HD21  LEU  20          1HD2      LEU  20  -1.653  -0.589  -3.689
  180   HD22  LEU  20          2HD2      LEU  20  -1.861  -1.887  -4.878
  181   HD23  LEU  20          3HD2      LEU  20  -1.739  -0.206  -5.415
  182    H    GLY  21           H        GLY  21  -1.322  -0.887  -1.862
  183    HA2  GLY  21          1HA       GLY  21   0.346   1.313  -1.278
  184    HA3  GLY  21          2HA       GLY  21  -1.314   1.075  -0.746
  185    H    CYS  22           H        CYS  22  -0.127  -1.596   0.299
  186    HA   CYS  22           HA       CYS  22   0.491  -0.738   2.998
  187    HB2  CYS  22          1HB       CYS  22   0.254  -3.463   1.706
  188    HB3  CYS  22          2HB       CYS  22   0.669  -3.210   3.390
  189    HG   CYS  22           HG       CYS  22  -2.238  -1.938   2.163
  190    H    LYS  23           H        LYS  23   1.835  -2.645   0.415
  191    HA   LYS  23           HA       LYS  23   4.423  -3.031   1.266
  192    HB2  LYS  23          1HB       LYS  23   3.405  -2.376  -1.470
  193    HB3  LYS  23          2HB       LYS  23   4.972  -3.092  -1.128
  194    HG2  LYS  23          1HG       LYS  23   3.923  -5.100  -0.292
  195    HG3  LYS  23          2HG       LYS  23   2.328  -4.371  -0.459
  196    HD2  LYS  23          1HD       LYS  23   2.695  -5.869  -2.299
  197    HD3  LYS  23          2HD       LYS  23   2.708  -4.213  -2.902
  198    HE2  LYS  23          1HE       LYS  23   4.480  -5.501  -3.929
  199    HE3  LYS  23          2HE       LYS  23   5.155  -4.242  -2.900
  200    HZ1  LYS  23          1HZ       LYS  23   6.269  -6.418  -2.677
  201    HZ2  LYS  23          2HZ       LYS  23   4.834  -7.071  -2.069
  202    HZ3  LYS  23          3HZ       LYS  23   5.632  -5.849  -1.217
  203    H    VAL  24           H        VAL  24   2.911  -0.402  -0.352
  204    HA   VAL  24           HA       VAL  24   5.314   1.144  -0.544
  205    HB   VAL  24           HB       VAL  24   2.468   1.944  -1.035
  206   HG11  VAL  24          1HG1      VAL  24   3.885   3.873  -0.628
  207   HG12  VAL  24          2HG1      VAL  24   3.387   3.803  -2.319
  208   HG13  VAL  24          3HG1      VAL  24   5.014   3.306  -1.856
  209   HG21  VAL  24          1HG2      VAL  24   4.598   1.116  -2.986
  210   HG22  VAL  24          2HG2      VAL  24   2.933   1.554  -3.378
  211   HG23  VAL  24          3HG2      VAL  24   3.270   0.092  -2.438
  212    H    VAL  25           H        VAL  25   2.713   0.740   1.640
  213    HA   VAL  25           HA       VAL  25   3.087   3.063   3.205
  214    HB   VAL  25           HB       VAL  25   1.786   0.472   3.609
  215   HG11  VAL  25          1HG1      VAL  25   3.406   0.253   5.432
  216   HG12  VAL  25          2HG1      VAL  25   1.781   0.536   6.057
  217   HG13  VAL  25          3HG1      VAL  25   2.957   1.852   6.026
  218   HG21  VAL  25          1HG2      VAL  25   1.356   3.261   4.613
  219   HG22  VAL  25          2HG2      VAL  25   0.231   1.922   4.862
  220   HG23  VAL  25          3HG2      VAL  25   0.576   2.493   3.227
  221    H    ALA  26           H        ALA  26   4.747   0.017   2.953
  222    HA   ALA  26           HA       ALA  26   6.417   0.310   5.184
  223    HB1  ALA  26          1HB       ALA  26   7.821  -1.393   4.175
  224    HB2  ALA  26          2HB       ALA  26   6.994  -1.180   2.633
  225    HB3  ALA  26          3HB       ALA  26   6.118  -1.823   4.021
  226    H    LEU  27           H        LEU  27   6.613   1.631   1.914
  227    HA   LEU  27           HA       LEU  27   9.269   2.627   2.557
  228    HB2  LEU  27          1HB       LEU  27   9.412   3.449   0.311
  229    HB3  LEU  27          2HB       LEU  27   8.903   1.778   0.324
  230    HG   LEU  27           HG       LEU  27   6.509   2.761   0.037
  231   HD11  LEU  27          1HD1      LEU  27   8.186   5.042  -1.005
  232   HD12  LEU  27          2HD1      LEU  27   7.127   5.102   0.404
  233   HD13  LEU  27          3HD1      LEU  27   6.444   4.855  -1.204
  234   HD21  LEU  27          1HD2      LEU  27   7.646   1.396  -1.611
  235   HD22  LEU  27          2HD2      LEU  27   8.570   2.791  -2.164
  236   HD23  LEU  27          3HD2      LEU  27   6.825   2.740  -2.403
  237    H    LEU  28           H        LEU  28   6.019   3.700   2.576
  238    HA   LEU  28           HA       LEU  28   6.673   6.515   2.563
  239    HB2  LEU  28          1HB       LEU  28   4.693   6.115   1.482
  240    HB3  LEU  28          2HB       LEU  28   4.228   4.831   2.576
  241    HG   LEU  28           HG       LEU  28   4.146   7.069   4.180
  242   HD11  LEU  28          1HD1      LEU  28   4.421   8.529   2.245
  243   HD12  LEU  28          2HD1      LEU  28   2.819   8.705   2.961
  244   HD13  LEU  28          3HD1      LEU  28   3.024   7.778   1.475
  245   HD21  LEU  28          1HD2      LEU  28   1.737   6.730   4.067
  246   HD22  LEU  28          2HD2      LEU  28   2.603   5.192   4.143
  247   HD23  LEU  28          3HD2      LEU  28   1.938   5.758   2.609
  248    H    LYS  29           H        LYS  29   4.672   4.654   4.867
  249    HA   LYS  29           HA       LYS  29   5.506   6.423   7.017
  250    HB2  LYS  29          1HB       LYS  29   3.452   4.229   6.842
  251    HB3  LYS  29          2HB       LYS  29   3.873   5.003   8.365
  252    HG2  LYS  29          1HG       LYS  29   3.174   7.153   7.492
  253    HG3  LYS  29          2HG       LYS  29   2.801   6.412   5.934
  254    HD2  LYS  29          1HD       LYS  29   1.034   5.121   6.890
  255    HD3  LYS  29          2HD       LYS  29   1.509   5.580   8.525
  256    HE2  LYS  29          1HE       LYS  29  -0.470   6.814   7.780
  257    HE3  LYS  29          2HE       LYS  29   0.894   7.890   8.075
  258    HZ1  LYS  29          1HZ       LYS  29  -0.306   8.436   6.037
  259    HZ2  LYS  29          2HZ       LYS  29   0.047   6.911   5.406
  260    HZ3  LYS  29          3HZ       LYS  29   1.295   8.006   5.715
  261    H    ARG  30           H        ARG  30   5.981   3.279   5.838
  262    HA   ARG  30           HA       ARG  30   7.479   1.664   6.274
  263    HB2  ARG  30          1HB       ARG  30   8.580   3.470   8.436
  264    HB3  ARG  30          2HB       ARG  30   9.347   2.014   7.821
  265    HG2  ARG  30          1HG       ARG  30   9.622   3.053   5.644
  266    HG3  ARG  30          2HG       ARG  30   8.790   4.501   6.218
  267    HD2  ARG  30          1HD       ARG  30  10.553   4.751   7.949
  268    HD3  ARG  30          2HD       ARG  30  11.407   3.393   7.218
  269    HE   ARG  30           HE       ARG  30  11.051   5.110   5.150
  270   HH11  ARG  30          1HH1      ARG  30  12.422   5.419   8.347
  271   HH12  ARG  30          2HH1      ARG  30  13.531   6.669   7.899
  272   HH21  ARG  30          1HH2      ARG  30  12.506   6.758   4.538
  273   HH22  ARG  30          2HH2      ARG  30  13.589   7.427   5.717
  Start of MODEL    9
    1    H1   MET   1          1H        MET   1 -11.576  -4.894 -21.354
    2    H2   MET   1          2H        MET   1 -10.898  -3.850 -20.212
    3    H3   MET   1          3H        MET   1  -9.939  -5.031 -20.949
    4    HA   MET   1           HA       MET   1  -9.517  -2.833 -21.857
    5    HB2  MET   1          1HB       MET   1 -10.883  -4.760 -23.748
    6    HB3  MET   1          2HB       MET   1  -9.890  -3.406 -24.256
    7    HG2  MET   1          1HG       MET   1  -8.552  -5.344 -24.398
    8    HG3  MET   1          2HG       MET   1  -7.992  -4.434 -22.997
    9    HE1  MET   1          1HE       MET   1 -11.181  -6.756 -23.361
   10    HE2  MET   1          2HE       MET   1 -10.525  -8.288 -22.787
   11    HE3  MET   1          3HE       MET   1  -9.920  -7.576 -24.283
   12    H    ALA   2           H        ALA   2 -10.417  -1.332 -23.626
   13    HA   ALA   2           HA       ALA   2 -11.875   0.319 -24.167
   14    HB1  ALA   2          1HB       ALA   2 -14.175  -0.324 -24.649
   15    HB2  ALA   2          2HB       ALA   2 -13.949  -1.837 -23.771
   16    HB3  ALA   2          3HB       ALA   2 -13.047  -1.536 -25.256
   17    H    THR   3           H        THR   3 -11.049   0.256 -21.517
   18    HA   THR   3           HA       THR   3 -11.468   1.017 -19.428
   19    HB   THR   3           HB       THR   3 -12.892   3.012 -19.255
   20    HG1  THR   3           HG1      THR   3 -14.073   1.949 -21.430
   21   HG21  THR   3          1HG2      THR   3 -11.167   2.959 -21.734
   22   HG22  THR   3          2HG2      THR   3 -10.610   3.250 -20.087
   23   HG23  THR   3          3HG2      THR   3 -11.680   4.410 -20.872
   24    H    LYS   4           H        LYS   4 -12.588  -1.361 -19.642
   25    HA   LYS   4           HA       LYS   4 -15.402  -1.401 -19.181
   26    HB2  LYS   4          1HB       LYS   4 -14.159  -3.288 -20.213
   27    HB3  LYS   4          2HB       LYS   4 -13.361  -3.573 -18.672
   28    HG2  LYS   4          1HG       LYS   4 -15.529  -4.059 -17.644
   29    HG3  LYS   4          2HG       LYS   4 -16.319  -3.793 -19.198
   30    HD2  LYS   4          1HD       LYS   4 -14.988  -5.625 -20.164
   31    HD3  LYS   4          2HD       LYS   4 -14.260  -5.909 -18.583
   32    HE2  LYS   4          1HE       LYS   4 -17.200  -6.112 -19.223
   33    HE3  LYS   4          2HE       LYS   4 -16.094  -7.473 -19.065
   34    HZ1  LYS   4          1HZ       LYS   4 -17.349  -7.135 -17.041
   35    HZ2  LYS   4          2HZ       LYS   4 -16.790  -5.545 -16.920
   36    HZ3  LYS   4          3HZ       LYS   4 -15.708  -6.832 -16.762
   37    H    HIS   5           H        HIS   5 -15.944  -0.205 -17.425
   38    HA   HIS   5           HA       HIS   5 -14.662  -0.729 -14.868
   39    HB2  HIS   5          1HB       HIS   5 -16.928   1.145 -15.584
   40    HB3  HIS   5          2HB       HIS   5 -16.158   1.041 -14.007
   41    HD1  HIS   5           HD1      HIS   5 -16.164   3.148 -16.783
   42    HD2  HIS   5           HD2      HIS   5 -13.121   1.483 -14.494
   43    HE1  HIS   5           HE1      HIS   5 -14.161   4.615 -17.156
   44    HE2  HIS   5           HE2      HIS   5 -12.395   3.699 -15.615
   45    H    GLY   6           H        GLY   6 -15.259  -2.783 -14.290
   46    HA2  GLY   6          1HA       GLY   6 -17.966  -3.702 -14.384
   47    HA3  GLY   6          2HA       GLY   6 -16.633  -4.481 -13.542
   48    H    LYS   7           H        LYS   7 -19.173  -4.400 -12.439
   49    HA   LYS   7           HA       LYS   7 -19.311  -2.159 -10.622
   50    HB2  LYS   7          1HB       LYS   7 -21.316  -3.281 -11.735
   51    HB3  LYS   7          2HB       LYS   7 -21.071  -4.603 -10.607
   52    HG2  LYS   7          1HG       LYS   7 -22.804  -3.140  -9.798
   53    HG3  LYS   7          2HG       LYS   7 -21.398  -3.046  -8.734
   54    HD2  LYS   7          1HD       LYS   7 -20.706  -0.972  -9.801
   55    HD3  LYS   7          2HD       LYS   7 -22.062  -1.077 -10.924
   56    HE2  LYS   7          1HE       LYS   7 -22.567   0.487  -9.150
   57    HE3  LYS   7          2HE       LYS   7 -23.619  -0.921  -9.034
   58    HZ1  LYS   7          1HZ       LYS   7 -22.739  -0.202  -6.879
   59    HZ2  LYS   7          2HZ       LYS   7 -21.166  -0.509  -7.414
   60    HZ3  LYS   7          3HZ       LYS   7 -22.269  -1.778  -7.259
   61    H    ASN   8           H        ASN   8 -17.539  -4.770 -10.711
   62    HA   ASN   8           HA       ASN   8 -17.208  -4.831  -7.796
   63    HB2  ASN   8          1HB       ASN   8 -16.595  -7.223  -7.908
   64    HB3  ASN   8          2HB       ASN   8 -18.264  -6.943  -8.392
   65   HD21  ASN   8          1HD2      ASN   8 -16.533  -9.183  -8.984
   66   HD22  ASN   8          2HD2      ASN   8 -16.440  -9.290 -10.708
   67    H    SER   9           H        SER   9 -15.782  -5.147 -10.976
   68    HA   SER   9           HA       SER   9 -13.145  -5.286 -10.620
   69    HB2  SER   9          1HB       SER   9 -14.084  -4.943 -12.804
   70    HB3  SER   9          2HB       SER   9 -14.669  -3.343 -12.359
   71    HG   SER   9           HG       SER   9 -11.920  -4.027 -12.331
   72    H    TRP  10           H        TRP  10 -15.076  -2.371  -9.909
   73    HA   TRP  10           HA       TRP  10 -12.976  -0.599  -9.463
   74    HB2  TRP  10          1HB       TRP  10 -14.555   0.833  -8.456
   75    HB3  TRP  10          2HB       TRP  10 -15.504  -0.102  -9.604
   76    HD1  TRP  10           HD1      TRP  10 -17.411  -1.646  -8.623
   77    HE1  TRP  10           HE1      TRP  10 -18.422  -1.929  -6.270
   78    HE3  TRP  10           HE3      TRP  10 -13.851   0.830  -5.921
   79    HZ2  TRP  10           HZ2      TRP  10 -17.794  -1.190  -3.619
   80    HZ3  TRP  10           HZ3      TRP  10 -14.134   1.000  -3.476
   81    HH2  TRP  10           HH2      TRP  10 -16.061   0.003  -2.352
   82    H    LYS  11           H        LYS  11 -14.379  -3.099  -7.570
   83    HA   LYS  11           HA       LYS  11 -13.254  -2.244  -5.058
   84    HB2  LYS  11          1HB       LYS  11 -15.479  -3.590  -5.665
   85    HB3  LYS  11          2HB       LYS  11 -14.394  -4.961  -5.483
   86    HG2  LYS  11          1HG       LYS  11 -13.888  -3.348  -3.287
   87    HG3  LYS  11          2HG       LYS  11 -15.633  -3.314  -3.509
   88    HD2  LYS  11          1HD       LYS  11 -14.962  -5.131  -2.021
   89    HD3  LYS  11          2HD       LYS  11 -15.702  -5.748  -3.500
   90    HE2  LYS  11          1HE       LYS  11 -13.509  -6.253  -4.415
   91    HE3  LYS  11          2HE       LYS  11 -12.735  -5.551  -2.997
   92    HZ1  LYS  11          1HZ       LYS  11 -14.506  -7.935  -2.982
   93    HZ2  LYS  11          2HZ       LYS  11 -13.735  -7.270  -1.633
   94    HZ3  LYS  11          3HZ       LYS  11 -12.818  -7.965  -2.870
   95    H    THR  12           H        THR  12 -12.696  -4.458  -7.624
   96    HA   THR  12           HA       THR  12 -10.612  -5.949  -6.432
   97    HB   THR  12           HB       THR  12 -10.825  -5.495  -9.389
   98    HG1  THR  12           HG1      THR  12 -12.696  -6.679  -7.652
   99   HG21  THR  12          1HG2      THR  12 -10.290  -7.908  -7.676
  100   HG22  THR  12          2HG2      THR  12  -9.053  -6.926  -8.469
  101   HG23  THR  12          3HG2      THR  12 -10.215  -7.845  -9.439
  102    H    LEU  13           H        LEU  13 -10.808  -2.963  -8.281
  103    HA   LEU  13           HA       LEU  13  -8.023  -2.450  -8.493
  104    HB2  LEU  13          1HB       LEU  13  -9.902  -0.196  -7.921
  105    HB3  LEU  13          2HB       LEU  13  -8.571  -0.257  -9.057
  106    HG   LEU  13           HG       LEU  13 -11.328  -1.373  -9.380
  107   HD11  LEU  13          1HD1      LEU  13  -9.832   0.806 -10.827
  108   HD12  LEU  13          2HD1      LEU  13 -11.153   1.024  -9.684
  109   HD13  LEU  13          3HD1      LEU  13 -11.449   0.232 -11.231
  110   HD21  LEU  13          1HD2      LEU  13  -9.724  -2.912 -10.407
  111   HD22  LEU  13          2HD2      LEU  13  -8.956  -1.570 -11.254
  112   HD23  LEU  13          3HD2      LEU  13 -10.609  -2.035 -11.655
  113    H    TYR  14           H        TYR  14 -10.296  -2.411  -5.993
  114    HA   TYR  14           HA       TYR  14  -9.113  -0.246  -4.525
  115    HB2  TYR  14          1HB       TYR  14 -11.627  -0.806  -4.966
  116    HB3  TYR  14          2HB       TYR  14 -11.416  -1.860  -3.572
  117    HD1  TYR  14           HD1      TYR  14 -11.101  -0.976  -1.389
  118    HD2  TYR  14           HD2      TYR  14 -11.373   1.559  -4.786
  119    HE1  TYR  14           HE1      TYR  14 -11.313   0.950   0.102
  120    HE2  TYR  14           HE2      TYR  14 -11.606   3.521  -3.303
  121    HH   TYR  14           HH       TYR  14 -10.945   3.386   0.037
  122    H    LEU  15           H        LEU  15 -10.003  -3.621  -3.929
  123    HA   LEU  15           HA       LEU  15  -8.706  -3.816  -1.436
  124    HB2  LEU  15          1HB       LEU  15  -9.017  -6.160  -1.618
  125    HB3  LEU  15          2HB       LEU  15 -10.393  -5.430  -2.424
  126    HG   LEU  15           HG       LEU  15  -8.600  -5.788  -4.487
  127   HD11  LEU  15          1HD1      LEU  15  -7.866  -8.108  -4.337
  128   HD12  LEU  15          2HD1      LEU  15  -8.476  -8.201  -2.685
  129   HD13  LEU  15          3HD1      LEU  15  -7.133  -7.125  -3.070
  130   HD21  LEU  15          1HD2      LEU  15 -10.819  -7.596  -3.557
  131   HD22  LEU  15          2HD2      LEU  15 -10.122  -7.570  -5.177
  132   HD23  LEU  15          3HD2      LEU  15 -10.988  -6.156  -4.566
  133    H    LYS  16           H        LYS  16  -7.648  -3.796  -4.682
  134    HA   LYS  16           HA       LYS  16  -5.029  -4.866  -4.202
  135    HB2  LYS  16          1HB       LYS  16  -6.147  -5.062  -6.415
  136    HB3  LYS  16          2HB       LYS  16  -6.135  -3.314  -6.555
  137    HG2  LYS  16          1HG       LYS  16  -3.595  -4.868  -6.226
  138    HG3  LYS  16          2HG       LYS  16  -4.341  -4.625  -7.806
  139    HD2  LYS  16          1HD       LYS  16  -3.972  -2.238  -6.072
  140    HD3  LYS  16          2HD       LYS  16  -2.523  -2.950  -6.804
  141    HE2  LYS  16          1HE       LYS  16  -3.376  -1.215  -8.247
  142    HE3  LYS  16          2HE       LYS  16  -3.587  -2.779  -9.023
  143    HZ1  LYS  16          1HZ       LYS  16  -5.896  -2.758  -8.459
  144    HZ2  LYS  16          2HZ       LYS  16  -5.521  -1.305  -9.242
  145    HZ3  LYS  16          3HZ       LYS  16  -5.728  -1.330  -7.564
  146    H    ILE  17           H        ILE  17  -6.628  -1.789  -4.626
  147    HA   ILE  17           HA       ILE  17  -4.468  -0.089  -4.947
  148    HB   ILE  17           HB       ILE  17  -7.190   0.190  -4.944
  149   HG12  ILE  17          1HG1      ILE  17  -6.621   2.694  -5.201
  150   HG13  ILE  17          2HG1      ILE  17  -4.950   2.180  -4.967
  151   HG21  ILE  17          1HG2      ILE  17  -7.782   1.953  -3.347
  152   HG22  ILE  17          2HG2      ILE  17  -6.204   1.789  -2.578
  153   HG23  ILE  17          3HG2      ILE  17  -7.352   0.451  -2.526
  154   HD11  ILE  17          1HD1      ILE  17  -5.102   0.715  -6.879
  155   HD12  ILE  17          2HD1      ILE  17  -5.568   2.354  -7.340
  156   HD13  ILE  17          3HD1      ILE  17  -6.806   1.118  -7.083
  157    H    SER  18           H        SER  18  -5.920  -1.357  -2.088
  158    HA   SER  18           HA       SER  18  -4.374   0.409  -0.385
  159    HB2  SER  18          1HB       SER  18  -6.754  -0.192   0.163
  160    HB3  SER  18          2HB       SER  18  -6.226  -1.852   0.426
  161    HG   SER  18           HG       SER  18  -5.504  -1.299   2.317
  162    H    PHE  19           H        PHE  19  -4.513  -2.840  -1.515
  163    HA   PHE  19           HA       PHE  19  -2.811  -4.181   0.217
  164    HB2  PHE  19          1HB       PHE  19  -3.760  -5.710  -1.148
  165    HB3  PHE  19          2HB       PHE  19  -3.926  -4.548  -2.459
  166    HD1  PHE  19           HD1      PHE  19  -2.581  -4.634  -4.293
  167    HD2  PHE  19           HD2      PHE  19  -1.427  -6.747  -0.792
  168    HE1  PHE  19           HE1      PHE  19  -0.722  -5.620  -5.523
  169    HE2  PHE  19           HE2      PHE  19   0.442  -7.762  -2.016
  170    HZ   PHE  19           HZ       PHE  19   0.803  -7.206  -4.396
  171    H    LEU  20           H        LEU  20  -1.936  -2.732  -2.968
  172    HA   LEU  20           HA       LEU  20   0.843  -3.260  -2.439
  173    HB2  LEU  20          1HB       LEU  20   1.346  -2.369  -4.523
  174    HB3  LEU  20          2HB       LEU  20  -0.249  -3.044  -4.756
  175    HG   LEU  20           HG       LEU  20   0.285  -0.124  -4.255
  176   HD11  LEU  20          1HD1      LEU  20  -0.249  -1.569  -6.844
  177   HD12  LEU  20          2HD1      LEU  20   1.273  -0.817  -6.369
  178   HD13  LEU  20          3HD1      LEU  20  -0.156   0.180  -6.643
  179   HD21  LEU  20          1HD2      LEU  20  -1.901  -0.489  -3.620
  180   HD22  LEU  20          2HD2      LEU  20  -2.146  -1.741  -4.852
  181   HD23  LEU  20          3HD2      LEU  20  -2.056  -0.038  -5.325
  182    H    GLY  21           H        GLY  21  -1.402  -0.803  -1.828
  183    HA2  GLY  21          1HA       GLY  21   0.339   1.351  -1.263
  184    HA3  GLY  21          2HA       GLY  21  -1.317   1.144  -0.697
  185    H    CYS  22           H        CYS  22  -0.183  -1.575   0.267
  186    HA   CYS  22           HA       CYS  22   0.477  -0.772   2.970
  187    HB2  CYS  22          1HB       CYS  22   0.206  -3.493   1.677
  188    HB3  CYS  22          2HB       CYS  22   0.523  -3.214   3.381
  189    HG   CYS  22           HG       CYS  22  -2.285  -1.959   1.910
  190    H    LYS  23           H        LYS  23   1.800  -2.668   0.340
  191    HA   LYS  23           HA       LYS  23   4.377  -3.105   1.209
  192    HB2  LYS  23          1HB       LYS  23   3.327  -2.411  -1.499
  193    HB3  LYS  23          2HB       LYS  23   4.965  -2.980  -1.218
  194    HG2  LYS  23          1HG       LYS  23   4.080  -5.103  -0.366
  195    HG3  LYS  23          2HG       LYS  23   2.437  -4.529  -0.665
  196    HD2  LYS  23          1HD       LYS  23   2.823  -4.437  -3.019
  197    HD3  LYS  23          2HD       LYS  23   4.546  -4.757  -2.805
  198    HE2  LYS  23          1HE       LYS  23   3.971  -6.978  -1.877
  199    HE3  LYS  23          2HE       LYS  23   2.272  -6.647  -2.215
  200    HZ1  LYS  23          1HZ       LYS  23   4.454  -6.821  -4.224
  201    HZ2  LYS  23          2HZ       LYS  23   2.846  -6.435  -4.571
  202    HZ3  LYS  23          3HZ       LYS  23   3.236  -7.966  -3.971
  203    H    VAL  24           H        VAL  24   2.874  -0.406  -0.278
  204    HA   VAL  24           HA       VAL  24   5.288   1.128  -0.446
  205    HB   VAL  24           HB       VAL  24   2.442   1.950  -0.888
  206   HG11  VAL  24          1HG1      VAL  24   3.352   3.866  -2.085
  207   HG12  VAL  24          2HG1      VAL  24   4.984   3.345  -1.671
  208   HG13  VAL  24          3HG1      VAL  24   3.875   3.857  -0.401
  209   HG21  VAL  24          1HG2      VAL  24   3.261   0.154  -2.370
  210   HG22  VAL  24          2HG2      VAL  24   4.565   1.225  -2.889
  211   HG23  VAL  24          3HG2      VAL  24   2.888   1.646  -3.241
  212    H    VAL  25           H        VAL  25   2.708   0.630   1.739
  213    HA   VAL  25           HA       VAL  25   3.091   2.926   3.357
  214    HB   VAL  25           HB       VAL  25   1.768   0.333   3.729
  215   HG11  VAL  25          1HG1      VAL  25   1.734   0.417   6.182
  216   HG12  VAL  25          2HG1      VAL  25   2.915   1.727   6.151
  217   HG13  VAL  25          3HG1      VAL  25   3.364   0.121   5.576
  218   HG21  VAL  25          1HG2      VAL  25   0.575   2.369   3.324
  219   HG22  VAL  25          2HG2      VAL  25   1.328   3.119   4.736
  220   HG23  VAL  25          3HG2      VAL  25   0.191   1.783   4.944
  221    H    ALA  26           H        ALA  26   4.704  -0.134   3.045
  222    HA   ALA  26           HA       ALA  26   6.371   0.103   5.282
  223    HB1  ALA  26          1HB       ALA  26   6.024  -2.013   4.106
  224    HB2  ALA  26          2HB       ALA  26   7.739  -1.624   4.244
  225    HB3  ALA  26          3HB       ALA  26   6.900  -1.378   2.712
  226    H    LEU  27           H        LEU  27   6.591   1.473   2.035
  227    HA   LEU  27           HA       LEU  27   9.254   2.451   2.698
  228    HB2  LEU  27          1HB       LEU  27   9.427   3.261   0.450
  229    HB3  LEU  27          2HB       LEU  27   8.893   1.595   0.459
  230    HG   LEU  27           HG       LEU  27   6.506   2.676   0.201
  231   HD11  LEU  27          1HD1      LEU  27   6.563   4.704  -1.170
  232   HD12  LEU  27          2HD1      LEU  27   8.309   4.807  -0.941
  233   HD13  LEU  27          3HD1      LEU  27   7.226   4.990   0.440
  234   HD21  LEU  27          1HD2      LEU  27   7.539   1.167  -1.394
  235   HD22  LEU  27          2HD2      LEU  27   8.521   2.483  -2.033
  236   HD23  LEU  27          3HD2      LEU  27   6.770   2.513  -2.236
  237    H    LEU  28           H        LEU  28   6.007   3.549   2.627
  238    HA   LEU  28           HA       LEU  28   6.688   6.351   2.585
  239    HB2  LEU  28          1HB       LEU  28   4.765   6.007   1.420
  240    HB3  LEU  28          2HB       LEU  28   4.239   4.700   2.457
  241    HG   LEU  28           HG       LEU  28   4.084   6.968   4.066
  242   HD11  LEU  28          1HD1      LEU  28   2.709   8.508   2.774
  243   HD12  LEU  28          2HD1      LEU  28   2.982   7.546   1.320
  244   HD13  LEU  28          3HD1      LEU  28   4.330   8.382   2.090
  245   HD21  LEU  28          1HD2      LEU  28   2.621   5.006   4.029
  246   HD22  LEU  28          2HD2      LEU  28   1.944   5.547   2.489
  247   HD23  LEU  28          3HD2      LEU  28   1.699   6.512   3.945
  248    H    LYS  29           H        LYS  29   4.603   4.535   4.871
  249    HA   LYS  29           HA       LYS  29   5.309   6.417   6.964
  250    HB2  LYS  29          1HB       LYS  29   3.410   4.071   6.933
  251    HB3  LYS  29          2HB       LYS  29   3.698   5.069   8.350
  252    HG2  LYS  29          1HG       LYS  29   2.615   6.068   5.727
  253    HG3  LYS  29          2HG       LYS  29   1.644   5.670   7.142
  254    HD2  LYS  29          1HD       LYS  29   2.796   7.403   8.423
  255    HD3  LYS  29          2HD       LYS  29   3.795   7.787   7.021
  256    HE2  LYS  29          1HE       LYS  29   1.792   8.420   5.766
  257    HE3  LYS  29          2HE       LYS  29   0.791   8.031   7.164
  258    HZ1  LYS  29          1HZ       LYS  29   2.906  10.113   7.130
  259    HZ2  LYS  29          2HZ       LYS  29   1.835   9.792   8.396
  260    HZ3  LYS  29          3HZ       LYS  29   1.256  10.416   6.936
  261    H    ARG  30           H        ARG  30   5.949   3.237   5.944
  262    HA   ARG  30           HA       ARG  30   7.456   1.676   6.519
  263    HB2  ARG  30          1HB       ARG  30   8.546   3.789   8.389
  264    HB3  ARG  30          2HB       ARG  30   9.301   2.227   8.119
  265    HG2  ARG  30          1HG       ARG  30   9.554   2.813   5.727
  266    HG3  ARG  30          2HG       ARG  30   8.905   4.416   6.088
  267    HD2  ARG  30          1HD       ARG  30  10.739   4.818   7.644
  268    HD3  ARG  30          2HD       ARG  30  11.374   3.205   7.329
  269    HE   ARG  30           HE       ARG  30  11.112   4.857   4.979
  270   HH11  ARG  30          1HH1      ARG  30  13.193   3.898   7.629
  271   HH12  ARG  30          2HH1      ARG  30  14.652   4.381   6.827
  272   HH21  ARG  30          1HH2      ARG  30  13.041   5.493   3.922
  273   HH22  ARG  30          2HH2      ARG  30  14.566   5.290   4.727
  Start of MODEL   10
    1    H1   MET   1          1H        MET   1 -23.472   5.596 -14.545
    2    H2   MET   1          2H        MET   1 -22.942   4.568 -15.776
    3    H3   MET   1          3H        MET   1 -21.848   5.596 -15.008
    4    HA   MET   1           HA       MET   1 -21.678   3.267 -14.297
    5    HB2  MET   1          1HB       MET   1 -21.794   3.821 -11.812
    6    HB3  MET   1          2HB       MET   1 -20.764   4.837 -12.806
    7    HG2  MET   1          1HG       MET   1 -21.932   6.218 -11.258
    8    HG3  MET   1          2HG       MET   1 -22.565   6.530 -12.869
    9    HE1  MET   1          1HE       MET   1 -23.956   7.394 -10.081
   10    HE2  MET   1          2HE       MET   1 -25.645   7.057 -10.460
   11    HE3  MET   1          3HE       MET   1 -24.604   7.811 -11.667
   12    H    ALA   2           H        ALA   2 -24.415   3.462 -15.351
   13    HA   ALA   2           HA       ALA   2 -25.783   1.913 -13.253
   14    HB1  ALA   2          1HB       ALA   2 -27.905   2.746 -14.067
   15    HB2  ALA   2          2HB       ALA   2 -27.088   3.660 -15.332
   16    HB3  ALA   2          3HB       ALA   2 -26.852   4.094 -13.640
   17    H    THR   3           H        THR   3 -24.065   1.330 -15.783
   18    HA   THR   3           HA       THR   3 -25.939  -0.228 -17.361
   19    HB   THR   3           HB       THR   3 -23.796  -0.809 -18.655
   20    HG1  THR   3           HG1      THR   3 -22.047   0.583 -18.253
   21   HG21  THR   3          1HG2      THR   3 -24.689   2.070 -18.466
   22   HG22  THR   3          2HG2      THR   3 -25.424   0.817 -19.465
   23   HG23  THR   3          3HG2      THR   3 -23.782   1.365 -19.804
   24    H    LYS   4           H        LYS   4 -24.853  -0.791 -14.504
   25    HA   LYS   4           HA       LYS   4 -24.383  -2.585 -13.200
   26    HB2  LYS   4          1HB       LYS   4 -25.244  -4.218 -15.599
   27    HB3  LYS   4          2HB       LYS   4 -25.135  -4.785 -13.939
   28    HG2  LYS   4          1HG       LYS   4 -27.028  -2.679 -14.970
   29    HG3  LYS   4          2HG       LYS   4 -27.441  -4.346 -14.565
   30    HD2  LYS   4          1HD       LYS   4 -26.832  -3.946 -12.240
   31    HD3  LYS   4          2HD       LYS   4 -26.363  -2.292 -12.636
   32    HE2  LYS   4          1HE       LYS   4 -29.135  -3.446 -12.933
   33    HE3  LYS   4          2HE       LYS   4 -28.597  -2.412 -11.611
   34    HZ1  LYS   4          1HZ       LYS   4 -29.781  -1.134 -13.261
   35    HZ2  LYS   4          2HZ       LYS   4 -28.733  -1.652 -14.480
   36    HZ3  LYS   4          3HZ       LYS   4 -28.160  -0.656 -13.239
   37    H    HIS   5           H        HIS   5 -22.323  -1.386 -14.646
   38    HA   HIS   5           HA       HIS   5 -20.467  -3.630 -15.024
   39    HB2  HIS   5          1HB       HIS   5 -21.145  -2.767 -17.237
   40    HB3  HIS   5          2HB       HIS   5 -20.653  -1.150 -16.754
   41    HD1  HIS   5           HD1      HIS   5 -18.228  -0.541 -17.058
   42    HD2  HIS   5           HD2      HIS   5 -18.955  -4.597 -17.608
   43    HE1  HIS   5           HE1      HIS   5 -16.094  -1.492 -17.973
   44    HE2  HIS   5           HE2      HIS   5 -16.605  -3.912 -18.440
   45    H    GLY   6           H        GLY   6 -18.583  -3.394 -13.950
   46    HA2  GLY   6          1HA       GLY   6 -16.843  -2.342 -12.838
   47    HA3  GLY   6          2HA       GLY   6 -17.545  -0.800 -13.284
   48    H    LYS   7           H        LYS   7 -19.144  -3.387 -11.587
   49    HA   LYS   7           HA       LYS   7 -19.620  -1.565  -9.364
   50    HB2  LYS   7          1HB       LYS   7 -20.919  -4.195 -10.060
   51    HB3  LYS   7          2HB       LYS   7 -21.301  -3.261  -8.621
   52    HG2  LYS   7          1HG       LYS   7 -22.011  -1.399 -10.055
   53    HG3  LYS   7          2HG       LYS   7 -21.706  -2.399 -11.474
   54    HD2  LYS   7          1HD       LYS   7 -24.061  -2.465 -10.955
   55    HD3  LYS   7          2HD       LYS   7 -23.350  -4.042 -10.616
   56    HE2  LYS   7          1HE       LYS   7 -24.870  -3.435  -8.839
   57    HE3  LYS   7          2HE       LYS   7 -23.221  -3.444  -8.228
   58    HZ1  LYS   7          1HZ       LYS   7 -24.770  -1.037  -9.010
   59    HZ2  LYS   7          2HZ       LYS   7 -23.180  -1.028  -8.443
   60    HZ3  LYS   7          3HZ       LYS   7 -24.434  -1.528  -7.429
   61    H    ASN   8           H        ASN   8 -17.431  -3.740 -10.165
   62    HA   ASN   8           HA       ASN   8 -16.716  -4.206  -7.400
   63    HB2  ASN   8          1HB       ASN   8 -16.534  -6.593  -7.534
   64    HB3  ASN   8          2HB       ASN   8 -18.161  -6.134  -8.018
   65   HD21  ASN   8          1HD2      ASN   8 -15.166  -7.535  -9.011
   66   HD22  ASN   8          2HD2      ASN   8 -15.706  -8.093 -10.555
   67    H    SER   9           H        SER   9 -15.826  -4.572 -10.809
   68    HA   SER   9           HA       SER   9 -13.158  -5.008 -10.691
   69    HB2  SER   9          1HB       SER   9 -14.454  -2.911 -12.441
   70    HB3  SER   9          2HB       SER   9 -12.965  -3.796 -12.775
   71    HG   SER   9           HG       SER   9 -14.090  -5.569 -13.244
   72    H    TRP  10           H        TRP  10 -14.756  -1.870 -10.109
   73    HA   TRP  10           HA       TRP  10 -12.466  -0.291  -9.831
   74    HB2  TRP  10          1HB       TRP  10 -13.876   1.355  -8.866
   75    HB3  TRP  10          2HB       TRP  10 -14.924   0.477  -9.973
   76    HD1  TRP  10           HD1      TRP  10 -16.947  -0.870  -8.920
   77    HE1  TRP  10           HE1      TRP  10 -17.978  -0.969  -6.571
   78    HE3  TRP  10           HE3      TRP  10 -13.205   1.435  -6.324
   79    HZ2  TRP  10           HZ2      TRP  10 -17.282  -0.185  -3.951
   80    HZ3  TRP  10           HZ3      TRP  10 -13.465   1.713  -3.891
   81    HH2  TRP  10           HH2      TRP  10 -15.456   0.909  -2.732
   82    H    LYS  11           H        LYS  11 -14.103  -2.511  -7.798
   83    HA   LYS  11           HA       LYS  11 -12.899  -1.626  -5.338
   84    HB2  LYS  11          1HB       LYS  11 -15.259  -2.712  -5.820
   85    HB3  LYS  11          2HB       LYS  11 -14.359  -4.212  -5.658
   86    HG2  LYS  11          1HG       LYS  11 -13.531  -2.764  -3.503
   87    HG3  LYS  11          2HG       LYS  11 -15.220  -2.319  -3.663
   88    HD2  LYS  11          1HD       LYS  11 -14.967  -4.244  -2.188
   89    HD3  LYS  11          2HD       LYS  11 -15.860  -4.674  -3.647
   90    HE2  LYS  11          1HE       LYS  11 -13.802  -5.625  -4.612
   91    HE3  LYS  11          2HE       LYS  11 -12.932  -5.196  -3.141
   92    HZ1  LYS  11          1HZ       LYS  11 -13.594  -7.516  -3.131
   93    HZ2  LYS  11          2HZ       LYS  11 -15.220  -7.082  -3.303
   94    HZ3  LYS  11          3HZ       LYS  11 -14.378  -6.671  -1.893
   95    H    THR  12           H        THR  12 -12.528  -3.985  -7.787
   96    HA   THR  12           HA       THR  12 -10.586  -5.606  -6.515
   97    HB   THR  12           HB       THR  12 -10.691  -5.276  -9.489
   98    HG1  THR  12           HG1      THR  12 -12.763  -6.103  -7.798
   99   HG21  THR  12          1HG2      THR  12  -9.123  -6.834  -8.411
  100   HG22  THR  12          2HG2      THR  12 -10.326  -7.667  -9.408
  101   HG23  THR  12          3HG2      THR  12 -10.496  -7.644  -7.651
  102    H    LEU  13           H        LEU  13 -10.531  -2.643  -8.384
  103    HA   LEU  13           HA       LEU  13  -7.701  -2.381  -8.581
  104    HB2  LEU  13          1HB       LEU  13  -9.461  -0.004  -8.099
  105    HB3  LEU  13          2HB       LEU  13  -8.077  -0.140  -9.163
  106    HG   LEU  13           HG       LEU  13 -10.861  -1.125  -9.616
  107   HD11  LEU  13          1HD1      LEU  13  -9.202   0.978 -10.995
  108   HD12  LEU  13          2HD1      LEU  13 -10.577   1.256  -9.927
  109   HD13  LEU  13          3HD1      LEU  13 -10.816   0.466 -11.486
  110   HD21  LEU  13          1HD2      LEU  13  -8.422  -1.445 -11.380
  111   HD22  LEU  13          2HD2      LEU  13 -10.077  -1.848 -11.841
  112   HD23  LEU  13          3HD2      LEU  13  -9.279  -2.744 -10.548
  113    H    TYR  14           H        TYR  14 -10.021  -2.108  -6.141
  114    HA   TYR  14           HA       TYR  14  -8.697  -0.049  -4.652
  115    HB2  TYR  14          1HB       TYR  14 -11.241  -0.432  -5.163
  116    HB3  TYR  14          2HB       TYR  14 -11.142  -1.440  -3.721
  117    HD1  TYR  14           HD1      TYR  14 -10.918   1.905  -5.074
  118    HD2  TYR  14           HD2      TYR  14 -10.682  -0.494  -1.578
  119    HE1  TYR  14           HE1      TYR  14 -11.029   3.940  -3.666
  120    HE2  TYR  14           HE2      TYR  14 -10.779   1.489  -0.161
  121    HH   TYR  14           HH       TYR  14 -11.608   4.598  -1.423
  122    H    LEU  15           H        LEU  15  -9.861  -3.340  -4.058
  123    HA   LEU  15           HA       LEU  15  -8.636  -3.574  -1.527
  124    HB2  LEU  15          1HB       LEU  15  -9.177  -5.885  -1.649
  125    HB3  LEU  15          2HB       LEU  15 -10.465  -5.034  -2.482
  126    HG   LEU  15           HG       LEU  15  -8.688  -5.656  -4.514
  127   HD11  LEU  15          1HD1      LEU  15  -8.261  -8.038  -4.289
  128   HD12  LEU  15          2HD1      LEU  15  -8.939  -8.019  -2.662
  129   HD13  LEU  15          3HD1      LEU  15  -7.453  -7.134  -3.009
  130   HD21  LEU  15          1HD2      LEU  15 -11.149  -7.130  -3.594
  131   HD22  LEU  15          2HD2      LEU  15 -10.423  -7.240  -5.197
  132   HD23  LEU  15          3HD2      LEU  15 -11.109  -5.710  -4.642
  133    H    LYS  16           H        LYS  16  -7.523  -3.691  -4.747
  134    HA   LYS  16           HA       LYS  16  -4.987  -4.918  -4.223
  135    HB2  LYS  16          1HB       LYS  16  -5.996  -5.059  -6.461
  136    HB3  LYS  16          2HB       LYS  16  -6.010  -3.309  -6.576
  137    HG2  LYS  16          1HG       LYS  16  -3.446  -4.820  -6.228
  138    HG3  LYS  16          2HG       LYS  16  -4.176  -4.591  -7.814
  139    HD2  LYS  16          1HD       LYS  16  -3.658  -2.280  -5.958
  140    HD3  LYS  16          2HD       LYS  16  -2.407  -2.888  -7.057
  141    HE2  LYS  16          1HE       LYS  16  -5.145  -1.922  -7.889
  142    HE3  LYS  16          2HE       LYS  16  -3.663  -0.974  -7.991
  143    HZ1  LYS  16          1HZ       LYS  16  -4.253  -2.005 -10.108
  144    HZ2  LYS  16          2HZ       LYS  16  -4.143  -3.538  -9.409
  145    HZ3  LYS  16          3HZ       LYS  16  -2.765  -2.572  -9.539
  146    H    ILE  17           H        ILE  17  -6.377  -1.744  -4.646
  147    HA   ILE  17           HA       ILE  17  -4.112  -0.159  -4.784
  148    HB   ILE  17           HB       ILE  17  -6.816   0.266  -4.881
  149   HG12  ILE  17          1HG1      ILE  17  -6.104   2.717  -5.090
  150   HG13  ILE  17          2HG1      ILE  17  -4.478   2.138  -4.725
  151   HG21  ILE  17          1HG2      ILE  17  -5.812   1.762  -2.449
  152   HG22  ILE  17          2HG2      ILE  17  -7.027   0.483  -2.449
  153   HG23  ILE  17          3HG2      ILE  17  -7.361   2.016  -3.254
  154   HD11  ILE  17          1HD1      ILE  17  -4.532   0.693  -6.667
  155   HD12  ILE  17          2HD1      ILE  17  -4.880   2.357  -7.140
  156   HD13  ILE  17          3HD1      ILE  17  -6.191   1.180  -7.009
  157    H    SER  18           H        SER  18  -5.740  -1.531  -2.086
  158    HA   SER  18           HA       SER  18  -4.294   0.098  -0.192
  159    HB2  SER  18          1HB       SER  18  -6.638  -0.507   0.268
  160    HB3  SER  18          2HB       SER  18  -6.222  -2.214   0.233
  161    HG   SER  18           HG       SER  18  -5.423  -0.253   2.116
  162    H    PHE  19           H        PHE  19  -4.337  -3.064  -1.537
  163    HA   PHE  19           HA       PHE  19  -2.607  -4.464   0.136
  164    HB2  PHE  19          1HB       PHE  19  -3.557  -5.935  -1.300
  165    HB3  PHE  19          2HB       PHE  19  -3.724  -4.717  -2.563
  166    HD1  PHE  19           HD1      PHE  19  -1.177  -6.901  -0.937
  167    HD2  PHE  19           HD2      PHE  19  -2.409  -4.791  -4.417
  168    HE1  PHE  19           HE1      PHE  19   0.705  -7.860  -2.183
  169    HE2  PHE  19           HE2      PHE  19  -0.537  -5.727  -5.672
  170    HZ   PHE  19           HZ       PHE  19   1.033  -7.283  -4.563
  171    H    LEU  20           H        LEU  20  -1.740  -2.965  -3.029
  172    HA   LEU  20           HA       LEU  20   1.038  -3.397  -2.463
  173    HB2  LEU  20          1HB       LEU  20   1.545  -2.437  -4.515
  174    HB3  LEU  20          2HB       LEU  20  -0.035  -3.135  -4.787
  175    HG   LEU  20           HG       LEU  20   0.446  -0.218  -4.201
  176   HD11  LEU  20          1HD1      LEU  20   1.452  -0.857  -6.330
  177   HD12  LEU  20          2HD1      LEU  20   0.020   0.141  -6.577
  178   HD13  LEU  20          3HD1      LEU  20  -0.067  -1.601  -6.827
  179   HD21  LEU  20          1HD2      LEU  20  -1.890  -0.155  -5.292
  180   HD22  LEU  20          2HD2      LEU  20  -1.738  -0.626  -3.596
  181   HD23  LEU  20          3HD2      LEU  20  -1.953  -1.867  -4.846
  182    H    GLY  21           H        GLY  21  -1.275  -0.993  -1.809
  183    HA2  GLY  21          1HA       GLY  21   0.424   1.173  -1.178
  184    HA3  GLY  21          2HA       GLY  21  -1.226   0.929  -0.625
  185    H    CYS  22           H        CYS  22  -0.020  -1.800   0.289
  186    HA   CYS  22           HA       CYS  22   0.547  -1.025   3.024
  187    HB2  CYS  22          1HB       CYS  22   0.408  -3.718   1.641
  188    HB3  CYS  22          2HB       CYS  22   0.765  -3.499   3.343
  189    HG   CYS  22           HG       CYS  22  -2.143  -2.301   2.034
  190    H    LYS  23           H        LYS  23   1.985  -2.813   0.406
  191    HA   LYS  23           HA       LYS  23   4.568  -3.135   1.338
  192    HB2  LYS  23          1HB       LYS  23   3.535  -2.597  -1.408
  193    HB3  LYS  23          2HB       LYS  23   5.170  -3.148  -1.069
  194    HG2  LYS  23          1HG       LYS  23   4.257  -5.201  -0.071
  195    HG3  LYS  23          2HG       LYS  23   2.628  -4.648  -0.465
  196    HD2  LYS  23          1HD       LYS  23   3.136  -4.703  -2.823
  197    HD3  LYS  23          2HD       LYS  23   4.818  -5.119  -2.483
  198    HE2  LYS  23          1HE       LYS  23   2.389  -6.796  -1.880
  199    HE3  LYS  23          2HE       LYS  23   3.577  -7.093  -3.145
  200    HZ1  LYS  23          1HZ       LYS  23   4.006  -7.226  -0.212
  201    HZ2  LYS  23          2HZ       LYS  23   5.259  -7.304  -1.346
  202    HZ3  LYS  23          3HZ       LYS  23   4.070  -8.506  -1.319
  203    H    VAL  24           H        VAL  24   3.008  -0.550  -0.290
  204    HA   VAL  24           HA       VAL  24   5.377   1.054  -0.451
  205    HB   VAL  24           HB       VAL  24   2.519   1.796  -0.967
  206   HG11  VAL  24          1HG1      VAL  24   5.045   3.211  -1.764
  207   HG12  VAL  24          2HG1      VAL  24   3.907   3.748  -0.531
  208   HG13  VAL  24          3HG1      VAL  24   3.411   3.684  -2.222
  209   HG21  VAL  24          1HG2      VAL  24   3.379  -0.032  -2.378
  210   HG22  VAL  24          2HG2      VAL  24   4.687   1.030  -2.906
  211   HG23  VAL  24          3HG2      VAL  24   3.015   1.428  -3.306
  212    H    VAL  25           H        VAL  25   2.807   0.521   1.732
  213    HA   VAL  25           HA       VAL  25   3.078   2.867   3.302
  214    HB   VAL  25           HB       VAL  25   1.888   0.221   3.721
  215   HG11  VAL  25          1HG1      VAL  25   1.885   0.308   6.168
  216   HG12  VAL  25          2HG1      VAL  25   2.985   1.686   6.127
  217   HG13  VAL  25          3HG1      VAL  25   3.524   0.109   5.549
  218   HG21  VAL  25          1HG2      VAL  25   0.612   2.218   3.314
  219   HG22  VAL  25          2HG2      VAL  25   1.319   2.981   4.744
  220   HG23  VAL  25          3HG2      VAL  25   0.246   1.588   4.922
  221    H    ALA  26           H        ALA  26   4.860  -0.099   3.039
  222    HA   ALA  26           HA       ALA  26   6.520   0.258   5.271
  223    HB1  ALA  26          1HB       ALA  26   6.299  -1.886   4.104
  224    HB2  ALA  26          2HB       ALA  26   7.986  -1.391   4.253
  225    HB3  ALA  26          3HB       ALA  26   7.145  -1.206   2.714
  226    H    LEU  27           H        LEU  27   6.666   1.574   1.988
  227    HA   LEU  27           HA       LEU  27   9.247   2.745   2.667
  228    HB2  LEU  27          1HB       LEU  27   9.406   3.496   0.392
  229    HB3  LEU  27          2HB       LEU  27   9.006   1.795   0.452
  230    HG   LEU  27           HG       LEU  27   6.547   2.680   0.118
  231   HD11  LEU  27          1HD1      LEU  27   6.476   4.656  -1.321
  232   HD12  LEU  27          2HD1      LEU  27   8.205   4.896  -1.078
  233   HD13  LEU  27          3HD1      LEU  27   7.096   5.046   0.283
  234   HD21  LEU  27          1HD2      LEU  27   6.869   2.445  -2.307
  235   HD22  LEU  27          2HD2      LEU  27   7.717   1.193  -1.400
  236   HD23  LEU  27          3HD2      LEU  27   8.613   2.553  -2.073
  237    H    LEU  28           H        LEU  28   5.945   3.623   2.552
  238    HA   LEU  28           HA       LEU  28   6.423   6.465   2.415
  239    HB2  LEU  28          1HB       LEU  28   4.486   5.915   1.329
  240    HB3  LEU  28          2HB       LEU  28   4.079   4.646   2.463
  241    HG   LEU  28           HG       LEU  28   3.877   6.995   3.941
  242   HD11  LEU  28          1HD1      LEU  28   3.948   8.291   1.871
  243   HD12  LEU  28          2HD1      LEU  28   2.362   8.381   2.634
  244   HD13  LEU  28          3HD1      LEU  28   2.606   7.342   1.230
  245   HD21  LEU  28          1HD2      LEU  28   1.516   6.419   3.972
  246   HD22  LEU  28          2HD2      LEU  28   2.524   4.973   4.117
  247   HD23  LEU  28          3HD2      LEU  28   1.747   5.361   2.579
  248    H    LYS  29           H        LYS  29   4.577   4.541   4.806
  249    HA   LYS  29           HA       LYS  29   5.152   6.515   6.842
  250    HB2  LYS  29          1HB       LYS  29   3.501   3.996   6.819
  251    HB3  LYS  29          2HB       LYS  29   3.817   4.883   8.304
  252    HG2  LYS  29          1HG       LYS  29   2.717   6.846   7.391
  253    HG3  LYS  29          2HG       LYS  29   2.447   6.000   5.866
  254    HD2  LYS  29          1HD       LYS  29   0.987   4.422   6.925
  255    HD3  LYS  29          2HD       LYS  29   1.389   5.049   8.524
  256    HE2  LYS  29          1HE       LYS  29  -0.796   5.845   7.795
  257    HE3  LYS  29          2HE       LYS  29   0.341   7.180   7.958
  258    HZ1  LYS  29          1HZ       LYS  29  -0.385   5.869   5.396
  259    HZ2  LYS  29          2HZ       LYS  29   0.630   7.205   5.579
  260    HZ3  LYS  29          3HZ       LYS  29  -1.012   7.338   5.946
  261    H    ARG  30           H        ARG  30   5.936   3.303   5.956
  262    HA   ARG  30           HA       ARG  30   7.668   1.943   6.394
  263    HB2  ARG  30          1HB       ARG  30   8.869   4.258   7.926
  264    HB3  ARG  30          2HB       ARG  30   9.719   2.804   7.424
  265    HG2  ARG  30          1HG       ARG  30   9.392   3.404   5.086
  266    HG3  ARG  30          2HG       ARG  30   8.500   4.847   5.575
  267    HD2  ARG  30          1HD       ARG  30  11.399   4.233   6.122
  268    HD3  ARG  30          2HD       ARG  30  10.763   5.457   5.024
  269    HE   ARG  30           HE       ARG  30   9.898   5.747   7.751
  270   HH11  ARG  30          1HH1      ARG  30  12.321   6.610   5.384
  271   HH12  ARG  30          2HH1      ARG  30  12.909   7.964   6.293
  272   HH21  ARG  30          1HH2      ARG  30  10.656   7.542   8.946
  273   HH22  ARG  30          2HH2      ARG  30  11.948   8.509   8.308