*HEADER    MEMBRANE PROTEIN                        10-DEC-00   1HOF              
*TITLE     NMR STRUCTURE OF T3-I2, A 32 RESIDUE PEPTIDE FROM THE ALPHA-          
*TITLE    2 2A ADRENERGIC RECEPTOR                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-2A ADRENERGIC RECEPTOR;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SECOND INTRACELLULAR LOOP (RESIDUES 118-149);              
*COMPND   5 SYNONYM: ALPHA-2A ADRENOCEPTOR;                                      
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE OCCURS NATURALLY IN HOMO SAPIENS             
*SOURCE   5 (HUMAN).                                                             
*KEYWDS    HELIX-LINKER-HELIX                                                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.A.CHUNG, E.R.ZUIDERWEG, R.R.NEUBIG                                  
*REVDAT   1   24-JUL-02 1HOF    0                                                
<<<<<<<<<<<<<< variant A
   1 THR   CHI1   -355.0    -5.0
   1 THR   CHI1   -235.0   105.0
   1 THR   CHI21  -345.0   -15.0
   1 THR   CHI21  -105.0   225.0
   1 THR   PSI    -265.0    25.0
   1 THR   PSI    -135.0   135.0
   2 SER   PHI      25.0   325.0
   2 SER   PHI    -205.0    95.0
   2 SER   PSI    -115.0   125.0
   3 SER   PHI    -335.0   -25.0
   3 SER   PHI    -185.0    75.0
   3 SER   PSI    -115.0   235.0
   4 ILE   PHI    -295.0   -25.0
   4 ILE   PHI    -195.0    85.0
   4 ILE   CHI1   -215.0     5.0
   4 ILE   CHI21  -345.0   -15.0
   4 ILE   PSI    -135.0    15.0
   5 VAL   PHI    -335.0   -25.0
   5 VAL   PHI    -205.0    95.0
   5 VAL   CHI1     15.0   335.0
   5 VAL   CHI1   -285.0    45.0
   5 VAL   CHI1    -55.0   295.0
   5 VAL   PSI    -245.0     5.0
   6 HIS+  PHI    -335.0   -25.0
   6 HIS+  PHI    -185.0    75.0
   6 HIS+  PSI    -245.0     5.0
   7 LEU   PHI    -335.0   -25.0
   7 LEU   PHI    -165.0    65.0
   7 LEU   PSI    -265.0    15.0
   8 CYS   PHI    -325.0   -35.0
   8 CYS   PHI    -215.0    95.0
   8 CYS   CHI1   -345.0   -15.0
   8 CYS   CHI1   -205.0    95.0
   8 CYS   PSI    -235.0   -15.0
   9 ALA   PHI    -335.0   -25.0
   9 ALA   PHI    -205.0    95.0
   9 ALA   PSI    -125.0   125.0
  10 ILE   PHI    -335.0   -25.0
  10 ILE   PHI    -175.0    95.0
  10 ILE   CHI1   -225.0   105.0
  10 ILE   CHI1   -165.0   175.0
  10 ILE   CHI21  -345.0   -15.0
  10 ILE   PSI    -245.0    -5.0
  11 SER   PHI    -335.0   -25.0
  11 SER   PHI    -205.0    95.0
  11 SER   PSI    -135.0   135.0
  11 SER   PSI    -115.0   235.0
  12 LEU   PHI    -335.0   -25.0
  12 LEU   PHI    -205.0    95.0
  12 LEU   PSI    -135.0   135.0
  13 ASP-  PHI    -195.0   -25.0
  13 ASP-  PSI    -105.0    25.0
  14 ARG+  PHI    -325.0   -25.0
  14 ARG+  PHI    -215.0    95.0
  14 ARG+  CHI1   -215.0    95.0
  14 ARG+  CHI2   -345.0   -15.0
  14 ARG+  PSI    -245.0     5.0
  14 ARG+  PSI    -105.0   225.0
  15 TYR   PHI    -335.0   -25.0
  15 TYR   PHI    -205.0    85.0
  15 TYR   PSI     -95.0   105.0
  16 TRP   PHI    -295.0   -35.0
  16 TRP   PHI    -195.0    85.0
  16 TRP   CHI2     55.0   305.0
  16 TRP   CHI2   -155.0   155.0
  16 TRP   PSI    -285.0    35.0
  16 TRP   PSI    -245.0   105.0
  16 TRP   PSI    -145.0   135.0
  17 SER   PHI    -335.0   -25.0
  17 SER   PHI    -195.0    75.0
  17 SER   PSI    -145.0   135.0
  17 SER   PSI    -115.0   235.0
  18 ILE   PHI    -335.0   -25.0
  18 ILE   PHI    -205.0    95.0
  18 ILE   CHI1   -215.0    35.0
  18 ILE   CHI1   -165.0   175.0
  18 ILE   CHI21  -345.0   -15.0
  18 ILE   PSI    -235.0    -5.0
  19 THR   PHI    -305.0   -25.0
  19 THR   PHI    -205.0    85.0
  19 THR   CHI1   -355.0    -5.0
  19 THR   CHI1   -235.0    95.0
  19 THR   CHI21  -345.0   -15.0
  19 THR   CHI21  -105.0   225.0
  19 THR   PSI    -255.0    15.0
  19 THR   PSI    -135.0   115.0
  20 GLN   PHI    -335.0   -25.0
  20 GLN   PHI    -215.0    95.0
  20 GLN   CHI1   -225.0   115.0
  20 GLN   CHI2   -345.0   -15.0
  20 GLN   PSI    -125.0   125.0
  21 ALA   PHI    -335.0   -25.0
  21 ALA   PHI    -205.0    95.0
  21 ALA   PSI    -125.0   115.0
  22 ILE   PHI    -295.0   -25.0
  22 ILE   PHI    -195.0    95.0
  22 ILE   PHI    -165.0   175.0
  22 ILE   CHI1   -215.0    75.0
  22 ILE   CHI1   -165.0   175.0
  22 ILE   CHI21  -345.0   -15.0
  22 ILE   PSI    -125.0     5.0
  23 GLU-  PHI    -335.0   -25.0
  23 GLU-  PHI    -215.0    95.0
  23 GLU-  CHI1   -225.0   115.0
  23 GLU-  CHI2   -345.0   -15.0
  24 TYR   PHI    -315.0   -25.0
  24 TYR   PHI    -205.0    75.0
  24 TYR   PSI     -95.0    25.0
  25 ASN   PHI    -335.0   -25.0
  25 ASN   PHI    -215.0    95.0
  25 ASN   CHI1   -215.0    95.0
  25 ASN   CHI2   -165.0   155.0
  25 ASN   PSI    -105.0   125.0
  26 LEU   PHI    -335.0   -25.0
  26 LEU   PHI    -205.0    95.0
  26 LEU   CHI1   -265.0    25.0
  26 LEU   PSI    -135.0   125.0
  27 LYS+  PHI      25.0   295.0
  27 LYS+  PHI    -205.0    95.0
  27 LYS+  CHI2   -345.0   -15.0
  27 LYS+  PSI    -135.0   125.0
  27 LYS+  PSI      -5.0   235.0
  28 ARG+  PHI    -335.0   -25.0
  28 ARG+  PHI    -205.0    95.0
  28 ARG+  CHI1   -215.0   105.0
  28 ARG+  CHI2   -345.0   -15.0
  28 ARG+  PSI      -5.0   225.0
  29 THR   PHI    -335.0   -25.0
  29 THR   PHI    -205.0    95.0
  29 THR   CHI1   -355.0    -5.0
  29 THR   CHI1   -235.0   105.0
  29 THR   CHI21  -345.0   -15.0
  29 THR   CHI21  -105.0   225.0
  29 THR   PSI    -305.0   -45.0
  29 THR   PSI     -65.0   185.0
  30 PRO   PSI      45.0   205.0
  31 ARG+  PHI    -335.0   -25.0
  31 ARG+  PHI    -215.0    95.0
  31 ARG+  CHI1   -215.0   105.0
  31 ARG+  CHI2   -345.0   -15.0
  31 ARG+  PSI     -15.0   225.0
  32 ARG+  PHI    -335.0   -25.0
  32 ARG+  PHI    -205.0    95.0
  32 ARG+  CHI1   -215.0   105.0
  32 ARG+  CHI2   -345.0   -15.0
>>>>>>>>>>>>>> variant B
  1 THR  HN      1 THR  HB      3.79                
  1 THR  HN      2 SER  HN      3.73                
  1 THR  HA      4 ILE  HN      5.41                
  1 THR  HA      4 ILE  HB      4.14                
  1 THR  HB      2 SER  HN      3.95                
  2 SER  HN      2 SER  HB2     3.73                
  2 SER  HN      2 SER  HB3     3.73                
  2 SER  HN      3 SER  HN      3.61                
  2 SER  HA      3 SER  HN      3.45                
  2 SER  HA      5 VAL  HB      3.83                
  2 SER  HA      5 VAL  QG1     6.53                
  2 SER  HA      5 VAL  QG2     6.53                
  3 SER  HN      3 SER  HB2     3.39                
  3 SER  HN      3 SER  HB3     3.39                
  3 SER  HA      4 ILE  HN      3.55                
  3 SER  HA      5 VAL  HN      6.00                
  3 SER  HA      6 HIS+ QB      4.46                
  3 SER  HA      6 HIS+ HD2     7.00                
  4 ILE  HN      4 ILE  HB      3.11                
  4 ILE  HN      4 ILE  HG12    5.16                
  4 ILE  HN      4 ILE  HG13    5.16                
  4 ILE  HN      4 ILE  QG1     4.71                
  4 ILE  HN      5 VAL  HN      3.64                
  4 ILE  HA      7 LEU  HN      3.61                
  4 ILE  HA      7 LEU  HB2     4.26                
  4 ILE  HA      7 LEU  HB3     4.26                
  4 ILE  HA      7 LEU  QB      4.06                
  4 ILE  HB      5 VAL  HN      3.67                
  5 VAL  HN      5 VAL  HB      3.30                
  5 VAL  HA      8 CYS  HN      4.35                
  5 VAL  HA      8 CYS  HB2     4.60                
  5 VAL  HA      8 CYS  HB3     4.60                
  5 VAL  HA      8 CYS  QB      4.09                
  5 VAL  HB      6 HIS+ HN      3.45                
  5 VAL  QG1     6 HIS+ HN      6.43                
  5 VAL  QG2     6 HIS+ HN      6.43                
  5 VAL  QQG     6 HIS+ HN      5.87                
  5 VAL  QQG     6 HIS+ HA      8.09                
  6 HIS+ HN      6 HIS+ HB2     3.39                
  6 HIS+ HN      6 HIS+ HB3     3.39                
  6 HIS+ HN      6 HIS+ QB      3.16                
  6 HIS+ HA      6 HIS+ HD2     5.50                
  6 HIS+ HA      9 ALA  HN      3.95                
  6 HIS+ HA      9 ALA  QB      5.04                
  6 HIS+ HB2     7 LEU  HN      4.20                
  6 HIS+ HB3     7 LEU  HN      4.20                
  6 HIS+ QB      7 LEU  HN      3.77                
  6 HIS+ HD2     7 LEU  HA      5.50                
  7 LEU  HN      7 LEU  HB2     3.55                
  7 LEU  HN      7 LEU  HB3     3.55                
  7 LEU  HN      7 LEU  QB      3.31                
  7 LEU  HN      7 LEU  HG      4.35                
  7 LEU  HN      7 LEU  QQD     6.42                
  7 LEU  HN      8 CYS  HN      6.00                
  7 LEU  HA     10 ILE  QG1     6.88                
  7 LEU  HA     10 ILE  QD1     7.00                
  7 LEU  HB2     8 CYS  HN      4.07                
  7 LEU  HB3     8 CYS  HN      4.07                
  8 CYS  HN      8 CYS  HB2     3.95                
  8 CYS  HN      8 CYS  HB3     3.95                
  8 CYS  HN      8 CYS  QB      3.65                
  8 CYS  HA      9 ALA  HN      3.55                
  8 CYS  HA     11 SER  HN      3.98                
  8 CYS  HA     11 SER  HB2     5.10                
  8 CYS  HA     11 SER  HB3     5.10                
  8 CYS  HB2     9 ALA  HN      4.07                
  8 CYS  HB3     9 ALA  HN      4.07                
  8 CYS  QB      9 ALA  HN      3.60                
  9 ALA  HN     10 ILE  HN      3.58                
  9 ALA  HA     12 LEU  QB      5.57                
  9 ALA  HA     12 LEU  HG      5.50                
  9 ALA  HA     13 ASP- HN      7.00                
 10 ILE  HN     10 ILE  HB      3.33                
 10 ILE  HN     10 ILE  HG12    4.57                
 10 ILE  HN     10 ILE  HG13    4.57                
 10 ILE  HN     10 ILE  QG1     4.30                
 10 ILE  HA     13 ASP- HN      4.60                
 10 ILE  HA     13 ASP- HB2     4.63                
 10 ILE  HA     13 ASP- HB3     4.63                
 10 ILE  HA     13 ASP- QB      4.42                
 10 ILE  HB     11 SER  HN      3.45                
 10 ILE  QG2    11 SER  HN      5.94                
 10 ILE  QG2    11 SER  HA      6.53                
 10 ILE  HG12   11 SER  HN      5.50                
 10 ILE  HG13   11 SER  HN      5.50                
 11 SER  HN     11 SER  HB2     3.73                
 11 SER  HN     11 SER  HB3     3.73                
 11 SER  HN     11 SER  QB      3.41                
 11 SER  HN     12 LEU  HN      3.76                
 11 SER  HA     12 LEU  HN      3.61                
 11 SER  HA     13 ASP- HN      8.00                
 11 SER  HA     14 ARG+ HN      5.38                
 11 SER  HA     14 ARG+ HB2     5.13                
 11 SER  HA     14 ARG+ HB3     5.13                
 11 SER  HA     14 ARG+ QB      4.99                
 11 SER  HA     15 TYR  QD      7.64                
 11 SER  HA     15 TYR  QE      6.00                
 11 SER  QB     12 LEU  QB      7.26                
 11 SER  QB     15 TYR  QD      8.88                
 11 SER  QB     15 TYR  QE      6.88                
 12 LEU  HN     12 LEU  HG      5.19                
 12 LEU  HN     12 LEU  QD1     6.09                
 12 LEU  HN     12 LEU  QD2     6.09                
 12 LEU  HN     13 ASP- HN      3.70                
 12 LEU  HA     12 LEU  HG      3.58                
 12 LEU  HA     12 LEU  QD1     5.85                
 12 LEU  HA     12 LEU  QD2     5.85                
 12 LEU  HA     15 TYR  HN      4.32                
 12 LEU  HA     15 TYR  HB2     6.00                
 12 LEU  HA     15 TYR  HB3     6.00                
 12 LEU  HA     15 TYR  QD      7.64                
 12 LEU  HA     15 TYR  QE      6.00                
 12 LEU  QB     13 ASP- HN      5.23                
 12 LEU  HG     13 ASP- HN      5.50                
 13 ASP- HN     13 ASP- HB2     3.58                
 13 ASP- HN     13 ASP- HB3     3.58                
 13 ASP- HN     13 ASP- QB      3.39                
 13 ASP- HN     14 ARG+ HN      3.14                
 13 ASP- HA     16 TRP  QB      5.67                
 13 ASP- HA     16 TRP  HD1     5.50                
 13 ASP- HA     16 TRP  HE3     5.50                
 13 ASP- HB2    14 ARG+ HN      4.17                
 13 ASP- HB3    14 ARG+ HN      4.17                
 13 ASP- QB     14 ARG+ HN      4.00                
 14 ARG+ HN     14 ARG+ HB2     3.73                
 14 ARG+ HN     14 ARG+ HB3     3.73                
 14 ARG+ HN     14 ARG+ QB      3.50                
 14 ARG+ HN     14 ARG+ HG2     5.50                
 14 ARG+ HN     14 ARG+ HG3     5.50                
 14 ARG+ HA     16 TRP  HN      6.00                
 14 ARG+ HA     17 SER  HB2     6.00                
 14 ARG+ HA     17 SER  HB3     6.00                
 14 ARG+ HB2    15 TYR  HN      3.89                
 14 ARG+ HB3    15 TYR  HN      3.89                
 14 ARG+ QB     15 TYR  HN      3.72                
 14 ARG+ QD     15 TYR  QE      6.00                
 15 TYR  HN     15 TYR  HB2     3.76                
 15 TYR  HN     15 TYR  HB3     3.76                
 15 TYR  HN     15 TYR  QB      3.50                
 15 TYR  HN     16 TRP  HN      3.33                
 15 TYR  HA     15 TYR  QE      6.00                
 15 TYR  HA     18 ILE  HB      4.01                
 15 TYR  HA     18 ILE  QD1     6.53                
 15 TYR  HA     19 THR  HN      5.00                
 15 TYR  QD     16 TRP  HN      7.64                
 16 TRP  HN     16 TRP  HB2     3.58                
 16 TRP  HN     16 TRP  HB3     3.58                
 16 TRP  HN     16 TRP  QB      3.40                
 16 TRP  HN     16 TRP  HD1     5.50                
 16 TRP  HN     16 TRP  HE3     5.50                
 16 TRP  HN     17 SER  HN      3.76                
 16 TRP  HA     16 TRP  HD1     4.88                
 16 TRP  HA     16 TRP  HE3     3.83                
 16 TRP  HA     19 THR  HN      4.57                
 16 TRP  HA     19 THR  HB      5.50                
 16 TRP  HA     19 THR  QG2     6.50                
 16 TRP  HB2    17 SER  HN      4.32                
 16 TRP  HB3    17 SER  HN      4.32                
 16 TRP  QB     17 SER  HN      4.15                
 16 TRP  HD1    17 SER  HN      5.50                
 16 TRP  HD1    17 SER  HA      5.50                
 16 TRP  HE3    17 SER  HN      8.00                
 16 TRP  HE3    17 SER  HA      6.00                
 16 TRP  HE3    19 THR  HN      5.50                
 16 TRP  HE3    19 THR  HB      5.50                
 17 SER  HN     17 SER  HB2     3.52                
 17 SER  HN     17 SER  HB3     3.52                
 17 SER  HN     18 ILE  HN      3.83                
 17 SER  HA     18 ILE  HN      3.64                
 17 SER  HA     20 GLN  QB      5.00                
 17 SER  HA     20 GLN  HG2     6.00                
 17 SER  HA     20 GLN  HG3     6.00                
 18 ILE  HN     18 ILE  HB      3.27                
 18 ILE  HN     18 ILE  HG12    5.10                
 18 ILE  HN     18 ILE  HG13    5.10                
 18 ILE  HN     18 ILE  QG1     4.64                
 18 ILE  HA     18 ILE  HG12    4.26                
 18 ILE  HA     18 ILE  HG13    4.26                
 18 ILE  HA     21 ALA  QB      4.95                
 18 ILE  HB     19 THR  HN      3.42                
 18 ILE  QG2    19 THR  HA      6.53                
 19 THR  HN     19 THR  HB      3.73                
 19 THR  HN     20 GLN  HN      3.70                
 19 THR  HA     22 ILE  HB      3.33                
 19 THR  HA     22 ILE  QD1     5.01                
 19 THR  HB     20 GLN  HN      3.73                
 19 THR  QG2    20 GLN  HN      6.53                
 19 THR  QG2    20 GLN  HA      6.53                
 20 GLN  HN     20 GLN  HG2     5.50                
 20 GLN  HN     20 GLN  HG3     5.50                
 20 GLN  HN     20 GLN  QG      5.05                
 20 GLN  HN     21 ALA  HN      3.58                
 21 ALA  HN     22 ILE  HN      3.48                
 21 ALA  HA     24 TYR  QB      4.40                
 21 ALA  QB     22 ILE  HA      6.53                
 22 ILE  HN     22 ILE  HB      3.33                
 22 ILE  HN     22 ILE  HG12    4.76                
 22 ILE  HN     22 ILE  HG13    4.76                
 22 ILE  HN     22 ILE  QG1     4.33                
 22 ILE  HN     22 ILE  QD1     6.53                
 22 ILE  HN     23 GLU- HN      3.55                
 22 ILE  HA     22 ILE  HG12    3.83                
 22 ILE  HA     22 ILE  HG13    3.83                
 22 ILE  HA     25 ASN  HN      4.81                
 22 ILE  HA     25 ASN  HB2     6.00                
 22 ILE  HA     25 ASN  HB3     6.00                
 22 ILE  HA     25 ASN  QB      5.17                
 22 ILE  HB     23 GLU- HN      3.65                
 22 ILE  QG2    23 GLU- HN      5.60                
 22 ILE  QG2    23 GLU- HA      4.92                
 23 GLU- HN     23 GLU- HG2     5.50                
 23 GLU- HN     23 GLU- HG3     5.50                
 23 GLU- HN     23 GLU- QG      5.02                
 23 GLU- HA     24 TYR  HN      3.52                
 23 GLU- HA     25 ASN  QD2     8.87                
 23 GLU- HA     26 LEU  HN      5.00                
 23 GLU- HA     26 LEU  QB      4.92                
 23 GLU- HA     26 LEU  HG      5.50                
 23 GLU- HA     27 LYS+ HN      5.04                
 23 GLU- QB     24 TYR  HN      4.55                
 23 GLU- QG     24 TYR  HN      6.38                
 24 TYR  HN     24 TYR  HB2     3.70                
 24 TYR  HN     24 TYR  HB3     3.70                
 24 TYR  HN     24 TYR  QB      3.38                
 24 TYR  HN     25 ASN  HN      3.45                
 24 TYR  HA     25 ASN  QD2     6.37                
 24 TYR  HB2    25 ASN  HN      4.57                
 24 TYR  HB3    25 ASN  HN      4.57                
 24 TYR  QB     25 ASN  HN      4.09                
 24 TYR  QD     25 ASN  HN      7.64                
 24 TYR  QD     25 ASN  HA      7.64                
 25 ASN  HN     25 ASN  HB2     3.86                
 25 ASN  HN     25 ASN  HB3     3.86                
 25 ASN  HN     25 ASN  QB      3.47                
 25 ASN  HN     25 ASN  QD2     6.37                
 25 ASN  HN     26 LEU  HN      3.52                
 25 ASN  HN     26 LEU  QB      5.60                
 25 ASN  HA     27 LYS+ HN      7.00                
 25 ASN  HA     28 ARG+ HN      5.07                
 25 ASN  HA     28 ARG+ HB2     7.00                
 25 ASN  HA     28 ARG+ HB3     7.00                
 25 ASN  HA     28 ARG+ QB      6.70                
 25 ASN  HA     28 ARG+ QG      7.00                
 25 ASN  HB2    26 LEU  HN      4.82                
 25 ASN  HB3    26 LEU  HN      4.82                
 25 ASN  QD2    26 LEU  HN      6.37                
 26 LEU  HN     26 LEU  HG      4.63                
 26 LEU  HN     26 LEU  QQD     6.92                
 26 LEU  HN     27 LYS+ HN      3.61                
 26 LEU  HA     26 LEU  HG      3.55                
 26 LEU  QQD    27 LYS+ HN      8.10                
 27 LYS+ HN     27 LYS+ HB2     3.83                
 27 LYS+ HN     27 LYS+ HB3     3.83                
 27 LYS+ HN     27 LYS+ QB      3.45                
 27 LYS+ HN     27 LYS+ HG2     5.50                
 27 LYS+ HN     27 LYS+ HG3     5.50                
 27 LYS+ HN     28 ARG+ HN      3.64                
 27 LYS+ HA     28 ARG+ HN      3.14                
 28 ARG+ HN     28 ARG+ HB2     3.70                
 28 ARG+ HN     28 ARG+ HB3     3.70                
 28 ARG+ HN     28 ARG+ QB      3.52                
 28 ARG+ HN     28 ARG+ QG      6.38                
 28 ARG+ HA     29 THR  HN      3.11                
 29 THR  HN     29 THR  HB      3.92                
 29 THR  QG2    30 PRO  QD      7.38                
 30 PRO  HA     31 ARG+ HN      2.93                
 31 ARG+ HN     31 ARG+ HB2     3.86                
 31 ARG+ HN     31 ARG+ HB3     3.86                
 31 ARG+ HN     31 ARG+ QB      3.69                
 31 ARG+ HN     31 ARG+ QG      6.38                
 31 ARG+ HN     32 ARG+ HN      4.48                
 31 ARG+ HA     32 ARG+ HN      3.24                
 32 ARG+ HN     32 ARG+ HB2     3.67                
 32 ARG+ HN     32 ARG+ HB3     3.67                
 32 ARG+ HN     32 ARG+ QG      6.38                
======= end of combination

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    THR   1           H        THR   1 -28.851  27.406   4.215
    2    HA   THR   1           HA       THR   1 -26.707  25.401   4.365
    3    HB   THR   1           HB       THR   1 -26.186  27.720   5.149
    4    HG1  THR   1           1HG      THR   1 -25.154  26.083   6.352
    5   1HG2  THR   1          1HG2      THR   1 -27.284  28.602   7.163
    6   2HG2  THR   1          2HG2      THR   1 -28.538  28.308   5.934
    7   3HG2  THR   1          3HG2      THR   1 -28.318  27.157   7.274
    8    H    SER   2           H        SER   2 -29.762  26.467   5.985
    9    HA   SER   2           HA       SER   2 -29.783  23.972   7.409
   10   1HB   SER   2          1HB       SER   2 -30.445  26.114   8.519
   11   2HB   SER   2          2HB       SER   2 -31.785  26.276   7.401
   12    HG   SER   2           HG       SER   2 -31.918  25.092   9.713
   13    H    SER   3           H        SER   3 -30.874  25.267   4.406
   14    HA   SER   3           HA       SER   3 -33.159  23.519   4.281
   15   1HB   SER   3          1HB       SER   3 -32.441  25.984   3.073
   16   2HB   SER   3          2HB       SER   3 -32.454  24.820   1.763
   17    HG   SER   3           HG       SER   3 -34.581  25.861   3.245
   18    H    ILE   4           H        ILE   4 -30.599  22.225   4.633
   19    HA   ILE   4           HA       ILE   4 -30.489  20.778   2.094
   20    HB   ILE   4           HB       ILE   4 -28.191  21.986   3.607
   21   1HG1  ILE   4          1HG1      ILE   4 -28.429  21.918   0.630
   22   2HG1  ILE   4          2HG1      ILE   4 -29.522  22.970   1.507
   23   1HG2  ILE   4          1HG2      ILE   4 -28.276  19.399   2.204
   24   2HG2  ILE   4          2HG2      ILE   4 -26.981  20.495   1.667
   25   3HG2  ILE   4          3HG2      ILE   4 -27.105  20.037   3.382
   26   1HD1  ILE   4          1HD1      ILE   4 -27.826  24.364   2.248
   27   2HD1  ILE   4          2HD1      ILE   4 -26.635  23.043   2.332
   28   3HD1  ILE   4          3HD1      ILE   4 -27.054  23.765   0.760
   29    H    VAL   5           H        VAL   5 -29.053  20.747   5.438
   30    HA   VAL   5           HA       VAL   5 -28.744  18.102   5.760
   31    HB   VAL   5           HB       VAL   5 -29.757  20.165   7.720
   32   1HG1  VAL   5          1HG1      VAL   5 -29.779  17.389   8.092
   33   2HG1  VAL   5          2HG1      VAL   5 -28.301  17.948   8.912
   34   3HG1  VAL   5          3HG1      VAL   5 -29.880  18.642   9.351
   35   1HG2  VAL   5          1HG2      VAL   5 -27.015  19.150   6.945
   36   2HG2  VAL   5          2HG2      VAL   5 -27.629  20.821   6.943
   37   3HG2  VAL   5          3HG2      VAL   5 -27.315  19.990   8.485
   38    H    HIS   6           H        HIS   6 -31.806  19.893   6.573
   39    HA   HIS   6           HA       HIS   6 -33.353  17.853   7.331
   40   1HB   HIS   6          1HB       HIS   6 -33.872  20.361   7.008
   41   2HB   HIS   6          2HB       HIS   6 -34.382  19.922   5.390
   42    HD1  HIS   6           1HD      HIS   6 -35.050  17.997   8.635
   43    HD2  HIS   6           2HD      HIS   6 -37.114  20.042   5.609
   44    HE1  HIS   6           1HE      HIS   6 -37.534  17.637   9.095
   45    HE2  HIS   6           2HE      HIS   6 -38.752  18.962   7.235
   46    H    LEU   7           H        LEU   7 -32.652  18.791   3.903
   47    HA   LEU   7           HA       LEU   7 -34.231  16.748   2.792
   48   1HB   LEU   7          1HB       LEU   7 -33.705  18.663   1.506
   49   2HB   LEU   7          2HB       LEU   7 -31.982  18.457   1.750
   50    HG   LEU   7           HG       LEU   7 -33.022  16.094   0.485
   51   1HD1  LEU   7          1HD1      LEU   7 -33.444  18.348  -1.395
   52   2HD1  LEU   7          2HD1      LEU   7 -34.263  16.772  -1.276
   53   3HD1  LEU   7          3HD1      LEU   7 -34.706  18.092  -0.166
   54   1HD2  LEU   7          1HD2      LEU   7 -31.375  18.030  -1.048
   55   2HD2  LEU   7          2HD2      LEU   7 -30.700  17.447   0.492
   56   3HD2  LEU   7          3HD2      LEU   7 -31.155  16.284  -0.776
   57    H    CYS   8           H        CYS   8 -30.658  17.015   3.383
   58    HA   CYS   8           HA       CYS   8 -29.927  14.587   2.408
   59   1HB   CYS   8          1HB       CYS   8 -28.612  16.599   3.637
   60   2HB   CYS   8          2HB       CYS   8 -28.617  15.435   4.947
   61    HG   CYS   8           HG       CYS   8 -28.144  13.651   2.540
   62    H    ALA   9           H        ALA   9 -31.719  15.437   5.349
   63    HA   ALA   9           HA       ALA   9 -31.303  13.079   6.793
   64   1HB   ALA   9          1HB       ALA   9 -33.882  14.644   6.869
   65   2HB   ALA   9          2HB       ALA   9 -32.966  13.913   8.208
   66   3HB   ALA   9          3HB       ALA   9 -32.367  15.395   7.425
   67    H    ILE  10           H        ILE  10 -33.565  13.983   4.160
   68    HA   ILE  10           HA       ILE  10 -35.027  11.528   4.410
   69    HB   ILE  10           HB       ILE  10 -35.052  13.781   2.407
   70   1HG1  ILE  10          1HG1      ILE  10 -35.898  14.335   4.643
   71   2HG1  ILE  10          2HG1      ILE  10 -37.166  14.371   3.434
   72   1HG2  ILE  10          1HG2      ILE  10 -35.869  12.214   0.999
   73   2HG2  ILE  10          2HG2      ILE  10 -36.330  11.107   2.314
   74   3HG2  ILE  10          3HG2      ILE  10 -37.366  12.499   1.919
   75   1HD1  ILE  10          1HD1      ILE  10 -36.673  12.305   5.594
   76   2HD1  ILE  10          2HD1      ILE  10 -38.173  13.181   5.204
   77   3HD1  ILE  10          3HD1      ILE  10 -37.602  11.874   4.138
   78    H    SER  11           H        SER  11 -32.895  12.968   1.836
   79    HA   SER  11           HA       SER  11 -32.667  10.450   0.578
   80   1HB   SER  11          1HB       SER  11 -31.112  11.607  -0.943
   81   2HB   SER  11          2HB       SER  11 -32.550  12.574  -0.683
   82    HG   SER  11           HG       SER  11 -31.235  13.679   1.068
   83    H    LEU  12           H        LEU  12 -31.969   9.474   2.825
   84    HA   LEU  12           HA       LEU  12 -29.153   9.025   2.659
   85   1HB   LEU  12          1HB       LEU  12 -28.968  11.026   3.895
   86   2HB   LEU  12          2HB       LEU  12 -30.305  10.605   4.947
   87    HG   LEU  12           HG       LEU  12 -28.747   8.586   5.629
   88   1HD1  LEU  12          1HD1      LEU  12 -27.018  10.148   3.926
   89   2HD1  LEU  12          2HD1      LEU  12 -26.368  10.079   5.582
   90   3HD1  LEU  12          3HD1      LEU  12 -26.730   8.573   4.705
   91   1HD2  LEU  12          1HD2      LEU  12 -29.600  10.521   7.026
   92   2HD2  LEU  12          2HD2      LEU  12 -28.056   9.797   7.537
   93   3HD2  LEU  12          3HD2      LEU  12 -28.065  11.345   6.657
   94    H    ASP  13           H        ASP  13 -31.926   8.808   5.006
   95    HA   ASP  13           HA       ASP  13 -31.353   6.549   6.226
   96   1HB   ASP  13          1HB       ASP  13 -33.455   7.895   6.499
   97   2HB   ASP  13          2HB       ASP  13 -34.076   7.213   5.009
   98    H    ARG  14           H        ARG  14 -32.914   6.853   2.958
   99    HA   ARG  14           HA       ARG  14 -33.518   4.345   2.385
  100   1HB   ARG  14          1HB       ARG  14 -33.633   6.433   0.877
  101   2HB   ARG  14          2HB       ARG  14 -31.970   6.110   0.429
  102   1HG   ARG  14          1HG       ARG  14 -32.614   4.518  -1.053
  103   2HG   ARG  14          2HG       ARG  14 -33.496   3.652   0.189
  104   1HD   ARG  14          1HD       ARG  14 -34.892   6.117  -0.656
  105   2HD   ARG  14          2HD       ARG  14 -34.627   5.014  -1.992
  106    HE   ARG  14           HE       ARG  14 -35.672   3.739   0.450
  107   1HH1  ARG  14          1HH1      ARG  14 -38.770   3.125  -1.034
  108   2HH1  ARG  14          2HH1      ARG  14 -37.745   2.787   0.321
  109   1HH2  ARG  14          1HH2      ARG  14 -38.037   4.544  -2.718
  110   2HH2  ARG  14          2HH2      ARG  14 -36.465   5.265  -2.620
  111    H    TYR  15           H        TYR  15 -30.219   5.803   2.341
  112    HA   TYR  15           HA       TYR  15 -29.111   3.153   1.738
  113   1HB   TYR  15          1HB       TYR  15 -27.779   5.921   1.884
  114   2HB   TYR  15          2HB       TYR  15 -27.140   4.504   1.075
  115    HD1  TYR  15           1HD      TYR  15 -28.870   7.547   0.621
  116    HD2  TYR  15           2HD      TYR  15 -28.647   3.551  -0.892
  117    HE1  TYR  15           1HE      TYR  15 -29.930   8.306  -1.562
  118    HE2  TYR  15           2HE      TYR  15 -29.708   4.324  -3.069
  119    HH   TYR  15           HH       TYR  15 -30.918   7.611  -3.417
  120    H    TRP  16           H        TRP  16 -30.145   3.318   4.303
  121    HA   TRP  16           HA       TRP  16 -27.704   3.667   5.908
  122   1HB   TRP  16          1HB       TRP  16 -29.261   5.381   6.515
  123   2HB   TRP  16          2HB       TRP  16 -30.579   4.233   6.633
  124    HD1  TRP  16           HD       TRP  16 -31.138   3.879   9.153
  125    HE1  TRP  16           1HE      TRP  16 -29.869   3.614  11.451
  126    HE3  TRP  16           3HE      TRP  16 -26.466   4.497   7.244
  127    HZ2  TRP  16           2HZ      TRP  16 -27.115   3.691  12.196
  128    HZ3  TRP  16           3HZ      TRP  16 -24.542   4.388   8.825
  129    HH2  TRP  16           HH       TRP  16 -24.809   4.001  11.223
  130    H    SER  17           H        SER  17 -30.994   2.129   6.184
  131    HA   SER  17           HA       SER  17 -30.281   0.066   7.743
  132   1HB   SER  17          1HB       SER  17 -32.575   0.822   6.525
  133   2HB   SER  17          2HB       SER  17 -32.186  -0.547   5.504
  134    HG   SER  17           HG       SER  17 -33.182  -0.519   8.074
  135    H    ILE  18           H        ILE  18 -30.325   0.091   4.105
  136    HA   ILE  18           HA       ILE  18 -29.450  -2.471   3.688
  137    HB   ILE  18           HB       ILE  18 -28.981   0.064   2.125
  138   1HG1  ILE  18          1HG1      ILE  18 -30.905  -2.168   1.484
  139   2HG1  ILE  18          2HG1      ILE  18 -31.346  -0.884   2.591
  140   1HG2  ILE  18          1HG2      ILE  18 -27.986  -2.677   1.668
  141   2HG2  ILE  18          2HG2      ILE  18 -28.801  -1.920   0.279
  142   3HG2  ILE  18          3HG2      ILE  18 -27.407  -1.116   1.039
  143   1HD1  ILE  18          1HD1      ILE  18 -30.960  -0.792  -0.358
  144   2HD1  ILE  18          2HD1      ILE  18 -32.015   0.193   0.683
  145   3HD1  ILE  18          3HD1      ILE  18 -30.288   0.595   0.532
  146    H    THR  19           H        THR  19 -27.376   0.516   3.819
  147    HA   THR  19           HA       THR  19 -24.932  -0.586   3.619
  148    HB   THR  19           HB       THR  19 -25.959   1.626   5.468
  149    HG1  THR  19           1HG      THR  19 -24.997   2.804   3.557
  150   1HG2  THR  19          1HG2      THR  19 -23.157   0.683   4.786
  151   2HG2  THR  19          2HG2      THR  19 -23.471   2.428   4.944
  152   3HG2  THR  19          3HG2      THR  19 -23.771   1.342   6.322
  153    H    GLN  20           H        GLN  20 -26.640  -0.216   6.803
  154    HA   GLN  20           HA       GLN  20 -24.816  -1.464   8.326
  155   1HB   GLN  20          1HB       GLN  20 -27.110  -0.382   8.930
  156   2HB   GLN  20          2HB       GLN  20 -27.785  -1.982   8.696
  157   1HG   GLN  20          1HG       GLN  20 -25.331  -1.891  10.395
  158   2HG   GLN  20          2HG       GLN  20 -26.728  -1.079  11.074
  159   1HE2  GLN  20          1HE2      GLN  20 -28.675  -2.230  11.387
  160   2HE2  GLN  20          2HE2      GLN  20 -28.698  -3.951  11.584
  161    H    ALA  21           H        ALA  21 -27.643  -3.089   6.705
  162    HA   ALA  21           HA       ALA  21 -26.181  -5.618   7.000
  163   1HB   ALA  21          1HB       ALA  21 -29.113  -4.881   6.862
  164   2HB   ALA  21          2HB       ALA  21 -28.562  -6.534   6.497
  165   3HB   ALA  21          3HB       ALA  21 -28.253  -5.827   8.101
  166    H    ILE  22           H        ILE  22 -24.925  -4.447   5.094
  167    HA   ILE  22           HA       ILE  22 -26.331  -4.559   2.586
  168    HB   ILE  22           HB       ILE  22 -24.417  -2.959   3.453
  169   1HG1  ILE  22          1HG1      ILE  22 -24.421  -3.884   0.572
  170   2HG1  ILE  22          2HG1      ILE  22 -25.732  -2.955   1.270
  171   1HG2  ILE  22          1HG2      ILE  22 -22.221  -3.542   2.707
  172   2HG2  ILE  22          2HG2      ILE  22 -22.813  -4.855   3.753
  173   3HG2  ILE  22          3HG2      ILE  22 -22.806  -5.060   1.985
  174   1HD1  ILE  22          1HD1      ILE  22 -23.667  -1.406   2.096
  175   2HD1  ILE  22          2HD1      ILE  22 -22.926  -2.111   0.639
  176   3HD1  ILE  22          3HD1      ILE  22 -24.446  -1.194   0.510
  177    H    GLU  23           H        GLU  23 -23.825  -6.434   4.373
  178    HA   GLU  23           HA       GLU  23 -23.167  -8.156   2.353
  179   1HB   GLU  23          1HB       GLU  23 -22.465  -7.840   4.996
  180   2HB   GLU  23          2HB       GLU  23 -23.346  -9.353   5.075
  181   1HG   GLU  23          1HG       GLU  23 -21.134 -10.047   4.601
  182   2HG   GLU  23          2HG       GLU  23 -21.908 -10.096   3.030
  183    H    TYR  24           H        TYR  24 -26.136  -7.865   4.180
  184    HA   TYR  24           HA       TYR  24 -27.085 -10.462   4.125
  185   1HB   TYR  24          1HB       TYR  24 -28.117  -8.491   5.287
  186   2HB   TYR  24          2HB       TYR  24 -28.381  -7.692   3.749
  187    HD1  TYR  24           1HD      TYR  24 -30.559  -7.691   2.970
  188    HD2  TYR  24           2HD      TYR  24 -29.224 -11.001   5.329
  189    HE1  TYR  24           1HE      TYR  24 -32.876  -8.729   2.837
  190    HE2  TYR  24           2HE      TYR  24 -31.546 -12.028   5.188
  191    HH   TYR  24           HH       TYR  24 -33.528 -11.742   3.301
  192    H    ASN  25           H        ASN  25 -26.931  -7.975   1.552
  193    HA   ASN  25           HA       ASN  25 -27.752 -10.057  -0.287
  194   1HB   ASN  25          1HB       ASN  25 -29.233  -7.583   0.323
  195   2HB   ASN  25          2HB       ASN  25 -28.794  -7.647  -1.372
  196   1HD2  ASN  25          1HD2      ASN  25 -30.456  -9.272   1.250
  197   2HD2  ASN  25          2HD2      ASN  25 -31.485 -10.287   0.295
  198    H    LEU  26           H        LEU  26 -25.372 -10.058  -0.716
  199    HA   LEU  26           HA       LEU  26 -24.555  -7.706  -2.274
  200   1HB   LEU  26          1HB       LEU  26 -23.262  -7.559  -0.354
  201   2HB   LEU  26          2HB       LEU  26 -23.073  -9.296  -0.213
  202    HG   LEU  26           HG       LEU  26 -21.616  -9.253  -2.253
  203   1HD1  LEU  26          1HD1      LEU  26 -20.609  -6.891  -2.684
  204   2HD1  LEU  26          2HD1      LEU  26 -22.144  -7.352  -3.459
  205   3HD1  LEU  26          3HD1      LEU  26 -22.153  -6.307  -2.019
  206   1HD2  LEU  26          1HD2      LEU  26 -19.666  -8.655  -1.083
  207   2HD2  LEU  26          2HD2      LEU  26 -20.521  -7.445  -0.097
  208   3HD2  LEU  26          3HD2      LEU  26 -20.819  -9.180   0.167
  209    H    LYS  27           H        LYS  27 -23.353 -11.085  -1.691
  210    HA   LYS  27           HA       LYS  27 -23.706 -11.548  -4.562
  211   1HB   LYS  27          1HB       LYS  27 -21.194 -11.696  -2.954
  212   2HB   LYS  27          2HB       LYS  27 -21.454 -12.935  -4.164
  213   1HG   LYS  27          1HG       LYS  27 -20.715 -11.460  -5.721
  214   2HG   LYS  27          2HG       LYS  27 -22.193 -10.552  -5.476
  215   1HD   LYS  27          1HD       LYS  27 -21.144  -8.909  -4.260
  216   2HD   LYS  27          2HD       LYS  27 -20.133 -10.050  -3.395
  217   1HE   LYS  27          1HE       LYS  27 -19.246 -10.146  -6.104
  218   2HE   LYS  27          2HE       LYS  27 -19.488  -8.447  -5.749
  219   1HZ   LYS  27          1HZ       LYS  27 -18.263  -9.515  -3.546
  220   2HZ   LYS  27          2HZ       LYS  27 -17.470 -10.153  -4.823
  221   3HZ   LYS  27          3HZ       LYS  27 -17.591  -8.532  -4.664
  222    H    ARG  28           H        ARG  28 -25.699 -12.616  -3.898
  223    HA   ARG  28           HA       ARG  28 -25.360 -14.882  -2.178
  224   1HB   ARG  28          1HB       ARG  28 -27.824 -15.134  -2.434
  225   2HB   ARG  28          2HB       ARG  28 -27.408 -13.490  -1.993
  226   1HG   ARG  28          1HG       ARG  28 -27.645 -12.736  -4.314
  227   2HG   ARG  28          2HG       ARG  28 -27.846 -14.383  -4.879
  228   1HD   ARG  28          1HD       ARG  28 -29.783 -13.805  -2.763
  229   2HD   ARG  28          2HD       ARG  28 -29.892 -12.596  -4.027
  230    HE   ARG  28           HE       ARG  28 -29.802 -14.896  -5.501
  231   1HH1  ARG  28          1HH1      ARG  28 -32.977 -16.278  -5.068
  232   2HH1  ARG  28          2HH1      ARG  28 -31.570 -16.224  -6.077
  233   1HH2  ARG  28          1HH2      ARG  28 -33.066 -15.001  -3.132
  234   2HH2  ARG  28          2HH2      ARG  28 -31.726 -13.995  -2.696
  235    H    THR  29           H        THR  29 -26.327 -17.070  -2.928
  236    HA   THR  29           HA       THR  29 -25.922 -18.824  -4.277
  237    HB   THR  29           HB       THR  29 -27.490 -16.902  -6.075
  238    HG1  THR  29           1HG      THR  29 -28.189 -17.679  -3.812
  239   1HG2  THR  29          1HG2      THR  29 -26.420 -19.125  -7.108
  240   2HG2  THR  29          2HG2      THR  29 -27.688 -19.925  -6.149
  241   3HG2  THR  29          3HG2      THR  29 -28.134 -18.744  -7.403
  242    HA   PRO  30           HA       PRO  30 -22.337 -17.087  -6.409
  243   1HB   PRO  30          1HB       PRO  30 -20.385 -18.311  -4.939
  244   2HB   PRO  30          2HB       PRO  30 -20.945 -16.682  -4.620
  245   1HG   PRO  30          1HG       PRO  30 -21.520 -19.165  -3.123
  246   2HG   PRO  30          2HG       PRO  30 -21.705 -17.502  -2.603
  247   1HD   PRO  30          1HD       PRO  30 -23.795 -19.283  -3.431
  248   2HD   PRO  30          2HD       PRO  30 -23.964 -17.587  -3.022
  249    H    ARG  31           H        ARG  31 -21.554 -17.919  -8.260
  250    HA   ARG  31           HA       ARG  31 -21.882 -20.803  -8.383
  251   1HB   ARG  31          1HB       ARG  31 -23.012 -18.983 -10.029
  252   2HB   ARG  31          2HB       ARG  31 -21.473 -19.116 -10.857
  253   1HG   ARG  31          1HG       ARG  31 -22.112 -21.788 -10.379
  254   2HG   ARG  31          2HG       ARG  31 -23.689 -21.080 -10.670
  255   1HD   ARG  31          1HD       ARG  31 -23.270 -20.820 -12.899
  256   2HD   ARG  31          2HD       ARG  31 -21.711 -20.078 -12.601
  257    HE   ARG  31           HE       ARG  31 -21.178 -22.703 -12.037
  258   1HH1  ARG  31          1HH1      ARG  31 -21.030 -24.196 -15.188
  259   2HH1  ARG  31          2HH1      ARG  31 -20.551 -24.318 -13.527
  260   1HH2  ARG  31          1HH2      ARG  31 -22.307 -22.393 -15.898
  261   2HH2  ARG  31          2HH2      ARG  31 -22.782 -21.169 -14.767
  262    H    ARG  32           H        ARG  32 -20.003 -21.996  -8.350
  263    HA   ARG  32           HA       ARG  32 -17.741 -20.955  -9.774
  264   1HB   ARG  32          1HB       ARG  32 -17.887 -20.580  -6.991
  265   2HB   ARG  32          2HB       ARG  32 -16.912 -22.028  -7.142
  266   1HG   ARG  32          1HG       ARG  32 -15.194 -20.930  -8.303
  267   2HG   ARG  32          2HG       ARG  32 -16.267 -19.709  -8.959
  268   1HD   ARG  32          1HD       ARG  32 -16.419 -18.570  -6.803
  269   2HD   ARG  32          2HD       ARG  32 -15.594 -19.883  -5.986
  270    HE   ARG  32           HE       ARG  32 -14.058 -18.643  -8.176
  271   1HH1  ARG  32          1HH1      ARG  32 -11.760 -17.251  -5.948
  272   2HH1  ARG  32          2HH1      ARG  32 -12.109 -17.593  -7.610
  273   1HH2  ARG  32          1HH2      ARG  32 -13.272 -17.861  -4.296
  274   2HH2  ARG  32          2HH2      ARG  32 -14.749 -18.657  -4.725
  Start of MODEL    2
    1    H    THR   1           H        THR   1 -27.159  26.412   7.076
    2    HA   THR   1           HA       THR   1 -25.462  24.417   5.844
    3    HB   THR   1           HB       THR   1 -25.463  25.911   8.516
    4    HG1  THR   1           1HG      THR   1 -24.771  27.252   6.829
    5   1HG2  THR   1          1HG2      THR   1 -23.033  24.516   7.410
    6   2HG2  THR   1          2HG2      THR   1 -23.460  24.865   9.103
    7   3HG2  THR   1          3HG2      THR   1 -24.231  23.504   8.252
    8    H    SER   2           H        SER   2 -27.527  24.629   8.820
    9    HA   SER   2           HA       SER   2 -27.357  21.763   9.002
   10   1HB   SER   2          1HB       SER   2 -27.157  23.245  11.028
   11   2HB   SER   2          2HB       SER   2 -28.815  23.759  10.790
   12    HG   SER   2           HG       SER   2 -28.452  20.964  10.841
   13    H    SER   3           H        SER   3 -28.923  23.503   6.887
   14    HA   SER   3           HA       SER   3 -31.554  22.385   7.421
   15   1HB   SER   3          1HB       SER   3 -31.236  24.890   6.936
   16   2HB   SER   3          2HB       SER   3 -30.815  24.438   5.296
   17    HG   SER   3           HG       SER   3 -33.183  24.980   5.911
   18    H    ILE   4           H        ILE   4 -28.725  22.307   5.296
   19    HA   ILE   4           HA       ILE   4 -30.050  20.911   3.182
   20    HB   ILE   4           HB       ILE   4 -27.163  21.513   3.807
   21   1HG1  ILE   4          1HG1      ILE   4 -28.538  23.446   3.200
   22   2HG1  ILE   4          2HG1      ILE   4 -27.342  23.092   1.969
   23   1HG2  ILE   4          1HG2      ILE   4 -28.370  19.802   1.668
   24   2HG2  ILE   4          2HG2      ILE   4 -26.959  20.815   1.278
   25   3HG2  ILE   4          3HG2      ILE   4 -26.852  19.603   2.577
   26   1HD1  ILE   4          1HD1      ILE   4 -30.278  23.050   1.784
   27   2HD1  ILE   4          2HD1      ILE   4 -29.063  23.129   0.485
   28   3HD1  ILE   4          3HD1      ILE   4 -29.539  21.553   1.164
   29    H    VAL   5           H        VAL   5 -27.484  19.975   5.588
   30    HA   VAL   5           HA       VAL   5 -27.324  17.345   5.095
   31    HB   VAL   5           HB       VAL   5 -27.387  18.802   7.739
   32   1HG1  VAL   5          1HG1      VAL   5 -27.214  16.870   8.837
   33   2HG1  VAL   5          2HG1      VAL   5 -27.445  15.988   7.309
   34   3HG1  VAL   5          3HG1      VAL   5 -25.804  16.414   7.851
   35   1HG2  VAL   5          1HG2      VAL   5 -25.061  19.007   7.543
   36   2HG2  VAL   5          2HG2      VAL   5 -24.958  17.747   6.291
   37   3HG2  VAL   5          3HG2      VAL   5 -25.653  19.337   5.897
   38    H    HIS   6           H        HIS   6 -29.711  18.801   7.425
   39    HA   HIS   6           HA       HIS   6 -31.072  16.610   8.117
   40   1HB   HIS   6          1HB       HIS   6 -31.592  18.763   9.028
   41   2HB   HIS   6          2HB       HIS   6 -32.111  19.375   7.470
   42    HD1  HIS   6           1HD      HIS   6 -34.586  19.627   7.443
   43    HD2  HIS   6           2HD      HIS   6 -33.385  16.220   9.574
   44    HE1  HIS   6           1HE      HIS   6 -36.728  18.485   8.231
   45    HE2  HIS   6           2HE      HIS   6 -35.927  16.370   9.488
   46    H    LEU   7           H        LEU   7 -31.924  18.640   5.218
   47    HA   LEU   7           HA       LEU   7 -33.885  17.032   4.215
   48   1HB   LEU   7          1HB       LEU   7 -32.868  19.341   3.488
   49   2HB   LEU   7          2HB       LEU   7 -31.937  18.359   2.375
   50    HG   LEU   7           HG       LEU   7 -34.855  17.831   2.403
   51   1HD1  LEU   7          1HD1      LEU   7 -34.538  20.372   2.668
   52   2HD1  LEU   7          2HD1      LEU   7 -33.909  20.325   1.003
   53   3HD1  LEU   7          3HD1      LEU   7 -35.569  19.781   1.343
   54   1HD2  LEU   7          1HD2      LEU   7 -33.018  16.847   0.870
   55   2HD2  LEU   7          2HD2      LEU   7 -34.559  17.365   0.146
   56   3HD2  LEU   7          3HD2      LEU   7 -33.120  18.404   0.013
   57    H    CYS   8           H        CYS   8 -30.380  16.939   3.242
   58    HA   CYS   8           HA       CYS   8 -30.463  14.804   1.611
   59   1HB   CYS   8          1HB       CYS   8 -28.410  16.057   3.309
   60   2HB   CYS   8          2HB       CYS   8 -28.093  14.368   2.963
   61    HG   CYS   8           HG       CYS   8 -26.907  15.143   1.008
   62    H    ALA   9           H        ALA   9 -30.857  14.933   5.135
   63    HA   ALA   9           HA       ALA   9 -30.526  12.091   5.460
   64   1HB   ALA   9          1HB       ALA   9 -30.472  14.420   7.096
   65   2HB   ALA   9          2HB       ALA   9 -31.806  13.402   7.689
   66   3HB   ALA   9          3HB       ALA   9 -30.159  12.736   7.579
   67    H    ILE  10           H        ILE  10 -32.282  12.143   3.490
   68    HA   ILE  10           HA       ILE  10 -34.714  11.280   4.782
   69    HB   ILE  10           HB       ILE  10 -34.677  13.560   2.806
   70   1HG1  ILE  10          1HG1      ILE  10 -35.535  13.335   5.700
   71   2HG1  ILE  10          2HG1      ILE  10 -34.264  14.341   5.033
   72   1HG2  ILE  10          1HG2      ILE  10 -36.434  12.072   2.137
   73   2HG2  ILE  10          2HG2      ILE  10 -36.997  11.897   3.816
   74   3HG2  ILE  10          3HG2      ILE  10 -37.163  13.460   2.980
   75   1HD1  ILE  10          1HD1      ILE  10 -37.222  14.749   5.004
   76   2HD1  ILE  10          2HD1      ILE  10 -35.908  15.948   5.074
   77   3HD1  ILE  10          3HD1      ILE  10 -36.361  15.213   3.517
   78    H    SER  11           H        SER  11 -33.243  12.091   1.556
   79    HA   SER  11           HA       SER  11 -34.517   9.907   0.336
   80   1HB   SER  11          1HB       SER  11 -33.118  12.189  -0.503
   81   2HB   SER  11          2HB       SER  11 -32.080  10.872  -1.010
   82    HG   SER  11           HG       SER  11 -33.790   9.966  -2.222
   83    H    LEU  12           H        LEU  12 -31.240  10.525   1.705
   84    HA   LEU  12           HA       LEU  12 -30.088   8.128   0.810
   85   1HB   LEU  12          1HB       LEU  12 -28.627   9.829   1.408
   86   2HB   LEU  12          2HB       LEU  12 -29.449  10.156   2.921
   87    HG   LEU  12           HG       LEU  12 -28.648   7.829   3.672
   88   1HD1  LEU  12          1HD1      LEU  12 -27.480   6.555   2.287
   89   2HD1  LEU  12          2HD1      LEU  12 -27.690   7.774   1.007
   90   3HD1  LEU  12          3HD1      LEU  12 -26.269   7.843   2.077
   91   1HD2  LEU  12          1HD2      LEU  12 -27.727  10.212   4.233
   92   2HD2  LEU  12          2HD2      LEU  12 -26.802   8.760   4.688
   93   3HD2  LEU  12          3HD2      LEU  12 -26.339   9.695   3.245
   94    H    ASP  13           H        ASP  13 -31.700   9.059   3.918
   95    HA   ASP  13           HA       ASP  13 -31.304   6.848   5.346
   96   1HB   ASP  13          1HB       ASP  13 -32.984   9.032   5.506
   97   2HB   ASP  13          2HB       ASP  13 -34.153   7.745   5.290
   98    H    ARG  14           H        ARG  14 -33.911   7.405   2.867
   99    HA   ARG  14           HA       ARG  14 -35.236   5.070   3.110
  100   1HB   ARG  14          1HB       ARG  14 -35.648   7.127   1.545
  101   2HB   ARG  14          2HB       ARG  14 -34.623   6.300   0.388
  102   1HG   ARG  14          1HG       ARG  14 -36.170   4.248   0.689
  103   2HG   ARG  14          2HG       ARG  14 -37.260   5.313   1.557
  104   1HD   ARG  14          1HD       ARG  14 -36.284   6.307  -1.103
  105   2HD   ARG  14          2HD       ARG  14 -37.378   4.939  -1.145
  106    HE   ARG  14           HE       ARG  14 -39.121   6.302  -0.313
  107   1HH1  ARG  14          1HH1      ARG  14 -39.081   9.724   0.370
  108   2HH1  ARG  14          2HH1      ARG  14 -40.078   8.325   0.149
  109   1HH2  ARG  14          1HH2      ARG  14 -36.773   9.543   0.198
  110   2HH2  ARG  14          2HH2      ARG  14 -36.048   8.010  -0.152
  111    H    TYR  15           H        TYR  15 -32.239   5.782   1.222
  112    HA   TYR  15           HA       TYR  15 -32.040   2.929   0.569
  113   1HB   TYR  15          1HB       TYR  15 -30.326   5.282  -0.394
  114   2HB   TYR  15          2HB       TYR  15 -30.590   3.762  -1.223
  115    HD1  TYR  15           1HD      TYR  15 -31.252   7.085  -1.505
  116    HD2  TYR  15           2HD      TYR  15 -33.365   3.365  -1.510
  117    HE1  TYR  15           1HE      TYR  15 -33.126   8.143  -2.860
  118    HE2  TYR  15           2HE      TYR  15 -35.232   4.436  -2.864
  119    HH   TYR  15           HH       TYR  15 -36.027   7.097  -3.042
  120    H    TRP  16           H        TRP  16 -31.547   3.693   3.281
  121    HA   TRP  16           HA       TRP  16 -28.617   3.448   3.376
  122   1HB   TRP  16          1HB       TRP  16 -28.978   5.465   4.402
  123   2HB   TRP  16          2HB       TRP  16 -30.547   5.005   5.033
  124    HD1  TRP  16           HD       TRP  16 -30.579   4.236   7.552
  125    HE1  TRP  16           1HE      TRP  16 -28.829   3.700   9.453
  126    HE3  TRP  16           3HE      TRP  16 -26.477   4.411   4.551
  127    HZ2  TRP  16           2HZ      TRP  16 -25.989   3.415   9.487
  128    HZ3  TRP  16           3HZ      TRP  16 -24.254   3.992   5.598
  129    HH2  TRP  16           HH       TRP  16 -23.972   3.508   7.977
  130    H    SER  17           H        SER  17 -31.581   2.796   5.394
  131    HA   SER  17           HA       SER  17 -30.667   0.860   6.942
  132   1HB   SER  17          1HB       SER  17 -33.186   1.805   6.200
  133   2HB   SER  17          2HB       SER  17 -33.279   0.107   5.780
  134    HG   SER  17           HG       SER  17 -32.456  -0.336   8.009
  135    H    ILE  18           H        ILE  18 -32.030   0.328   3.609
  136    HA   ILE  18           HA       ILE  18 -31.729  -2.377   3.459
  137    HB   ILE  18           HB       ILE  18 -31.362  -0.283   1.314
  138   1HG1  ILE  18          1HG1      ILE  18 -33.841  -1.914   1.602
  139   2HG1  ILE  18          2HG1      ILE  18 -33.573  -0.656   2.792
  140   1HG2  ILE  18          1HG2      ILE  18 -32.251  -3.056   0.675
  141   2HG2  ILE  18          2HG2      ILE  18 -31.351  -1.878  -0.310
  142   3HG2  ILE  18          3HG2      ILE  18 -30.519  -2.783   0.978
  143   1HD1  ILE  18          1HD1      ILE  18 -34.337  -0.409  -0.026
  144   2HD1  ILE  18          2HD1      ILE  18 -34.410   0.806   1.273
  145   3HD1  ILE  18          3HD1      ILE  18 -32.905   0.579   0.351
  146    H    THR  19           H        THR  19 -29.273   0.142   2.550
  147    HA   THR  19           HA       THR  19 -27.249  -1.619   1.864
  148    HB   THR  19           HB       THR  19 -27.247   1.200   3.058
  149    HG1  THR  19           1HG      THR  19 -27.036  -0.097   0.435
  150   1HG2  THR  19          1HG2      THR  19 -24.995  -0.453   2.847
  151   2HG2  THR  19          2HG2      THR  19 -25.026   0.381   1.275
  152   3HG2  THR  19          3HG2      THR  19 -24.969   1.326   2.783
  153    H    GLN  20           H        GLN  20 -28.283  -0.442   5.088
  154    HA   GLN  20           HA       GLN  20 -26.047  -1.671   6.336
  155   1HB   GLN  20          1HB       GLN  20 -27.262   0.376   7.206
  156   2HB   GLN  20          2HB       GLN  20 -28.628  -0.649   7.600
  157   1HG   GLN  20          1HG       GLN  20 -26.304  -1.931   8.689
  158   2HG   GLN  20          2HG       GLN  20 -26.179  -0.233   9.105
  159   1HE2  GLN  20          1HE2      GLN  20 -26.526  -2.174  11.008
  160   2HE2  GLN  20          2HE2      GLN  20 -28.084  -2.034  11.753
  161    H    ALA  21           H        ALA  21 -26.867  -3.717   4.889
  162    HA   ALA  21           HA       ALA  21 -27.663  -5.640   6.788
  163   1HB   ALA  21          1HB       ALA  21 -29.877  -5.948   6.387
  164   2HB   ALA  21          2HB       ALA  21 -29.828  -4.267   5.805
  165   3HB   ALA  21          3HB       ALA  21 -29.709  -5.613   4.647
  166    H    ILE  22           H        ILE  22 -27.954  -4.949   3.225
  167    HA   ILE  22           HA       ILE  22 -27.160  -7.506   2.447
  168    HB   ILE  22           HB       ILE  22 -27.150  -4.833   1.058
  169   1HG1  ILE  22          1HG1      ILE  22 -28.971  -7.235   0.735
  170   2HG1  ILE  22          2HG1      ILE  22 -29.335  -5.851   1.746
  171   1HG2  ILE  22          1HG2      ILE  22 -25.797  -7.245   0.258
  172   2HG2  ILE  22          2HG2      ILE  22 -27.133  -6.894  -0.864
  173   3HG2  ILE  22          3HG2      ILE  22 -25.881  -5.666  -0.559
  174   1HD1  ILE  22          1HD1      ILE  22 -28.563  -4.721  -0.725
  175   2HD1  ILE  22          2HD1      ILE  22 -29.567  -6.126  -1.154
  176   3HD1  ILE  22          3HD1      ILE  22 -30.219  -4.858  -0.089
  177    H    GLU  23           H        GLU  23 -25.171  -4.576   1.740
  178    HA   GLU  23           HA       GLU  23 -22.836  -6.010   1.590
  179   1HB   GLU  23          1HB       GLU  23 -23.474  -3.547   0.868
  180   2HB   GLU  23          2HB       GLU  23 -22.856  -3.107   2.448
  181   1HG   GLU  23          1HG       GLU  23 -20.661  -3.898   1.954
  182   2HG   GLU  23          2HG       GLU  23 -21.214  -4.888   0.618
  183    H    TYR  24           H        TYR  24 -24.617  -4.804   4.376
  184    HA   TYR  24           HA       TYR  24 -22.584  -4.547   6.235
  185   1HB   TYR  24          1HB       TYR  24 -24.968  -3.916   6.579
  186   2HB   TYR  24          2HB       TYR  24 -25.487  -5.566   6.300
  187    HD1  TYR  24           1HD      TYR  24 -25.632  -7.123   8.086
  188    HD2  TYR  24           2HD      TYR  24 -23.620  -3.395   8.681
  189    HE1  TYR  24           1HE      TYR  24 -25.525  -7.572  10.586
  190    HE2  TYR  24           2HE      TYR  24 -23.520  -3.856  11.179
  191    HH   TYR  24           HH       TYR  24 -23.551  -6.300  12.560
  192    H    ASN  25           H        ASN  25 -24.356  -7.471   5.088
  193    HA   ASN  25           HA       ASN  25 -22.360  -9.017   6.544
  194   1HB   ASN  25          1HB       ASN  25 -24.965  -9.027   7.282
  195   2HB   ASN  25          2HB       ASN  25 -25.092 -10.186   5.974
  196   1HD2  ASN  25          1HD2      ASN  25 -23.211  -9.392   8.873
  197   2HD2  ASN  25          2HD2      ASN  25 -22.861 -11.015   9.368
  198    H    LEU  26           H        LEU  26 -21.583  -8.409   4.081
  199    HA   LEU  26           HA       LEU  26 -22.751 -10.252   2.162
  200   1HB   LEU  26          1HB       LEU  26 -21.815  -7.692   1.959
  201   2HB   LEU  26          2HB       LEU  26 -20.437  -8.611   1.386
  202    HG   LEU  26           HG       LEU  26 -22.096  -7.798  -0.358
  203   1HD1  LEU  26          1HD1      LEU  26 -21.930  -9.863  -1.696
  204   2HD1  LEU  26          2HD1      LEU  26 -20.403  -9.454  -0.877
  205   3HD1  LEU  26          3HD1      LEU  26 -21.437 -10.754  -0.236
  206   1HD2  LEU  26          1HD2      LEU  26 -23.784 -10.162   0.437
  207   2HD2  LEU  26          2HD2      LEU  26 -24.085  -8.540   1.106
  208   3HD2  LEU  26          3HD2      LEU  26 -24.174  -8.809  -0.651
  209    H    LYS  27           H        LYS  27 -19.328  -9.347   2.973
  210    HA   LYS  27           HA       LYS  27 -18.657 -12.167   2.601
  211   1HB   LYS  27          1HB       LYS  27 -17.416  -9.671   1.868
  212   2HB   LYS  27          2HB       LYS  27 -16.327 -10.578   2.899
  213   1HG   LYS  27          1HG       LYS  27 -16.830 -12.629   1.414
  214   2HG   LYS  27          2HG       LYS  27 -17.635 -11.529   0.313
  215   1HD   LYS  27          1HD       LYS  27 -15.253 -10.196   0.708
  216   2HD   LYS  27          2HD       LYS  27 -14.722 -11.858   0.874
  217   1HE   LYS  27          1HE       LYS  27 -15.179 -12.381  -1.341
  218   2HE   LYS  27          2HE       LYS  27 -16.560 -11.306  -1.428
  219   1HZ   LYS  27          1HZ       LYS  27 -14.771 -10.439  -2.710
  220   2HZ   LYS  27          2HZ       LYS  27 -14.999  -9.449  -1.431
  221   3HZ   LYS  27          3HZ       LYS  27 -13.739 -10.487  -1.445
  222    H    ARG  28           H        ARG  28 -19.932 -12.293   4.807
  223    HA   ARG  28           HA       ARG  28 -17.852 -12.285   6.805
  224   1HB   ARG  28          1HB       ARG  28 -19.653 -10.232   6.849
  225   2HB   ARG  28          2HB       ARG  28 -20.575 -11.421   7.749
  226   1HG   ARG  28          1HG       ARG  28 -17.672 -10.882   8.462
  227   2HG   ARG  28          2HG       ARG  28 -18.935  -9.815   9.045
  228   1HD   ARG  28          1HD       ARG  28 -19.897 -12.447   9.544
  229   2HD   ARG  28          2HD       ARG  28 -18.203 -12.487   9.989
  230    HE   ARG  28           HE       ARG  28 -20.325 -10.946  11.308
  231   1HH1  ARG  28          1HH1      ARG  28 -18.118  -9.595  13.650
  232   2HH1  ARG  28          2HH1      ARG  28 -19.781  -9.829  13.226
  233   1HH2  ARG  28          1HH2      ARG  28 -16.443 -10.416  12.270
  234   2HH2  ARG  28          2HH2      ARG  28 -16.855 -11.262  10.817
  235    H    THR  29           H        THR  29 -18.041 -14.047   8.277
  236    HA   THR  29           HA       THR  29 -20.436 -15.725   7.933
  237    HB   THR  29           HB       THR  29 -18.494 -16.621   6.626
  238    HG1  THR  29           1HG      THR  29 -19.308 -18.515   7.427
  239   1HG2  THR  29          1HG2      THR  29 -17.010 -17.493   9.022
  240   2HG2  THR  29          2HG2      THR  29 -16.383 -16.809   7.503
  241   3HG2  THR  29          3HG2      THR  29 -16.938 -15.728   8.803
  242    HA   PRO  30           HA       PRO  30 -19.998 -14.850  12.280
  243   1HB   PRO  30          1HB       PRO  30 -22.648 -14.414  12.785
  244   2HB   PRO  30          2HB       PRO  30 -21.526 -13.130  12.383
  245   1HG   PRO  30          1HG       PRO  30 -23.606 -14.371  10.688
  246   2HG   PRO  30          2HG       PRO  30 -22.781 -12.840  10.470
  247   1HD   PRO  30          1HD       PRO  30 -22.275 -15.280   9.048
  248   2HD   PRO  30          2HD       PRO  30 -21.375 -13.782   8.914
  249    H    ARG  31           H        ARG  31 -21.384 -15.777  14.251
  250    HA   ARG  31           HA       ARG  31 -21.388 -18.586  13.613
  251   1HB   ARG  31          1HB       ARG  31 -20.143 -17.644  15.631
  252   2HB   ARG  31          2HB       ARG  31 -21.691 -17.220  16.334
  253   1HG   ARG  31          1HG       ARG  31 -22.271 -19.783  15.870
  254   2HG   ARG  31          2HG       ARG  31 -20.529 -19.969  15.830
  255   1HD   ARG  31          1HD       ARG  31 -21.003 -18.362  18.111
  256   2HD   ARG  31          2HD       ARG  31 -22.297 -19.544  18.140
  257    HE   ARG  31           HE       ARG  31 -20.727 -21.235  18.568
  258   1HH1  ARG  31          1HH1      ARG  31 -17.243 -21.091  18.709
  259   2HH1  ARG  31          2HH1      ARG  31 -18.645 -22.056  19.031
  260   1HH2  ARG  31          1HH2      ARG  31 -17.479 -18.966  17.807
  261   2HH2  ARG  31          2HH2      ARG  31 -19.057 -18.344  17.456
  262    H    ARG  32           H        ARG  32 -23.370 -19.221  12.751
  263    HA   ARG  32           HA       ARG  32 -25.746 -18.007  13.786
  264   1HB   ARG  32          1HB       ARG  32 -26.896 -19.244  11.992
  265   2HB   ARG  32          2HB       ARG  32 -25.469 -18.468  11.335
  266   1HG   ARG  32          1HG       ARG  32 -24.290 -20.782  11.938
  267   2HG   ARG  32          2HG       ARG  32 -25.930 -21.401  11.920
  268   1HD   ARG  32          1HD       ARG  32 -25.756 -19.804   9.586
  269   2HD   ARG  32          2HD       ARG  32 -24.214 -20.633   9.662
  270    HE   ARG  32           HE       ARG  32 -26.046 -22.646  10.201
  271   1HH1  ARG  32          1HH1      ARG  32 -27.157 -23.443   6.990
  272   2HH1  ARG  32          2HH1      ARG  32 -27.001 -23.996   8.624
  273   1HH2  ARG  32          1HH2      ARG  32 -26.394 -21.331   6.403
  274   2HH2  ARG  32          2HH2      ARG  32 -25.670 -20.308   7.599
  Start of MODEL    3
    1    H    THR   1           H        THR   1 -31.154  26.918   3.628
    2    HA   THR   1           HA       THR   1 -28.383  25.959   3.366
    3    HB   THR   1           HB       THR   1 -29.568  28.059   5.247
    4    HG1  THR   1           1HG      THR   1 -28.425  29.270   3.789
    5   1HG2  THR   1          1HG2      THR   1 -27.966  27.542   6.790
    6   2HG2  THR   1          2HG2      THR   1 -27.457  26.150   5.804
    7   3HG2  THR   1          3HG2      THR   1 -26.720  27.748   5.536
    8    H    SER   2           H        SER   2 -31.177  26.249   5.666
    9    HA   SER   2           HA       SER   2 -30.321  23.732   6.792
   10   1HB   SER   2          1HB       SER   2 -31.253  25.993   7.989
   11   2HB   SER   2          2HB       SER   2 -32.768  25.133   7.804
   12    HG   SER   2           HG       SER   2 -31.832  23.318   8.942
   13    H    SER   3           H        SER   3 -31.796  24.361   4.056
   14    HA   SER   3           HA       SER   3 -34.111  22.672   4.541
   15   1HB   SER   3          1HB       SER   3 -34.135  25.012   3.288
   16   2HB   SER   3          2HB       SER   3 -33.562  24.078   1.920
   17    HG   SER   3           HG       SER   3 -35.954  23.467   3.439
   18    H    ILE   4           H        ILE   4 -30.941  22.869   3.012
   19    HA   ILE   4           HA       ILE   4 -31.435  20.588   1.310
   20    HB   ILE   4           HB       ILE   4 -29.018  22.312   1.839
   21   1HG1  ILE   4          1HG1      ILE   4 -30.885  23.351   0.582
   22   2HG1  ILE   4          2HG1      ILE   4 -29.411  23.204  -0.355
   23   1HG2  ILE   4          1HG2      ILE   4 -28.828  20.636  -0.517
   24   2HG2  ILE   4          2HG2      ILE   4 -27.677  20.863   0.821
   25   3HG2  ILE   4          3HG2      ILE   4 -28.979  19.658   0.962
   26   1HD1  ILE   4          1HD1      ILE   4 -31.968  22.261  -1.080
   27   2HD1  ILE   4          2HD1      ILE   4 -30.431  21.897  -1.901
   28   3HD1  ILE   4          3HD1      ILE   4 -31.051  20.798  -0.645
   29    H    VAL   5           H        VAL   5 -29.124  21.379   4.008
   30    HA   VAL   5           HA       VAL   5 -28.084  18.930   4.420
   31    HB   VAL   5           HB       VAL   5 -28.927  21.042   6.406
   32   1HG1  VAL   5          1HG1      VAL   5 -27.576  20.015   8.077
   33   2HG1  VAL   5          2HG1      VAL   5 -28.639  18.740   7.434
   34   3HG1  VAL   5          3HG1      VAL   5 -26.935  18.818   6.925
   35   1HG2  VAL   5          1HG2      VAL   5 -26.537  20.560   4.687
   36   2HG2  VAL   5          2HG2      VAL   5 -27.303  22.086   5.187
   37   3HG2  VAL   5          3HG2      VAL   5 -26.254  21.203   6.322
   38    H    HIS   6           H        HIS   6 -31.054  20.168   6.124
   39    HA   HIS   6           HA       HIS   6 -31.752  17.947   7.447
   40   1HB   HIS   6          1HB       HIS   6 -32.889  20.313   7.117
   41   2HB   HIS   6          2HB       HIS   6 -33.901  19.439   5.984
   42    HD1  HIS   6           1HD      HIS   6 -33.536  20.179   9.546
   43    HD2  HIS   6           2HD      HIS   6 -35.288  17.136   7.250
   44    HE1  HIS   6           1HE      HIS   6 -35.155  18.958  11.094
   45    HE2  HIS   6           2HE      HIS   6 -36.242  17.135   9.613
   46    H    LEU   7           H        LEU   7 -32.504  18.663   3.976
   47    HA   LEU   7           HA       LEU   7 -33.957  16.368   3.468
   48   1HB   LEU   7          1HB       LEU   7 -33.165  18.579   2.077
   49   2HB   LEU   7          2HB       LEU   7 -32.217  17.329   1.298
   50    HG   LEU   7           HG       LEU   7 -35.085  16.687   1.690
   51   1HD1  LEU   7          1HD1      LEU   7 -35.094  19.132   1.124
   52   2HD1  LEU   7          2HD1      LEU   7 -34.300  18.716  -0.414
   53   3HD1  LEU   7          3HD1      LEU   7 -35.924  18.084  -0.051
   54   1HD2  LEU   7          1HD2      LEU   7 -34.717  16.018  -0.778
   55   2HD2  LEU   7          2HD2      LEU   7 -32.991  16.289  -0.436
   56   3HD2  LEU   7          3HD2      LEU   7 -33.903  15.078   0.496
   57    H    CYS   8           H        CYS   8 -30.453  16.930   2.659
   58    HA   CYS   8           HA       CYS   8 -29.888  14.352   1.972
   59   1HB   CYS   8          1HB       CYS   8 -28.328  16.713   2.815
   60   2HB   CYS   8          2HB       CYS   8 -27.526  15.183   3.109
   61    HG   CYS   8           HG       CYS   8 -27.187  16.638   0.668
   62    H    ALA   9           H        ALA   9 -30.579  15.779   5.107
   63    HA   ALA   9           HA       ALA   9 -29.245  13.855   6.697
   64   1HB   ALA   9          1HB       ALA   9 -30.654  16.275   7.047
   65   2HB   ALA   9          2HB       ALA   9 -31.585  15.052   7.944
   66   3HB   ALA   9          3HB       ALA   9 -29.860  15.300   8.307
   67    H    ILE  10           H        ILE  10 -32.479  14.114   5.172
   68    HA   ILE  10           HA       ILE  10 -33.390  11.732   6.518
   69    HB   ILE  10           HB       ILE  10 -34.636  13.474   4.390
   70   1HG1  ILE  10          1HG1      ILE  10 -34.199  14.482   6.682
   71   2HG1  ILE  10          2HG1      ILE  10 -35.850  14.538   6.096
   72   1HG2  ILE  10          1HG2      ILE  10 -36.558  11.952   5.845
   73   2HG2  ILE  10          2HG2      ILE  10 -36.197  11.928   4.103
   74   3HG2  ILE  10          3HG2      ILE  10 -35.327  10.836   5.207
   75   1HD1  ILE  10          1HD1      ILE  10 -35.077  12.119   7.696
   76   2HD1  ILE  10          2HD1      ILE  10 -35.232  13.660   8.572
   77   3HD1  ILE  10          3HD1      ILE  10 -36.616  13.012   7.659
   78    H    SER  11           H        SER  11 -32.644  12.758   3.115
   79    HA   SER  11           HA       SER  11 -33.110  10.451   1.852
   80   1HB   SER  11          1HB       SER  11 -30.858  12.459   1.464
   81   2HB   SER  11          2HB       SER  11 -31.113  11.133   0.347
   82    HG   SER  11           HG       SER  11 -32.232  13.410   0.070
   83    H    LEU  12           H        LEU  12 -30.210  11.316   3.814
   84    HA   LEU  12           HA       LEU  12 -28.615   9.160   3.191
   85   1HB   LEU  12          1HB       LEU  12 -27.634  10.890   4.372
   86   2HB   LEU  12          2HB       LEU  12 -28.909  10.946   5.574
   87    HG   LEU  12           HG       LEU  12 -28.106   8.764   6.480
   88   1HD1  LEU  12          1HD1      LEU  12 -26.021   9.116   4.334
   89   2HD1  LEU  12          2HD1      LEU  12 -25.695   8.172   5.808
   90   3HD1  LEU  12          3HD1      LEU  12 -27.017   7.691   4.716
   91   1HD2  LEU  12          1HD2      LEU  12 -27.095  11.327   6.869
   92   2HD2  LEU  12          2HD2      LEU  12 -26.897   9.922   7.944
   93   3HD2  LEU  12          3HD2      LEU  12 -25.649  10.298   6.731
   94    H    ASP  13           H        ASP  13 -30.847   9.459   6.051
   95    HA   ASP  13           HA       ASP  13 -30.610   7.051   7.090
   96   1HB   ASP  13          1HB       ASP  13 -32.352   9.053   7.466
   97   2HB   ASP  13          2HB       ASP  13 -33.425   8.015   6.548
   98    H    ARG  14           H        ARG  14 -32.780   7.929   4.299
   99    HA   ARG  14           HA       ARG  14 -34.042   5.669   3.825
  100   1HB   ARG  14          1HB       ARG  14 -33.534   7.965   2.372
  101   2HB   ARG  14          2HB       ARG  14 -32.741   6.769   1.367
  102   1HG   ARG  14          1HG       ARG  14 -35.007   5.401   1.737
  103   2HG   ARG  14          2HG       ARG  14 -35.665   6.982   2.110
  104   1HD   ARG  14          1HD       ARG  14 -33.975   6.872  -0.354
  105   2HD   ARG  14          2HD       ARG  14 -35.467   5.957  -0.439
  106    HE   ARG  14           HE       ARG  14 -36.340   8.338   0.603
  107   1HH1  ARG  14          1HH1      ARG  14 -36.309  10.476  -2.155
  108   2HH1  ARG  14          2HH1      ARG  14 -36.972  10.187  -0.581
  109   1HH2  ARG  14          1HH2      ARG  14 -34.779   8.984  -3.061
  110   2HH2  ARG  14          2HH2      ARG  14 -34.300   7.583  -2.163
  111    H    TYR  15           H        TYR  15 -30.589   6.350   3.038
  112    HA   TYR  15           HA       TYR  15 -30.270   3.684   1.925
  113   1HB   TYR  15          1HB       TYR  15 -28.304   5.985   2.503
  114   2HB   TYR  15          2HB       TYR  15 -27.992   4.632   1.434
  115    HD1  TYR  15           1HD      TYR  15 -29.514   4.392  -0.655
  116    HD2  TYR  15           2HD      TYR  15 -29.233   7.976   1.664
  117    HE1  TYR  15           1HE      TYR  15 -30.425   5.737  -2.611
  118    HE2  TYR  15           2HE      TYR  15 -30.145   9.309  -0.299
  119    HH   TYR  15           HH       TYR  15 -30.129   8.318  -3.311
  120    H    TRP  16           H        TRP  16 -31.057   3.429   4.560
  121    HA   TRP  16           HA       TRP  16 -28.522   2.876   5.946
  122   1HB   TRP  16          1HB       TRP  16 -29.732   4.516   7.161
  123   2HB   TRP  16          2HB       TRP  16 -31.241   3.640   7.001
  124    HD1  TRP  16           HD       TRP  16 -31.865   2.581   9.296
  125    HE1  TRP  16           1HE      TRP  16 -30.667   1.419  11.340
  126    HE3  TRP  16           3HE      TRP  16 -27.143   3.039   7.465
  127    HZ2  TRP  16           2HZ      TRP  16 -27.941   0.835  11.948
  128    HZ3  TRP  16           3HZ      TRP  16 -25.270   2.147   8.847
  129    HH2  TRP  16           HH       TRP  16 -25.609   1.075  11.017
  130    H    SER  17           H        SER  17 -31.980   1.784   5.596
  131    HA   SER  17           HA       SER  17 -31.521  -0.745   6.596
  132   1HB   SER  17          1HB       SER  17 -33.737   0.606   5.970
  133   2HB   SER  17          2HB       SER  17 -33.604  -0.275   4.461
  134    HG   SER  17           HG       SER  17 -34.880  -1.510   5.882
  135    H    ILE  18           H        ILE  18 -31.669   0.462   3.170
  136    HA   ILE  18           HA       ILE  18 -31.281  -1.906   1.868
  137    HB   ILE  18           HB       ILE  18 -30.261   0.853   1.189
  138   1HG1  ILE  18          1HG1      ILE  18 -32.644  -0.352  -0.125
  139   2HG1  ILE  18          2HG1      ILE  18 -32.837   0.141   1.546
  140   1HG2  ILE  18          1HG2      ILE  18 -29.705   0.174  -0.923
  141   2HG2  ILE  18          2HG2      ILE  18 -29.264  -1.283  -0.001
  142   3HG2  ILE  18          3HG2      ILE  18 -30.805  -1.224  -0.890
  143   1HD1  ILE  18          1HD1      ILE  18 -32.132   2.417   1.043
  144   2HD1  ILE  18          2HD1      ILE  18 -31.659   1.952  -0.609
  145   3HD1  ILE  18          3HD1      ILE  18 -33.377   1.953  -0.142
  146    H    THR  19           H        THR  19 -28.714   0.392   3.023
  147    HA   THR  19           HA       THR  19 -26.510  -1.010   2.252
  148    HB   THR  19           HB       THR  19 -27.156   0.720   4.680
  149    HG1  THR  19           1HG      THR  19 -26.797   2.088   2.976
  150   1HG2  THR  19          1HG2      THR  19 -24.603  -0.728   3.952
  151   2HG2  THR  19          2HG2      THR  19 -24.481   0.964   4.491
  152   3HG2  THR  19          3HG2      THR  19 -25.210  -0.259   5.558
  153    H    GLN  20           H        GLN  20 -28.421  -1.518   5.282
  154    HA   GLN  20           HA       GLN  20 -26.816  -3.446   6.345
  155   1HB   GLN  20          1HB       GLN  20 -28.850  -2.302   7.385
  156   2HB   GLN  20          2HB       GLN  20 -29.860  -3.425   6.497
  157   1HG   GLN  20          1HG       GLN  20 -28.479  -5.320   7.589
  158   2HG   GLN  20          2HG       GLN  20 -27.792  -4.094   8.635
  159   1HE2  GLN  20          1HE2      GLN  20 -30.726  -5.727   7.630
  160   2HE2  GLN  20          2HE2      GLN  20 -31.694  -5.369   9.021
  161    H    ALA  21           H        ALA  21 -29.811  -3.976   4.338
  162    HA   ALA  21           HA       ALA  21 -29.745  -6.667   4.130
  163   1HB   ALA  21          1HB       ALA  21 -30.399  -5.734   1.548
  164   2HB   ALA  21          2HB       ALA  21 -31.518  -6.043   2.897
  165   3HB   ALA  21          3HB       ALA  21 -30.843  -4.414   2.657
  166    H    ILE  22           H        ILE  22 -27.491  -4.322   2.740
  167    HA   ILE  22           HA       ILE  22 -26.346  -6.305   0.973
  168    HB   ILE  22           HB       ILE  22 -25.990  -3.383   1.472
  169   1HG1  ILE  22          1HG1      ILE  22 -25.908  -4.058  -1.265
  170   2HG1  ILE  22          2HG1      ILE  22 -27.126  -5.103  -0.562
  171   1HG2  ILE  22          1HG2      ILE  22 -23.850  -5.249   0.660
  172   2HG2  ILE  22          2HG2      ILE  22 -24.071  -3.833  -0.396
  173   3HG2  ILE  22          3HG2      ILE  22 -23.757  -3.608   1.341
  174   1HD1  ILE  22          1HD1      ILE  22 -28.479  -3.318   0.121
  175   2HD1  ILE  22          2HD1      ILE  22 -27.110  -2.185   0.218
  176   3HD1  ILE  22          3HD1      ILE  22 -27.765  -2.655  -1.368
  177    H    GLU  23           H        GLU  23 -25.382  -4.382   3.895
  178    HA   GLU  23           HA       GLU  23 -22.895  -5.305   4.234
  179   1HB   GLU  23          1HB       GLU  23 -24.976  -4.164   5.919
  180   2HB   GLU  23          2HB       GLU  23 -24.049  -5.333   6.838
  181   1HG   GLU  23          1HG       GLU  23 -22.801  -3.091   5.180
  182   2HG   GLU  23          2HG       GLU  23 -23.104  -2.981   6.902
  183    H    TYR  24           H        TYR  24 -25.894  -7.126   4.513
  184    HA   TYR  24           HA       TYR  24 -25.259  -9.156   6.210
  185   1HB   TYR  24          1HB       TYR  24 -26.889  -8.630   3.757
  186   2HB   TYR  24          2HB       TYR  24 -26.509 -10.330   3.948
  187    HD1  TYR  24           1HD      TYR  24 -27.941 -11.656   5.214
  188    HD2  TYR  24           2HD      TYR  24 -27.819  -7.445   5.960
  189    HE1  TYR  24           1HE      TYR  24 -29.847 -11.888   6.880
  190    HE2  TYR  24           2HE      TYR  24 -29.726  -7.692   7.624
  191    HH   TYR  24           HH       TYR  24 -31.509  -9.159   8.110
  192    H    ASN  25           H        ASN  25 -24.130  -8.641   2.839
  193    HA   ASN  25           HA       ASN  25 -22.333 -10.889   3.290
  194   1HB   ASN  25          1HB       ASN  25 -24.223 -10.374   1.055
  195   2HB   ASN  25          2HB       ASN  25 -22.591 -10.696   0.502
  196   1HD2  ASN  25          1HD2      ASN  25 -25.429 -11.939   2.010
  197   2HD2  ASN  25          2HD2      ASN  25 -24.972 -13.607   2.111
  198    H    LEU  26           H        LEU  26 -20.902  -9.029   4.052
  199    HA   LEU  26           HA       LEU  26 -19.711  -7.676   1.736
  200   1HB   LEU  26          1HB       LEU  26 -21.096  -6.104   2.989
  201   2HB   LEU  26          2HB       LEU  26 -20.241  -6.498   4.467
  202    HG   LEU  26           HG       LEU  26 -18.644  -5.493   2.145
  203   1HD1  LEU  26          1HD1      LEU  26 -19.130  -3.138   3.245
  204   2HD1  LEU  26          2HD1      LEU  26 -20.161  -3.794   1.951
  205   3HD1  LEU  26          3HD1      LEU  26 -20.684  -3.909   3.648
  206   1HD2  LEU  26          1HD2      LEU  26 -18.452  -5.430   5.146
  207   2HD2  LEU  26          2HD2      LEU  26 -17.290  -6.048   3.947
  208   3HD2  LEU  26          3HD2      LEU  26 -17.518  -4.293   4.144
  209    H    LYS  27           H        LYS  27 -19.153  -8.352   5.269
  210    HA   LYS  27           HA       LYS  27 -16.534  -9.409   4.476
  211   1HB   LYS  27          1HB       LYS  27 -16.337  -7.096   5.392
  212   2HB   LYS  27          2HB       LYS  27 -17.063  -7.649   6.888
  213   1HG   LYS  27          1HG       LYS  27 -15.165  -8.765   7.561
  214   2HG   LYS  27          2HG       LYS  27 -14.792  -9.327   5.943
  215   1HD   LYS  27          1HD       LYS  27 -13.050  -7.799   6.319
  216   2HD   LYS  27          2HD       LYS  27 -14.203  -6.805   5.450
  217   1HE   LYS  27          1HE       LYS  27 -14.504  -6.894   8.438
  218   2HE   LYS  27          2HE       LYS  27 -13.094  -6.056   7.822
  219   1HZ   LYS  27          1HZ       LYS  27 -15.902  -5.434   7.400
  220   2HZ   LYS  27          2HZ       LYS  27 -14.674  -4.438   7.808
  221   3HZ   LYS  27          3HZ       LYS  27 -14.816  -4.972   6.271
  222    H    ARG  28           H        ARG  28 -18.200 -11.327   4.484
  223    HA   ARG  28           HA       ARG  28 -18.792 -12.186   7.153
  224   1HB   ARG  28          1HB       ARG  28 -19.994 -12.578   4.650
  225   2HB   ARG  28          2HB       ARG  28 -19.240 -14.130   4.958
  226   1HG   ARG  28          1HG       ARG  28 -20.751 -12.874   7.237
  227   2HG   ARG  28          2HG       ARG  28 -21.701 -13.494   5.901
  228   1HD   ARG  28          1HD       ARG  28 -19.828 -15.540   6.357
  229   2HD   ARG  28          2HD       ARG  28 -20.200 -14.971   7.972
  230    HE   ARG  28           HE       ARG  28 -22.693 -15.182   6.744
  231   1HH1  ARG  28          1HH1      ARG  28 -23.310 -18.596   7.121
  232   2HH1  ARG  28          2HH1      ARG  28 -24.019 -17.040   6.844
  233   1HH2  ARG  28          1HH2      ARG  28 -21.013 -18.793   7.392
  234   2HH2  ARG  28          2HH2      ARG  28 -20.008 -17.384   7.316
  235    H    THR  29           H        THR  29 -18.121 -14.403   7.919
  236    HA   THR  29           HA       THR  29 -15.644 -15.331   6.635
  237    HB   THR  29           HB       THR  29 -15.183 -13.848   8.641
  238    HG1  THR  29           1HG      THR  29 -13.949 -15.708   9.683
  239   1HG2  THR  29          1HG2      THR  29 -17.356 -15.077   9.829
  240   2HG2  THR  29          2HG2      THR  29 -16.016 -16.053  10.475
  241   3HG2  THR  29          3HG2      THR  29 -16.043 -14.293  10.740
  242    HA   PRO  30           HA       PRO  30 -18.437 -18.782   7.120
  243   1HB   PRO  30          1HB       PRO  30 -18.086 -19.839   4.624
  244   2HB   PRO  30          2HB       PRO  30 -19.375 -18.719   5.018
  245   1HG   PRO  30          1HG       PRO  30 -16.884 -18.220   3.508
  246   2HG   PRO  30          2HG       PRO  30 -18.352 -17.265   3.550
  247   1HD   PRO  30          1HD       PRO  30 -15.889 -16.686   4.901
  248   2HD   PRO  30          2HD       PRO  30 -17.392 -15.795   5.034
  249    H    ARG  31           H        ARG  31 -17.049 -19.542   8.772
  250    HA   ARG  31           HA       ARG  31 -15.468 -21.688   7.708
  251   1HB   ARG  31          1HB       ARG  31 -14.336 -19.289   9.141
  252   2HB   ARG  31          2HB       ARG  31 -13.658 -20.851   9.555
  253   1HG   ARG  31          1HG       ARG  31 -13.588 -21.137   6.878
  254   2HG   ARG  31          2HG       ARG  31 -13.585 -19.385   6.919
  255   1HD   ARG  31          1HD       ARG  31 -11.709 -20.278   8.912
  256   2HD   ARG  31          2HD       ARG  31 -11.392 -21.201   7.456
  257    HE   ARG  31           HE       ARG  31 -11.765 -18.335   6.958
  258   1HH1  ARG  31          1HH1      ARG  31  -8.373 -17.829   6.311
  259   2HH1  ARG  31          2HH1      ARG  31  -9.962 -17.148   6.208
  260   1HH2  ARG  31          1HH2      ARG  31  -8.075 -19.948   7.211
  261   2HH2  ARG  31          2HH2      ARG  31  -9.442 -20.847   7.779
  262    H    ARG  32           H        ARG  32 -16.980 -23.110   8.738
  263    HA   ARG  32           HA       ARG  32 -16.982 -22.882  11.641
  264   1HB   ARG  32          1HB       ARG  32 -19.191 -22.855   9.948
  265   2HB   ARG  32          2HB       ARG  32 -19.111 -24.549  10.390
  266   1HG   ARG  32          1HG       ARG  32 -18.664 -22.926  12.762
  267   2HG   ARG  32          2HG       ARG  32 -20.119 -22.373  11.956
  268   1HD   ARG  32          1HD       ARG  32 -20.781 -24.900  11.815
  269   2HD   ARG  32          2HD       ARG  32 -19.506 -25.171  12.987
  270    HE   ARG  32           HE       ARG  32 -20.925 -23.121  14.148
  271   1HH1  ARG  32          1HH1      ARG  32 -23.732 -24.755  15.423
  272   2HH1  ARG  32          2HH1      ARG  32 -22.723 -23.352  15.539
  273   1HH2  ARG  32          1HH2      ARG  32 -23.257 -26.400  13.857
  274   2HH2  ARG  32          2HH2      ARG  32 -21.893 -26.225  12.803
  Start of MODEL    4
    1    H    THR   1           H        THR   1 -32.964  27.662   2.044
    2    HA   THR   1           HA       THR   1 -30.206  26.945   2.331
    3    HB   THR   1           HB       THR   1 -32.187  28.756   3.784
    4    HG1  THR   1           1HG      THR   1 -29.730  28.973   2.191
    5   1HG2  THR   1          1HG2      THR   1 -30.729  29.046   5.519
    6   2HG2  THR   1          2HG2      THR   1 -29.796  27.653   4.920
    7   3HG2  THR   1          3HG2      THR   1 -29.389  29.299   4.376
    8    H    SER   2           H        SER   2 -33.062  26.644   4.556
    9    HA   SER   2           HA       SER   2 -31.560  24.730   6.066
   10   1HB   SER   2          1HB       SER   2 -32.857  26.224   7.393
   11   2HB   SER   2          2HB       SER   2 -34.272  26.049   6.375
   12    HG   SER   2           HG       SER   2 -33.195  24.195   8.295
   13    H    SER   3           H        SER   3 -33.672  24.758   3.347
   14    HA   SER   3           HA       SER   3 -35.068  22.390   3.834
   15   1HB   SER   3          1HB       SER   3 -35.071  24.381   1.882
   16   2HB   SER   3          2HB       SER   3 -34.481  22.989   0.997
   17    HG   SER   3           HG       SER   3 -36.961  23.452   1.317
   18    H    ILE   4           H        ILE   4 -31.804  23.147   2.698
   19    HA   ILE   4           HA       ILE   4 -31.369  20.554   1.551
   20    HB   ILE   4           HB       ILE   4 -29.543  22.874   2.174
   21   1HG1  ILE   4          1HG1      ILE   4 -29.765  22.305  -0.605
   22   2HG1  ILE   4          2HG1      ILE   4 -31.393  22.335   0.044
   23   1HG2  ILE   4          1HG2      ILE   4 -28.520  20.484   2.161
   24   2HG2  ILE   4          2HG2      ILE   4 -28.781  20.569   0.402
   25   3HG2  ILE   4          3HG2      ILE   4 -27.749  21.775   1.208
   26   1HD1  ILE   4          1HD1      ILE   4 -29.298  24.528   0.113
   27   2HD1  ILE   4          2HD1      ILE   4 -30.972  24.603  -0.488
   28   3HD1  ILE   4          3HD1      ILE   4 -30.657  24.530   1.263
   29    H    VAL   5           H        VAL   5 -30.062  22.333   4.442
   30    HA   VAL   5           HA       VAL   5 -28.598  20.397   5.575
   31    HB   VAL   5           HB       VAL   5 -30.484  22.393   6.821
   32   1HG1  VAL   5          1HG1      VAL   5 -30.208  20.709   8.500
   33   2HG1  VAL   5          2HG1      VAL   5 -28.462  20.584   8.176
   34   3HG1  VAL   5          3HG1      VAL   5 -29.126  22.058   8.921
   35   1HG2  VAL   5          1HG2      VAL   5 -27.459  22.445   6.696
   36   2HG2  VAL   5          2HG2      VAL   5 -28.491  23.145   5.426
   37   3HG2  VAL   5          3HG2      VAL   5 -28.573  23.776   7.089
   38    H    HIS   6           H        HIS   6 -32.152  20.838   6.228
   39    HA   HIS   6           HA       HIS   6 -32.447  18.541   7.704
   40   1HB   HIS   6          1HB       HIS   6 -34.054  20.602   6.898
   41   2HB   HIS   6          2HB       HIS   6 -34.727  19.275   5.971
   42    HD1  HIS   6           1HD      HIS   6 -35.440  20.920   8.942
   43    HD2  HIS   6           2HD      HIS   6 -34.879  16.861   8.046
   44    HE1  HIS   6           1HE      HIS   6 -36.594  19.611  10.804
   45    HE2  HIS   6           2HE      HIS   6 -36.262  17.124  10.170
   46    H    LEU   7           H        LEU   7 -32.963  19.036   4.143
   47    HA   LEU   7           HA       LEU   7 -33.718  16.488   3.505
   48   1HB   LEU   7          1HB       LEU   7 -33.883  18.193   1.900
   49   2HB   LEU   7          2HB       LEU   7 -32.182  18.599   2.014
   50    HG   LEU   7           HG       LEU   7 -31.682  16.307   1.032
   51   1HD1  LEU   7          1HD1      LEU   7 -34.608  16.178   1.143
   52   2HD1  LEU   7          2HD1      LEU   7 -33.933  15.763  -0.451
   53   3HD1  LEU   7          3HD1      LEU   7 -33.400  14.879   0.999
   54   1HD2  LEU   7          1HD2      LEU   7 -31.308  17.541  -0.770
   55   2HD2  LEU   7          2HD2      LEU   7 -33.024  17.398  -1.220
   56   3HD2  LEU   7          3HD2      LEU   7 -32.480  18.757  -0.207
   57    H    CYS   8           H        CYS   8 -30.361  17.827   3.765
   58    HA   CYS   8           HA       CYS   8 -28.991  15.606   2.991
   59   1HB   CYS   8          1HB       CYS   8 -28.408  17.958   4.697
   60   2HB   CYS   8          2HB       CYS   8 -27.365  16.575   4.960
   61    HG   CYS   8           HG       CYS   8 -28.047  18.262   2.208
   62    H    ALA   9           H        ALA   9 -30.935  16.199   5.868
   63    HA   ALA   9           HA       ALA   9 -29.849  13.796   7.144
   64   1HB   ALA   9          1HB       ALA   9 -30.388  16.292   8.162
   65   2HB   ALA   9          2HB       ALA   9 -31.886  15.415   8.554
   66   3HB   ALA   9          3HB       ALA   9 -30.318  14.798   9.126
   67    H    ILE  10           H        ILE  10 -31.310  13.382   4.767
   68    HA   ILE  10           HA       ILE  10 -33.506  11.862   5.853
   69    HB   ILE  10           HB       ILE  10 -33.914  14.144   3.932
   70   1HG1  ILE  10          1HG1      ILE  10 -35.178  13.380   6.578
   71   2HG1  ILE  10          2HG1      ILE  10 -34.113  14.737   6.271
   72   1HG2  ILE  10          1HG2      ILE  10 -34.992  12.307   2.866
   73   2HG2  ILE  10          2HG2      ILE  10 -35.682  11.733   4.403
   74   3HG2  ILE  10          3HG2      ILE  10 -36.254  13.258   3.685
   75   1HD1  ILE  10          1HD1      ILE  10 -36.052  15.179   4.365
   76   2HD1  ILE  10          2HD1      ILE  10 -37.007  14.427   5.665
   77   3HD1  ILE  10          3HD1      ILE  10 -36.064  15.901   5.993
   78    H    SER  11           H        SER  11 -31.976  13.071   2.785
   79    HA   SER  11           HA       SER  11 -32.440  10.565   1.544
   80   1HB   SER  11          1HB       SER  11 -32.066  13.095   0.605
   81   2HB   SER  11          2HB       SER  11 -30.440  12.476   0.397
   82    HG   SER  11           HG       SER  11 -31.109  11.384  -1.310
   83    H    LEU  12           H        LEU  12 -31.242   9.578   3.616
   84    HA   LEU  12           HA       LEU  12 -28.662   8.764   2.660
   85   1HB   LEU  12          1HB       LEU  12 -28.591  10.985   4.182
   86   2HB   LEU  12          2HB       LEU  12 -28.557   9.770   5.445
   87    HG   LEU  12           HG       LEU  12 -26.315  10.591   4.704
   88   1HD1  LEU  12          1HD1      LEU  12 -25.331   8.244   4.441
   89   2HD1  LEU  12          2HD1      LEU  12 -26.302   8.572   5.897
   90   3HD1  LEU  12          3HD1      LEU  12 -27.010   7.660   4.542
   91   1HD2  LEU  12          1HD2      LEU  12 -27.336  10.174   2.134
   92   2HD2  LEU  12          2HD2      LEU  12 -25.672  10.625   2.578
   93   3HD2  LEU  12          3HD2      LEU  12 -26.100   8.912   2.353
   94    H    ASP  13           H        ASP  13 -30.625   8.858   5.723
   95    HA   ASP  13           HA       ASP  13 -29.975   6.421   6.637
   96   1HB   ASP  13          1HB       ASP  13 -31.569   8.249   7.596
   97   2HB   ASP  13          2HB       ASP  13 -32.840   7.451   6.692
   98    H    ARG  14           H        ARG  14 -32.597   7.327   4.293
   99    HA   ARG  14           HA       ARG  14 -33.938   5.086   3.992
  100   1HB   ARG  14          1HB       ARG  14 -33.982   7.312   2.605
  101   2HB   ARG  14          2HB       ARG  14 -32.864   6.509   1.520
  102   1HG   ARG  14          1HG       ARG  14 -34.858   4.578   1.886
  103   2HG   ARG  14          2HG       ARG  14 -35.768   6.076   1.882
  104   1HD   ARG  14          1HD       ARG  14 -33.849   6.305  -0.231
  105   2HD   ARG  14          2HD       ARG  14 -34.527   4.694  -0.360
  106    HE   ARG  14           HE       ARG  14 -36.770   6.251   0.023
  107   1HH1  ARG  14          1HH1      ARG  14 -37.245   7.664  -3.133
  108   2HH1  ARG  14          2HH1      ARG  14 -37.995   7.251  -1.627
  109   1HH2  ARG  14          1HH2      ARG  14 -34.996   7.202  -3.474
  110   2HH2  ARG  14          2HH2      ARG  14 -34.068   6.444  -2.223
  111    H    TYR  15           H        TYR  15 -30.773   5.799   2.347
  112    HA   TYR  15           HA       TYR  15 -30.615   3.188   1.208
  113   1HB   TYR  15          1HB       TYR  15 -28.593   5.454   1.743
  114   2HB   TYR  15          2HB       TYR  15 -28.281   4.104   0.670
  115    HD1  TYR  15           1HD      TYR  15 -29.296   3.991  -1.543
  116    HD2  TYR  15           2HD      TYR  15 -30.169   7.237   1.104
  117    HE1  TYR  15           1HE      TYR  15 -30.308   5.301  -3.472
  118    HE2  TYR  15           2HE      TYR  15 -31.179   8.536  -0.835
  119    HH   TYR  15           HH       TYR  15 -31.264   7.126  -4.099
  120    H    TRP  16           H        TRP  16 -29.347   4.832   4.136
  121    HA   TRP  16           HA       TRP  16 -27.353   3.176   4.900
  122   1HB   TRP  16          1HB       TRP  16 -27.961   5.155   6.127
  123   2HB   TRP  16          2HB       TRP  16 -29.502   4.460   6.590
  124    HD1  TRP  16           HD       TRP  16 -29.390   3.783   9.103
  125    HE1  TRP  16           1HE      TRP  16 -27.678   2.703  10.796
  126    HE3  TRP  16           3HE      TRP  16 -25.564   3.364   5.780
  127    HZ2  TRP  16           2HZ      TRP  16 -24.976   1.815  10.560
  128    HZ3  TRP  16           3HZ      TRP  16 -23.423   2.380   6.593
  129    HH2  TRP  16           HH       TRP  16 -23.095   1.619   8.892
  130    H    SER  17           H        SER  17 -30.861   2.765   5.806
  131    HA   SER  17           HA       SER  17 -30.601   0.325   6.962
  132   1HB   SER  17          1HB       SER  17 -32.673   1.507   7.166
  133   2HB   SER  17          2HB       SER  17 -32.885   1.612   5.430
  134    HG   SER  17           HG       SER  17 -33.348  -0.616   5.328
  135    H    ILE  18           H        ILE  18 -31.367   1.097   3.494
  136    HA   ILE  18           HA       ILE  18 -31.653  -1.467   2.569
  137    HB   ILE  18           HB       ILE  18 -30.507   0.974   1.213
  138   1HG1  ILE  18          1HG1      ILE  18 -33.311  -0.137   1.014
  139   2HG1  ILE  18          2HG1      ILE  18 -32.858   1.046   2.224
  140   1HG2  ILE  18          1HG2      ILE  18 -30.596  -0.063  -0.830
  141   2HG2  ILE  18          2HG2      ILE  18 -30.076  -1.416   0.202
  142   3HG2  ILE  18          3HG2      ILE  18 -31.780  -1.278  -0.292
  143   1HD1  ILE  18          1HD1      ILE  18 -32.842   2.744   0.710
  144   2HD1  ILE  18          2HD1      ILE  18 -31.898   1.792  -0.461
  145   3HD1  ILE  18          3HD1      ILE  18 -33.668   1.612  -0.388
  146    H    THR  19           H        THR  19 -28.603   0.510   2.377
  147    HA   THR  19           HA       THR  19 -26.905  -1.396   1.498
  148    HB   THR  19           HB       THR  19 -26.550   0.825   3.570
  149    HG1  THR  19           1HG      THR  19 -25.680   1.780   1.541
  150   1HG2  THR  19          1HG2      THR  19 -24.135   0.426   2.173
  151   2HG2  THR  19          2HG2      THR  19 -24.420   0.036   3.886
  152   3HG2  THR  19          3HG2      THR  19 -24.633  -1.217   2.641
  153    H    GLN  20           H        GLN  20 -27.792  -0.881   4.974
  154    HA   GLN  20           HA       GLN  20 -26.239  -2.714   6.114
  155   1HB   GLN  20          1HB       GLN  20 -28.458  -1.248   6.877
  156   2HB   GLN  20          2HB       GLN  20 -29.054  -2.887   7.045
  157   1HG   GLN  20          1HG       GLN  20 -26.612  -3.200   8.215
  158   2HG   GLN  20          2HG       GLN  20 -26.861  -1.498   8.550
  159   1HE2  GLN  20          1HE2      GLN  20 -26.729  -2.748  10.724
  160   2HE2  GLN  20          2HE2      GLN  20 -28.246  -3.135  11.465
  161    H    ALA  21           H        ALA  21 -29.106  -3.322   4.072
  162    HA   ALA  21           HA       ALA  21 -29.033  -6.156   4.656
  163   1HB   ALA  21          1HB       ALA  21 -30.771  -5.650   2.504
  164   2HB   ALA  21          2HB       ALA  21 -31.216  -5.827   4.219
  165   3HB   ALA  21          3HB       ALA  21 -30.899  -4.210   3.544
  166    H    ILE  22           H        ILE  22 -26.549  -5.584   3.801
  167    HA   ILE  22           HA       ILE  22 -26.519  -6.860   1.203
  168    HB   ILE  22           HB       ILE  22 -25.210  -4.188   1.714
  169   1HG1  ILE  22          1HG1      ILE  22 -27.413  -5.037  -0.188
  170   2HG1  ILE  22          2HG1      ILE  22 -27.576  -3.980   1.200
  171   1HG2  ILE  22          1HG2      ILE  22 -25.063  -5.412  -0.972
  172   2HG2  ILE  22          2HG2      ILE  22 -23.862  -4.459  -0.068
  173   3HG2  ILE  22          3HG2      ILE  22 -24.073  -6.191   0.285
  174   1HD1  ILE  22          1HD1      ILE  22 -25.525  -2.733  -0.165
  175   2HD1  ILE  22          2HD1      ILE  22 -26.494  -3.397  -1.502
  176   3HD1  ILE  22          3HD1      ILE  22 -27.246  -2.302  -0.317
  177    H    GLU  23           H        GLU  23 -24.257  -5.149   3.482
  178    HA   GLU  23           HA       GLU  23 -22.367  -7.224   3.186
  179   1HB   GLU  23          1HB       GLU  23 -22.518  -4.581   4.424
  180   2HB   GLU  23          2HB       GLU  23 -21.710  -5.712   5.491
  181   1HG   GLU  23          1HG       GLU  23 -19.973  -4.820   4.113
  182   2HG   GLU  23          2HG       GLU  23 -20.280  -6.421   3.469
  183    H    TYR  24           H        TYR  24 -23.918  -9.025   3.772
  184    HA   TYR  24           HA       TYR  24 -23.429  -9.867   6.420
  185   1HB   TYR  24          1HB       TYR  24 -25.849  -8.297   5.744
  186   2HB   TYR  24          2HB       TYR  24 -26.303  -9.902   6.283
  187    HD1  TYR  24           1HD      TYR  24 -26.066  -6.722   7.423
  188    HD2  TYR  24           2HD      TYR  24 -24.599 -10.612   8.434
  189    HE1  TYR  24           1HE      TYR  24 -25.786  -5.995   9.844
  190    HE2  TYR  24           2HE      TYR  24 -24.324  -9.872  10.851
  191    HH   TYR  24           HH       TYR  24 -24.268  -6.739  11.781
  192    H    ASN  25           H        ASN  25 -25.451 -10.101   3.448
  193    HA   ASN  25           HA       ASN  25 -25.295 -12.995   3.776
  194   1HB   ASN  25          1HB       ASN  25 -27.581 -11.449   3.482
  195   2HB   ASN  25          2HB       ASN  25 -27.254 -11.873   1.814
  196   1HD2  ASN  25          1HD2      ASN  25 -27.200 -13.375   5.046
  197   2HD2  ASN  25          2HD2      ASN  25 -27.964 -14.867   4.608
  198    H    LEU  26           H        LEU  26 -23.088 -11.564   2.706
  199    HA   LEU  26           HA       LEU  26 -23.201 -12.436  -0.075
  200   1HB   LEU  26          1HB       LEU  26 -23.662 -10.169  -0.376
  201   2HB   LEU  26          2HB       LEU  26 -22.564  -9.668   0.895
  202    HG   LEU  26           HG       LEU  26 -20.640 -10.360  -0.524
  203   1HD1  LEU  26          1HD1      LEU  26 -21.107 -10.702  -2.978
  204   2HD1  LEU  26          2HD1      LEU  26 -21.566 -12.051  -1.910
  205   3HD1  LEU  26          3HD1      LEU  26 -22.815 -10.950  -2.541
  206   1HD2  LEU  26          1HD2      LEU  26 -21.514  -8.543  -2.436
  207   2HD2  LEU  26          2HD2      LEU  26 -22.460  -8.137  -0.984
  208   3HD2  LEU  26          3HD2      LEU  26 -20.682  -8.169  -0.908
  209    H    LYS  27           H        LYS  27 -20.879 -10.690   2.108
  210    HA   LYS  27           HA       LYS  27 -19.152 -13.050   1.907
  211   1HB   LYS  27          1HB       LYS  27 -18.327 -11.466   0.272
  212   2HB   LYS  27          2HB       LYS  27 -18.347 -10.165   1.445
  213   1HG   LYS  27          1HG       LYS  27 -16.189 -10.716   1.905
  214   2HG   LYS  27          2HG       LYS  27 -16.827 -12.116   2.743
  215   1HD   LYS  27          1HD       LYS  27 -16.545 -12.358  -0.237
  216   2HD   LYS  27          2HD       LYS  27 -15.056 -12.301   0.684
  217   1HE   LYS  27          1HE       LYS  27 -17.124 -14.107   1.836
  218   2HE   LYS  27          2HE       LYS  27 -16.561 -14.588   0.248
  219   1HZ   LYS  27          1HZ       LYS  27 -15.146 -14.549   2.730
  220   2HZ   LYS  27          2HZ       LYS  27 -14.902 -15.474   1.407
  221   3HZ   LYS  27          3HZ       LYS  27 -14.284 -13.964   1.472
  222    H    ARG  28           H        ARG  28 -20.586 -13.193   4.018
  223    HA   ARG  28           HA       ARG  28 -18.887 -12.091   6.083
  224   1HB   ARG  28          1HB       ARG  28 -21.124 -10.756   5.715
  225   2HB   ARG  28          2HB       ARG  28 -21.911 -12.145   6.438
  226   1HG   ARG  28          1HG       ARG  28 -20.961 -11.776   8.543
  227   2HG   ARG  28          2HG       ARG  28 -19.529 -11.007   7.886
  228   1HD   ARG  28          1HD       ARG  28 -21.101  -9.064   7.158
  229   2HD   ARG  28          2HD       ARG  28 -22.311  -9.800   8.189
  230    HE   ARG  28           HE       ARG  28 -19.868  -9.553   9.672
  231   1HH1  ARG  28          1HH1      ARG  28 -20.639  -6.496  11.168
  232   2HH1  ARG  28          2HH1      ARG  28 -19.621  -7.896  11.226
  233   1HH2  ARG  28          1HH2      ARG  28 -22.256  -6.304   9.514
  234   2HH2  ARG  28          2HH2      ARG  28 -22.443  -7.561   8.336
  235    H    THR  29           H        THR  29 -19.282 -13.275   8.251
  236    HA   THR  29           HA       THR  29 -20.165 -16.035   7.707
  237    HB   THR  29           HB       THR  29 -17.767 -16.065   7.942
  238    HG1  THR  29           1HG      THR  29 -19.118 -17.466   9.413
  239   1HG2  THR  29          1HG2      THR  29 -17.138 -13.937   8.842
  240   2HG2  THR  29          2HG2      THR  29 -18.288 -14.078  10.193
  241   3HG2  THR  29          3HG2      THR  29 -16.810 -15.069  10.175
  242    HA   PRO  30           HA       PRO  30 -22.847 -14.471  10.924
  243   1HB   PRO  30          1HB       PRO  30 -25.188 -15.444   9.904
  244   2HB   PRO  30          2HB       PRO  30 -24.604 -13.823   9.585
  245   1HG   PRO  30          1HG       PRO  30 -24.605 -16.177   7.797
  246   2HG   PRO  30          2HG       PRO  30 -24.432 -14.483   7.382
  247   1HD   PRO  30          1HD       PRO  30 -22.340 -16.442   7.507
  248   2HD   PRO  30          2HD       PRO  30 -22.152 -14.726   7.206
  249    H    ARG  31           H        ARG  31 -23.377 -15.434  12.825
  250    HA   ARG  31           HA       ARG  31 -23.618 -18.315  12.610
  251   1HB   ARG  31          1HB       ARG  31 -21.410 -16.874  13.811
  252   2HB   ARG  31          2HB       ARG  31 -22.285 -17.686  15.093
  253   1HG   ARG  31          1HG       ARG  31 -22.040 -19.849  14.015
  254   2HG   ARG  31          2HG       ARG  31 -21.459 -19.119  12.532
  255   1HD   ARG  31          1HD       ARG  31 -19.514 -18.154  14.010
  256   2HD   ARG  31          2HD       ARG  31 -20.019 -19.334  15.202
  257    HE   ARG  31           HE       ARG  31 -18.607 -19.883  12.721
  258   1HH1  ARG  31          1HH1      ARG  31 -18.883 -23.348  13.032
  259   2HH1  ARG  31          2HH1      ARG  31 -18.083 -22.048  12.212
  260   1HH2  ARG  31          1HH2      ARG  31 -20.487 -22.890  14.645
  261   2HH2  ARG  31          2HH2      ARG  31 -20.884 -21.249  15.031
  262    H    ARG  32           H        ARG  32 -25.035 -19.261  14.196
  263    HA   ARG  32           HA       ARG  32 -26.674 -17.279  15.498
  264   1HB   ARG  32          1HB       ARG  32 -28.305 -19.133  15.772
  265   2HB   ARG  32          2HB       ARG  32 -27.788 -19.010  14.102
  266   1HG   ARG  32          1HG       ARG  32 -26.345 -20.920  14.284
  267   2HG   ARG  32          2HG       ARG  32 -26.376 -20.884  16.036
  268   1HD   ARG  32          1HD       ARG  32 -28.140 -22.312  16.028
  269   2HD   ARG  32          2HD       ARG  32 -29.105 -21.113  15.189
  270    HE   ARG  32           HE       ARG  32 -27.742 -23.424  13.986
  271   1HH1  ARG  32          1HH1      ARG  32 -28.929 -22.657  10.795
  272   2HH1  ARG  32          2HH1      ARG  32 -28.155 -23.853  11.779
  273   1HH2  ARG  32          1HH2      ARG  32 -29.548 -20.619  11.717
  274   2HH2  ARG  32          2HH2      ARG  32 -29.234 -20.294  13.389
  Start of MODEL    5
    1    H    THR   1           H        THR   1 -29.284  26.392   3.264
    2    HA   THR   1           HA       THR   1 -27.354  25.852   4.275
    3    HB   THR   1           HB       THR   1 -28.261  27.927   6.336
    4    HG1  THR   1           1HG      THR   1 -26.654  29.129   5.109
    5   1HG2  THR   1          1HG2      THR   1 -26.395  27.481   7.586
    6   2HG2  THR   1          2HG2      THR   1 -26.285  25.937   6.707
    7   3HG2  THR   1          3HG2      THR   1 -25.382  27.357   6.127
    8    H    SER   2           H        SER   2 -29.885  26.290   6.844
    9    HA   SER   2           HA       SER   2 -29.125  23.729   7.884
   10   1HB   SER   2          1HB       SER   2 -29.647  25.637   9.399
   11   2HB   SER   2          2HB       SER   2 -31.283  25.694   8.774
   12    HG   SER   2           HG       SER   2 -30.364  24.202  10.804
   13    H    SER   3           H        SER   3 -31.319  25.028   5.560
   14    HA   SER   3           HA       SER   3 -33.257  22.938   5.967
   15   1HB   SER   3          1HB       SER   3 -33.670  25.457   5.250
   16   2HB   SER   3          2HB       SER   3 -33.290  24.873   3.642
   17    HG   SER   3           HG       SER   3 -35.139  23.311   5.117
   18    H    ILE   4           H        ILE   4 -30.712  21.895   5.394
   19    HA   ILE   4           HA       ILE   4 -31.231  20.714   2.785
   20    HB   ILE   4           HB       ILE   4 -28.609  21.992   3.567
   21   1HG1  ILE   4          1HG1      ILE   4 -30.482  22.634   1.271
   22   2HG1  ILE   4          2HG1      ILE   4 -30.399  23.541   2.767
   23   1HG2  ILE   4          1HG2      ILE   4 -28.722  19.681   2.253
   24   2HG2  ILE   4          2HG2      ILE   4 -29.040  20.771   0.882
   25   3HG2  ILE   4          3HG2      ILE   4 -27.551  20.956   1.839
   26   1HD1  ILE   4          1HD1      ILE   4 -29.010  24.630   1.055
   27   2HD1  ILE   4          2HD1      ILE   4 -27.968  23.992   2.349
   28   3HD1  ILE   4          3HD1      ILE   4 -28.100  23.121   0.803
   29    H    VAL   5           H        VAL   5 -28.855  20.758   5.540
   30    HA   VAL   5           HA       VAL   5 -27.985  18.226   5.456
   31    HB   VAL   5           HB       VAL   5 -28.758  19.941   7.814
   32   1HG1  VAL   5          1HG1      VAL   5 -26.774  18.077   8.595
   33   2HG1  VAL   5          2HG1      VAL   5 -28.444  18.217   9.193
   34   3HG1  VAL   5          3HG1      VAL   5 -28.076  17.143   7.822
   35   1HG2  VAL   5          1HG2      VAL   5 -26.029  19.745   7.777
   36   2HG2  VAL   5          2HG2      VAL   5 -26.412  19.690   6.040
   37   3HG2  VAL   5          3HG2      VAL   5 -26.965  21.062   7.030
   38    H    HIS   6           H        HIS   6 -30.931  19.232   7.344
   39    HA   HIS   6           HA       HIS   6 -31.762  16.769   8.084
   40   1HB   HIS   6          1HB       HIS   6 -32.724  19.268   8.347
   41   2HB   HIS   6          2HB       HIS   6 -33.864  18.667   7.160
   42    HD1  HIS   6           1HD      HIS   6 -32.374  17.140  10.364
   43    HD2  HIS   6           2HD      HIS   6 -36.065  17.752   8.467
   44    HE1  HIS   6           1HE      HIS   6 -34.142  16.112  11.890
   45    HE2  HIS   6           2HE      HIS   6 -36.393  16.567  10.698
   46    H    LEU   7           H        LEU   7 -32.824  18.506   5.066
   47    HA   LEU   7           HA       LEU   7 -34.296  16.455   4.000
   48   1HB   LEU   7          1HB       LEU   7 -32.756  18.745   2.833
   49   2HB   LEU   7          2HB       LEU   7 -33.509  17.571   1.772
   50    HG   LEU   7           HG       LEU   7 -35.084  18.987   3.923
   51   1HD1  LEU   7          1HD1      LEU   7 -35.816  20.404   1.800
   52   2HD1  LEU   7          2HD1      LEU   7 -34.446  20.883   2.831
   53   3HD1  LEU   7          3HD1      LEU   7 -34.150  20.039   1.292
   54   1HD2  LEU   7          1HD2      LEU   7 -35.965  16.909   2.769
   55   2HD2  LEU   7          2HD2      LEU   7 -37.001  18.355   2.692
   56   3HD2  LEU   7          3HD2      LEU   7 -36.033  17.877   1.277
   57    H    CYS   8           H        CYS   8 -30.773  17.170   3.483
   58    HA   CYS   8           HA       CYS   8 -30.222  15.097   1.803
   59   1HB   CYS   8          1HB       CYS   8 -28.749  17.040   3.100
   60   2HB   CYS   8          2HB       CYS   8 -28.116  15.567   3.808
   61    HG   CYS   8           HG       CYS   8 -28.410  14.569   1.044
   62    H    ALA   9           H        ALA   9 -30.940  15.130   5.276
   63    HA   ALA   9           HA       ALA   9 -30.039  12.388   5.598
   64   1HB   ALA   9          1HB       ALA   9 -30.838  12.827   7.975
   65   2HB   ALA   9          2HB       ALA   9 -29.518  13.876   7.406
   66   3HB   ALA   9          3HB       ALA   9 -31.185  14.496   7.464
   67    H    ILE  10           H        ILE  10 -31.880  12.336   3.626
   68    HA   ILE  10           HA       ILE  10 -34.138  11.091   4.975
   69    HB   ILE  10           HB       ILE  10 -34.412  13.226   2.856
   70   1HG1  ILE  10          1HG1      ILE  10 -33.981  14.028   5.184
   71   2HG1  ILE  10          2HG1      ILE  10 -35.513  14.545   4.507
   72   1HG2  ILE  10          1HG2      ILE  10 -36.208  12.061   2.211
   73   2HG2  ILE  10          2HG2      ILE  10 -36.175  11.022   3.656
   74   3HG2  ILE  10          3HG2      ILE  10 -36.946  12.625   3.729
   75   1HD1  ILE  10          1HD1      ILE  10 -35.188  12.119   6.333
   76   2HD1  ILE  10          2HD1      ILE  10 -35.702  13.733   6.881
   77   3HD1  ILE  10          3HD1      ILE  10 -36.721  12.811   5.750
   78    H    SER  11           H        SER  11 -32.592  11.901   1.791
   79    HA   SER  11           HA       SER  11 -33.590   9.501   0.659
   80   1HB   SER  11          1HB       SER  11 -32.785  11.879  -0.389
   81   2HB   SER  11          2HB       SER  11 -31.310  10.962  -0.626
   82    HG   SER  11           HG       SER  11 -32.264  10.148  -2.354
   83    H    LEU  12           H        LEU  12 -30.431  10.720   1.915
   84    HA   LEU  12           HA       LEU  12 -28.901   8.518   1.156
   85   1HB   LEU  12          1HB       LEU  12 -27.757  10.454   1.724
   86   2HB   LEU  12          2HB       LEU  12 -28.650  10.679   3.215
   87    HG   LEU  12           HG       LEU  12 -27.483   8.532   4.036
   88   1HD1  LEU  12          1HD1      LEU  12 -25.073   8.757   2.668
   89   2HD1  LEU  12          2HD1      LEU  12 -26.261   7.439   2.532
   90   3HD1  LEU  12          3HD1      LEU  12 -26.309   8.803   1.388
   91   1HD2  LEU  12          1HD2      LEU  12 -25.532  10.774   3.619
   92   2HD2  LEU  12          2HD2      LEU  12 -27.009  11.042   4.576
   93   3HD2  LEU  12          3HD2      LEU  12 -25.846   9.787   5.067
   94    H    ASP  13           H        ASP  13 -30.328   9.292   4.413
   95    HA   ASP  13           HA       ASP  13 -29.675   7.047   5.688
   96   1HB   ASP  13          1HB       ASP  13 -31.131   9.103   6.413
   97   2HB   ASP  13          2HB       ASP  13 -32.501   8.158   5.864
   98    H    ARG  14           H        ARG  14 -32.631   7.602   3.633
   99    HA   ARG  14           HA       ARG  14 -33.938   5.328   3.918
  100   1HB   ARG  14          1HB       ARG  14 -33.791   7.381   1.945
  101   2HB   ARG  14          2HB       ARG  14 -33.708   5.877   1.048
  102   1HG   ARG  14          1HG       ARG  14 -35.720   5.443   3.001
  103   2HG   ARG  14          2HG       ARG  14 -35.994   7.079   2.434
  104   1HD   ARG  14          1HD       ARG  14 -35.913   6.213   0.048
  105   2HD   ARG  14          2HD       ARG  14 -35.775   4.584   0.680
  106    HE   ARG  14           HE       ARG  14 -38.016   5.572   1.977
  107   1HH1  ARG  14          1HH1      ARG  14 -40.458   5.232  -0.493
  108   2HH1  ARG  14          2HH1      ARG  14 -40.160   5.393   1.205
  109   1HH2  ARG  14          1HH2      ARG  14 -38.680   5.198  -1.985
  110   2HH2  ARG  14          2HH2      ARG  14 -37.056   5.334  -1.400
  111    H    TYR  15           H        TYR  15 -31.029   5.832   1.820
  112    HA   TYR  15           HA       TYR  15 -31.022   3.106   0.935
  113   1HB   TYR  15          1HB       TYR  15 -29.029   5.458   0.901
  114   2HB   TYR  15          2HB       TYR  15 -28.759   3.968   0.019
  115    HD1  TYR  15           1HD      TYR  15 -31.145   3.317  -1.357
  116    HD2  TYR  15           2HD      TYR  15 -29.600   7.212  -0.493
  117    HE1  TYR  15           1HE      TYR  15 -32.416   4.269  -3.342
  118    HE2  TYR  15           2HE      TYR  15 -30.876   8.151  -2.482
  119    HH   TYR  15           HH       TYR  15 -32.229   7.737  -4.107
  120    H    TRP  16           H        TRP  16 -29.378   5.076   3.444
  121    HA   TRP  16           HA       TRP  16 -27.270   3.524   4.104
  122   1HB   TRP  16          1HB       TRP  16 -27.704   5.610   5.190
  123   2HB   TRP  16          2HB       TRP  16 -29.191   5.010   5.896
  124    HD1  TRP  16           HD       TRP  16 -28.807   4.611   8.441
  125    HE1  TRP  16           1HE      TRP  16 -26.928   3.683  10.045
  126    HE3  TRP  16           3HE      TRP  16 -25.383   3.734   4.785
  127    HZ2  TRP  16           2HZ      TRP  16 -24.281   2.708   9.615
  128    HZ3  TRP  16           3HZ      TRP  16 -23.177   2.792   5.462
  129    HH2  TRP  16           HH       TRP  16 -22.602   2.282   7.782
  130    H    SER  17           H        SER  17 -30.564   3.222   5.637
  131    HA   SER  17           HA       SER  17 -30.104   0.920   6.965
  132   1HB   SER  17          1HB       SER  17 -32.203   2.482   6.863
  133   2HB   SER  17          2HB       SER  17 -32.753   1.431   5.574
  134    HG   SER  17           HG       SER  17 -32.064  -0.296   7.402
  135    H    ILE  18           H        ILE  18 -31.475   1.267   3.611
  136    HA   ILE  18           HA       ILE  18 -31.858  -1.343   2.998
  137    HB   ILE  18           HB       ILE  18 -30.967   1.012   1.362
  138   1HG1  ILE  18          1HG1      ILE  18 -33.577  -0.527   1.372
  139   2HG1  ILE  18          2HG1      ILE  18 -33.275   0.877   2.376
  140   1HG2  ILE  18          1HG2      ILE  18 -30.017  -0.924   0.246
  141   2HG2  ILE  18          2HG2      ILE  18 -31.582  -1.768   0.323
  142   3HG2  ILE  18          3HG2      ILE  18 -31.409  -0.302  -0.672
  143   1HD1  ILE  18          1HD1      ILE  18 -32.531   2.004   0.085
  144   2HD1  ILE  18          2HD1      ILE  18 -33.521   0.708  -0.628
  145   3HD1  ILE  18          3HD1      ILE  18 -34.257   1.871   0.501
  146    H    THR  19           H        THR  19 -28.800   0.473   2.225
  147    HA   THR  19           HA       THR  19 -27.344  -1.792   1.531
  148    HB   THR  19           HB       THR  19 -25.394  -0.136   2.150
  149    HG1  THR  19           1HG      THR  19 -26.923   1.004   3.662
  150   1HG2  THR  19          1HG2      THR  19 -27.406  -0.019   0.019
  151   2HG2  THR  19          2HG2      THR  19 -26.839   1.614   0.441
  152   3HG2  THR  19          3HG2      THR  19 -25.671   0.370  -0.064
  153    H    GLN  20           H        GLN  20 -27.999  -0.326   4.725
  154    HA   GLN  20           HA       GLN  20 -26.073  -1.555   6.177
  155   1HB   GLN  20          1HB       GLN  20 -28.050   0.088   6.824
  156   2HB   GLN  20          2HB       GLN  20 -28.896  -1.387   7.250
  157   1HG   GLN  20          1HG       GLN  20 -26.080  -1.090   8.266
  158   2HG   GLN  20          2HG       GLN  20 -27.299  -0.066   8.997
  159   1HE2  GLN  20          1HE2      GLN  20 -28.753  -0.880  10.381
  160   2HE2  GLN  20          2HE2      GLN  20 -28.844  -2.534  10.886
  161    H    ALA  21           H        ALA  21 -29.403  -2.834   5.457
  162    HA   ALA  21           HA       ALA  21 -28.603  -5.427   6.474
  163   1HB   ALA  21          1HB       ALA  21 -31.183  -4.168   5.506
  164   2HB   ALA  21          2HB       ALA  21 -31.052  -5.920   5.791
  165   3HB   ALA  21          3HB       ALA  21 -30.780  -4.777   7.129
  166    H    ILE  22           H        ILE  22 -26.932  -4.790   4.395
  167    HA   ILE  22           HA       ILE  22 -27.797  -6.725   2.413
  168    HB   ILE  22           HB       ILE  22 -27.162  -3.848   1.814
  169   1HG1  ILE  22          1HG1      ILE  22 -29.381  -5.660   0.822
  170   2HG1  ILE  22          2HG1      ILE  22 -29.531  -4.577   2.191
  171   1HG2  ILE  22          1HG2      ILE  22 -26.309  -6.184   0.319
  172   2HG2  ILE  22          2HG2      ILE  22 -27.417  -5.167  -0.633
  173   3HG2  ILE  22          3HG2      ILE  22 -25.938  -4.462   0.063
  174   1HD1  ILE  22          1HD1      ILE  22 -30.399  -3.552   0.088
  175   2HD1  ILE  22          2HD1      ILE  22 -29.034  -2.627   0.758
  176   3HD1  ILE  22          3HD1      ILE  22 -28.781  -3.703  -0.638
  177    H    GLU  23           H        GLU  23 -25.236  -4.426   3.541
  178    HA   GLU  23           HA       GLU  23 -23.155  -5.835   2.361
  179   1HB   GLU  23          1HB       GLU  23 -23.193  -3.434   3.328
  180   2HB   GLU  23          2HB       GLU  23 -22.923  -4.170   4.895
  181   1HG   GLU  23          1HG       GLU  23 -20.704  -4.178   4.425
  182   2HG   GLU  23          2HG       GLU  23 -21.021  -5.419   3.229
  183    H    TYR  24           H        TYR  24 -25.048  -6.376   5.276
  184    HA   TYR  24           HA       TYR  24 -23.301  -7.760   6.872
  185   1HB   TYR  24          1HB       TYR  24 -26.233  -7.623   6.222
  186   2HB   TYR  24          2HB       TYR  24 -25.763  -9.121   7.001
  187    HD1  TYR  24           1HD      TYR  24 -25.202  -5.428   7.423
  188    HD2  TYR  24           2HD      TYR  24 -25.887  -9.204   9.314
  189    HE1  TYR  24           1HE      TYR  24 -25.292  -4.283   9.691
  190    HE2  TYR  24           2HE      TYR  24 -25.974  -8.047  11.576
  191    HH   TYR  24           HH       TYR  24 -24.771  -5.193  12.187
  192    H    ASN  25           H        ASN  25 -25.258  -8.972   4.078
  193    HA   ASN  25           HA       ASN  25 -23.728 -11.441   4.300
  194   1HB   ASN  25          1HB       ASN  25 -26.530 -10.789   3.395
  195   2HB   ASN  25          2HB       ASN  25 -25.716 -12.086   2.544
  196   1HD2  ASN  25          1HD2      ASN  25 -26.526 -10.876   5.771
  197   2HD2  ASN  25          2HD2      ASN  25 -26.673 -12.410   6.561
  198    H    LEU  26           H        LEU  26 -22.017  -9.941   3.163
  199    HA   LEU  26           HA       LEU  26 -22.335 -10.299   0.294
  200   1HB   LEU  26          1HB       LEU  26 -23.128  -8.019   0.818
  201   2HB   LEU  26          2HB       LEU  26 -21.574  -7.654   1.540
  202    HG   LEU  26           HG       LEU  26 -20.616  -8.329  -0.807
  203   1HD1  LEU  26          1HD1      LEU  26 -21.991  -8.250  -2.650
  204   2HD1  LEU  26          2HD1      LEU  26 -23.043  -9.060  -1.465
  205   3HD1  LEU  26          3HD1      LEU  26 -23.258  -7.327  -1.808
  206   1HD2  LEU  26          1HD2      LEU  26 -21.179  -5.913  -1.597
  207   2HD2  LEU  26          2HD2      LEU  26 -21.938  -5.758   0.006
  208   3HD2  LEU  26          3HD2      LEU  26 -20.209  -6.158  -0.125
  209    H    LYS  27           H        LYS  27 -20.011  -8.611   2.516
  210    HA   LYS  27           HA       LYS  27 -18.065 -10.690   1.843
  211   1HB   LYS  27          1HB       LYS  27 -17.661  -8.837   0.305
  212   2HB   LYS  27          2HB       LYS  27 -17.596  -7.701   1.638
  213   1HG   LYS  27          1HG       LYS  27 -15.336  -8.104   1.519
  214   2HG   LYS  27          2HG       LYS  27 -15.737  -9.489   2.516
  215   1HD   LYS  27          1HD       LYS  27 -16.173 -10.688   0.180
  216   2HD   LYS  27          2HD       LYS  27 -15.172  -9.399  -0.458
  217   1HE   LYS  27          1HE       LYS  27 -13.319 -10.016   1.034
  218   2HE   LYS  27          2HE       LYS  27 -14.321 -11.189   1.866
  219   1HZ   LYS  27          1HZ       LYS  27 -13.779 -12.652   0.336
  220   2HZ   LYS  27          2HZ       LYS  27 -14.405 -11.730  -0.858
  221   3HZ   LYS  27          3HZ       LYS  27 -12.837 -11.561  -0.433
  222    H    ARG  28           H        ARG  28 -18.969 -11.372   4.027
  223    HA   ARG  28           HA       ARG  28 -18.005  -9.681   6.155
  224   1HB   ARG  28          1HB       ARG  28 -20.229 -11.428   5.848
  225   2HB   ARG  28          2HB       ARG  28 -19.188 -12.229   7.008
  226   1HG   ARG  28          1HG       ARG  28 -19.055  -9.723   8.031
  227   2HG   ARG  28          2HG       ARG  28 -20.610  -9.587   7.234
  228   1HD   ARG  28          1HD       ARG  28 -20.182 -12.081   8.845
  229   2HD   ARG  28          2HD       ARG  28 -20.299 -10.591   9.760
  230    HE   ARG  28           HE       ARG  28 -22.563 -10.379   9.126
  231   1HH1  ARG  28          1HH1      ARG  28 -24.516 -12.529   7.193
  232   2HH1  ARG  28          2HH1      ARG  28 -24.527 -11.174   8.271
  233   1HH2  ARG  28          1HH2      ARG  28 -22.506 -13.537   6.616
  234   2HH2  ARG  28          2HH2      ARG  28 -21.018 -12.934   7.264
  235    H    THR  29           H        THR  29 -16.965 -10.994   8.106
  236    HA   THR  29           HA       THR  29 -15.224 -12.149   8.867
  237    HB   THR  29           HB       THR  29 -16.215 -14.026   6.668
  238    HG1  THR  29           1HG      THR  29 -17.442 -14.677   8.419
  239   1HG2  THR  29          1HG2      THR  29 -14.993 -15.733   8.290
  240   2HG2  THR  29          2HG2      THR  29 -14.045 -14.922   7.021
  241   3HG2  THR  29          3HG2      THR  29 -13.976 -14.331   8.699
  242    HA   PRO  30           HA       PRO  30 -12.536 -10.455   5.645
  243   1HB   PRO  30          1HB       PRO  30 -11.612  -8.274   7.008
  244   2HB   PRO  30          2HB       PRO  30 -12.950  -8.202   5.878
  245   1HG   PRO  30          1HG       PRO  30 -13.013  -8.134   8.833
  246   2HG   PRO  30          2HG       PRO  30 -14.254  -7.645   7.697
  247   1HD   PRO  30          1HD       PRO  30 -14.195 -10.063   9.238
  248   2HD   PRO  30          2HD       PRO  30 -15.374  -9.627   8.017
  249    H    ARG  31           H        ARG  31 -10.079  -9.710   5.914
  250    HA   ARG  31           HA       ARG  31  -9.083 -11.669   7.822
  251   1HB   ARG  31          1HB       ARG  31  -8.001 -10.725   5.131
  252   2HB   ARG  31          2HB       ARG  31  -6.989 -11.595   6.266
  253   1HG   ARG  31          1HG       ARG  31  -8.702 -13.462   6.295
  254   2HG   ARG  31          2HG       ARG  31  -9.612 -12.603   5.068
  255   1HD   ARG  31          1HD       ARG  31  -7.833 -12.827   3.443
  256   2HD   ARG  31          2HD       ARG  31  -6.680 -13.331   4.663
  257    HE   ARG  31           HE       ARG  31  -7.597 -15.508   4.635
  258   1HH1  ARG  31          1HH1      ARG  31 -10.137 -16.787   2.612
  259   2HH1  ARG  31          2HH1      ARG  31  -8.854 -17.177   3.709
  260   1HH2  ARG  31          1HH2      ARG  31 -10.578 -14.570   2.084
  261   2HH2  ARG  31          2HH2      ARG  31  -9.625 -13.306   2.786
  262    H    ARG  32           H        ARG  32  -8.984 -10.116   9.585
  263    HA   ARG  32           HA       ARG  32  -7.460  -7.739   9.129
  264   1HB   ARG  32          1HB       ARG  32  -9.568  -8.184  10.736
  265   2HB   ARG  32          2HB       ARG  32  -8.326  -8.651  11.882
  266   1HG   ARG  32          1HG       ARG  32  -7.345  -6.253  10.768
  267   2HG   ARG  32          2HG       ARG  32  -9.067  -5.966  10.928
  268   1HD   ARG  32          1HD       ARG  32  -8.893  -6.804  13.344
  269   2HD   ARG  32          2HD       ARG  32  -7.153  -6.838  13.144
  270    HE   ARG  32           HE       ARG  32  -8.835  -4.453  13.418
  271   1HH1  ARG  32          1HH1      ARG  32  -6.119  -2.283  13.114
  272   2HH1  ARG  32          2HH1      ARG  32  -7.788  -2.426  13.553
  273   1HH2  ARG  32          1HH2      ARG  32  -4.946  -4.149  12.388
  274   2HH2  ARG  32          2HH2      ARG  32  -5.739  -5.685  12.286
  Start of MODEL    6
    1    H    THR   1           H        THR   1 -28.528  27.385   2.727
    2    HA   THR   1           HA       THR   1 -26.102  25.807   3.290
    3    HB   THR   1           HB       THR   1 -27.235  28.339   4.587
    4    HG1  THR   1           1HG      THR   1 -24.670  27.607   3.369
    5   1HG2  THR   1          1HG2      THR   1 -24.635  27.880   5.532
    6   2HG2  THR   1          2HG2      THR   1 -26.125  27.650   6.477
    7   3HG2  THR   1          3HG2      THR   1 -25.389  26.270   5.628
    8    H    SER   2           H        SER   2 -29.120  27.009   4.917
    9    HA   SER   2           HA       SER   2 -29.062  24.657   6.547
   10   1HB   SER   2          1HB       SER   2 -29.704  26.960   7.396
   11   2HB   SER   2          2HB       SER   2 -31.159  26.868   6.423
   12    HG   SER   2           HG       SER   2 -31.068  26.096   8.854
   13    H    SER   3           H        SER   3 -30.289  25.591   3.478
   14    HA   SER   3           HA       SER   3 -32.575  23.848   3.657
   15   1HB   SER   3          1HB       SER   3 -32.406  26.159   2.402
   16   2HB   SER   3          2HB       SER   3 -31.627  25.233   1.134
   17    HG   SER   3           HG       SER   3 -33.493  24.223   0.642
   18    H    ILE   4           H        ILE   4 -30.103  22.516   4.078
   19    HA   ILE   4           HA       ILE   4 -30.069  20.817   1.708
   20    HB   ILE   4           HB       ILE   4 -27.680  22.140   2.973
   21   1HG1  ILE   4          1HG1      ILE   4 -28.161  21.856   0.029
   22   2HG1  ILE   4          2HG1      ILE   4 -29.108  23.030   0.921
   23   1HG2  ILE   4          1HG2      ILE   4 -27.885  19.447   1.847
   24   2HG2  ILE   4          2HG2      ILE   4 -26.669  20.461   1.034
   25   3HG2  ILE   4          3HG2      ILE   4 -26.583  20.205   2.794
   26   1HD1  ILE   4          1HD1      ILE   4 -26.093  22.904   0.594
   27   2HD1  ILE   4          2HD1      ILE   4 -27.196  24.253   0.232
   28   3HD1  ILE   4          3HD1      ILE   4 -26.832  23.829   1.922
   29    H    VAL   5           H        VAL   5 -28.596  21.226   5.010
   30    HA   VAL   5           HA       VAL   5 -28.177  18.657   5.652
   31    HB   VAL   5           HB       VAL   5 -29.260  20.929   7.313
   32   1HG1  VAL   5          1HG1      VAL   5 -29.865  18.826   8.418
   33   2HG1  VAL   5          2HG1      VAL   5 -28.181  18.264   8.294
   34   3HG1  VAL   5          3HG1      VAL   5 -28.578  19.669   9.313
   35   1HG2  VAL   5          1HG2      VAL   5 -26.971  21.197   8.043
   36   2HG2  VAL   5          2HG2      VAL   5 -26.472  19.738   7.153
   37   3HG2  VAL   5          3HG2      VAL   5 -27.010  21.184   6.263
   38    H    HIS   6           H        HIS   6 -31.317  20.389   6.272
   39    HA   HIS   6           HA       HIS   6 -32.750  18.315   7.215
   40   1HB   HIS   6          1HB       HIS   6 -33.362  20.802   6.756
   41   2HB   HIS   6          2HB       HIS   6 -33.951  20.218   5.212
   42    HD1  HIS   6           1HD      HIS   6 -34.568  19.798   8.946
   43    HD2  HIS   6           2HD      HIS   6 -36.434  18.980   5.279
   44    HE1  HIS   6           1HE      HIS   6 -36.938  19.036   9.504
   45    HE2  HIS   6           2HE      HIS   6 -38.053  18.600   7.210
   46    H    LEU   7           H        LEU   7 -32.255  19.157   3.721
   47    HA   LEU   7           HA       LEU   7 -33.777  17.102   2.675
   48   1HB   LEU   7          1HB       LEU   7 -32.286  19.184   1.714
   49   2HB   LEU   7          2HB       LEU   7 -31.344  17.805   1.184
   50    HG   LEU   7           HG       LEU   7 -34.290  17.760   0.673
   51   1HD1  LEU   7          1HD1      LEU   7 -32.350  19.653  -0.615
   52   2HD1  LEU   7          2HD1      LEU   7 -33.677  18.949  -1.570
   53   3HD1  LEU   7          3HD1      LEU   7 -34.039  19.912  -0.117
   54   1HD2  LEU   7          1HD2      LEU   7 -33.791  16.169  -0.834
   55   2HD2  LEU   7          2HD2      LEU   7 -32.343  17.024  -1.419
   56   3HD2  LEU   7          3HD2      LEU   7 -32.262  16.052   0.070
   57    H    CYS   8           H        CYS   8 -30.159  17.160   3.066
   58    HA   CYS   8           HA       CYS   8 -29.728  14.552   2.413
   59   1HB   CYS   8          1HB       CYS   8 -28.267  16.594   4.002
   60   2HB   CYS   8          2HB       CYS   8 -27.784  14.931   4.270
   61    HG   CYS   8           HG       CYS   8 -26.174  15.310   2.499
   62    H    ALA   9           H        ALA   9 -31.137  15.997   5.321
   63    HA   ALA   9           HA       ALA   9 -30.709  13.930   7.132
   64   1HB   ALA   9          1HB       ALA   9 -31.936  15.275   8.475
   65   2HB   ALA   9          2HB       ALA   9 -31.933  16.415   7.108
   66   3HB   ALA   9          3HB       ALA   9 -33.306  15.305   7.339
   67    H    ILE  10           H        ILE  10 -33.361  14.507   4.737
   68    HA   ILE  10           HA       ILE  10 -34.659  12.060   5.470
   69    HB   ILE  10           HB       ILE  10 -35.109  14.057   3.253
   70   1HG1  ILE  10          1HG1      ILE  10 -37.288  14.031   4.984
   71   2HG1  ILE  10          2HG1      ILE  10 -35.912  13.890   6.060
   72   1HG2  ILE  10          1HG2      ILE  10 -37.009  12.914   2.562
   73   2HG2  ILE  10          2HG2      ILE  10 -35.826  11.608   2.818
   74   3HG2  ILE  10          3HG2      ILE  10 -37.080  11.925   4.040
   75   1HD1  ILE  10          1HD1      ILE  10 -35.049  15.817   4.235
   76   2HD1  ILE  10          2HD1      ILE  10 -36.781  16.183   4.423
   77   3HD1  ILE  10          3HD1      ILE  10 -35.718  16.147   5.851
   78    H    SER  11           H        SER  11 -32.746  13.279   2.642
   79    HA   SER  11           HA       SER  11 -32.832  10.786   1.356
   80   1HB   SER  11          1HB       SER  11 -31.480  13.415   0.960
   81   2HB   SER  11          2HB       SER  11 -30.651  12.043   0.253
   82    HG   SER  11           HG       SER  11 -32.117  12.861  -1.288
   83    H    LEU  12           H        LEU  12 -32.207   9.704   3.596
   84    HA   LEU  12           HA       LEU  12 -29.478   8.883   3.321
   85   1HB   LEU  12          1HB       LEU  12 -30.156  10.951   5.207
   86   2HB   LEU  12          2HB       LEU  12 -29.630   9.514   6.061
   87    HG   LEU  12           HG       LEU  12 -28.053  10.844   3.842
   88   1HD1  LEU  12          1HD1      LEU  12 -27.427  12.400   5.291
   89   2HD1  LEU  12          2HD1      LEU  12 -28.417  11.658   6.571
   90   3HD1  LEU  12          3HD1      LEU  12 -26.735  11.129   6.327
   91   1HD2  LEU  12          1HD2      LEU  12 -27.457   8.542   3.996
   92   2HD2  LEU  12          2HD2      LEU  12 -26.176   9.479   4.803
   93   3HD2  LEU  12          3HD2      LEU  12 -27.390   8.611   5.774
   94    H    ASP  13           H        ASP  13 -32.186   8.962   5.751
   95    HA   ASP  13           HA       ASP  13 -31.874   6.606   6.886
   96   1HB   ASP  13          1HB       ASP  13 -33.758   8.199   7.306
   97   2HB   ASP  13          2HB       ASP  13 -34.519   7.695   5.810
   98    H    ARG  14           H        ARG  14 -33.692   7.192   3.779
   99    HA   ARG  14           HA       ARG  14 -34.559   4.789   3.168
  100   1HB   ARG  14          1HB       ARG  14 -34.389   7.044   1.761
  101   2HB   ARG  14          2HB       ARG  14 -32.996   6.273   1.029
  102   1HG   ARG  14          1HG       ARG  14 -35.558   4.687   1.234
  103   2HG   ARG  14          2HG       ARG  14 -35.461   5.948   0.021
  104   1HD   ARG  14          1HD       ARG  14 -33.549   4.913  -1.047
  105   2HD   ARG  14          2HD       ARG  14 -33.291   3.825   0.302
  106    HE   ARG  14           HE       ARG  14 -35.837   3.157  -0.461
  107   1HH1  ARG  14          1HH1      ARG  14 -35.341   1.301  -3.374
  108   2HH1  ARG  14          2HH1      ARG  14 -36.421   1.634  -2.061
  109   1HH2  ARG  14          1HH2      ARG  14 -33.302   2.400  -3.507
  110   2HH2  ARG  14          2HH2      ARG  14 -32.859   3.555  -2.293
  111    H    TYR  15           H        TYR  15 -31.141   5.909   2.883
  112    HA   TYR  15           HA       TYR  15 -30.332   3.280   1.927
  113   1HB   TYR  15          1HB       TYR  15 -28.754   5.831   2.628
  114   2HB   TYR  15          2HB       TYR  15 -28.169   4.510   1.637
  115    HD1  TYR  15           1HD      TYR  15 -30.009   3.973  -0.395
  116    HD2  TYR  15           2HD      TYR  15 -29.227   7.757   1.442
  117    HE1  TYR  15           1HE      TYR  15 -30.856   5.166  -2.474
  118    HE2  TYR  15           2HE      TYR  15 -30.077   8.937  -0.643
  119    HH   TYR  15           HH       TYR  15 -30.233   7.755  -3.443
  120    H    TRP  16           H        TRP  16 -31.411   3.020   4.458
  121    HA   TRP  16           HA       TRP  16 -29.017   2.848   6.159
  122   1HB   TRP  16          1HB       TRP  16 -30.583   4.405   7.088
  123   2HB   TRP  16          2HB       TRP  16 -31.914   3.283   6.889
  124    HD1  TRP  16           HD       TRP  16 -32.565   2.286   9.203
  125    HE1  TRP  16           1HE      TRP  16 -31.390   1.501  11.432
  126    HE3  TRP  16           3HE      TRP  16 -27.835   3.435   7.733
  127    HZ2  TRP  16           2HZ      TRP  16 -28.675   1.449  12.310
  128    HZ3  TRP  16           3HZ      TRP  16 -25.979   2.986   9.336
  129    HH2  TRP  16           HH       TRP  16 -26.339   2.028  11.556
  130    H    SER  17           H        SER  17 -32.333   1.361   5.915
  131    HA   SER  17           HA       SER  17 -31.773  -1.013   6.989
  132   1HB   SER  17          1HB       SER  17 -34.004  -0.167   6.110
  133   2HB   SER  17          2HB       SER  17 -33.502  -0.656   4.503
  134    HG   SER  17           HG       SER  17 -33.056  -2.791   6.050
  135    H    ILE  18           H        ILE  18 -31.490  -0.206   3.450
  136    HA   ILE  18           HA       ILE  18 -30.569  -2.615   2.557
  137    HB   ILE  18           HB       ILE  18 -29.920   0.193   1.670
  138   1HG1  ILE  18          1HG1      ILE  18 -31.556  -1.090  -0.194
  139   2HG1  ILE  18          2HG1      ILE  18 -32.203  -1.595   1.354
  140   1HG2  ILE  18          1HG2      ILE  18 -28.777  -2.335   0.797
  141   2HG2  ILE  18          2HG2      ILE  18 -29.619  -1.490  -0.524
  142   3HG2  ILE  18          3HG2      ILE  18 -28.325  -0.665   0.378
  143   1HD1  ILE  18          1HD1      ILE  18 -32.120   1.122   0.127
  144   2HD1  ILE  18          2HD1      ILE  18 -33.319   0.408   1.232
  145   3HD1  ILE  18          3HD1      ILE  18 -31.792   1.059   1.876
  146    H    THR  19           H        THR  19 -28.478   0.205   3.518
  147    HA   THR  19           HA       THR  19 -26.046  -0.920   3.339
  148    HB   THR  19           HB       THR  19 -27.273   0.945   5.421
  149    HG1  THR  19           1HG      THR  19 -26.919   1.348   2.985
  150   1HG2  THR  19          1HG2      THR  19 -24.803  -0.384   5.752
  151   2HG2  THR  19          2HG2      THR  19 -24.368   1.159   4.978
  152   3HG2  THR  19          3HG2      THR  19 -25.270   1.156   6.513
  153    H    GLN  20           H        GLN  20 -28.216  -1.278   6.222
  154    HA   GLN  20           HA       GLN  20 -26.400  -3.143   7.354
  155   1HB   GLN  20          1HB       GLN  20 -29.051  -1.945   8.109
  156   2HB   GLN  20          2HB       GLN  20 -28.600  -3.450   8.885
  157   1HG   GLN  20          1HG       GLN  20 -26.714  -1.057   8.770
  158   2HG   GLN  20          2HG       GLN  20 -27.874  -1.268  10.067
  159   1HE2  GLN  20          1HE2      GLN  20 -26.352  -1.521  11.644
  160   2HE2  GLN  20          2HE2      GLN  20 -25.348  -2.922  11.812
  161    H    ALA  21           H        ALA  21 -26.692  -4.265   4.986
  162    HA   ALA  21           HA       ALA  21 -27.787  -6.765   5.488
  163   1HB   ALA  21          1HB       ALA  21 -29.664  -4.759   4.386
  164   2HB   ALA  21          2HB       ALA  21 -29.577  -6.276   3.459
  165   3HB   ALA  21          3HB       ALA  21 -29.992  -6.313   5.190
  166    H    ILE  22           H        ILE  22 -27.129  -4.229   3.002
  167    HA   ILE  22           HA       ILE  22 -26.493  -5.918   0.913
  168    HB   ILE  22           HB       ILE  22 -26.735  -3.301   1.171
  169   1HG1  ILE  22          1HG1      ILE  22 -24.847  -4.348  -0.937
  170   2HG1  ILE  22          2HG1      ILE  22 -26.530  -4.837  -0.902
  171   1HG2  ILE  22          1HG2      ILE  22 -24.768  -2.886   2.479
  172   2HG2  ILE  22          2HG2      ILE  22 -23.741  -3.739   1.302
  173   3HG2  ILE  22          3HG2      ILE  22 -24.519  -2.202   0.855
  174   1HD1  ILE  22          1HD1      ILE  22 -26.243  -1.929  -0.562
  175   2HD1  ILE  22          2HD1      ILE  22 -25.517  -2.508  -2.081
  176   3HD1  ILE  22          3HD1      ILE  22 -27.230  -2.841  -1.730
  177    H    GLU  23           H        GLU  23 -24.486  -4.726   3.658
  178    HA   GLU  23           HA       GLU  23 -22.127  -5.866   2.677
  179   1HB   GLU  23          1HB       GLU  23 -22.333  -4.015   4.409
  180   2HB   GLU  23          2HB       GLU  23 -22.824  -5.227   5.575
  181   1HG   GLU  23          1HG       GLU  23 -20.640  -6.481   4.996
  182   2HG   GLU  23          2HG       GLU  23 -20.152  -5.045   4.118
  183    H    TYR  24           H        TYR  24 -24.930  -7.136   4.376
  184    HA   TYR  24           HA       TYR  24 -23.819  -9.298   5.698
  185   1HB   TYR  24          1HB       TYR  24 -26.274  -8.197   5.380
  186   2HB   TYR  24          2HB       TYR  24 -26.426  -9.390   4.106
  187    HD1  TYR  24           1HD      TYR  24 -26.551 -11.785   4.626
  188    HD2  TYR  24           2HD      TYR  24 -26.214  -8.863   7.733
  189    HE1  TYR  24           1HE      TYR  24 -27.245 -13.524   6.347
  190    HE2  TYR  24           2HE      TYR  24 -26.909 -10.612   9.443
  191    HH   TYR  24           HH       TYR  24 -28.463 -13.201   8.841
  192    H    ASN  25           H        ASN  25 -24.747  -8.882   2.246
  193    HA   ASN  25           HA       ASN  25 -23.431 -11.438   1.777
  194   1HB   ASN  25          1HB       ASN  25 -26.128 -10.475   0.930
  195   2HB   ASN  25          2HB       ASN  25 -25.183 -11.173  -0.370
  196   1HD2  ASN  25          1HD2      ASN  25 -26.945 -11.719   2.520
  197   2HD2  ASN  25          2HD2      ASN  25 -26.829 -13.446   2.592
  198    H    LEU  26           H        LEU  26 -21.550  -9.840   1.464
  199    HA   LEU  26           HA       LEU  26 -21.730  -8.582  -1.186
  200   1HB   LEU  26          1HB       LEU  26 -21.635  -6.932   0.603
  201   2HB   LEU  26          2HB       LEU  26 -20.186  -7.677   1.248
  202    HG   LEU  26           HG       LEU  26 -19.256  -7.183  -1.196
  203   1HD1  LEU  26          1HD1      LEU  26 -20.594  -5.987  -2.497
  204   2HD1  LEU  26          2HD1      LEU  26 -21.793  -5.824  -1.191
  205   3HD1  LEU  26          3HD1      LEU  26 -20.469  -4.644  -1.336
  206   1HD2  LEU  26          1HD2      LEU  26 -19.497  -5.004   0.895
  207   2HD2  LEU  26          2HD2      LEU  26 -18.357  -6.369   0.970
  208   3HD2  LEU  26          3HD2      LEU  26 -18.231  -5.177  -0.345
  209    H    LYS  27           H        LYS  27 -19.210  -9.666   1.204
  210    HA   LYS  27           HA       LYS  27 -18.094 -11.315  -0.937
  211   1HB   LYS  27          1HB       LYS  27 -16.987  -8.923  -0.487
  212   2HB   LYS  27          2HB       LYS  27 -16.190  -9.805   0.800
  213   1HG   LYS  27          1HG       LYS  27 -15.040 -11.211  -0.670
  214   2HG   LYS  27          2HG       LYS  27 -16.281 -11.121  -1.905
  215   1HD   LYS  27          1HD       LYS  27 -15.546  -8.985  -2.672
  216   2HD   LYS  27          2HD       LYS  27 -14.665  -8.651  -1.194
  217   1HE   LYS  27          1HE       LYS  27 -13.183 -10.711  -1.832
  218   2HE   LYS  27          2HE       LYS  27 -13.911 -10.583  -3.421
  219   1HZ   LYS  27          1HZ       LYS  27 -12.022  -9.278  -3.505
  220   2HZ   LYS  27          2HZ       LYS  27 -13.212  -8.178  -3.301
  221   3HZ   LYS  27          3HZ       LYS  27 -12.265  -8.600  -2.039
  222    H    ARG  28           H        ARG  28 -19.602 -12.693   0.593
  223    HA   ARG  28           HA       ARG  28 -18.057 -13.449   2.929
  224   1HB   ARG  28          1HB       ARG  28 -20.927 -13.324   2.287
  225   2HB   ARG  28          2HB       ARG  28 -20.494 -14.899   2.923
  226   1HG   ARG  28          1HG       ARG  28 -19.174 -13.483   4.751
  227   2HG   ARG  28          2HG       ARG  28 -20.243 -12.188   4.248
  228   1HD   ARG  28          1HD       ARG  28 -22.197 -13.340   4.958
  229   2HD   ARG  28          2HD       ARG  28 -21.412 -14.907   4.912
  230    HE   ARG  28           HE       ARG  28 -20.541 -14.527   7.063
  231   1HH1  ARG  28          1HH1      ARG  28 -20.823 -11.726   9.125
  232   2HH1  ARG  28          2HH1      ARG  28 -20.348 -13.389   9.035
  233   1HH2  ARG  28          1HH2      ARG  28 -21.655 -10.653   7.242
  234   2HH2  ARG  28          2HH2      ARG  28 -21.802 -11.517   5.748
  235    H    THR  29           H        THR  29 -18.251 -15.967   3.426
  236    HA   THR  29           HA       THR  29 -17.690 -18.038   2.844
  237    HB   THR  29           HB       THR  29 -19.327 -17.291   0.365
  238    HG1  THR  29           1HG      THR  29 -20.826 -17.474   1.986
  239   1HG2  THR  29          1HG2      THR  29 -19.580 -19.641  -0.061
  240   2HG2  THR  29          2HG2      THR  29 -17.831 -19.430   0.195
  241   3HG2  THR  29          3HG2      THR  29 -18.850 -20.081   1.501
  242    HA   PRO  30           HA       PRO  30 -14.222 -16.532   0.363
  243   1HB   PRO  30          1HB       PRO  30 -12.287 -16.638   2.290
  244   2HB   PRO  30          2HB       PRO  30 -13.163 -15.174   1.891
  245   1HG   PRO  30          1HG       PRO  30 -13.475 -16.937   4.243
  246   2HG   PRO  30          2HG       PRO  30 -14.015 -15.284   4.031
  247   1HD   PRO  30          1HD       PRO  30 -15.635 -17.648   3.909
  248   2HD   PRO  30          2HD       PRO  30 -16.152 -16.006   3.583
  249    H    ARG  31           H        ARG  31 -11.880 -17.601   0.165
  250    HA   ARG  31           HA       ARG  31 -12.585 -20.403   0.022
  251   1HB   ARG  31          1HB       ARG  31 -10.487 -20.504  -1.464
  252   2HB   ARG  31          2HB       ARG  31 -11.812 -19.546  -2.093
  253   1HG   ARG  31          1HG       ARG  31 -10.014 -17.961  -0.370
  254   2HG   ARG  31          2HG       ARG  31  -9.167 -18.675  -1.728
  255   1HD   ARG  31          1HD       ARG  31 -11.780 -17.126  -2.043
  256   2HD   ARG  31          2HD       ARG  31 -10.206 -16.363  -2.152
  257    HE   ARG  31           HE       ARG  31 -11.460 -18.001  -4.183
  258   1HH1  ARG  31          1HH1      ARG  31  -8.597 -18.261  -6.161
  259   2HH1  ARG  31          2HH1      ARG  31 -10.316 -18.466  -6.106
  260   1HH2  ARG  31          1HH2      ARG  31  -7.456 -17.516  -4.282
  261   2HH2  ARG  31          2HH2      ARG  31  -8.323 -17.163  -2.825
  262    H    ARG  32           H        ARG  32 -11.673 -21.868   1.443
  263    HA   ARG  32           HA       ARG  32  -9.482 -20.853   3.052
  264   1HB   ARG  32          1HB       ARG  32 -11.877 -22.393   3.633
  265   2HB   ARG  32          2HB       ARG  32 -10.480 -23.354   4.076
  266   1HG   ARG  32          1HG       ARG  32  -9.610 -21.161   5.238
  267   2HG   ARG  32          2HG       ARG  32 -11.264 -20.601   5.096
  268   1HD   ARG  32          1HD       ARG  32 -12.066 -22.609   6.344
  269   2HD   ARG  32          2HD       ARG  32 -10.423 -23.207   6.458
  270    HE   ARG  32           HE       ARG  32  -9.946 -21.591   8.113
  271   1HH1  ARG  32          1HH1      ARG  32 -12.082 -19.242   9.563
  272   2HH1  ARG  32          2HH1      ARG  32 -10.546 -20.036   9.676
  273   1HH2  ARG  32          1HH2      ARG  32 -13.530 -19.760   7.825
  274   2HH2  ARG  32          2HH2      ARG  32 -13.075 -20.939   6.640
  Start of MODEL    7
    1    H    THR   1           H        THR   1 -28.353  25.341   1.219
    2    HA   THR   1           HA       THR   1 -26.766  24.781   2.676
    3    HB   THR   1           HB       THR   1 -27.635  27.453   3.863
    4    HG1  THR   1           1HG      THR   1 -25.727  28.020   2.733
    5   1HG2  THR   1          1HG2      THR   1 -26.466  26.975   5.769
    6   2HG2  THR   1          2HG2      THR   1 -26.038  25.362   5.149
    7   3HG2  THR   1          3HG2      THR   1 -25.020  26.767   4.752
    8    H    SER   2           H        SER   2 -29.584  26.070   4.568
    9    HA   SER   2           HA       SER   2 -29.311  23.752   6.269
   10   1HB   SER   2          1HB       SER   2 -30.106  26.456   6.671
   11   2HB   SER   2          2HB       SER   2 -31.547  25.496   6.940
   12    HG   SER   2           HG       SER   2 -30.700  24.644   8.734
   13    H    SER   3           H        SER   3 -30.471  24.018   3.329
   14    HA   SER   3           HA       SER   3 -33.094  22.914   3.923
   15   1HB   SER   3          1HB       SER   3 -32.119  24.729   1.918
   16   2HB   SER   3          2HB       SER   3 -32.650  23.277   1.092
   17    HG   SER   3           HG       SER   3 -34.703  23.466   2.285
   18    H    ILE   4           H        ILE   4 -29.879  22.247   2.609
   19    HA   ILE   4           HA       ILE   4 -30.642  19.845   1.269
   20    HB   ILE   4           HB       ILE   4 -27.994  21.066   2.032
   21   1HG1  ILE   4          1HG1      ILE   4 -29.047  20.659  -0.756
   22   2HG1  ILE   4          2HG1      ILE   4 -29.602  22.021   0.197
   23   1HG2  ILE   4          1HG2      ILE   4 -28.588  18.456   0.636
   24   2HG2  ILE   4          2HG2      ILE   4 -27.057  19.336   0.414
   25   3HG2  ILE   4          3HG2      ILE   4 -27.526  18.760   2.031
   26   1HD1  ILE   4          1HD1      ILE   4 -27.022  22.406   0.665
   27   2HD1  ILE   4          2HD1      ILE   4 -26.813  21.410  -0.795
   28   3HD1  ILE   4          3HD1      ILE   4 -27.730  22.934  -0.881
   29    H    VAL   5           H        VAL   5 -28.661  20.519   4.246
   30    HA   VAL   5           HA       VAL   5 -28.314  18.015   5.144
   31    HB   VAL   5           HB       VAL   5 -29.009  20.523   6.676
   32   1HG1  VAL   5          1HG1      VAL   5 -28.501  17.774   7.628
   33   2HG1  VAL   5          2HG1      VAL   5 -27.510  19.030   8.407
   34   3HG1  VAL   5          3HG1      VAL   5 -29.286  19.148   8.443
   35   1HG2  VAL   5          1HG2      VAL   5 -26.567  19.425   5.427
   36   2HG2  VAL   5          2HG2      VAL   5 -26.999  21.104   5.831
   37   3HG2  VAL   5          3HG2      VAL   5 -26.355  20.023   7.090
   38    H    HIS   6           H        HIS   6 -31.197  20.065   6.001
   39    HA   HIS   6           HA       HIS   6 -32.608  18.279   7.411
   40   1HB   HIS   6          1HB       HIS   6 -33.124  20.715   6.593
   41   2HB   HIS   6          2HB       HIS   6 -34.006  19.913   5.309
   42    HD1  HIS   6           1HD      HIS   6 -34.741  21.463   8.332
   43    HD2  HIS   6           2HD      HIS   6 -35.735  17.691   6.789
   44    HE1  HIS   6           1HE      HIS   6 -36.805  20.686   9.616
   45    HE2  HIS   6           2HE      HIS   6 -37.401  18.388   8.586
   46    H    LEU   7           H        LEU   7 -32.833  18.626   3.794
   47    HA   LEU   7           HA       LEU   7 -34.461  16.402   3.439
   48   1HB   LEU   7          1HB       LEU   7 -33.336  18.399   1.879
   49   2HB   LEU   7          2HB       LEU   7 -32.620  16.931   1.243
   50    HG   LEU   7           HG       LEU   7 -35.585  17.007   1.668
   51   1HD1  LEU   7          1HD1      LEU   7 -35.928  17.997  -0.550
   52   2HD1  LEU   7          2HD1      LEU   7 -35.135  19.133   0.567
   53   3HD1  LEU   7          3HD1      LEU   7 -34.179  18.302  -0.684
   54   1HD2  LEU   7          1HD2      LEU   7 -34.804  15.853  -0.804
   55   2HD2  LEU   7          2HD2      LEU   7 -33.681  15.259   0.443
   56   3HD2  LEU   7          3HD2      LEU   7 -35.436  15.045   0.650
   57    H    CYS   8           H        CYS   8 -30.876  16.756   3.538
   58    HA   CYS   8           HA       CYS   8 -30.189  14.248   2.702
   59   1HB   CYS   8          1HB       CYS   8 -28.658  16.202   3.237
   60   2HB   CYS   8          2HB       CYS   8 -28.780  15.750   4.926
   61    HG   CYS   8           HG       CYS   8 -26.526  14.843   3.975
   62    H    ALA   9           H        ALA   9 -31.705  15.366   5.702
   63    HA   ALA   9           HA       ALA   9 -31.060  13.317   7.426
   64   1HB   ALA   9          1HB       ALA   9 -32.380  15.521   7.775
   65   2HB   ALA   9          2HB       ALA   9 -33.807  14.582   7.274
   66   3HB   ALA   9          3HB       ALA   9 -32.881  14.094   8.713
   67    H    ILE  10           H        ILE  10 -33.464  13.470   4.763
   68    HA   ILE  10           HA       ILE  10 -34.512  10.878   5.444
   69    HB   ILE  10           HB       ILE  10 -35.038  12.894   3.278
   70   1HG1  ILE  10          1HG1      ILE  10 -37.401  12.211   4.559
   71   2HG1  ILE  10          2HG1      ILE  10 -36.224  12.165   5.857
   72   1HG2  ILE  10          1HG2      ILE  10 -35.756  11.311   1.900
   73   2HG2  ILE  10          2HG2      ILE  10 -35.434  10.040   3.105
   74   3HG2  ILE  10          3HG2      ILE  10 -36.999  10.890   3.103
   75   1HD1  ILE  10          1HD1      ILE  10 -37.275  14.479   4.368
   76   2HD1  ILE  10          2HD1      ILE  10 -36.461  14.425   5.950
   77   3HD1  ILE  10          3HD1      ILE  10 -35.497  14.472   4.454
   78    H    SER  11           H        SER  11 -32.645  12.324   2.681
   79    HA   SER  11           HA       SER  11 -32.262  10.124   1.221
   80   1HB   SER  11          1HB       SER  11 -30.318  12.375   1.867
   81   2HB   SER  11          2HB       SER  11 -29.962  11.160   0.655
   82    HG   SER  11           HG       SER  11 -31.580  13.376   0.465
   83    H    LEU  12           H        LEU  12 -30.480  11.090   4.207
   84    HA   LEU  12           HA       LEU  12 -28.523   9.130   4.132
   85   1HB   LEU  12          1HB       LEU  12 -28.178  10.847   5.627
   86   2HB   LEU  12          2HB       LEU  12 -29.809  10.782   6.263
   87    HG   LEU  12           HG       LEU  12 -29.255   8.634   7.397
   88   1HD1  LEU  12          1HD1      LEU  12 -26.400   8.834   7.382
   89   2HD1  LEU  12          2HD1      LEU  12 -27.437   7.472   6.894
   90   3HD1  LEU  12          3HD1      LEU  12 -26.982   8.715   5.704
   91   1HD2  LEU  12          1HD2      LEU  12 -27.924   9.624   9.186
   92   2HD2  LEU  12          2HD2      LEU  12 -27.446  10.959   8.110
   93   3HD2  LEU  12          3HD2      LEU  12 -29.149  10.770   8.592
   94    H    ASP  13           H        ASP  13 -31.668   9.088   5.962
   95    HA   ASP  13           HA       ASP  13 -31.533   6.610   6.939
   96   1HB   ASP  13          1HB       ASP  13 -33.522   8.545   6.579
   97   2HB   ASP  13          2HB       ASP  13 -34.173   7.168   5.713
   98    H    ARG  14           H        ARG  14 -32.840   7.601   3.685
   99    HA   ARG  14           HA       ARG  14 -33.698   5.305   2.712
  100   1HB   ARG  14          1HB       ARG  14 -32.489   7.736   1.584
  101   2HB   ARG  14          2HB       ARG  14 -32.157   6.348   0.567
  102   1HG   ARG  14          1HG       ARG  14 -34.392   6.022   0.026
  103   2HG   ARG  14          2HG       ARG  14 -34.967   6.581   1.584
  104   1HD   ARG  14          1HD       ARG  14 -34.044   8.942   0.755
  105   2HD   ARG  14          2HD       ARG  14 -34.168   8.218  -0.836
  106    HE   ARG  14           HE       ARG  14 -36.381   9.039   0.874
  107   1HH1  ARG  14          1HH1      ARG  14 -38.818   7.728  -1.253
  108   2HH1  ARG  14          2HH1      ARG  14 -38.513   8.770   0.096
  109   1HH2  ARG  14          1HH2      ARG  14 -37.060   6.604  -2.271
  110   2HH2  ARG  14          2HH2      ARG  14 -35.445   6.808  -1.681
  111    H    TYR  15           H        TYR  15 -30.237   6.346   2.903
  112    HA   TYR  15           HA       TYR  15 -29.309   3.905   1.703
  113   1HB   TYR  15          1HB       TYR  15 -27.997   6.218   3.265
  114   2HB   TYR  15          2HB       TYR  15 -27.092   5.012   2.371
  115    HD1  TYR  15           1HD      TYR  15 -28.193   8.275   2.229
  116    HD2  TYR  15           2HD      TYR  15 -28.059   4.757  -0.202
  117    HE1  TYR  15           1HE      TYR  15 -28.340   9.708   0.134
  118    HE2  TYR  15           2HE      TYR  15 -28.206   6.202  -2.289
  119    HH   TYR  15           HH       TYR  15 -27.447   8.897  -2.668
  120    H    TRP  16           H        TRP  16 -29.847   5.220   4.973
  121    HA   TRP  16           HA       TRP  16 -28.202   3.618   6.460
  122   1HB   TRP  16          1HB       TRP  16 -29.475   5.432   7.405
  123   2HB   TRP  16          2HB       TRP  16 -30.989   4.621   7.056
  124    HD1  TRP  16           HD       TRP  16 -31.973   3.662   9.267
  125    HE1  TRP  16           1HE      TRP  16 -31.126   2.506  11.483
  126    HE3  TRP  16           3HE      TRP  16 -27.028   3.844   8.095
  127    HZ2  TRP  16           2HZ      TRP  16 -28.542   1.812  12.475
  128    HZ3  TRP  16           3HZ      TRP  16 -25.409   2.906   9.742
  129    HH2  TRP  16           HH       TRP  16 -26.096   1.915  11.869
  130    H    SER  17           H        SER  17 -31.636   2.959   5.438
  131    HA   SER  17           HA       SER  17 -31.338   0.241   6.265
  132   1HB   SER  17          1HB       SER  17 -33.483   1.976   6.060
  133   2HB   SER  17          2HB       SER  17 -33.707   0.985   4.632
  134    HG   SER  17           HG       SER  17 -33.786  -0.894   5.920
  135    H    ILE  18           H        ILE  18 -29.361   0.503   4.481
  136    HA   ILE  18           HA       ILE  18 -30.287  -1.095   2.267
  137    HB   ILE  18           HB       ILE  18 -29.275   1.705   1.940
  138   1HG1  ILE  18          1HG1      ILE  18 -31.532   0.061   0.782
  139   2HG1  ILE  18          2HG1      ILE  18 -31.638   1.490   1.790
  140   1HG2  ILE  18          1HG2      ILE  18 -27.666   0.284   0.746
  141   2HG2  ILE  18          2HG2      ILE  18 -29.006  -0.485  -0.139
  142   3HG2  ILE  18          3HG2      ILE  18 -28.664   1.246  -0.371
  143   1HD1  ILE  18          1HD1      ILE  18 -30.300   2.674  -0.147
  144   2HD1  ILE  18          2HD1      ILE  18 -30.837   1.286  -1.123
  145   3HD1  ILE  18          3HD1      ILE  18 -32.038   2.357  -0.363
  146    H    THR  19           H        THR  19 -27.472   0.835   3.523
  147    HA   THR  19           HA       THR  19 -25.577  -1.072   2.634
  148    HB   THR  19           HB       THR  19 -25.589   1.325   4.517
  149    HG1  THR  19           1HG      THR  19 -24.814   2.202   2.607
  150   1HG2  THR  19          1HG2      THR  19 -23.066  -0.073   3.554
  151   2HG2  THR  19          2HG2      THR  19 -23.240   1.138   4.846
  152   3HG2  THR  19          3HG2      THR  19 -23.799  -0.532   5.110
  153    H    GLN  20           H        GLN  20 -27.420  -0.626   5.664
  154    HA   GLN  20           HA       GLN  20 -25.873  -2.654   6.950
  155   1HB   GLN  20          1HB       GLN  20 -26.873  -0.659   8.144
  156   2HB   GLN  20          2HB       GLN  20 -28.466  -1.333   7.862
  157   1HG   GLN  20          1HG       GLN  20 -27.894  -2.075  10.052
  158   2HG   GLN  20          2HG       GLN  20 -27.620  -3.476   9.036
  159   1HE2  GLN  20          1HE2      GLN  20 -26.466  -2.486  11.629
  160   2HE2  GLN  20          2HE2      GLN  20 -24.746  -2.548  11.436
  161    H    ALA  21           H        ALA  21 -26.669  -3.888   4.714
  162    HA   ALA  21           HA       ALA  21 -28.126  -6.070   5.603
  163   1HB   ALA  21          1HB       ALA  21 -29.734  -4.040   4.006
  164   2HB   ALA  21          2HB       ALA  21 -30.208  -5.744   4.209
  165   3HB   ALA  21          3HB       ALA  21 -30.098  -4.676   5.628
  166    H    ILE  22           H        ILE  22 -27.193  -3.915   2.887
  167    HA   ILE  22           HA       ILE  22 -27.204  -5.922   0.922
  168    HB   ILE  22           HB       ILE  22 -27.088  -3.277   0.858
  169   1HG1  ILE  22          1HG1      ILE  22 -25.715  -4.851  -1.323
  170   2HG1  ILE  22          2HG1      ILE  22 -27.427  -5.036  -0.994
  171   1HG2  ILE  22          1HG2      ILE  22 -24.197  -4.013   0.351
  172   2HG2  ILE  22          2HG2      ILE  22 -24.940  -2.397   0.308
  173   3HG2  ILE  22          3HG2      ILE  22 -24.787  -3.264   1.854
  174   1HD1  ILE  22          1HD1      ILE  22 -26.325  -3.108  -2.653
  175   2HD1  ILE  22          2HD1      ILE  22 -27.947  -3.019  -1.926
  176   3HD1  ILE  22          3HD1      ILE  22 -26.574  -2.203  -1.141
  177    H    GLU  23           H        GLU  23 -24.728  -4.722   3.240
  178    HA   GLU  23           HA       GLU  23 -22.712  -6.354   2.115
  179   1HB   GLU  23          1HB       GLU  23 -22.943  -4.317   4.182
  180   2HB   GLU  23          2HB       GLU  23 -22.007  -5.670   4.786
  181   1HG   GLU  23          1HG       GLU  23 -20.394  -5.497   3.018
  182   2HG   GLU  23          2HG       GLU  23 -21.444  -4.490   2.040
  183    H    TYR  24           H        TYR  24 -25.284  -6.759   4.486
  184    HA   TYR  24           HA       TYR  24 -24.157  -8.893   5.935
  185   1HB   TYR  24          1HB       TYR  24 -26.824  -7.584   5.352
  186   2HB   TYR  24          2HB       TYR  24 -26.917  -9.215   5.987
  187    HD1  TYR  24           1HD      TYR  24 -26.301  -5.732   6.766
  188    HD2  TYR  24           2HD      TYR  24 -25.895  -9.727   8.242
  189    HE1  TYR  24           1HE      TYR  24 -26.009  -4.837   9.127
  190    HE2  TYR  24           2HE      TYR  24 -25.605  -8.819  10.599
  191    HH   TYR  24           HH       TYR  24 -26.015  -5.388  11.271
  192    H    ASN  25           H        ASN  25 -26.022  -8.678   2.879
  193    HA   ASN  25           HA       ASN  25 -25.610 -11.554   2.631
  194   1HB   ASN  25          1HB       ASN  25 -28.045  -9.871   2.206
  195   2HB   ASN  25          2HB       ASN  25 -27.728 -11.015   0.917
  196   1HD2  ASN  25          1HD2      ASN  25 -28.933 -10.534   4.036
  197   2HD2  ASN  25          2HD2      ASN  25 -29.228 -12.177   4.499
  198    H    LEU  26           H        LEU  26 -23.516 -10.738   1.587
  199    HA   LEU  26           HA       LEU  26 -24.046  -9.945  -1.187
  200   1HB   LEU  26          1HB       LEU  26 -23.129  -8.132   0.410
  201   2HB   LEU  26          2HB       LEU  26 -21.624  -9.026   0.334
  202    HG   LEU  26           HG       LEU  26 -22.874  -8.360  -2.278
  203   1HD1  LEU  26          1HD1      LEU  26 -21.332  -6.083  -1.535
  204   2HD1  LEU  26          2HD1      LEU  26 -23.046  -6.168  -2.008
  205   3HD1  LEU  26          3HD1      LEU  26 -22.586  -6.333  -0.296
  206   1HD2  LEU  26          1HD2      LEU  26 -20.632  -8.143  -3.010
  207   2HD2  LEU  26          2HD2      LEU  26 -20.019  -8.015  -1.344
  208   3HD2  LEU  26          3HD2      LEU  26 -20.675  -9.561  -1.934
  209    H    LYS  27           H        LYS  27 -21.238 -10.994   0.871
  210    HA   LYS  27           HA       LYS  27 -21.007 -13.327  -0.876
  211   1HB   LYS  27          1HB       LYS  27 -19.468 -11.309  -1.499
  212   2HB   LYS  27          2HB       LYS  27 -18.551 -11.779  -0.082
  213   1HG   LYS  27          1HG       LYS  27 -18.242 -14.056  -0.971
  214   2HG   LYS  27          2HG       LYS  27 -19.292 -13.708  -2.331
  215   1HD   LYS  27          1HD       LYS  27 -17.053 -13.473  -3.165
  216   2HD   LYS  27          2HD       LYS  27 -17.665 -11.840  -2.989
  217   1HE   LYS  27          1HE       LYS  27 -16.216 -11.330  -1.266
  218   2HE   LYS  27          2HE       LYS  27 -16.323 -12.929  -0.557
  219   1HZ   LYS  27          1HZ       LYS  27 -14.686 -12.087  -2.829
  220   2HZ   LYS  27          2HZ       LYS  27 -14.200 -12.776  -1.431
  221   3HZ   LYS  27          3HZ       LYS  27 -14.995 -13.665  -2.547
  222    H    ARG  28           H        ARG  28 -22.269 -13.929   1.247
  223    HA   ARG  28           HA       ARG  28 -20.529 -14.183   3.497
  224   1HB   ARG  28          1HB       ARG  28 -23.404 -14.334   2.969
  225   2HB   ARG  28          2HB       ARG  28 -22.897 -15.722   3.912
  226   1HG   ARG  28          1HG       ARG  28 -21.830 -14.233   5.586
  227   2HG   ARG  28          2HG       ARG  28 -22.234 -12.825   4.624
  228   1HD   ARG  28          1HD       ARG  28 -24.060 -12.781   6.047
  229   2HD   ARG  28          2HD       ARG  28 -24.725 -13.851   4.830
  230    HE   ARG  28           HE       ARG  28 -23.403 -15.586   6.542
  231   1HH1  ARG  28          1HH1      ARG  28 -25.707 -15.880   9.146
  232   2HH1  ARG  28          2HH1      ARG  28 -24.350 -16.607   8.354
  233   1HH2  ARG  28          1HH2      ARG  28 -26.566 -13.869   8.367
  234   2HH2  ARG  28          2HH2      ARG  28 -25.848 -13.096   6.993
  235    H    THR  29           H        THR  29 -20.252 -16.387   4.591
  236    HA   THR  29           HA       THR  29 -19.970 -18.470   2.527
  237    HB   THR  29           HB       THR  29 -18.077 -19.261   3.972
  238    HG1  THR  29           1HG      THR  29 -18.053 -18.382   6.005
  239   1HG2  THR  29          1HG2      THR  29 -17.902 -17.143   2.287
  240   2HG2  THR  29          2HG2      THR  29 -17.590 -16.290   3.818
  241   3HG2  THR  29          3HG2      THR  29 -16.534 -17.632   3.315
  242    HA   PRO  30           HA       PRO  30 -22.567 -21.037   4.777
  243   1HB   PRO  30          1HB       PRO  30 -21.571 -23.528   4.257
  244   2HB   PRO  30          2HB       PRO  30 -22.568 -22.638   3.123
  245   1HG   PRO  30          1HG       PRO  30 -19.650 -23.110   3.053
  246   2HG   PRO  30          2HG       PRO  30 -20.713 -22.609   1.753
  247   1HD   PRO  30          1HD       PRO  30 -18.905 -20.943   3.230
  248   2HD   PRO  30          2HD       PRO  30 -20.050 -20.422   2.010
  249    H    ARG  31           H        ARG  31 -21.930 -20.010   6.808
  250    HA   ARG  31           HA       ARG  31 -20.658 -22.078   8.397
  251   1HB   ARG  31          1HB       ARG  31 -19.382 -20.373   9.654
  252   2HB   ARG  31          2HB       ARG  31 -18.982 -20.276   7.951
  253   1HG   ARG  31          1HG       ARG  31 -19.401 -18.037   8.251
  254   2HG   ARG  31          2HG       ARG  31 -21.067 -18.520   7.999
  255   1HD   ARG  31          1HD       ARG  31 -21.182 -17.270  10.007
  256   2HD   ARG  31          2HD       ARG  31 -21.145 -18.924  10.584
  257    HE   ARG  31           HE       ARG  31 -18.466 -17.807  10.317
  258   1HH1  ARG  31          1HH1      ARG  31 -18.088 -17.287  13.747
  259   2HH1  ARG  31          2HH1      ARG  31 -17.277 -17.368  12.218
  260   1HH2  ARG  31          1HH2      ARG  31 -20.381 -17.625  13.864
  261   2HH2  ARG  31          2HH2      ARG  31 -21.282 -17.958  12.422
  262    H    ARG  32           H        ARG  32 -21.406 -22.154  10.638
  263    HA   ARG  32           HA       ARG  32 -23.597 -20.342  11.202
  264   1HB   ARG  32          1HB       ARG  32 -23.664 -23.360  11.103
  265   2HB   ARG  32          2HB       ARG  32 -24.611 -22.571  12.349
  266   1HG   ARG  32          1HG       ARG  32 -25.584 -21.081  10.465
  267   2HG   ARG  32          2HG       ARG  32 -24.837 -22.192   9.333
  268   1HD   ARG  32          1HD       ARG  32 -26.564 -23.335  11.538
  269   2HD   ARG  32          2HD       ARG  32 -27.353 -22.565  10.176
  270    HE   ARG  32           HE       ARG  32 -26.604 -24.302   8.754
  271   1HH1  ARG  32          1HH1      ARG  32 -24.870 -27.209   9.602
  272   2HH1  ARG  32          2HH1      ARG  32 -25.782 -26.400   8.372
  273   1HH2  ARG  32          1HH2      ARG  32 -24.481 -26.163  11.637
  274   2HH2  ARG  32          2HH2      ARG  32 -25.104 -24.573  11.926
  Start of MODEL    8
    1    H    THR   1           H        THR   1 -28.464  27.500   2.932
    2    HA   THR   1           HA       THR   1 -27.034  25.798   3.364
    3    HB   THR   1           HB       THR   1 -25.906  27.864   4.133
    4    HG1  THR   1           1HG      THR   1 -24.411  26.491   5.034
    5   1HG2  THR   1          1HG2      THR   1 -26.032  28.674   6.369
    6   2HG2  THR   1          2HG2      THR   1 -27.730  28.291   5.997
    7   3HG2  THR   1          3HG2      THR   1 -26.754  27.162   6.969
    8    H    SER   2           H        SER   2 -28.919  26.590   6.343
    9    HA   SER   2           HA       SER   2 -28.496  23.895   7.244
   10   1HB   SER   2          1HB       SER   2 -29.503  26.445   8.407
   11   2HB   SER   2          2HB       SER   2 -30.292  25.005   9.017
   12    HG   SER   2           HG       SER   2 -27.773  24.309   9.073
   13    H    SER   3           H        SER   3 -30.574  25.490   5.104
   14    HA   SER   3           HA       SER   3 -32.858  23.865   5.824
   15   1HB   SER   3          1HB       SER   3 -33.111  26.329   5.290
   16   2HB   SER   3          2HB       SER   3 -32.608  25.986   3.647
   17    HG   SER   3           HG       SER   3 -34.844  25.929   3.599
   18    H    ILE   4           H        ILE   4 -30.338  22.692   4.742
   19    HA   ILE   4           HA       ILE   4 -31.532  21.426   2.396
   20    HB   ILE   4           HB       ILE   4 -28.911  22.856   2.537
   21   1HG1  ILE   4          1HG1      ILE   4 -30.344  22.676  -0.009
   22   2HG1  ILE   4          2HG1      ILE   4 -31.339  23.336   1.274
   23   1HG2  ILE   4          1HG2      ILE   4 -29.411  20.233   1.229
   24   2HG2  ILE   4          2HG2      ILE   4 -28.539  21.462   0.282
   25   3HG2  ILE   4          3HG2      ILE   4 -27.905  20.941   1.861
   26   1HD1  ILE   4          1HD1      ILE   4 -29.572  24.999   1.817
   27   2HD1  ILE   4          2HD1      ILE   4 -28.547  24.323   0.528
   28   3HD1  ILE   4          3HD1      ILE   4 -30.079  25.128   0.116
   29    H    VAL   5           H        VAL   5 -28.590  21.373   4.538
   30    HA   VAL   5           HA       VAL   5 -27.945  18.777   4.379
   31    HB   VAL   5           HB       VAL   5 -27.995  20.664   6.725
   32   1HG1  VAL   5          1HG1      VAL   5 -26.146  18.822   7.473
   33   2HG1  VAL   5          2HG1      VAL   5 -27.835  18.824   8.036
   34   3HG1  VAL   5          3HG1      VAL   5 -27.348  17.771   6.687
   35   1HG2  VAL   5          1HG2      VAL   5 -25.451  20.456   6.277
   36   2HG2  VAL   5          2HG2      VAL   5 -25.937  19.765   4.711
   37   3HG2  VAL   5          3HG2      VAL   5 -26.439  21.416   5.150
   38    H    HIS   6           H        HIS   6 -30.339  20.105   6.777
   39    HA   HIS   6           HA       HIS   6 -31.140  17.846   7.946
   40   1HB   HIS   6          1HB       HIS   6 -31.986  20.361   8.030
   41   2HB   HIS   6          2HB       HIS   6 -33.277  19.731   7.027
   42    HD1  HIS   6           1HD      HIS   6 -31.705  19.203  10.459
   43    HD2  HIS   6           2HD      HIS   6 -35.238  18.318   8.378
   44    HE1  HIS   6           1HE      HIS   6 -33.326  18.241  12.179
   45    HE2  HIS   6           2HE      HIS   6 -35.497  17.767  10.853
   46    H    LEU   7           H        LEU   7 -32.396  19.083   4.774
   47    HA   LEU   7           HA       LEU   7 -34.118  16.939   4.323
   48   1HB   LEU   7          1HB       LEU   7 -33.775  19.294   3.181
   49   2HB   LEU   7          2HB       LEU   7 -32.775  18.374   2.074
   50    HG   LEU   7           HG       LEU   7 -35.034  16.826   2.151
   51   1HD1  LEU   7          1HD1      LEU   7 -36.594  19.118   1.647
   52   2HD1  LEU   7          2HD1      LEU   7 -36.777  17.932   2.962
   53   3HD1  LEU   7          3HD1      LEU   7 -35.791  19.392   3.212
   54   1HD2  LEU   7          1HD2      LEU   7 -35.515  17.706  -0.060
   55   2HD2  LEU   7          2HD2      LEU   7 -34.511  19.139   0.264
   56   3HD2  LEU   7          3HD2      LEU   7 -33.758  17.529   0.166
   57    H    CYS   8           H        CYS   8 -30.667  17.489   3.393
   58    HA   CYS   8           HA       CYS   8 -30.257  15.339   1.816
   59   1HB   CYS   8          1HB       CYS   8 -28.600  17.145   2.489
   60   2HB   CYS   8          2HB       CYS   8 -28.287  16.221   3.945
   61    HG   CYS   8           HG       CYS   8 -28.401  14.163   1.616
   62    H    ALA   9           H        ALA   9 -30.956  15.475   5.279
   63    HA   ALA   9           HA       ALA   9 -30.131  12.733   5.707
   64   1HB   ALA   9          1HB       ALA   9 -30.507  13.186   7.991
   65   2HB   ALA   9          2HB       ALA   9 -29.913  14.735   7.347
   66   3HB   ALA   9          3HB       ALA   9 -31.654  14.501   7.637
   67    H    ILE  10           H        ILE  10 -31.926  12.739   3.635
   68    HA   ILE  10           HA       ILE  10 -34.239  11.511   4.922
   69    HB   ILE  10           HB       ILE  10 -34.344  13.639   2.787
   70   1HG1  ILE  10          1HG1      ILE  10 -34.198  14.394   5.156
   71   2HG1  ILE  10          2HG1      ILE  10 -35.670  14.882   4.340
   72   1HG2  ILE  10          1HG2      ILE  10 -35.985  12.370   1.908
   73   2HG2  ILE  10          2HG2      ILE  10 -36.212  11.427   3.401
   74   3HG2  ILE  10          3HG2      ILE  10 -36.941  13.044   3.250
   75   1HD1  ILE  10          1HD1      ILE  10 -36.880  12.948   5.374
   76   2HD1  ILE  10          2HD1      ILE  10 -35.386  12.503   6.233
   77   3HD1  ILE  10          3HD1      ILE  10 -36.195  14.047   6.596
   78    H    SER  11           H        SER  11 -32.577  12.209   1.768
   79    HA   SER  11           HA       SER  11 -33.575   9.908   0.557
   80   1HB   SER  11          1HB       SER  11 -32.374  12.112  -0.382
   81   2HB   SER  11          2HB       SER  11 -30.942  11.106  -0.292
   82    HG   SER  11           HG       SER  11 -32.289  11.101  -2.363
   83    H    LEU  12           H        LEU  12 -30.519  10.675   2.318
   84    HA   LEU  12           HA       LEU  12 -29.240   8.243   1.774
   85   1HB   LEU  12          1HB       LEU  12 -28.889  10.092   4.137
   86   2HB   LEU  12          2HB       LEU  12 -27.759   8.866   3.597
   87    HG   LEU  12           HG       LEU  12 -28.581  11.249   1.917
   88   1HD1  LEU  12          1HD1      LEU  12 -25.863  11.378   2.853
   89   2HD1  LEU  12          2HD1      LEU  12 -27.184  12.558   3.036
   90   3HD1  LEU  12          3HD1      LEU  12 -26.978  11.260   4.236
   91   1HD2  LEU  12          1HD2      LEU  12 -26.010   9.878   1.443
   92   2HD2  LEU  12          2HD2      LEU  12 -27.465   8.923   1.069
   93   3HD2  LEU  12          3HD2      LEU  12 -27.216  10.506   0.294
   94    H    ASP  13           H        ASP  13 -31.188   9.357   4.628
   95    HA   ASP  13           HA       ASP  13 -31.004   7.196   6.174
   96   1HB   ASP  13          1HB       ASP  13 -32.494   9.413   6.279
   97   2HB   ASP  13          2HB       ASP  13 -33.753   8.357   5.670
   98    H    ARG  14           H        ARG  14 -32.875   7.618   3.146
   99    HA   ARG  14           HA       ARG  14 -34.573   5.503   3.340
  100   1HB   ARG  14          1HB       ARG  14 -34.222   7.368   1.479
  101   2HB   ARG  14          2HB       ARG  14 -33.207   6.164   0.710
  102   1HG   ARG  14          1HG       ARG  14 -35.282   4.553   1.124
  103   2HG   ARG  14          2HG       ARG  14 -36.181   6.050   1.271
  104   1HD   ARG  14          1HD       ARG  14 -34.858   6.648  -1.006
  105   2HD   ARG  14          2HD       ARG  14 -34.783   4.903  -1.144
  106    HE   ARG  14           HE       ARG  14 -37.120   4.827  -1.464
  107   1HH1  ARG  14          1HH1      ARG  14 -39.406   7.458  -1.624
  108   2HH1  ARG  14          2HH1      ARG  14 -39.152   5.770  -1.915
  109   1HH2  ARG  14          1HH2      ARG  14 -37.683   8.763  -0.777
  110   2HH2  ARG  14          2HH2      ARG  14 -36.143   8.047  -0.435
  111    H    TYR  15           H        TYR  15 -31.109   5.630   2.400
  112    HA   TYR  15           HA       TYR  15 -31.104   2.807   1.733
  113   1HB   TYR  15          1HB       TYR  15 -28.957   5.009   1.954
  114   2HB   TYR  15          2HB       TYR  15 -28.666   3.426   1.262
  115    HD1  TYR  15           1HD      TYR  15 -30.607   2.825  -0.629
  116    HD2  TYR  15           2HD      TYR  15 -29.163   6.716   0.410
  117    HE1  TYR  15           1HE      TYR  15 -31.306   3.702  -2.911
  118    HE2  TYR  15           2HE      TYR  15 -29.866   7.579  -1.876
  119    HH   TYR  15           HH       TYR  15 -31.115   7.128  -3.661
  120    H    TRP  16           H        TRP  16 -30.401   4.961   4.437
  121    HA   TRP  16           HA       TRP  16 -28.485   3.587   5.809
  122   1HB   TRP  16          1HB       TRP  16 -29.157   5.664   6.637
  123   2HB   TRP  16          2HB       TRP  16 -30.851   5.216   6.686
  124    HD1  TRP  16           HD       TRP  16 -31.628   4.892   9.149
  125    HE1  TRP  16           1HE      TRP  16 -30.655   4.030  11.445
  126    HE3  TRP  16           3HE      TRP  16 -26.997   3.780   7.368
  127    HZ2  TRP  16           2HZ      TRP  16 -28.114   3.002  12.241
  128    HZ3  TRP  16           3HZ      TRP  16 -25.329   2.851   8.971
  129    HH2  TRP  16           HH       TRP  16 -25.825   2.459  11.332
  130    H    SER  17           H        SER  17 -31.941   2.841   5.285
  131    HA   SER  17           HA       SER  17 -31.694   0.580   7.077
  132   1HB   SER  17          1HB       SER  17 -33.791   2.365   6.501
  133   2HB   SER  17          2HB       SER  17 -34.271   0.886   5.692
  134    HG   SER  17           HG       SER  17 -34.190   1.468   8.405
  135    H    ILE  18           H        ILE  18 -30.144   0.569   4.626
  136    HA   ILE  18           HA       ILE  18 -31.366  -1.763   3.377
  137    HB   ILE  18           HB       ILE  18 -30.660   0.804   2.021
  138   1HG1  ILE  18          1HG1      ILE  18 -32.837  -1.206   1.406
  139   2HG1  ILE  18          2HG1      ILE  18 -33.025   0.056   2.608
  140   1HG2  ILE  18          1HG2      ILE  18 -30.411  -1.949   0.786
  141   2HG2  ILE  18          2HG2      ILE  18 -30.548  -0.439  -0.147
  142   3HG2  ILE  18          3HG2      ILE  18 -29.153  -0.697   0.927
  143   1HD1  ILE  18          1HD1      ILE  18 -33.550   1.529   0.977
  144   2HD1  ILE  18          2HD1      ILE  18 -31.943   1.291   0.249
  145   3HD1  ILE  18          3HD1      ILE  18 -33.307   0.262  -0.249
  146    H    THR  19           H        THR  19 -28.494   0.429   3.637
  147    HA   THR  19           HA       THR  19 -26.570  -1.257   2.669
  148    HB   THR  19           HB       THR  19 -26.627   0.862   4.861
  149    HG1  THR  19           1HG      THR  19 -25.816   2.031   3.062
  150   1HG2  THR  19          1HG2      THR  19 -23.995   0.675   3.937
  151   2HG2  THR  19          2HG2      THR  19 -24.556   0.120   5.532
  152   3HG2  THR  19          3HG2      THR  19 -24.446  -1.030   4.178
  153    H    GLN  20           H        GLN  20 -28.212  -1.367   5.843
  154    HA   GLN  20           HA       GLN  20 -26.465  -3.106   7.062
  155   1HB   GLN  20          1HB       GLN  20 -29.070  -1.990   7.564
  156   2HB   GLN  20          2HB       GLN  20 -29.160  -3.709   7.890
  157   1HG   GLN  20          1HG       GLN  20 -27.141  -1.747   9.073
  158   2HG   GLN  20          2HG       GLN  20 -28.467  -2.513   9.926
  159   1HE2  GLN  20          1HE2      GLN  20 -25.321  -2.551   9.780
  160   2HE2  GLN  20          2HE2      GLN  20 -24.928  -4.223  10.003
  161    H    ALA  21           H        ALA  21 -29.138  -3.670   4.745
  162    HA   ALA  21           HA       ALA  21 -28.767  -6.549   4.995
  163   1HB   ALA  21          1HB       ALA  21 -30.683  -5.244   3.080
  164   2HB   ALA  21          2HB       ALA  21 -30.862  -6.743   4.023
  165   3HB   ALA  21          3HB       ALA  21 -31.026  -5.162   4.825
  166    H    ILE  22           H        ILE  22 -26.414  -5.728   4.165
  167    HA   ILE  22           HA       ILE  22 -26.344  -6.606   1.434
  168    HB   ILE  22           HB       ILE  22 -25.670  -3.777   2.190
  169   1HG1  ILE  22          1HG1      ILE  22 -27.416  -5.104   0.118
  170   2HG1  ILE  22          2HG1      ILE  22 -27.873  -3.961   1.365
  171   1HG2  ILE  22          1HG2      ILE  22 -24.686  -5.232  -0.280
  172   2HG2  ILE  22          2HG2      ILE  22 -24.442  -3.515   0.122
  173   3HG2  ILE  22          3HG2      ILE  22 -23.681  -4.780   1.118
  174   1HD1  ILE  22          1HD1      ILE  22 -26.385  -3.447  -1.221
  175   2HD1  ILE  22          2HD1      ILE  22 -27.806  -2.605  -0.558
  176   3HD1  ILE  22          3HD1      ILE  22 -26.197  -2.327   0.149
  177    H    GLU  23           H        GLU  23 -24.327  -4.842   3.897
  178    HA   GLU  23           HA       GLU  23 -21.973  -6.018   3.292
  179   1HB   GLU  23          1HB       GLU  23 -22.320  -4.147   4.917
  180   2HB   GLU  23          2HB       GLU  23 -22.974  -5.284   6.079
  181   1HG   GLU  23          1HG       GLU  23 -20.812  -5.430   6.818
  182   2HG   GLU  23          2HG       GLU  23 -20.608  -6.537   5.474
  183    H    TYR  24           H        TYR  24 -24.789  -7.440   4.844
  184    HA   TYR  24           HA       TYR  24 -23.628  -9.486   6.297
  185   1HB   TYR  24          1HB       TYR  24 -26.128  -8.569   5.752
  186   2HB   TYR  24          2HB       TYR  24 -26.097  -9.828   4.534
  187    HD1  TYR  24           1HD      TYR  24 -26.115 -12.194   5.163
  188    HD2  TYR  24           2HD      TYR  24 -26.169  -9.122   8.140
  189    HE1  TYR  24           1HE      TYR  24 -26.808 -13.898   6.918
  190    HE2  TYR  24           2HE      TYR  24 -26.862 -10.837   9.885
  191    HH   TYR  24           HH       TYR  24 -26.969 -14.262   9.104
  192    H    ASN  25           H        ASN  25 -24.228  -9.168   2.777
  193    HA   ASN  25           HA       ASN  25 -22.905 -11.751   2.490
  194   1HB   ASN  25          1HB       ASN  25 -25.186 -10.472   0.940
  195   2HB   ASN  25          2HB       ASN  25 -24.147 -11.630   0.133
  196   1HD2  ASN  25          1HD2      ASN  25 -23.617 -13.587   1.689
  197   2HD2  ASN  25          2HD2      ASN  25 -25.003 -14.373   2.367
  198    H    LEU  26           H        LEU  26 -20.993 -10.053   2.668
  199    HA   LEU  26           HA       LEU  26 -20.466  -9.032  -0.034
  200   1HB   LEU  26          1HB       LEU  26 -21.029  -7.351   1.892
  201   2HB   LEU  26          2HB       LEU  26 -19.387  -7.677   2.409
  202    HG   LEU  26           HG       LEU  26 -20.092  -6.727  -0.378
  203   1HD1  LEU  26          1HD1      LEU  26 -18.920  -4.902   1.688
  204   2HD1  LEU  26          2HD1      LEU  26 -19.866  -4.523   0.229
  205   3HD1  LEU  26          3HD1      LEU  26 -20.677  -5.187   1.667
  206   1HD2  LEU  26          1HD2      LEU  26 -17.456  -6.038   0.568
  207   2HD2  LEU  26          2HD2      LEU  26 -17.723  -7.793   0.698
  208   3HD2  LEU  26          3HD2      LEU  26 -17.942  -6.972  -0.867
  209    H    LYS  27           H        LYS  27 -18.775  -9.641   3.131
  210    HA   LYS  27           HA       LYS  27 -16.937 -11.367   1.649
  211   1HB   LYS  27          1HB       LYS  27 -15.926  -9.109   1.804
  212   2HB   LYS  27          2HB       LYS  27 -16.066  -9.169   3.550
  213   1HG   LYS  27          1HG       LYS  27 -14.654 -11.268   3.552
  214   2HG   LYS  27          2HG       LYS  27 -14.456 -11.105   1.818
  215   1HD   LYS  27          1HD       LYS  27 -13.099  -9.194   2.005
  216   2HD   LYS  27          2HD       LYS  27 -13.781  -8.726   3.550
  217   1HE   LYS  27          1HE       LYS  27 -12.615 -11.258   4.040
  218   2HE   LYS  27          2HE       LYS  27 -11.469 -10.450   2.989
  219   1HZ   LYS  27          1HZ       LYS  27 -12.582  -9.300   5.455
  220   2HZ   LYS  27          2HZ       LYS  27 -11.090  -9.946   5.304
  221   3HZ   LYS  27          3HZ       LYS  27 -11.476  -8.586   4.488
  222    H    ARG  28           H        ARG  28 -18.606 -12.868   2.699
  223    HA   ARG  28           HA       ARG  28 -17.690 -13.373   5.415
  224   1HB   ARG  28          1HB       ARG  28 -20.310 -12.703   4.640
  225   2HB   ARG  28          2HB       ARG  28 -20.372 -14.449   4.779
  226   1HG   ARG  28          1HG       ARG  28 -19.519 -14.359   7.080
  227   2HG   ARG  28          2HG       ARG  28 -19.229 -12.635   6.952
  228   1HD   ARG  28          1HD       ARG  28 -21.494 -12.090   7.129
  229   2HD   ARG  28          2HD       ARG  28 -22.027 -13.582   6.380
  230    HE   ARG  28           HE       ARG  28 -21.470 -13.157   9.226
  231   1HH1  ARG  28          1HH1      ARG  28 -22.191 -16.471  10.048
  232   2HH1  ARG  28          2HH1      ARG  28 -21.918 -14.875  10.664
  233   1HH2  ARG  28          1HH2      ARG  28 -22.102 -16.863   7.762
  234   2HH2  ARG  28          2HH2      ARG  28 -21.762 -15.560   6.672
  235    H    THR  29           H        THR  29 -18.229 -15.811   6.042
  236    HA   THR  29           HA       THR  29 -17.830 -17.968   5.679
  237    HB   THR  29           HB       THR  29 -19.047 -17.242   2.964
  238    HG1  THR  29           1HG      THR  29 -20.694 -17.119   4.456
  239   1HG2  THR  29          1HG2      THR  29 -18.457 -19.931   4.292
  240   2HG2  THR  29          2HG2      THR  29 -19.730 -19.735   3.064
  241   3HG2  THR  29          3HG2      THR  29 -18.030 -19.419   2.642
  242    HA   PRO  30           HA       PRO  30 -13.901 -17.061   3.665
  243   1HB   PRO  30          1HB       PRO  30 -12.284 -17.388   5.844
  244   2HB   PRO  30          2HB       PRO  30 -12.885 -15.827   5.322
  245   1HG   PRO  30          1HG       PRO  30 -13.759 -17.478   7.613
  246   2HG   PRO  30          2HG       PRO  30 -14.031 -15.771   7.322
  247   1HD   PRO  30          1HD       PRO  30 -15.930 -17.894   6.982
  248   2HD   PRO  30          2HD       PRO  30 -16.164 -16.204   6.582
  249    H    ARG  31           H        ARG  31 -14.965 -19.137   2.779
  250    HA   ARG  31           HA       ARG  31 -13.502 -21.365   3.922
  251   1HB   ARG  31          1HB       ARG  31 -15.128 -22.812   2.822
  252   2HB   ARG  31          2HB       ARG  31 -16.017 -21.540   3.637
  253   1HG   ARG  31          1HG       ARG  31 -15.869 -20.265   1.341
  254   2HG   ARG  31          2HG       ARG  31 -15.447 -21.826   0.666
  255   1HD   ARG  31          1HD       ARG  31 -17.560 -22.746   1.088
  256   2HD   ARG  31          2HD       ARG  31 -17.859 -21.711   2.470
  257    HE   ARG  31           HE       ARG  31 -18.860 -20.177   1.030
  258   1HH1  ARG  31          1HH1      ARG  31 -18.669 -19.775  -2.431
  259   2HH1  ARG  31          2HH1      ARG  31 -19.429 -19.233  -0.972
  260   1HH2  ARG  31          1HH2      ARG  31 -17.073 -21.459  -2.353
  261   2HH2  ARG  31          2HH2      ARG  31 -16.643 -22.174  -0.835
  262    H    ARG  32           H        ARG  32 -11.791 -22.271   2.791
  263    HA   ARG  32           HA       ARG  32 -11.207 -21.094   0.244
  264   1HB   ARG  32          1HB       ARG  32  -9.666 -22.054   2.420
  265   2HB   ARG  32          2HB       ARG  32  -9.361 -23.207   1.136
  266   1HG   ARG  32          1HG       ARG  32  -9.000 -21.097  -0.387
  267   2HG   ARG  32          2HG       ARG  32  -8.872 -20.208   1.117
  268   1HD   ARG  32          1HD       ARG  32  -7.244 -22.587   1.351
  269   2HD   ARG  32          2HD       ARG  32  -6.858 -21.817  -0.175
  270    HE   ARG  32           HE       ARG  32  -6.235 -20.801   2.471
  271   1HH1  ARG  32          1HH1      ARG  32  -5.172 -17.682   1.324
  272   2HH1  ARG  32          2HH1      ARG  32  -5.183 -18.782   2.661
  273   1HH2  ARG  32          1HH2      ARG  32  -6.226 -18.258  -0.662
  274   2HH2  ARG  32          2HH2      ARG  32  -7.024 -19.789  -0.806
  Start of MODEL    9
    1    H    THR   1           H        THR   1 -29.226  28.278   6.397
    2    HA   THR   1           HA       THR   1 -27.956  26.562   4.366
    3    HB   THR   1           HB       THR   1 -26.786  27.670   6.973
    4    HG1  THR   1           1HG      THR   1 -26.807  29.286   5.354
    5   1HG2  THR   1          1HG2      THR   1 -24.636  26.803   6.017
    6   2HG2  THR   1          2HG2      THR   1 -25.777  25.476   6.343
    7   3HG2  THR   1          3HG2      THR   1 -25.545  26.061   4.678
    8    H    SER   2           H        SER   2 -30.438  26.537   6.381
    9    HA   SER   2           HA       SER   2 -29.685  23.987   7.570
   10   1HB   SER   2          1HB       SER   2 -31.377  26.257   8.461
   11   2HB   SER   2          2HB       SER   2 -32.105  24.686   8.729
   12    HG   SER   2           HG       SER   2 -29.716  24.233   9.583
   13    H    SER   3           H        SER   3 -31.326  25.409   4.965
   14    HA   SER   3           HA       SER   3 -33.426  23.433   4.929
   15   1HB   SER   3          1HB       SER   3 -33.586  25.979   4.238
   16   2HB   SER   3          2HB       SER   3 -32.894  25.437   2.721
   17    HG   SER   3           HG       SER   3 -35.233  25.431   2.674
   18    H    ILE   4           H        ILE   4 -30.877  22.262   4.828
   19    HA   ILE   4           HA       ILE   4 -30.972  21.092   2.181
   20    HB   ILE   4           HB       ILE   4 -28.651  22.663   3.241
   21   1HG1  ILE   4          1HG1      ILE   4 -30.152  23.783   1.691
   22   2HG1  ILE   4          2HG1      ILE   4 -28.586  23.520   0.949
   23   1HG2  ILE   4          1HG2      ILE   4 -27.529  20.654   2.893
   24   2HG2  ILE   4          2HG2      ILE   4 -28.545  20.209   1.501
   25   3HG2  ILE   4          3HG2      ILE   4 -27.338  21.508   1.342
   26   1HD1  ILE   4          1HD1      ILE   4 -29.997  22.800  -0.765
   27   2HD1  ILE   4          2HD1      ILE   4 -29.712  21.261   0.083
   28   3HD1  ILE   4          3HD1      ILE   4 -31.218  22.167   0.366
   29    H    VAL   5           H        VAL   5 -28.980  21.203   5.224
   30    HA   VAL   5           HA       VAL   5 -28.137  18.644   5.282
   31    HB   VAL   5           HB       VAL   5 -29.083  20.452   7.504
   32   1HG1  VAL   5          1HG1      VAL   5 -27.981  19.024   9.106
   33   2HG1  VAL   5          2HG1      VAL   5 -29.168  18.052   8.204
   34   3HG1  VAL   5          3HG1      VAL   5 -27.435  17.923   7.819
   35   1HG2  VAL   5          1HG2      VAL   5 -26.846  20.540   5.823
   36   2HG2  VAL   5          2HG2      VAL   5 -27.085  21.438   7.342
   37   3HG2  VAL   5          3HG2      VAL   5 -26.238  19.873   7.358
   38    H    HIS   6           H        HIS   6 -31.247  19.809   6.771
   39    HA   HIS   6           HA       HIS   6 -32.232  17.453   7.603
   40   1HB   HIS   6          1HB       HIS   6 -33.215  19.813   7.739
   41   2HB   HIS   6          2HB       HIS   6 -33.940  19.497   6.175
   42    HD1  HIS   6           1HD      HIS   6 -33.795  17.641   9.544
   43    HD2  HIS   6           2HD      HIS   6 -36.474  18.549   6.447
   44    HE1  HIS   6           1HE      HIS   6 -36.041  16.640  10.225
   45    HE2  HIS   6           2HE      HIS   6 -37.659  17.277   8.309
   46    H    LEU   7           H        LEU   7 -32.677  18.833   4.269
   47    HA   LEU   7           HA       LEU   7 -34.083  16.732   3.206
   48   1HB   LEU   7          1HB       LEU   7 -33.769  18.887   2.129
   49   2HB   LEU   7          2HB       LEU   7 -32.063  18.558   1.898
   50    HG   LEU   7           HG       LEU   7 -33.957  16.581   0.733
   51   1HD1  LEU   7          1HD1      LEU   7 -34.703  17.867  -1.054
   52   2HD1  LEU   7          2HD1      LEU   7 -34.895  18.958   0.339
   53   3HD1  LEU   7          3HD1      LEU   7 -33.509  19.155  -0.761
   54   1HD2  LEU   7          1HD2      LEU   7 -31.363  16.646   0.616
   55   2HD2  LEU   7          2HD2      LEU   7 -32.297  16.248  -0.846
   56   3HD2  LEU   7          3HD2      LEU   7 -31.621  17.882  -0.639
   57    H    CYS   8           H        CYS   8 -30.484  17.240   3.023
   58    HA   CYS   8           HA       CYS   8 -29.896  14.839   1.854
   59   1HB   CYS   8          1HB       CYS   8 -28.383  16.879   2.402
   60   2HB   CYS   8          2HB       CYS   8 -28.086  16.074   3.930
   61    HG   CYS   8           HG       CYS   8 -26.127  15.607   2.211
   62    H    ALA   9           H        ALA   9 -30.828  15.659   5.180
   63    HA   ALA   9           HA       ALA   9 -29.852  13.410   6.495
   64   1HB   ALA   9          1HB       ALA   9 -31.207  15.705   7.162
   65   2HB   ALA   9          2HB       ALA   9 -32.468  14.469   7.391
   66   3HB   ALA   9          3HB       ALA   9 -30.924  14.339   8.268
   67    H    ILE  10           H        ILE  10 -32.773  13.965   4.497
   68    HA   ILE  10           HA       ILE  10 -33.856  11.390   5.172
   69    HB   ILE  10           HB       ILE  10 -34.665  13.490   3.159
   70   1HG1  ILE  10          1HG1      ILE  10 -36.191  12.817   5.652
   71   2HG1  ILE  10          2HG1      ILE  10 -34.771  13.836   5.778
   72   1HG2  ILE  10          1HG2      ILE  10 -35.305  10.926   2.842
   73   2HG2  ILE  10          2HG2      ILE  10 -36.544  11.353   4.047
   74   3HG2  ILE  10          3HG2      ILE  10 -36.454  12.244   2.509
   75   1HD1  ILE  10          1HD1      ILE  10 -35.745  15.310   3.950
   76   2HD1  ILE  10          2HD1      ILE  10 -37.231  14.336   4.045
   77   3HD1  ILE  10          3HD1      ILE  10 -36.695  15.281   5.454
   78    H    SER  11           H        SER  11 -32.431  12.962   2.225
   79    HA   SER  11           HA       SER  11 -32.430  10.528   0.817
   80   1HB   SER  11          1HB       SER  11 -32.417  12.948  -0.108
   81   2HB   SER  11          2HB       SER  11 -30.694  12.952   0.212
   82    HG   SER  11           HG       SER  11 -32.056  10.999  -1.441
   83    H    LEU  12           H        LEU  12 -31.363   9.416   2.850
   84    HA   LEU  12           HA       LEU  12 -28.767   8.694   2.145
   85   1HB   LEU  12          1HB       LEU  12 -27.922  10.737   2.882
   86   2HB   LEU  12          2HB       LEU  12 -28.995  10.803   4.266
   87    HG   LEU  12           HG       LEU  12 -27.652   8.649   5.018
   88   1HD1  LEU  12          1HD1      LEU  12 -25.533   8.343   4.203
   89   2HD1  LEU  12          2HD1      LEU  12 -26.378   8.855   2.722
   90   3HD1  LEU  12          3HD1      LEU  12 -25.385  10.022   3.629
   91   1HD2  LEU  12          1HD2      LEU  12 -27.773  11.169   5.891
   92   2HD2  LEU  12          2HD2      LEU  12 -26.644   9.970   6.566
   93   3HD2  LEU  12          3HD2      LEU  12 -26.074  11.150   5.362
   94    H    ASP  13           H        ASP  13 -30.463   9.279   5.309
   95    HA   ASP  13           HA       ASP  13 -29.822   6.932   6.450
   96   1HB   ASP  13          1HB       ASP  13 -31.414   9.059   7.111
   97   2HB   ASP  13          2HB       ASP  13 -32.651   7.847   6.844
   98    H    ARG  14           H        ARG  14 -32.754   7.725   4.441
   99    HA   ARG  14           HA       ARG  14 -34.162   5.510   4.567
  100   1HB   ARG  14          1HB       ARG  14 -34.262   7.645   2.947
  101   2HB   ARG  14          2HB       ARG  14 -33.547   6.544   1.786
  102   1HG   ARG  14          1HG       ARG  14 -35.576   4.978   2.847
  103   2HG   ARG  14          2HG       ARG  14 -36.297   6.573   2.919
  104   1HD   ARG  14          1HD       ARG  14 -34.881   5.878   0.364
  105   2HD   ARG  14          2HD       ARG  14 -36.366   5.005   0.685
  106    HE   ARG  14           HE       ARG  14 -36.108   7.884   0.131
  107   1HH1  ARG  14          1HH1      ARG  14 -39.561   8.366   0.269
  108   2HH1  ARG  14          2HH1      ARG  14 -38.040   9.066  -0.171
  109   1HH2  ARG  14          1HH2      ARG  14 -39.637   6.226   1.166
  110   2HH2  ARG  14          2HH2      ARG  14 -38.173   5.330   1.395
  111    H    TYR  15           H        TYR  15 -31.114   5.943   2.686
  112    HA   TYR  15           HA       TYR  15 -31.231   3.149   1.850
  113   1HB   TYR  15          1HB       TYR  15 -29.173   5.377   1.324
  114   2HB   TYR  15          2HB       TYR  15 -29.378   3.919   0.373
  115    HD1  TYR  15           1HD      TYR  15 -30.488   7.331   0.903
  116    HD2  TYR  15           2HD      TYR  15 -31.431   3.650  -1.064
  117    HE1  TYR  15           1HE      TYR  15 -32.074   8.562  -0.657
  118    HE2  TYR  15           2HE      TYR  15 -33.013   4.894  -2.617
  119    HH   TYR  15           HH       TYR  15 -34.262   6.880  -2.698
  120    H    TRP  16           H        TRP  16 -30.980   3.240   4.580
  121    HA   TRP  16           HA       TRP  16 -28.103   2.772   4.982
  122   1HB   TRP  16          1HB       TRP  16 -28.816   4.670   6.269
  123   2HB   TRP  16          2HB       TRP  16 -30.194   3.795   6.906
  124    HD1  TRP  16           HD       TRP  16 -29.721   3.174   9.390
  125    HE1  TRP  16           1HE      TRP  16 -27.706   2.359  10.886
  126    HE3  TRP  16           3HE      TRP  16 -26.258   3.210   5.667
  127    HZ2  TRP  16           2HZ      TRP  16 -24.951   1.833  10.357
  128    HZ3  TRP  16           3HZ      TRP  16 -23.929   2.532   6.241
  129    HH2  TRP  16           HH       TRP  16 -23.254   1.860   8.492
  130    H    SER  17           H        SER  17 -31.464   1.852   6.026
  131    HA   SER  17           HA       SER  17 -30.657  -0.533   7.201
  132   1HB   SER  17          1HB       SER  17 -32.815   0.577   7.685
  133   2HB   SER  17          2HB       SER  17 -33.360   0.284   6.045
  134    HG   SER  17           HG       SER  17 -34.048  -1.624   6.698
  135    H    ILE  18           H        ILE  18 -32.196   0.173   3.979
  136    HA   ILE  18           HA       ILE  18 -32.348  -2.353   2.994
  137    HB   ILE  18           HB       ILE  18 -31.671   0.233   1.594
  138   1HG1  ILE  18          1HG1      ILE  18 -34.339  -1.162   1.605
  139   2HG1  ILE  18          2HG1      ILE  18 -33.874  -0.138   2.948
  140   1HG2  ILE  18          1HG2      ILE  18 -31.036  -1.906   0.343
  141   2HG2  ILE  18          2HG2      ILE  18 -32.784  -2.230   0.254
  142   3HG2  ILE  18          3HG2      ILE  18 -32.113  -0.756  -0.485
  143   1HD1  ILE  18          1HD1      ILE  18 -33.245   1.612   1.066
  144   2HD1  ILE  18          2HD1      ILE  18 -34.320   0.618   0.054
  145   3HD1  ILE  18          3HD1      ILE  18 -34.950   1.392   1.528
  146    H    THR  19           H        THR  19 -29.491  -0.121   2.797
  147    HA   THR  19           HA       THR  19 -27.827  -1.974   1.510
  148    HB   THR  19           HB       THR  19 -26.047  -0.349   2.546
  149    HG1  THR  19           1HG      THR  19 -27.683   0.174   4.295
  150   1HG2  THR  19          1HG2      THR  19 -27.300   1.706   1.328
  151   2HG2  THR  19          2HG2      THR  19 -26.590   0.377   0.382
  152   3HG2  THR  19          3HG2      THR  19 -28.337   0.394   0.720
  153    H    GLN  20           H        GLN  20 -28.600  -1.430   4.960
  154    HA   GLN  20           HA       GLN  20 -26.628  -2.657   6.216
  155   1HB   GLN  20          1HB       GLN  20 -28.984  -1.800   7.037
  156   2HB   GLN  20          2HB       GLN  20 -29.465  -3.479   6.887
  157   1HG   GLN  20          1HG       GLN  20 -26.871  -3.083   8.292
  158   2HG   GLN  20          2HG       GLN  20 -28.244  -2.372   9.116
  159   1HE2  GLN  20          1HE2      GLN  20 -28.727  -3.691  10.710
  160   2HE2  GLN  20          2HE2      GLN  20 -29.025  -5.394  10.596
  161    H    ALA  21           H        ALA  21 -29.454  -4.425   4.754
  162    HA   ALA  21           HA       ALA  21 -28.559  -6.978   5.324
  163   1HB   ALA  21          1HB       ALA  21 -30.438  -5.695   3.378
  164   2HB   ALA  21          2HB       ALA  21 -29.964  -7.382   3.070
  165   3HB   ALA  21          3HB       ALA  21 -30.745  -6.944   4.608
  166    H    ILE  22           H        ILE  22 -27.907  -4.825   2.495
  167    HA   ILE  22           HA       ILE  22 -26.484  -6.691   1.004
  168    HB   ILE  22           HB       ILE  22 -26.242  -3.682   1.119
  169   1HG1  ILE  22          1HG1      ILE  22 -28.505  -4.273   0.638
  170   2HG1  ILE  22          2HG1      ILE  22 -27.753  -3.773  -0.863
  171   1HG2  ILE  22          1HG2      ILE  22 -25.351  -3.894  -1.184
  172   2HG2  ILE  22          2HG2      ILE  22 -24.285  -4.605   0.051
  173   3HG2  ILE  22          3HG2      ILE  22 -25.290  -5.660  -0.970
  174   1HD1  ILE  22          1HD1      ILE  22 -28.487  -6.570   0.042
  175   2HD1  ILE  22          2HD1      ILE  22 -28.891  -5.744  -1.482
  176   3HD1  ILE  22          3HD1      ILE  22 -27.234  -6.328  -1.199
  177    H    GLU  23           H        GLU  23 -25.337  -4.217   3.398
  178    HA   GLU  23           HA       GLU  23 -22.669  -4.942   3.169
  179   1HB   GLU  23          1HB       GLU  23 -23.377  -2.804   4.140
  180   2HB   GLU  23          2HB       GLU  23 -24.195  -3.623   5.455
  181   1HG   GLU  23          1HG       GLU  23 -21.413  -4.517   5.264
  182   2HG   GLU  23          2HG       GLU  23 -21.488  -2.771   5.391
  183    H    TYR  24           H        TYR  24 -25.393  -6.413   4.830
  184    HA   TYR  24           HA       TYR  24 -24.085  -7.742   6.885
  185   1HB   TYR  24          1HB       TYR  24 -26.631  -7.456   5.935
  186   2HB   TYR  24          2HB       TYR  24 -26.278  -8.997   5.180
  187    HD1  TYR  24           1HD      TYR  24 -26.113  -7.333   8.539
  188    HD2  TYR  24           2HD      TYR  24 -26.739 -10.956   6.353
  189    HE1  TYR  24           1HE      TYR  24 -26.726  -8.535  10.694
  190    HE2  TYR  24           2HE      TYR  24 -27.350 -12.147   8.514
  191    HH   TYR  24           HH       TYR  24 -26.839 -10.668  11.592
  192    H    ASN  25           H        ASN  25 -24.473  -8.560   3.402
  193    HA   ASN  25           HA       ASN  25 -22.499 -10.645   3.858
  194   1HB   ASN  25          1HB       ASN  25 -25.189 -10.841   2.492
  195   2HB   ASN  25          2HB       ASN  25 -23.866 -11.758   1.797
  196   1HD2  ASN  25          1HD2      ASN  25 -22.461 -12.878   3.548
  197   2HD2  ASN  25          2HD2      ASN  25 -23.323 -13.802   4.733
  198    H    LEU  26           H        LEU  26 -21.150  -8.696   3.074
  199    HA   LEU  26           HA       LEU  26 -21.364  -8.432   0.155
  200   1HB   LEU  26          1HB       LEU  26 -21.891  -6.382   1.448
  201   2HB   LEU  26          2HB       LEU  26 -20.280  -6.426   2.137
  202    HG   LEU  26           HG       LEU  26 -20.495  -6.431  -0.841
  203   1HD1  LEU  26          1HD1      LEU  26 -20.450  -3.709   0.127
  204   2HD1  LEU  26          2HD1      LEU  26 -21.507  -4.471  -1.085
  205   3HD1  LEU  26          3HD1      LEU  26 -21.939  -4.537   0.640
  206   1HD2  LEU  26          1HD2      LEU  26 -18.344  -6.535   0.540
  207   2HD2  LEU  26          2HD2      LEU  26 -18.424  -5.332  -0.769
  208   3HD2  LEU  26          3HD2      LEU  26 -18.648  -4.824   0.923
  209    H    LYS  27           H        LYS  27 -19.015  -8.270   2.926
  210    HA   LYS  27           HA       LYS  27 -16.960  -9.231   1.096
  211   1HB   LYS  27          1HB       LYS  27 -17.025  -7.436   3.344
  212   2HB   LYS  27          2HB       LYS  27 -15.919  -8.748   3.695
  213   1HG   LYS  27          1HG       LYS  27 -14.644  -8.342   1.669
  214   2HG   LYS  27          2HG       LYS  27 -15.865  -7.254   1.039
  215   1HD   LYS  27          1HD       LYS  27 -14.364  -5.691   1.880
  216   2HD   LYS  27          2HD       LYS  27 -15.380  -5.898   3.292
  217   1HE   LYS  27          1HE       LYS  27 -13.391  -6.312   4.361
  218   2HE   LYS  27          2HE       LYS  27 -13.595  -7.929   3.720
  219   1HZ   LYS  27          1HZ       LYS  27 -12.142  -5.777   2.345
  220   2HZ   LYS  27          2HZ       LYS  27 -11.438  -6.971   3.209
  221   3HZ   LYS  27          3HZ       LYS  27 -12.264  -7.327   1.846
  222    H    ARG  28           H        ARG  28 -18.364 -11.312   1.059
  223    HA   ARG  28           HA       ARG  28 -17.273 -12.999   3.149
  224   1HB   ARG  28          1HB       ARG  28 -19.909 -12.315   3.216
  225   2HB   ARG  28          2HB       ARG  28 -20.018 -13.671   2.111
  226   1HG   ARG  28          1HG       ARG  28 -18.278 -14.427   4.296
  227   2HG   ARG  28          2HG       ARG  28 -19.736 -13.731   4.976
  228   1HD   ARG  28          1HD       ARG  28 -20.745 -15.352   2.934
  229   2HD   ARG  28          2HD       ARG  28 -19.378 -16.284   3.512
  230    HE   ARG  28           HE       ARG  28 -21.040 -15.224   5.679
  231   1HH1  ARG  28          1HH1      ARG  28 -22.411 -18.349   6.406
  232   2HH1  ARG  28          2HH1      ARG  28 -22.207 -16.719   6.954
  233   1HH2  ARG  28          1HH2      ARG  28 -21.500 -19.016   4.378
  234   2HH2  ARG  28          2HH2      ARG  28 -20.615 -17.882   3.412
  235    H    THR  29           H        THR  29 -17.369 -15.408   2.466
  236    HA   THR  29           HA       THR  29 -16.446 -15.595  -0.244
  237    HB   THR  29           HB       THR  29 -16.069 -17.992   0.478
  238    HG1  THR  29           1HG      THR  29 -18.079 -17.733   1.930
  239   1HG2  THR  29          1HG2      THR  29 -15.279 -15.881   2.556
  240   2HG2  THR  29          2HG2      THR  29 -14.585 -17.518   2.455
  241   3HG2  THR  29          3HG2      THR  29 -14.317 -16.354   1.135
  242    HA   PRO  30           HA       PRO  30 -20.043 -16.941  -2.151
  243   1HB   PRO  30          1HB       PRO  30 -19.094 -18.575  -4.125
  244   2HB   PRO  30          2HB       PRO  30 -19.079 -16.826  -4.239
  245   1HG   PRO  30          1HG       PRO  30 -16.827 -18.668  -3.716
  246   2HG   PRO  30          2HG       PRO  30 -16.779 -17.000  -4.249
  247   1HD   PRO  30          1HD       PRO  30 -16.242 -17.973  -1.605
  248   2HD   PRO  30          2HD       PRO  30 -16.308 -16.297  -2.111
  249    H    ARG  31           H        ARG  31 -21.205 -19.019  -3.150
  250    HA   ARG  31           HA       ARG  31 -20.741 -21.055  -1.121
  251   1HB   ARG  31          1HB       ARG  31 -23.173 -19.545  -1.767
  252   2HB   ARG  31          2HB       ARG  31 -23.451 -21.264  -1.960
  253   1HG   ARG  31          1HG       ARG  31 -22.788 -21.731   0.319
  254   2HG   ARG  31          2HG       ARG  31 -22.109 -20.129   0.528
  255   1HD   ARG  31          1HD       ARG  31 -24.128 -19.255   1.121
  256   2HD   ARG  31          2HD       ARG  31 -24.918 -19.943  -0.284
  257    HE   ARG  31           HE       ARG  31 -25.622 -21.767   1.017
  258   1HH1  ARG  31          1HH1      ARG  31 -24.940 -22.544   4.350
  259   2HH1  ARG  31          2HH1      ARG  31 -25.910 -22.924   2.967
  260   1HH2  ARG  31          1HH2      ARG  31 -23.347 -20.860   4.224
  261   2HH2  ARG  31          2HH2      ARG  31 -23.129 -19.984   2.746
  262    H    ARG  32           H        ARG  32 -21.851 -23.255  -1.862
  263    HA   ARG  32           HA       ARG  32 -21.698 -23.471  -4.747
  264   1HB   ARG  32          1HB       ARG  32 -19.507 -24.191  -3.522
  265   2HB   ARG  32          2HB       ARG  32 -20.428 -25.552  -2.914
  266   1HG   ARG  32          1HG       ARG  32 -19.859 -26.618  -4.843
  267   2HG   ARG  32          2HG       ARG  32 -21.050 -25.601  -5.629
  268   1HD   ARG  32          1HD       ARG  32 -18.528 -24.146  -5.273
  269   2HD   ARG  32          2HD       ARG  32 -18.257 -25.650  -6.129
  270    HE   ARG  32           HE       ARG  32 -20.566 -24.119  -7.112
  271   1HH1  ARG  32          1HH1      ARG  32 -18.935 -23.270 -10.078
  272   2HH1  ARG  32          2HH1      ARG  32 -20.452 -23.301  -9.242
  273   1HH2  ARG  32          1HH2      ARG  32 -17.019 -24.061  -9.033
  274   2HH2  ARG  32          2HH2      ARG  32 -17.106 -24.681  -7.418
  Start of MODEL   10
    1    H    THR   1           H        THR   1 -29.909  27.088   6.054
    2    HA   THR   1           HA       THR   1 -27.496  25.476   5.570
    3    HB   THR   1           HB       THR   1 -28.404  27.335   7.819
    4    HG1  THR   1           1HG      THR   1 -26.700  28.515   6.908
    5   1HG2  THR   1          1HG2      THR   1 -27.258  25.671   9.081
    6   2HG2  THR   1          2HG2      THR   1 -26.183  25.257   7.724
    7   3HG2  THR   1          3HG2      THR   1 -25.946  26.780   8.614
    8    H    SER   2           H        SER   2 -30.300  25.745   7.860
    9    HA   SER   2           HA       SER   2 -29.886  22.964   8.488
   10   1HB   SER   2          1HB       SER   2 -31.673  25.144   9.625
   11   2HB   SER   2          2HB       SER   2 -31.868  23.467  10.097
   12    HG   SER   2           HG       SER   2 -29.300  23.796  10.390
   13    H    SER   3           H        SER   3 -31.046  24.248   5.849
   14    HA   SER   3           HA       SER   3 -33.604  22.866   5.905
   15   1HB   SER   3          1HB       SER   3 -33.543  25.284   5.185
   16   2HB   SER   3          2HB       SER   3 -32.521  24.829   3.836
   17    HG   SER   3           HG       SER   3 -34.504  23.165   3.563
   18    H    ILE   4           H        ILE   4 -30.337  22.883   4.573
   19    HA   ILE   4           HA       ILE   4 -30.999  21.045   2.453
   20    HB   ILE   4           HB       ILE   4 -28.430  22.271   3.443
   21   1HG1  ILE   4          1HG1      ILE   4 -29.092  22.799   0.697
   22   2HG1  ILE   4          2HG1      ILE   4 -30.486  23.167   1.694
   23   1HG2  ILE   4          1HG2      ILE   4 -27.418  21.275   1.365
   24   2HG2  ILE   4          2HG2      ILE   4 -27.796  20.115   2.662
   25   3HG2  ILE   4          3HG2      ILE   4 -28.861  20.241   1.242
   26   1HD1  ILE   4          1HD1      ILE   4 -27.801  24.467   1.628
   27   2HD1  ILE   4          2HD1      ILE   4 -29.397  25.168   1.989
   28   3HD1  ILE   4          3HD1      ILE   4 -28.518  24.263   3.244
   29    H    VAL   5           H        VAL   5 -28.878  20.963   5.408
   30    HA   VAL   5           HA       VAL   5 -28.172  18.379   5.415
   31    HB   VAL   5           HB       VAL   5 -29.064  20.129   7.708
   32   1HG1  VAL   5          1HG1      VAL   5 -29.163  18.070   8.749
   33   2HG1  VAL   5          2HG1      VAL   5 -27.922  17.352   7.695
   34   3HG1  VAL   5          3HG1      VAL   5 -27.448  18.485   8.984
   35   1HG2  VAL   5          1HG2      VAL   5 -27.074  21.125   7.526
   36   2HG2  VAL   5          2HG2      VAL   5 -26.230  19.558   7.532
   37   3HG2  VAL   5          3HG2      VAL   5 -26.829  20.240   6.001
   38    H    HIS   6           H        HIS   6 -31.263  19.647   6.850
   39    HA   HIS   6           HA       HIS   6 -32.326  17.280   7.631
   40   1HB   HIS   6          1HB       HIS   6 -33.193  19.694   7.867
   41   2HB   HIS   6          2HB       HIS   6 -33.979  19.441   6.322
   42    HD1  HIS   6           1HD      HIS   6 -33.809  17.580   9.684
   43    HD2  HIS   6           2HD      HIS   6 -36.516  18.498   6.614
   44    HE1  HIS   6           1HE      HIS   6 -36.060  16.621  10.406
   45    HE2  HIS   6           2HE      HIS   6 -37.695  17.264   8.506
   46    H    LEU   7           H        LEU   7 -32.743  18.850   4.378
   47    HA   LEU   7           HA       LEU   7 -34.214  16.790   3.255
   48   1HB   LEU   7          1HB       LEU   7 -33.121  19.253   2.477
   49   2HB   LEU   7          2HB       LEU   7 -32.466  18.082   1.349
   50    HG   LEU   7           HG       LEU   7 -34.505  19.091   0.487
   51   1HD1  LEU   7          1HD1      LEU   7 -33.997  16.810  -0.187
   52   2HD1  LEU   7          2HD1      LEU   7 -34.879  16.174   1.223
   53   3HD1  LEU   7          3HD1      LEU   7 -35.757  17.046  -0.057
   54   1HD2  LEU   7          1HD2      LEU   7 -36.539  19.179   1.548
   55   2HD2  LEU   7          2HD2      LEU   7 -36.192  17.772   2.581
   56   3HD2  LEU   7          3HD2      LEU   7 -35.434  19.343   2.934
   57    H    CYS   8           H        CYS   8 -30.671  17.453   2.749
   58    HA   CYS   8           HA       CYS   8 -30.036  15.202   1.427
   59   1HB   CYS   8          1HB       CYS   8 -28.520  16.937   3.340
   60   2HB   CYS   8          2HB       CYS   8 -27.783  15.430   2.834
   61    HG   CYS   8           HG       CYS   8 -26.899  17.429   1.358
   62    H    ALA   9           H        ALA   9 -30.967  15.594   4.820
   63    HA   ALA   9           HA       ALA   9 -30.058  12.938   5.525
   64   1HB   ALA   9          1HB       ALA   9 -29.797  14.695   7.169
   65   2HB   ALA   9          2HB       ALA   9 -31.513  15.147   7.030
   66   3HB   ALA   9          3HB       ALA   9 -31.059  13.582   7.748
   67    H    ILE  10           H        ILE  10 -31.614  12.453   3.442
   68    HA   ILE  10           HA       ILE  10 -33.996  11.339   4.676
   69    HB   ILE  10           HB       ILE  10 -34.035  13.221   2.321
   70   1HG1  ILE  10          1HG1      ILE  10 -34.125  14.203   4.615
   71   2HG1  ILE  10          2HG1      ILE  10 -35.531  14.543   3.626
   72   1HG2  ILE  10          1HG2      ILE  10 -36.070  11.181   3.215
   73   2HG2  ILE  10          2HG2      ILE  10 -36.527  12.640   2.304
   74   3HG2  ILE  10          3HG2      ILE  10 -35.401  11.461   1.589
   75   1HD1  ILE  10          1HD1      ILE  10 -35.282  12.645   5.971
   76   2HD1  ILE  10          2HD1      ILE  10 -36.502  13.907   5.673
   77   3HD1  ILE  10          3HD1      ILE  10 -36.551  12.386   4.750
   78    H    SER  11           H        SER  11 -32.044  11.747   1.647
   79    HA   SER  11           HA       SER  11 -32.876   9.257   0.646
   80   1HB   SER  11          1HB       SER  11 -31.777  11.422  -0.501
   81   2HB   SER  11          2HB       SER  11 -30.291  10.533  -0.231
   82    HG   SER  11           HG       SER  11 -32.167  10.160  -2.175
   83    H    LEU  12           H        LEU  12 -29.982  10.470   2.429
   84    HA   LEU  12           HA       LEU  12 -28.442   8.171   2.244
   85   1HB   LEU  12          1HB       LEU  12 -27.417  10.151   2.944
   86   2HB   LEU  12          2HB       LEU  12 -28.601  10.440   4.204
   87    HG   LEU  12           HG       LEU  12 -27.655   8.247   5.264
   88   1HD1  LEU  12          1HD1      LEU  12 -25.890   7.268   4.345
   89   2HD1  LEU  12          2HD1      LEU  12 -26.050   8.371   2.956
   90   3HD1  LEU  12          3HD1      LEU  12 -24.990   8.804   4.319
   91   1HD2  LEU  12          1HD2      LEU  12 -25.631   9.760   6.121
   92   2HD2  LEU  12          2HD2      LEU  12 -26.582  11.024   5.305
   93   3HD2  LEU  12          3HD2      LEU  12 -27.320  10.052   6.601
   94    H    ASP  13           H        ASP  13 -30.562   9.223   5.009
   95    HA   ASP  13           HA       ASP  13 -30.337   7.033   6.522
   96   1HB   ASP  13          1HB       ASP  13 -32.337   9.142   6.107
   97   2HB   ASP  13          2HB       ASP  13 -33.104   7.648   6.609
   98    H    ARG  14           H        ARG  14 -32.682   7.606   3.799
   99    HA   ARG  14           HA       ARG  14 -34.160   5.398   3.922
  100   1HB   ARG  14          1HB       ARG  14 -33.324   7.271   1.831
  101   2HB   ARG  14          2HB       ARG  14 -33.545   5.672   1.150
  102   1HG   ARG  14          1HG       ARG  14 -35.815   5.588   2.351
  103   2HG   ARG  14          2HG       ARG  14 -35.589   7.280   2.745
  104   1HD   ARG  14          1HD       ARG  14 -35.180   7.605   0.166
  105   2HD   ARG  14          2HD       ARG  14 -35.910   6.021  -0.004
  106    HE   ARG  14           HE       ARG  14 -37.277   8.502   0.736
  107   1HH1  ARG  14          1HH1      ARG  14 -40.355   6.910   1.143
  108   2HH1  ARG  14          2HH1      ARG  14 -39.546   8.434   0.993
  109   1HH2  ARG  14          1HH2      ARG  14 -39.134   4.937   1.083
  110   2HH2  ARG  14          2HH2      ARG  14 -37.414   4.989   0.888
  111    H    TYR  15           H        TYR  15 -30.887   5.712   2.396
  112    HA   TYR  15           HA       TYR  15 -30.819   2.948   1.647
  113   1HB   TYR  15          1HB       TYR  15 -28.676   5.146   1.940
  114   2HB   TYR  15          2HB       TYR  15 -28.456   3.661   1.037
  115    HD1  TYR  15           1HD      TYR  15 -30.744   3.342  -0.633
  116    HD2  TYR  15           2HD      TYR  15 -28.810   6.977   0.531
  117    HE1  TYR  15           1HE      TYR  15 -31.626   4.489  -2.723
  118    HE2  TYR  15           2HE      TYR  15 -29.698   8.111  -1.564
  119    HH   TYR  15           HH       TYR  15 -30.439   7.031  -4.018
  120    H    TRP  16           H        TRP  16 -29.708   4.959   4.385
  121    HA   TRP  16           HA       TRP  16 -27.793   3.365   5.485
  122   1HB   TRP  16          1HB       TRP  16 -28.357   5.549   6.342
  123   2HB   TRP  16          2HB       TRP  16 -29.942   4.995   6.847
  124    HD1  TRP  16           HD       TRP  16 -29.955   4.703   9.434
  125    HE1  TRP  16           1HE      TRP  16 -28.346   3.857  11.347
  126    HE3  TRP  16           3HE      TRP  16 -26.016   3.673   6.387
  127    HZ2  TRP  16           2HZ      TRP  16 -25.667   2.874  11.371
  128    HZ3  TRP  16           3HZ      TRP  16 -23.941   2.773   7.436
  129    HH2  TRP  16           HH       TRP  16 -23.728   2.372   9.837
  130    H    SER  17           H        SER  17 -31.374   3.018   5.506
  131    HA   SER  17           HA       SER  17 -31.095   0.621   7.094
  132   1HB   SER  17          1HB       SER  17 -33.134   2.626   6.738
  133   2HB   SER  17          2HB       SER  17 -33.814   1.083   6.260
  134    HG   SER  17           HG       SER  17 -33.958   1.696   8.614
  135    H    ILE  18           H        ILE  18 -29.929   0.580   4.454
  136    HA   ILE  18           HA       ILE  18 -31.526  -1.564   3.323
  137    HB   ILE  18           HB       ILE  18 -30.715   0.909   1.797
  138   1HG1  ILE  18          1HG1      ILE  18 -33.412  -0.366   2.340
  139   2HG1  ILE  18          2HG1      ILE  18 -32.811   1.130   3.026
  140   1HG2  ILE  18          1HG2      ILE  18 -30.263  -1.372   0.667
  141   2HG2  ILE  18          2HG2      ILE  18 -32.035  -1.494   0.555
  142   3HG2  ILE  18          3HG2      ILE  18 -31.185  -0.138  -0.225
  143   1HD1  ILE  18          1HD1      ILE  18 -32.877   2.268   0.928
  144   2HD1  ILE  18          2HD1      ILE  18 -32.989   0.744   0.015
  145   3HD1  ILE  18          3HD1      ILE  18 -34.379   1.313   0.970
  146    H    THR  19           H        THR  19 -28.577   0.486   2.737
  147    HA   THR  19           HA       THR  19 -27.013  -1.380   1.527
  148    HB   THR  19           HB       THR  19 -26.440   0.895   3.475
  149    HG1  THR  19           1HG      THR  19 -26.967   1.675   1.440
  150   1HG2  THR  19          1HG2      THR  19 -24.087   0.721   2.300
  151   2HG2  THR  19          2HG2      THR  19 -24.403  -0.326   3.704
  152   3HG2  THR  19          3HG2      THR  19 -24.516  -0.989   2.055
  153    H    GLN  20           H        GLN  20 -27.140  -0.829   5.115
  154    HA   GLN  20           HA       GLN  20 -25.444  -2.704   5.907
  155   1HB   GLN  20          1HB       GLN  20 -28.169  -2.038   7.096
  156   2HB   GLN  20          2HB       GLN  20 -26.972  -3.005   7.934
  157   1HG   GLN  20          1HG       GLN  20 -26.093  -0.348   6.809
  158   2HG   GLN  20          2HG       GLN  20 -27.102  -0.334   8.241
  159   1HE2  GLN  20          1HE2      GLN  20 -24.514   0.613   8.229
  160   2HE2  GLN  20          2HE2      GLN  20 -23.499  -0.382   9.217
  161    H    ALA  21           H        ALA  21 -28.997  -3.370   5.441
  162    HA   ALA  21           HA       ALA  21 -29.065  -6.011   5.879
  163   1HB   ALA  21          1HB       ALA  21 -31.075  -4.879   5.341
  164   2HB   ALA  21          2HB       ALA  21 -30.432  -4.294   3.789
  165   3HB   ALA  21          3HB       ALA  21 -30.832  -6.016   3.993
  166    H    ILE  22           H        ILE  22 -27.697  -4.343   3.014
  167    HA   ILE  22           HA       ILE  22 -27.203  -6.844   1.678
  168    HB   ILE  22           HB       ILE  22 -26.593  -3.960   1.068
  169   1HG1  ILE  22          1HG1      ILE  22 -28.157  -5.629  -0.796
  170   2HG1  ILE  22          2HG1      ILE  22 -28.906  -5.406   0.773
  171   1HG2  ILE  22          1HG2      ILE  22 -24.944  -4.566  -0.285
  172   2HG2  ILE  22          2HG2      ILE  22 -25.207  -6.286   0.087
  173   3HG2  ILE  22          3HG2      ILE  22 -26.116  -5.512  -1.233
  174   1HD1  ILE  22          1HD1      ILE  22 -27.732  -2.906  -0.261
  175   2HD1  ILE  22          2HD1      ILE  22 -28.976  -3.583  -1.339
  176   3HD1  ILE  22          3HD1      ILE  22 -29.371  -3.218   0.358
  177    H    GLU  23           H        GLU  23 -25.178  -4.181   3.100
  178    HA   GLU  23           HA       GLU  23 -22.759  -5.271   2.749
  179   1HB   GLU  23          1HB       GLU  23 -23.616  -3.074   3.998
  180   2HB   GLU  23          2HB       GLU  23 -23.378  -4.046   5.437
  181   1HG   GLU  23          1HG       GLU  23 -21.125  -4.194   3.502
  182   2HG   GLU  23          2HG       GLU  23 -21.395  -2.589   4.152
  183    H    TYR  24           H        TYR  24 -25.325  -6.410   4.877
  184    HA   TYR  24           HA       TYR  24 -23.725  -7.906   6.649
  185   1HB   TYR  24          1HB       TYR  24 -26.583  -7.660   5.685
  186   2HB   TYR  24          2HB       TYR  24 -26.192  -9.173   6.477
  187    HD1  TYR  24           1HD      TYR  24 -27.411  -5.941   7.003
  188    HD2  TYR  24           2HD      TYR  24 -24.840  -8.854   8.793
  189    HE1  TYR  24           1HE      TYR  24 -27.737  -4.844   9.273
  190    HE2  TYR  24           2HE      TYR  24 -25.175  -7.748  11.057
  191    HH   TYR  24           HH       TYR  24 -27.616  -5.661  11.699
  192    H    ASN  25           H        ASN  25 -25.372  -8.681   3.527
  193    HA   ASN  25           HA       ASN  25 -23.700 -11.060   3.454
  194   1HB   ASN  25          1HB       ASN  25 -26.688 -10.812   3.063
  195   2HB   ASN  25          2HB       ASN  25 -25.836 -11.952   2.040
  196   1HD2  ASN  25          1HD2      ASN  25 -24.126 -13.279   3.300
  197   2HD2  ASN  25          2HD2      ASN  25 -24.670 -14.021   4.767
  198    H    LEU  26           H        LEU  26 -22.385  -9.429   2.120
  199    HA   LEU  26           HA       LEU  26 -23.557  -9.077  -0.551
  200   1HB   LEU  26          1HB       LEU  26 -22.802  -7.098   1.050
  201   2HB   LEU  26          2HB       LEU  26 -21.224  -7.476   0.388
  202    HG   LEU  26           HG       LEU  26 -23.620  -6.915  -1.369
  203   1HD1  LEU  26          1HD1      LEU  26 -23.191  -4.643  -1.407
  204   2HD1  LEU  26          2HD1      LEU  26 -22.952  -5.043   0.311
  205   3HD1  LEU  26          3HD1      LEU  26 -21.544  -4.831  -0.758
  206   1HD2  LEU  26          1HD2      LEU  26 -22.114  -6.704  -3.138
  207   2HD2  LEU  26          2HD2      LEU  26 -20.713  -6.522  -2.056
  208   3HD2  LEU  26          3HD2      LEU  26 -21.506  -8.107  -2.227
  209    H    LYS  27           H        LYS  27 -20.247  -9.250   0.947
  210    HA   LYS  27           HA       LYS  27 -19.624 -11.264  -1.099
  211   1HB   LYS  27          1HB       LYS  27 -17.406 -10.336  -1.302
  212   2HB   LYS  27          2HB       LYS  27 -18.591  -9.085  -1.618
  213   1HG   LYS  27          1HG       LYS  27 -17.700  -7.811   0.029
  214   2HG   LYS  27          2HG       LYS  27 -18.089  -9.048   1.208
  215   1HD   LYS  27          1HD       LYS  27 -15.938 -10.244   0.583
  216   2HD   LYS  27          2HD       LYS  27 -15.541  -8.901  -0.470
  217   1HE   LYS  27          1HE       LYS  27 -16.281  -8.197   2.354
  218   2HE   LYS  27          2HE       LYS  27 -14.754  -9.029   2.137
  219   1HZ   LYS  27          1HZ       LYS  27 -13.925  -7.322   0.901
  220   2HZ   LYS  27          2HZ       LYS  27 -15.383  -6.778   0.406
  221   3HZ   LYS  27          3HZ       LYS  27 -14.877  -6.486   1.931
  222    H    ARG  28           H        ARG  28 -20.671 -12.426   0.969
  223    HA   ARG  28           HA       ARG  28 -18.396 -13.085   2.665
  224   1HB   ARG  28          1HB       ARG  28 -21.031 -12.193   3.396
  225   2HB   ARG  28          2HB       ARG  28 -20.924 -13.878   3.866
  226   1HG   ARG  28          1HG       ARG  28 -18.483 -13.003   4.745
  227   2HG   ARG  28          2HG       ARG  28 -19.397 -11.516   4.896
  228   1HD   ARG  28          1HD       ARG  28 -20.797 -12.370   6.554
  229   2HD   ARG  28          2HD       ARG  28 -20.720 -14.007   5.934
  230    HE   ARG  28           HE       ARG  28 -18.838 -14.406   7.272
  231   1HH1  ARG  28          1HH1      ARG  28 -16.953 -12.227   9.240
  232   2HH1  ARG  28          2HH1      ARG  28 -17.250 -13.883   8.829
  233   1HH2  ARG  28          1HH2      ARG  28 -18.167 -10.540   8.209
  234   2HH2  ARG  28          2HH2      ARG  28 -19.371 -10.937   7.028
  235    H    THR  29           H        THR  29 -18.611 -15.424   3.609
  236    HA   THR  29           HA       THR  29 -18.714 -17.615   3.251
  237    HB   THR  29           HB       THR  29 -21.272 -16.791   1.781
  238    HG1  THR  29           1HG      THR  29 -22.085 -17.065   3.892
  239   1HG2  THR  29          1HG2      THR  29 -21.266 -19.024   1.150
  240   2HG2  THR  29          2HG2      THR  29 -20.035 -19.460   2.359
  241   3HG2  THR  29          3HG2      THR  29 -21.737 -19.279   2.847
  242    HA   PRO  30           HA       PRO  30 -16.661 -17.361  -0.688
  243   1HB   PRO  30          1HB       PRO  30 -14.312 -18.509   0.109
  244   2HB   PRO  30          2HB       PRO  30 -14.585 -16.778   0.121
  245   1HG   PRO  30          1HG       PRO  30 -14.526 -18.661   2.399
  246   2HG   PRO  30          2HG       PRO  30 -14.372 -16.915   2.413
  247   1HD   PRO  30          1HD       PRO  30 -16.691 -18.438   3.140
  248   2HD   PRO  30          2HD       PRO  30 -16.572 -16.693   3.042
  249    H    ARG  31           H        ARG  31 -18.147 -18.734  -1.673
  250    HA   ARG  31           HA       ARG  31 -17.188 -21.471  -1.520
  251   1HB   ARG  31          1HB       ARG  31 -19.743 -20.514  -0.616
  252   2HB   ARG  31          2HB       ARG  31 -20.042 -21.419  -2.086
  253   1HG   ARG  31          1HG       ARG  31 -18.442 -23.227  -1.007
  254   2HG   ARG  31          2HG       ARG  31 -18.767 -22.382   0.493
  255   1HD   ARG  31          1HD       ARG  31 -21.117 -23.129  -1.255
  256   2HD   ARG  31          2HD       ARG  31 -20.333 -24.400  -0.338
  257    HE   ARG  31           HE       ARG  31 -21.109 -23.432   1.673
  258   1HH1  ARG  31          1HH1      ARG  31 -23.166 -20.647   2.109
  259   2HH1  ARG  31          2HH1      ARG  31 -22.465 -22.036   2.870
  260   1HH2  ARG  31          1HH2      ARG  31 -22.728 -20.204  -0.127
  261   2HH2  ARG  31          2HH2      ARG  31 -21.699 -21.262  -1.034
  262    H    ARG  32           H        ARG  32 -17.564 -22.730  -3.520
  263    HA   ARG  32           HA       ARG  32 -18.024 -20.948  -5.774
  264   1HB   ARG  32          1HB       ARG  32 -16.123 -23.246  -5.315
  265   2HB   ARG  32          2HB       ARG  32 -16.725 -23.018  -6.945
  266   1HG   ARG  32          1HG       ARG  32 -15.583 -21.029  -7.245
  267   2HG   ARG  32          2HG       ARG  32 -15.795 -20.527  -5.579
  268   1HD   ARG  32          1HD       ARG  32 -13.593 -21.076  -5.311
  269   2HD   ARG  32          2HD       ARG  32 -14.142 -22.740  -5.279
  270    HE   ARG  32           HE       ARG  32 -12.732 -21.410  -7.471
  271   1HH1  ARG  32          1HH1      ARG  32 -12.893 -24.215  -9.540
  272   2HH1  ARG  32          2HH1      ARG  32 -12.162 -22.664  -9.294
  273   1HH2  ARG  32          1HH2      ARG  32 -14.450 -25.019  -8.018
  274   2HH2  ARG  32          2HH2      ARG  32 -14.881 -24.068  -6.636
  Start of MODEL   11
    1    H    THR   1           H        THR   1 -30.942  27.366   6.139
    2    HA   THR   1           HA       THR   1 -28.360  26.181   5.407
    3    HB   THR   1           HB       THR   1 -29.396  27.721   7.840
    4    HG1  THR   1           1HG      THR   1 -28.383  29.312   6.672
    5   1HG2  THR   1          1HG2      THR   1 -27.761  26.277   8.823
    6   2HG2  THR   1          2HG2      THR   1 -26.780  26.241   7.338
    7   3HG2  THR   1          3HG2      THR   1 -26.817  27.709   8.345
    8    H    SER   2           H        SER   2 -30.950  25.850   7.929
    9    HA   SER   2           HA       SER   2 -29.976  23.188   8.413
   10   1HB   SER   2          1HB       SER   2 -31.607  23.181  10.275
   11   2HB   SER   2          2HB       SER   2 -30.579  24.599  10.337
   12    HG   SER   2           HG       SER   2 -32.933  24.987  10.664
   13    H    SER   3           H        SER   3 -31.515  24.254   5.883
   14    HA   SER   3           HA       SER   3 -33.778  22.441   6.050
   15   1HB   SER   3          1HB       SER   3 -34.081  24.864   5.301
   16   2HB   SER   3          2HB       SER   3 -33.150  24.475   3.869
   17    HG   SER   3           HG       SER   3 -35.686  24.275   3.948
   18    H    ILE   4           H        ILE   4 -30.649  23.044   4.494
   19    HA   ILE   4           HA       ILE   4 -31.057  21.134   2.407
   20    HB   ILE   4           HB       ILE   4 -28.608  22.573   3.427
   21   1HG1  ILE   4          1HG1      ILE   4 -30.454  23.953   2.416
   22   2HG1  ILE   4          2HG1      ILE   4 -28.898  24.076   1.619
   23   1HG2  ILE   4          1HG2      ILE   4 -27.556  21.866   1.293
   24   2HG2  ILE   4          2HG2      ILE   4 -27.889  20.515   2.404
   25   3HG2  ILE   4          3HG2      ILE   4 -28.946  20.794   0.999
   26   1HD1  ILE   4          1HD1      ILE   4 -29.619  22.470  -0.120
   27   2HD1  ILE   4          2HD1      ILE   4 -31.182  22.266   0.707
   28   3HD1  ILE   4          3HD1      ILE   4 -30.758  23.835  -0.020
   29    H    VAL   5           H        VAL   5 -28.961  21.240   5.378
   30    HA   VAL   5           HA       VAL   5 -27.967  18.724   5.272
   31    HB   VAL   5           HB       VAL   5 -28.896  20.348   7.645
   32   1HG1  VAL   5          1HG1      VAL   5 -28.577  17.805   8.014
   33   2HG1  VAL   5          2HG1      VAL   5 -26.844  18.139   7.787
   34   3HG1  VAL   5          3HG1      VAL   5 -27.738  18.932   9.106
   35   1HG2  VAL   5          1HG2      VAL   5 -27.178  21.379   6.158
   36   2HG2  VAL   5          2HG2      VAL   5 -26.593  21.065   7.810
   37   3HG2  VAL   5          3HG2      VAL   5 -26.117  19.985   6.477
   38    H    HIS   6           H        HIS   6 -31.111  19.725   6.793
   39    HA   HIS   6           HA       HIS   6 -31.930  17.300   7.674
   40   1HB   HIS   6          1HB       HIS   6 -33.035  19.829   7.358
   41   2HB   HIS   6          2HB       HIS   6 -34.091  18.811   6.399
   42    HD1  HIS   6           1HD      HIS   6 -32.464  18.435   9.869
   43    HD2  HIS   6           2HD      HIS   6 -36.157  17.947   7.939
   44    HE1  HIS   6           1HE      HIS   6 -34.101  17.626  11.651
   45    HE2  HIS   6           2HE      HIS   6 -36.364  17.397  10.418
   46    H    LEU   7           H        LEU   7 -32.760  18.703   4.418
   47    HA   LEU   7           HA       LEU   7 -33.986  16.491   3.389
   48   1HB   LEU   7          1HB       LEU   7 -34.124  18.520   2.232
   49   2HB   LEU   7          2HB       LEU   7 -32.383  18.710   2.153
   50    HG   LEU   7           HG       LEU   7 -32.396  16.616   0.650
   51   1HD1  LEU   7          1HD1      LEU   7 -35.132  17.277  -0.224
   52   2HD1  LEU   7          2HD1      LEU   7 -34.304  15.706  -0.105
   53   3HD1  LEU   7          3HD1      LEU   7 -35.022  16.446   1.346
   54   1HD2  LEU   7          1HD2      LEU   7 -32.164  18.010  -1.089
   55   2HD2  LEU   7          2HD2      LEU   7 -33.784  18.715  -0.875
   56   3HD2  LEU   7          3HD2      LEU   7 -32.423  19.295   0.115
   57    H    CYS   8           H        CYS   8 -30.458  17.329   3.258
   58    HA   CYS   8           HA       CYS   8 -29.677  15.084   1.859
   59   1HB   CYS   8          1HB       CYS   8 -28.217  16.851   3.833
   60   2HB   CYS   8          2HB       CYS   8 -27.427  15.505   3.035
   61    HG   CYS   8           HG       CYS   8 -27.108  16.455   0.875
   62    H    ALA   9           H        ALA   9 -30.588  15.607   5.254
   63    HA   ALA   9           HA       ALA   9 -29.647  12.939   5.969
   64   1HB   ALA   9          1HB       ALA   9 -29.493  15.293   7.305
   65   2HB   ALA   9          2HB       ALA   9 -31.045  14.692   7.935
   66   3HB   ALA   9          3HB       ALA   9 -29.570  13.713   8.120
   67    H    ILE  10           H        ILE  10 -31.729  13.077   4.007
   68    HA   ILE  10           HA       ILE  10 -33.826  11.761   5.540
   69    HB   ILE  10           HB       ILE  10 -34.146  14.207   3.860
   70   1HG1  ILE  10          1HG1      ILE  10 -35.655  13.284   6.316
   71   2HG1  ILE  10          2HG1      ILE  10 -34.149  14.176   6.400
   72   1HG2  ILE  10          1HG2      ILE  10 -35.866  11.806   3.736
   73   2HG2  ILE  10          2HG2      ILE  10 -36.712  13.348   4.007
   74   3HG2  ILE  10          3HG2      ILE  10 -35.665  13.146   2.582
   75   1HD1  ILE  10          1HD1      ILE  10 -36.771  15.095   5.147
   76   2HD1  ILE  10          2HD1      ILE  10 -35.925  15.802   6.545
   77   3HD1  ILE  10          3HD1      ILE  10 -35.232  15.959   4.913
   78    H    SER  11           H        SER  11 -32.522  12.676   2.287
   79    HA   SER  11           HA       SER  11 -33.768  10.515   1.017
   80   1HB   SER  11          1HB       SER  11 -32.725  12.747   0.064
   81   2HB   SER  11          2HB       SER  11 -31.237  11.825  -0.010
   82    HG   SER  11           HG       SER  11 -33.726  10.949  -1.203
   83    H    LEU  12           H        LEU  12 -30.470  11.092   2.378
   84    HA   LEU  12           HA       LEU  12 -29.321   8.717   1.485
   85   1HB   LEU  12          1HB       LEU  12 -28.734  10.491   3.853
   86   2HB   LEU  12          2HB       LEU  12 -27.736   9.122   3.404
   87    HG   LEU  12           HG       LEU  12 -28.323  11.416   1.519
   88   1HD1  LEU  12          1HD1      LEU  12 -27.220  12.270   3.547
   89   2HD1  LEU  12          2HD1      LEU  12 -25.910  11.085   3.324
   90   3HD1  LEU  12          3HD1      LEU  12 -26.168  12.365   2.114
   91   1HD2  LEU  12          1HD2      LEU  12 -27.599   9.626   0.226
   92   2HD2  LEU  12          2HD2      LEU  12 -26.099  10.530   0.541
   93   3HD2  LEU  12          3HD2      LEU  12 -26.460   9.053   1.468
   94    H    ASP  13           H        ASP  13 -31.119   9.525   4.515
   95    HA   ASP  13           HA       ASP  13 -30.771   7.342   5.958
   96   1HB   ASP  13          1HB       ASP  13 -32.689   9.392   5.814
   97   2HB   ASP  13          2HB       ASP  13 -33.654   7.934   5.697
   98    H    ARG  14           H        ARG  14 -33.347   7.715   3.396
   99    HA   ARG  14           HA       ARG  14 -34.489   5.343   3.447
  100   1HB   ARG  14          1HB       ARG  14 -34.031   7.394   1.434
  101   2HB   ARG  14          2HB       ARG  14 -33.982   5.823   0.659
  102   1HG   ARG  14          1HG       ARG  14 -36.172   5.494   2.292
  103   2HG   ARG  14          2HG       ARG  14 -36.271   7.216   1.982
  104   1HD   ARG  14          1HD       ARG  14 -37.365   6.581   0.068
  105   2HD   ARG  14          2HD       ARG  14 -35.753   6.302  -0.559
  106    HE   ARG  14           HE       ARG  14 -36.068   3.967  -0.345
  107   1HH1  ARG  14          1HH1      ARG  14 -38.943   2.241   0.625
  108   2HH1  ARG  14          2HH1      ARG  14 -37.378   2.109  -0.106
  109   1HH2  ARG  14          1HH2      ARG  14 -39.709   4.305   1.360
  110   2HH2  ARG  14          2HH2      ARG  14 -38.717   5.712   1.179
  111    H    TYR  15           H        TYR  15 -31.327   6.107   1.856
  112    HA   TYR  15           HA       TYR  15 -30.966   3.291   1.209
  113   1HB   TYR  15          1HB       TYR  15 -29.160   5.753   0.819
  114   2HB   TYR  15          2HB       TYR  15 -29.046   4.244  -0.065
  115    HD1  TYR  15           1HD      TYR  15 -31.066   3.593  -1.565
  116    HD2  TYR  15           2HD      TYR  15 -30.424   7.538  -0.039
  117    HE1  TYR  15           1HE      TYR  15 -32.578   4.547  -3.374
  118    HE2  TYR  15           2HE      TYR  15 -31.938   8.478  -1.852
  119    HH   TYR  15           HH       TYR  15 -32.591   7.237  -4.474
  120    H    TRP  16           H        TRP  16 -31.083   3.565   3.953
  121    HA   TRP  16           HA       TRP  16 -28.252   3.542   4.745
  122   1HB   TRP  16          1HB       TRP  16 -29.467   5.284   5.869
  123   2HB   TRP  16          2HB       TRP  16 -30.741   4.174   6.334
  124    HD1  TRP  16           HD       TRP  16 -30.515   3.641   8.873
  125    HE1  TRP  16           1HE      TRP  16 -28.615   3.209  10.652
  126    HE3  TRP  16           3HE      TRP  16 -26.630   4.323   5.664
  127    HZ2  TRP  16           2HZ      TRP  16 -25.764   3.201  10.521
  128    HZ3  TRP  16           3HZ      TRP  16 -24.320   4.085   6.570
  129    HH2  TRP  16           HH       TRP  16 -23.856   3.544   8.908
  130    H    SER  17           H        SER  17 -31.486   2.099   5.608
  131    HA   SER  17           HA       SER  17 -30.470  -0.107   6.860
  132   1HB   SER  17          1HB       SER  17 -32.915   0.804   6.661
  133   2HB   SER  17          2HB       SER  17 -33.025  -0.191   5.223
  134    HG   SER  17           HG       SER  17 -32.026  -1.873   6.940
  135    H    ILE  18           H        ILE  18 -31.586   0.253   3.415
  136    HA   ILE  18           HA       ILE  18 -31.212  -2.229   2.474
  137    HB   ILE  18           HB       ILE  18 -30.589   0.440   1.231
  138   1HG1  ILE  18          1HG1      ILE  18 -32.807  -1.159   0.189
  139   2HG1  ILE  18          2HG1      ILE  18 -32.984  -0.803   1.895
  140   1HG2  ILE  18          1HG2      ILE  18 -30.703  -2.226  -0.205
  141   2HG2  ILE  18          2HG2      ILE  18 -30.469  -0.621  -0.937
  142   3HG2  ILE  18          3HG2      ILE  18 -29.219  -1.302   0.131
  143   1HD1  ILE  18          1HD1      ILE  18 -33.610   0.930  -0.196
  144   2HD1  ILE  18          2HD1      ILE  18 -33.387   1.403   1.505
  145   3HD1  ILE  18          3HD1      ILE  18 -32.029   1.530   0.361
  146    H    THR  19           H        THR  19 -28.574   0.278   2.552
  147    HA   THR  19           HA       THR  19 -26.546  -1.505   1.833
  148    HB   THR  19           HB       THR  19 -26.649   1.176   3.294
  149    HG1  THR  19           1HG      THR  19 -27.163   1.166   1.030
  150   1HG2  THR  19          1HG2      THR  19 -24.130   0.253   1.959
  151   2HG2  THR  19          2HG2      THR  19 -24.335   1.289   3.392
  152   3HG2  THR  19          3HG2      THR  19 -24.469  -0.479   3.546
  153    H    GLN  20           H        GLN  20 -27.769  -0.503   5.078
  154    HA   GLN  20           HA       GLN  20 -25.851  -2.198   6.331
  155   1HB   GLN  20          1HB       GLN  20 -26.572  -0.096   7.401
  156   2HB   GLN  20          2HB       GLN  20 -28.233  -0.654   7.446
  157   1HG   GLN  20          1HG       GLN  20 -27.859  -1.745   9.396
  158   2HG   GLN  20          2HG       GLN  20 -26.577  -2.687   8.661
  159   1HE2  GLN  20          1HE2      GLN  20 -24.561  -2.373   9.271
  160   2HE2  GLN  20          2HE2      GLN  20 -23.963  -1.065  10.235
  161    H    ALA  21           H        ALA  21 -26.935  -3.948   4.694
  162    HA   ALA  21           HA       ALA  21 -28.219  -5.799   6.393
  163   1HB   ALA  21          1HB       ALA  21 -30.302  -5.949   4.847
  164   2HB   ALA  21          2HB       ALA  21 -30.260  -4.662   6.076
  165   3HB   ALA  21          3HB       ALA  21 -29.891  -4.282   4.377
  166    H    ILE  22           H        ILE  22 -27.637  -4.702   2.996
  167    HA   ILE  22           HA       ILE  22 -27.476  -7.326   1.969
  168    HB   ILE  22           HB       ILE  22 -26.646  -4.613   0.968
  169   1HG1  ILE  22          1HG1      ILE  22 -28.765  -6.474  -0.116
  170   2HG1  ILE  22          2HG1      ILE  22 -29.096  -5.353   1.189
  171   1HG2  ILE  22          1HG2      ILE  22 -26.291  -5.731  -1.250
  172   2HG2  ILE  22          2HG2      ILE  22 -25.051  -6.087  -0.023
  173   3HG2  ILE  22          3HG2      ILE  22 -26.306  -7.293  -0.397
  174   1HD1  ILE  22          1HD1      ILE  22 -27.800  -4.406  -1.392
  175   2HD1  ILE  22          2HD1      ILE  22 -29.567  -4.543  -1.232
  176   3HD1  ILE  22          3HD1      ILE  22 -28.660  -3.442  -0.167
  177    H    GLU  23           H        GLU  23 -24.888  -4.845   2.593
  178    HA   GLU  23           HA       GLU  23 -22.785  -6.498   2.117
  179   1HB   GLU  23          1HB       GLU  23 -22.721  -4.002   2.501
  180   2HB   GLU  23          2HB       GLU  23 -22.895  -4.292   4.221
  181   1HG   GLU  23          1HG       GLU  23 -20.780  -6.000   3.418
  182   2HG   GLU  23          2HG       GLU  23 -20.502  -4.509   2.539
  183    H    TYR  24           H        TYR  24 -25.057  -6.554   4.764
  184    HA   TYR  24           HA       TYR  24 -23.471  -7.637   6.783
  185   1HB   TYR  24          1HB       TYR  24 -26.052  -6.792   6.434
  186   2HB   TYR  24          2HB       TYR  24 -26.335  -8.509   6.222
  187    HD1  TYR  24           1HD      TYR  24 -25.210  -5.920   8.615
  188    HD2  TYR  24           2HD      TYR  24 -26.273 -10.031   8.090
  189    HE1  TYR  24           1HE      TYR  24 -25.318  -6.222  11.137
  190    HE2  TYR  24           2HE      TYR  24 -26.378 -10.319  10.614
  191    HH   TYR  24           HH       TYR  24 -25.268  -9.150  12.604
  192    H    ASN  25           H        ASN  25 -25.105  -9.124   3.956
  193    HA   ASN  25           HA       ASN  25 -23.586 -11.514   4.527
  194   1HB   ASN  25          1HB       ASN  25 -26.516 -11.278   4.711
  195   2HB   ASN  25          2HB       ASN  25 -26.063 -12.460   3.500
  196   1HD2  ASN  25          1HD2      ASN  25 -25.831 -11.519   6.860
  197   2HD2  ASN  25          2HD2      ASN  25 -25.362 -13.052   7.516
  198    H    LEU  26           H        LEU  26 -22.324 -10.685   2.656
  199    HA   LEU  26           HA       LEU  26 -23.758 -11.057   0.121
  200   1HB   LEU  26          1HB       LEU  26 -23.433  -8.746   0.268
  201   2HB   LEU  26          2HB       LEU  26 -21.829  -8.912   0.952
  202    HG   LEU  26           HG       LEU  26 -21.976 -10.121  -1.693
  203   1HD1  LEU  26          1HD1      LEU  26 -23.536  -8.636  -2.476
  204   2HD1  LEU  26          2HD1      LEU  26 -23.057  -7.353  -1.339
  205   3HD1  LEU  26          3HD1      LEU  26 -22.040  -7.713  -2.755
  206   1HD2  LEU  26          1HD2      LEU  26 -20.060  -8.503  -2.060
  207   2HD2  LEU  26          2HD2      LEU  26 -20.287  -7.993  -0.370
  208   3HD2  LEU  26          3HD2      LEU  26 -19.859  -9.680  -0.740
  209    H    LYS  27           H        LYS  27 -20.451 -10.899   1.625
  210    HA   LYS  27           HA       LYS  27 -19.778 -13.217  -0.051
  211   1HB   LYS  27          1HB       LYS  27 -17.474 -12.403  -0.071
  212   2HB   LYS  27          2HB       LYS  27 -18.570 -11.226  -0.765
  213   1HG   LYS  27          1HG       LYS  27 -18.155  -9.686   0.877
  214   2HG   LYS  27          2HG       LYS  27 -18.237 -10.883   2.154
  215   1HD   LYS  27          1HD       LYS  27 -15.924 -11.680   1.493
  216   2HD   LYS  27          2HD       LYS  27 -15.849 -10.383   0.316
  217   1HE   LYS  27          1HE       LYS  27 -15.968  -8.681   2.048
  218   2HE   LYS  27          2HE       LYS  27 -16.385  -9.863   3.273
  219   1HZ   LYS  27          1HZ       LYS  27 -14.262 -10.669   3.308
  220   2HZ   LYS  27          2HZ       LYS  27 -13.888 -10.156   1.803
  221   3HZ   LYS  27          3HZ       LYS  27 -13.974  -9.085   3.033
  222    H    ARG  28           H        ARG  28 -21.029 -14.155   1.975
  223    HA   ARG  28           HA       ARG  28 -18.919 -14.848   3.840
  224   1HB   ARG  28          1HB       ARG  28 -20.708 -13.128   4.732
  225   2HB   ARG  28          2HB       ARG  28 -21.795 -14.502   4.776
  226   1HG   ARG  28          1HG       ARG  28 -19.219 -15.203   5.978
  227   2HG   ARG  28          2HG       ARG  28 -19.877 -13.769   6.740
  228   1HD   ARG  28          1HD       ARG  28 -21.987 -15.758   6.321
  229   2HD   ARG  28          2HD       ARG  28 -20.651 -16.462   7.210
  230    HE   ARG  28           HE       ARG  28 -20.982 -14.069   8.510
  231   1HH1  ARG  28          1HH1      ARG  28 -23.846 -14.599  10.432
  232   2HH1  ARG  28          2HH1      ARG  28 -22.402 -13.658  10.251
  233   1HH2  ARG  28          1HH2      ARG  28 -24.336 -16.276   8.904
  234   2HH2  ARG  28          2HH2      ARG  28 -23.258 -16.587   7.584
  235    H    THR  29           H        THR  29 -18.714 -17.070   4.021
  236    HA   THR  29           HA       THR  29 -19.087 -19.204   3.387
  237    HB   THR  29           HB       THR  29 -21.008 -20.138   4.723
  238    HG1  THR  29           1HG      THR  29 -22.656 -18.695   5.033
  239   1HG2  THR  29          1HG2      THR  29 -18.949 -19.444   5.993
  240   2HG2  THR  29          2HG2      THR  29 -19.614 -17.799   6.132
  241   3HG2  THR  29          3HG2      THR  29 -20.431 -19.161   6.936
  242    HA   PRO  30           HA       PRO  30 -21.796 -18.324  -0.129
  243   1HB   PRO  30          1HB       PRO  30 -19.927 -18.467  -2.117
  244   2HB   PRO  30          2HB       PRO  30 -20.440 -16.957  -1.392
  245   1HG   PRO  30          1HG       PRO  30 -17.919 -18.446  -0.984
  246   2HG   PRO  30          2HG       PRO  30 -18.275 -16.770  -0.619
  247   1HD   PRO  30          1HD       PRO  30 -18.119 -18.937   1.253
  248   2HD   PRO  30          2HD       PRO  30 -18.587 -17.284   1.600
  249    H    ARG  31           H        ARG  31 -23.024 -19.873  -1.024
  250    HA   ARG  31           HA       ARG  31 -21.679 -22.452  -1.075
  251   1HB   ARG  31          1HB       ARG  31 -24.130 -21.654   0.119
  252   2HB   ARG  31          2HB       ARG  31 -24.607 -22.571  -1.296
  253   1HG   ARG  31          1HG       ARG  31 -22.384 -23.828   0.210
  254   2HG   ARG  31          2HG       ARG  31 -23.847 -23.657   1.159
  255   1HD   ARG  31          1HD       ARG  31 -25.159 -24.888  -0.491
  256   2HD   ARG  31          2HD       ARG  31 -23.842 -24.860  -1.647
  257    HE   ARG  31           HE       ARG  31 -22.662 -26.130   0.465
  258   1HH1  ARG  31          1HH1      ARG  31 -24.077 -29.319   0.412
  259   2HH1  ARG  31          2HH1      ARG  31 -22.729 -28.365   0.934
  260   1HH2  ARG  31          1HH2      ARG  31 -25.815 -28.327  -0.763
  261   2HH2  ARG  31          2HH2      ARG  31 -25.764 -26.633  -1.119
  262    H    ARG  32           H        ARG  32 -20.816 -22.152  -3.241
  263    HA   ARG  32           HA       ARG  32 -22.834 -21.791  -5.288
  264   1HB   ARG  32          1HB       ARG  32 -19.837 -21.409  -5.158
  265   2HB   ARG  32          2HB       ARG  32 -20.551 -21.751  -6.721
  266   1HG   ARG  32          1HG       ARG  32 -22.104 -19.821  -6.453
  267   2HG   ARG  32          2HG       ARG  32 -21.439 -19.491  -4.866
  268   1HD   ARG  32          1HD       ARG  32 -19.496 -19.650  -7.164
  269   2HD   ARG  32          2HD       ARG  32 -20.538 -18.243  -7.092
  270    HE   ARG  32           HE       ARG  32 -19.260 -18.864  -4.528
  271   1HH1  ARG  32          1HH1      ARG  32 -17.066 -16.161  -4.761
  272   2HH1  ARG  32          2HH1      ARG  32 -17.725 -17.378  -3.719
  273   1HH2  ARG  32          1HH2      ARG  32 -17.743 -16.040  -6.978
  274   2HH2  ARG  32          2HH2      ARG  32 -18.907 -17.167  -7.591
  Start of MODEL   12
    1    H    THR   1           H        THR   1 -27.227  26.310   4.748
    2    HA   THR   1           HA       THR   1 -25.083  24.508   3.858
    3    HB   THR   1           HB       THR   1 -25.044  26.620   6.067
    4    HG1  THR   1           1HG      THR   1 -24.398  26.887   3.671
    5   1HG2  THR   1          1HG2      THR   1 -23.193  24.238   5.557
    6   2HG2  THR   1          2HG2      THR   1 -22.674  25.690   6.446
    7   3HG2  THR   1          3HG2      THR   1 -23.989  24.677   7.087
    8    H    SER   2           H        SER   2 -27.148  25.460   6.686
    9    HA   SER   2           HA       SER   2 -27.052  22.732   7.562
   10   1HB   SER   2          1HB       SER   2 -28.277  23.542   9.525
   11   2HB   SER   2          2HB       SER   2 -26.922  24.603   9.193
   12    HG   SER   2           HG       SER   2 -28.423  26.139   9.295
   13    H    SER   3           H        SER   3 -28.867  24.580   5.355
   14    HA   SER   3           HA       SER   3 -31.327  23.171   5.893
   15   1HB   SER   3          1HB       SER   3 -31.512  25.549   5.370
   16   2HB   SER   3          2HB       SER   3 -30.586  25.350   3.896
   17    HG   SER   3           HG       SER   3 -32.599  23.611   3.678
   18    H    ILE   4           H        ILE   4 -29.157  21.482   5.173
   19    HA   ILE   4           HA       ILE   4 -30.162  20.489   2.625
   20    HB   ILE   4           HB       ILE   4 -27.266  21.076   3.234
   21   1HG1  ILE   4          1HG1      ILE   4 -28.945  21.946   0.871
   22   2HG1  ILE   4          2HG1      ILE   4 -28.777  22.907   2.326
   23   1HG2  ILE   4          1HG2      ILE   4 -28.251  19.667   0.758
   24   2HG2  ILE   4          2HG2      ILE   4 -26.590  19.829   1.375
   25   3HG2  ILE   4          3HG2      ILE   4 -27.751  18.772   2.213
   26   1HD1  ILE   4          1HD1      ILE   4 -27.138  23.449   0.428
   27   2HD1  ILE   4          2HD1      ILE   4 -26.402  23.156   2.022
   28   3HD1  ILE   4          3HD1      ILE   4 -26.363  21.885   0.776
   29    H    VAL   5           H        VAL   5 -27.679  19.850   5.208
   30    HA   VAL   5           HA       VAL   5 -27.580  17.173   5.103
   31    HB   VAL   5           HB       VAL   5 -27.632  19.031   7.479
   32   1HG1  VAL   5          1HG1      VAL   5 -27.356  16.056   7.375
   33   2HG1  VAL   5          2HG1      VAL   5 -26.291  16.956   8.481
   34   3HG1  VAL   5          3HG1      VAL   5 -28.058  17.100   8.634
   35   1HG2  VAL   5          1HG2      VAL   5 -25.546  19.518   6.864
   36   2HG2  VAL   5          2HG2      VAL   5 -25.098  17.800   6.982
   37   3HG2  VAL   5          3HG2      VAL   5 -25.715  18.455   5.447
   38    H    HIS   6           H        HIS   6 -29.947  18.979   7.199
   39    HA   HIS   6           HA       HIS   6 -31.388  16.940   8.130
   40   1HB   HIS   6          1HB       HIS   6 -31.720  19.391   8.545
   41   2HB   HIS   6          2HB       HIS   6 -32.595  19.492   7.030
   42    HD1  HIS   6           1HD      HIS   6 -32.861  18.004  10.508
   43    HD2  HIS   6           2HD      HIS   6 -35.238  18.581   7.100
   44    HE1  HIS   6           1HE      HIS   6 -35.251  17.435  11.198
   45    HE2  HIS   6           2HE      HIS   6 -36.673  17.861   9.078
   46    H    LEU   7           H        LEU   7 -31.974  18.540   4.919
   47    HA   LEU   7           HA       LEU   7 -34.012  16.828   4.132
   48   1HB   LEU   7          1HB       LEU   7 -32.704  19.048   3.132
   49   2HB   LEU   7          2HB       LEU   7 -32.301  17.798   1.972
   50    HG   LEU   7           HG       LEU   7 -34.935  17.339   2.118
   51   1HD1  LEU   7          1HD1      LEU   7 -36.054  19.637   2.149
   52   2HD1  LEU   7          2HD1      LEU   7 -35.592  18.928   3.715
   53   3HD1  LEU   7          3HD1      LEU   7 -34.592  20.208   2.988
   54   1HD2  LEU   7          1HD2      LEU   7 -34.018  19.666   0.447
   55   2HD2  LEU   7          2HD2      LEU   7 -33.378  18.029   0.165
   56   3HD2  LEU   7          3HD2      LEU   7 -35.126  18.337   0.031
   57    H    CYS   8           H        CYS   8 -30.459  16.700   3.383
   58    HA   CYS   8           HA       CYS   8 -30.501  14.401   1.911
   59   1HB   CYS   8          1HB       CYS   8 -28.482  15.921   3.421
   60   2HB   CYS   8          2HB       CYS   8 -28.107  14.215   3.279
   61    HG   CYS   8           HG       CYS   8 -26.932  15.612   1.361
   62    H    ALA   9           H        ALA   9 -30.931  14.941   5.381
   63    HA   ALA   9           HA       ALA   9 -30.246  12.428   6.349
   64   1HB   ALA   9          1HB       ALA   9 -32.569  13.860   7.555
   65   2HB   ALA   9          2HB       ALA   9 -31.086  13.238   8.318
   66   3HB   ALA   9          3HB       ALA   9 -31.050  14.778   7.426
   67    H    ILE  10           H        ILE  10 -33.317  13.705   4.942
   68    HA   ILE  10           HA       ILE  10 -34.685  11.238   5.376
   69    HB   ILE  10           HB       ILE  10 -35.329  13.736   3.817
   70   1HG1  ILE  10          1HG1      ILE  10 -37.174  13.467   5.832
   71   2HG1  ILE  10          2HG1      ILE  10 -35.732  12.822   6.592
   72   1HG2  ILE  10          1HG2      ILE  10 -37.471  12.912   3.320
   73   2HG2  ILE  10          2HG2      ILE  10 -36.357  11.596   2.879
   74   3HG2  ILE  10          3HG2      ILE  10 -37.281  11.509   4.398
   75   1HD1  ILE  10          1HD1      ILE  10 -35.151  14.982   6.992
   76   2HD1  ILE  10          2HD1      ILE  10 -34.768  15.085   5.257
   77   3HD1  ILE  10          3HD1      ILE  10 -36.368  15.598   5.847
   78    H    SER  11           H        SER  11 -33.362  12.966   2.469
   79    HA   SER  11           HA       SER  11 -33.896  10.744   0.818
   80   1HB   SER  11          1HB       SER  11 -32.596  12.027  -0.884
   81   2HB   SER  11          2HB       SER  11 -33.837  12.998  -0.117
   82    HG   SER  11           HG       SER  11 -31.621  13.984  -0.348
   83    H    LEU  12           H        LEU  12 -32.722   9.312   2.605
   84    HA   LEU  12           HA       LEU  12 -30.400   8.312   1.455
   85   1HB   LEU  12          1HB       LEU  12 -29.201  10.207   2.162
   86   2HB   LEU  12          2HB       LEU  12 -29.966  10.220   3.738
   87    HG   LEU  12           HG       LEU  12 -28.765   7.806   3.867
   88   1HD1  LEU  12          1HD1      LEU  12 -26.720   7.669   2.765
   89   2HD1  LEU  12          2HD1      LEU  12 -27.816   8.310   1.518
   90   3HD1  LEU  12          3HD1      LEU  12 -26.700   9.404   2.369
   91   1HD2  LEU  12          1HD2      LEU  12 -26.755   9.662   4.616
   92   2HD2  LEU  12          2HD2      LEU  12 -28.332  10.432   4.918
   93   3HD2  LEU  12          3HD2      LEU  12 -27.959   8.851   5.646
   94    H    ASP  13           H        ASP  13 -31.637   8.899   4.827
   95    HA   ASP  13           HA       ASP  13 -31.101   6.575   5.938
   96   1HB   ASP  13          1HB       ASP  13 -33.332   8.520   6.160
   97   2HB   ASP  13          2HB       ASP  13 -33.744   6.927   6.765
   98    H    ARG  14           H        ARG  14 -33.772   7.281   3.613
   99    HA   ARG  14           HA       ARG  14 -35.216   5.014   3.826
  100   1HB   ARG  14          1HB       ARG  14 -35.758   6.984   2.361
  101   2HB   ARG  14          2HB       ARG  14 -34.501   6.494   1.243
  102   1HG   ARG  14          1HG       ARG  14 -35.798   4.176   1.223
  103   2HG   ARG  14          2HG       ARG  14 -37.136   5.123   1.842
  104   1HD   ARG  14          1HD       ARG  14 -36.990   6.655  -0.112
  105   2HD   ARG  14          2HD       ARG  14 -35.597   5.781  -0.717
  106    HE   ARG  14           HE       ARG  14 -37.938   4.072  -0.267
  107   1HH1  ARG  14          1HH1      ARG  14 -38.543   3.703  -3.684
  108   2HH1  ARG  14          2HH1      ARG  14 -38.923   3.122  -2.097
  109   1HH2  ARG  14          1HH2      ARG  14 -37.033   5.446  -3.951
  110   2HH2  ARG  14          2HH2      ARG  14 -36.287   6.165  -2.563
  111    H    TYR  15           H        TYR  15 -32.796   5.552   1.153
  112    HA   TYR  15           HA       TYR  15 -32.613   2.825   0.523
  113   1HB   TYR  15          1HB       TYR  15 -30.608   5.138   0.166
  114   2HB   TYR  15          2HB       TYR  15 -30.682   3.702  -0.836
  115    HD1  TYR  15           1HD      TYR  15 -32.701   3.344  -2.331
  116    HD2  TYR  15           2HD      TYR  15 -31.970   7.036  -0.297
  117    HE1  TYR  15           1HE      TYR  15 -34.287   4.541  -3.918
  118    HE2  TYR  15           2HE      TYR  15 -33.558   8.220  -1.890
  119    HH   TYR  15           HH       TYR  15 -35.040   6.469  -4.590
  120    H    TRP  16           H        TRP  16 -30.705   4.980   2.681
  121    HA   TRP  16           HA       TRP  16 -28.479   3.520   3.115
  122   1HB   TRP  16          1HB       TRP  16 -28.359   5.378   4.348
  123   2HB   TRP  16          2HB       TRP  16 -30.084   5.426   4.656
  124    HD1  TRP  16           HD       TRP  16 -30.939   4.297   6.956
  125    HE1  TRP  16           1HE      TRP  16 -29.788   3.422   9.163
  126    HE3  TRP  16           3HE      TRP  16 -26.215   4.200   5.078
  127    HZ2  TRP  16           2HZ      TRP  16 -27.091   2.802   9.861
  128    HZ3  TRP  16           3HZ      TRP  16 -24.380   3.447   6.589
  129    HH2  TRP  16           HH       TRP  16 -24.758   2.764   8.905
  130    H    SER  17           H        SER  17 -31.701   3.100   4.750
  131    HA   SER  17           HA       SER  17 -31.191   1.131   6.432
  132   1HB   SER  17          1HB       SER  17 -33.500   2.065   4.966
  133   2HB   SER  17          2HB       SER  17 -33.570   0.316   5.044
  134    HG   SER  17           HG       SER  17 -34.554   1.013   6.924
  135    H    ILE  18           H        ILE  18 -31.823   0.694   2.883
  136    HA   ILE  18           HA       ILE  18 -31.660  -2.050   2.800
  137    HB   ILE  18           HB       ILE  18 -30.842   0.014   0.755
  138   1HG1  ILE  18          1HG1      ILE  18 -33.164   0.223   1.514
  139   2HG1  ILE  18          2HG1      ILE  18 -33.070  -0.297  -0.157
  140   1HG2  ILE  18          1HG2      ILE  18 -30.125  -1.628  -0.547
  141   2HG2  ILE  18          2HG2      ILE  18 -30.489  -2.826   0.719
  142   3HG2  ILE  18          3HG2      ILE  18 -31.736  -2.382  -0.470
  143   1HD1  ILE  18          1HD1      ILE  18 -33.142  -2.741   0.961
  144   2HD1  ILE  18          2HD1      ILE  18 -33.945  -1.841   2.270
  145   3HD1  ILE  18          3HD1      ILE  18 -34.631  -1.825   0.628
  146    H    THR  19           H        THR  19 -28.986   0.358   2.283
  147    HA   THR  19           HA       THR  19 -26.919  -1.372   1.912
  148    HB   THR  19           HB       THR  19 -27.034   1.262   3.473
  149    HG1  THR  19           1HG      THR  19 -26.564   0.353   0.725
  150   1HG2  THR  19          1HG2      THR  19 -24.776   1.033   3.745
  151   2HG2  THR  19          2HG2      THR  19 -24.799  -0.534   2.902
  152   3HG2  THR  19          3HG2      THR  19 -24.626   0.974   1.973
  153    H    GLN  20           H        GLN  20 -28.325  -0.347   5.077
  154    HA   GLN  20           HA       GLN  20 -26.571  -1.429   6.760
  155   1HB   GLN  20          1HB       GLN  20 -29.069  -0.391   7.012
  156   2HB   GLN  20          2HB       GLN  20 -29.439  -2.070   7.346
  157   1HG   GLN  20          1HG       GLN  20 -27.979  -2.152   9.232
  158   2HG   GLN  20          2HG       GLN  20 -27.093  -0.727   8.727
  159   1HE2  GLN  20          1HE2      GLN  20 -27.733  -0.537  11.168
  160   2HE2  GLN  20          2HE2      GLN  20 -29.123   0.443  11.497
  161    H    ALA  21           H        ALA  21 -29.186  -3.215   5.003
  162    HA   ALA  21           HA       ALA  21 -28.051  -5.721   5.989
  163   1HB   ALA  21          1HB       ALA  21 -30.520  -5.522   4.280
  164   2HB   ALA  21          2HB       ALA  21 -30.137  -6.659   5.595
  165   3HB   ALA  21          3HB       ALA  21 -30.597  -4.981   5.974
  166    H    ILE  22           H        ILE  22 -26.190  -4.649   4.421
  167    HA   ILE  22           HA       ILE  22 -26.365  -6.296   2.045
  168    HB   ILE  22           HB       ILE  22 -26.083  -3.301   1.985
  169   1HG1  ILE  22          1HG1      ILE  22 -28.353  -4.271   1.809
  170   2HG1  ILE  22          2HG1      ILE  22 -27.865  -3.394   0.373
  171   1HG2  ILE  22          1HG2      ILE  22 -24.967  -5.346   0.105
  172   2HG2  ILE  22          2HG2      ILE  22 -25.633  -3.832  -0.554
  173   3HG2  ILE  22          3HG2      ILE  22 -24.300  -3.780   0.625
  174   1HD1  ILE  22          1HD1      ILE  22 -28.321  -5.240  -0.852
  175   2HD1  ILE  22          2HD1      ILE  22 -26.980  -6.072  -0.029
  176   3HD1  ILE  22          3HD1      ILE  22 -28.631  -6.182   0.626
  177    H    GLU  23           H        GLU  23 -24.321  -3.664   3.509
  178    HA   GLU  23           HA       GLU  23 -21.982  -5.123   2.867
  179   1HB   GLU  23          1HB       GLU  23 -22.615  -2.523   4.250
  180   2HB   GLU  23          2HB       GLU  23 -21.026  -3.217   4.498
  181   1HG   GLU  23          1HG       GLU  23 -21.106  -3.494   1.824
  182   2HG   GLU  23          2HG       GLU  23 -22.276  -2.196   1.948
  183    H    TYR  24           H        TYR  24 -23.035  -7.096   4.108
  184    HA   TYR  24           HA       TYR  24 -21.544  -7.402   6.503
  185   1HB   TYR  24          1HB       TYR  24 -24.284  -6.368   6.549
  186   2HB   TYR  24          2HB       TYR  24 -24.310  -7.989   7.213
  187    HD1  TYR  24           1HD      TYR  24 -22.224  -8.416   8.939
  188    HD2  TYR  24           2HD      TYR  24 -24.050  -4.645   8.075
  189    HE1  TYR  24           1HE      TYR  24 -21.419  -7.507  11.172
  190    HE2  TYR  24           2HE      TYR  24 -23.239  -3.748  10.312
  191    HH   TYR  24           HH       TYR  24 -22.491  -5.395  12.747
  192    H    ASN  25           H        ASN  25 -24.295  -8.510   4.445
  193    HA   ASN  25           HA       ASN  25 -23.502 -11.232   5.067
  194   1HB   ASN  25          1HB       ASN  25 -26.000 -10.113   3.689
  195   2HB   ASN  25          2HB       ASN  25 -25.705 -11.823   3.935
  196   1HD2  ASN  25          1HD2      ASN  25 -25.015 -12.363   6.271
  197   2HD2  ASN  25          2HD2      ASN  25 -25.993 -11.692   7.533
  198    H    LEU  26           H        LEU  26 -21.620 -10.044   3.483
  199    HA   LEU  26           HA       LEU  26 -22.189 -11.172   0.848
  200   1HB   LEU  26          1HB       LEU  26 -21.945  -8.387   1.444
  201   2HB   LEU  26          2HB       LEU  26 -20.549  -8.877   0.505
  202    HG   LEU  26           HG       LEU  26 -23.442  -9.305  -0.295
  203   1HD1  LEU  26          1HD1      LEU  26 -23.163  -7.030  -0.554
  204   2HD1  LEU  26          2HD1      LEU  26 -21.433  -7.174  -0.949
  205   3HD1  LEU  26          3HD1      LEU  26 -22.661  -7.642  -2.149
  206   1HD2  LEU  26          1HD2      LEU  26 -20.836 -10.050  -1.614
  207   2HD2  LEU  26          2HD2      LEU  26 -22.270 -11.058  -1.302
  208   3HD2  LEU  26          3HD2      LEU  26 -22.325  -9.795  -2.556
  209    H    LYS  27           H        LYS  27 -19.550  -9.482   2.699
  210    HA   LYS  27           HA       LYS  27 -17.845 -11.770   1.995
  211   1HB   LYS  27          1HB       LYS  27 -17.240  -8.822   2.228
  212   2HB   LYS  27          2HB       LYS  27 -15.975 -10.026   2.360
  213   1HG   LYS  27          1HG       LYS  27 -16.852 -10.998   0.129
  214   2HG   LYS  27          2HG       LYS  27 -17.832  -9.552  -0.011
  215   1HD   LYS  27          1HD       LYS  27 -16.049  -8.274  -0.634
  216   2HD   LYS  27          2HD       LYS  27 -15.049  -8.889   0.668
  217   1HE   LYS  27          1HE       LYS  27 -15.069 -11.105  -0.906
  218   2HE   LYS  27          2HE       LYS  27 -15.337  -9.900  -2.150
  219   1HZ   LYS  27          1HZ       LYS  27 -12.954 -10.540  -1.208
  220   2HZ   LYS  27          2HZ       LYS  27 -13.290  -9.094  -1.888
  221   3HZ   LYS  27          3HZ       LYS  27 -13.278  -9.249  -0.263
  222    H    ARG  28           H        ARG  28 -19.077 -12.683   3.964
  223    HA   ARG  28           HA       ARG  28 -17.778 -11.687   6.370
  224   1HB   ARG  28          1HB       ARG  28 -19.663 -12.802   7.612
  225   2HB   ARG  28          2HB       ARG  28 -20.227 -11.556   6.516
  226   1HG   ARG  28          1HG       ARG  28 -20.824 -13.250   4.822
  227   2HG   ARG  28          2HG       ARG  28 -20.137 -14.526   5.807
  228   1HD   ARG  28          1HD       ARG  28 -21.816 -13.829   7.648
  229   2HD   ARG  28          2HD       ARG  28 -22.594 -12.831   6.436
  230    HE   ARG  28           HE       ARG  28 -22.425 -15.277   5.172
  231   1HH1  ARG  28          1HH1      ARG  28 -25.039 -17.057   6.647
  232   2HH1  ARG  28          2HH1      ARG  28 -23.992 -16.938   5.273
  233   1HH2  ARG  28          1HH2      ARG  28 -24.851 -15.530   8.386
  234   2HH2  ARG  28          2HH2      ARG  28 -23.664 -14.272   8.308
  235    H    THR  29           H        THR  29 -17.160 -13.408   8.007
  236    HA   THR  29           HA       THR  29 -16.987 -16.117   7.029
  237    HB   THR  29           HB       THR  29 -15.047 -14.988   5.915
  238    HG1  THR  29           1HG      THR  29 -14.245 -16.975   6.471
  239   1HG2  THR  29          1HG2      THR  29 -13.564 -13.635   7.035
  240   2HG2  THR  29          2HG2      THR  29 -14.834 -13.496   8.274
  241   3HG2  THR  29          3HG2      THR  29 -13.544 -14.709   8.455
  242    HA   PRO  30           HA       PRO  30 -17.381 -15.572  11.504
  243   1HB   PRO  30          1HB       PRO  30 -19.833 -16.734  11.832
  244   2HB   PRO  30          2HB       PRO  30 -19.605 -15.003  11.679
  245   1HG   PRO  30          1HG       PRO  30 -20.642 -16.920   9.681
  246   2HG   PRO  30          2HG       PRO  30 -20.800 -15.175   9.713
  247   1HD   PRO  30          1HD       PRO  30 -19.022 -16.707   8.065
  248   2HD   PRO  30          2HD       PRO  30 -19.099 -14.960   8.181
  249    H    ARG  31           H        ARG  31 -18.029 -17.376  13.232
  250    HA   ARG  31           HA       ARG  31 -16.758 -19.742  12.110
  251   1HB   ARG  31          1HB       ARG  31 -16.317 -18.208  14.585
  252   2HB   ARG  31          2HB       ARG  31 -16.601 -19.901  14.935
  253   1HG   ARG  31          1HG       ARG  31 -14.840 -20.505  13.216
  254   2HG   ARG  31          2HG       ARG  31 -14.511 -18.797  13.000
  255   1HD   ARG  31          1HD       ARG  31 -14.282 -20.269  15.670
  256   2HD   ARG  31          2HD       ARG  31 -12.928 -19.924  14.614
  257    HE   ARG  31           HE       ARG  31 -14.029 -17.432  14.933
  258   1HH1  ARG  31          1HH1      ARG  31 -13.033 -16.532  18.154
  259   2HH1  ARG  31          2HH1      ARG  31 -13.568 -15.952  16.612
  260   1HH2  ARG  31          1HH2      ARG  31 -12.785 -18.811  18.515
  261   2HH2  ARG  31          2HH2      ARG  31 -13.135 -19.933  17.242
  262    H    ARG  32           H        ARG  32 -17.758 -21.776  12.441
  263    HA   ARG  32           HA       ARG  32 -20.252 -21.650  13.938
  264   1HB   ARG  32          1HB       ARG  32 -19.961 -22.115  11.173
  265   2HB   ARG  32          2HB       ARG  32 -20.165 -23.724  11.834
  266   1HG   ARG  32          1HG       ARG  32 -22.141 -22.511  13.216
  267   2HG   ARG  32          2HG       ARG  32 -22.083 -21.399  11.862
  268   1HD   ARG  32          1HD       ARG  32 -21.977 -23.983  10.686
  269   2HD   ARG  32          2HD       ARG  32 -23.162 -24.122  11.969
  270    HE   ARG  32           HE       ARG  32 -23.914 -21.769  10.785
  271   1HH1  ARG  32          1HH1      ARG  32 -25.469 -22.810   7.840
  272   2HH1  ARG  32          2HH1      ARG  32 -25.321 -21.533   9.000
  273   1HH2  ARG  32          1HH2      ARG  32 -24.239 -24.761   8.098
  274   2HH2  ARG  32          2HH2      ARG  32 -23.173 -24.940   9.452
  Start of MODEL   13
    1    H    THR   1           H        THR   1 -26.589  26.697   7.842
    2    HA   THR   1           HA       THR   1 -27.817  25.534   5.559
    3    HB   THR   1           HB       THR   1 -25.073  25.248   6.890
    4    HG1  THR   1           1HG      THR   1 -24.653  26.941   5.433
    5   1HG2  THR   1          1HG2      THR   1 -25.338  23.324   5.401
    6   2HG2  THR   1          2HG2      THR   1 -26.121  24.335   4.162
    7   3HG2  THR   1          3HG2      THR   1 -24.391  24.550   4.524
    8    H    SER   2           H        SER   2 -28.593  24.779   8.541
    9    HA   SER   2           HA       SER   2 -28.064  21.969   8.443
   10   1HB   SER   2          1HB       SER   2 -29.212  23.909  10.399
   11   2HB   SER   2          2HB       SER   2 -29.864  22.285  10.490
   12    HG   SER   2           HG       SER   2 -27.085  23.069  10.698
   13    H    SER   3           H        SER   3 -30.378  24.172   7.165
   14    HA   SER   3           HA       SER   3 -32.650  22.530   7.369
   15   1HB   SER   3          1HB       SER   3 -32.969  24.892   7.038
   16   2HB   SER   3          2HB       SER   3 -31.927  24.916   5.630
   17    HG   SER   3           HG       SER   3 -34.064  24.944   4.882
   18    H    ILE   4           H        ILE   4 -29.881  22.764   5.172
   19    HA   ILE   4           HA       ILE   4 -31.143  21.284   3.069
   20    HB   ILE   4           HB       ILE   4 -28.261  22.050   3.549
   21   1HG1  ILE   4          1HG1      ILE   4 -29.539  24.043   3.348
   22   2HG1  ILE   4          2HG1      ILE   4 -28.751  23.782   1.804
   23   1HG2  ILE   4          1HG2      ILE   4 -29.102  20.075   1.882
   24   2HG2  ILE   4          2HG2      ILE   4 -29.200  21.491   0.808
   25   3HG2  ILE   4          3HG2      ILE   4 -27.663  21.087   1.610
   26   1HD1  ILE   4          1HD1      ILE   4 -31.658  23.186   2.503
   27   2HD1  ILE   4          2HD1      ILE   4 -31.048  24.393   1.345
   28   3HD1  ILE   4          3HD1      ILE   4 -30.888  22.656   0.988
   29    H    VAL   5           H        VAL   5 -28.446  20.606   5.414
   30    HA   VAL   5           HA       VAL   5 -27.955  18.033   4.850
   31    HB   VAL   5           HB       VAL   5 -28.165  19.459   7.497
   32   1HG1  VAL   5          1HG1      VAL   5 -27.970  17.531   8.598
   33   2HG1  VAL   5          2HG1      VAL   5 -27.960  16.620   7.069
   34   3HG1  VAL   5          3HG1      VAL   5 -26.433  17.228   7.752
   35   1HG2  VAL   5          1HG2      VAL   5 -25.670  19.385   7.331
   36   2HG2  VAL   5          2HG2      VAL   5 -25.841  18.692   5.701
   37   3HG2  VAL   5          3HG2      VAL   5 -26.451  20.330   6.041
   38    H    HIS   6           H        HIS   6 -30.525  19.124   7.184
   39    HA   HIS   6           HA       HIS   6 -31.594  16.758   7.825
   40   1HB   HIS   6          1HB       HIS   6 -32.615  18.479   8.906
   41   2HB   HIS   6          2HB       HIS   6 -32.666  19.504   7.486
   42    HD1  HIS   6           1HD      HIS   6 -34.781  19.431   6.017
   43    HD2  HIS   6           2HD      HIS   6 -34.801  16.626   9.137
   44    HE1  HIS   6           1HE      HIS   6 -37.152  18.495   6.122
   45    HE2  HIS   6           2HE      HIS   6 -37.089  16.738   8.021
   46    H    LEU   7           H        LEU   7 -32.792  18.738   5.013
   47    HA   LEU   7           HA       LEU   7 -34.477  16.884   3.956
   48   1HB   LEU   7          1HB       LEU   7 -34.504  19.056   3.102
   49   2HB   LEU   7          2HB       LEU   7 -32.790  19.046   2.736
   50    HG   LEU   7           HG       LEU   7 -33.585  17.054   1.098
   51   1HD1  LEU   7          1HD1      LEU   7 -35.947  17.262   1.778
   52   2HD1  LEU   7          2HD1      LEU   7 -35.960  18.936   1.175
   53   3HD1  LEU   7          3HD1      LEU   7 -35.703  17.585   0.045
   54   1HD2  LEU   7          1HD2      LEU   7 -34.093  19.487  -0.314
   55   2HD2  LEU   7          2HD2      LEU   7 -32.782  19.768   0.857
   56   3HD2  LEU   7          3HD2      LEU   7 -32.643  18.455  -0.336
   57    H    CYS   8           H        CYS   8 -31.046  17.388   2.850
   58    HA   CYS   8           HA       CYS   8 -30.881  15.238   1.217
   59   1HB   CYS   8          1HB       CYS   8 -28.962  16.904   2.704
   60   2HB   CYS   8          2HB       CYS   8 -28.361  15.296   2.348
   61    HG   CYS   8           HG       CYS   8 -27.493  16.622   0.400
   62    H    ALA   9           H        ALA   9 -31.054  15.383   4.745
   63    HA   ALA   9           HA       ALA   9 -30.133  12.668   5.081
   64   1HB   ALA   9          1HB       ALA   9 -31.294  13.520   7.463
   65   2HB   ALA   9          2HB       ALA   9 -29.575  13.671   7.025
   66   3HB   ALA   9          3HB       ALA   9 -30.690  15.029   6.737
   67    H    ILE  10           H        ILE  10 -32.099  12.490   3.238
   68    HA   ILE  10           HA       ILE  10 -34.229  11.242   4.784
   69    HB   ILE  10           HB       ILE  10 -34.661  13.287   2.606
   70   1HG1  ILE  10          1HG1      ILE  10 -34.216  14.094   4.959
   71   2HG1  ILE  10          2HG1      ILE  10 -35.726  14.618   4.239
   72   1HG2  ILE  10          1HG2      ILE  10 -37.149  12.584   3.554
   73   2HG2  ILE  10          2HG2      ILE  10 -36.426  12.054   2.016
   74   3HG2  ILE  10          3HG2      ILE  10 -36.306  11.019   3.459
   75   1HD1  ILE  10          1HD1      ILE  10 -35.858  13.761   6.660
   76   2HD1  ILE  10          2HD1      ILE  10 -37.015  13.042   5.514
   77   3HD1  ILE  10          3HD1      ILE  10 -35.560  12.136   5.996
   78    H    SER  11           H        SER  11 -32.875  11.911   1.484
   79    HA   SER  11           HA       SER  11 -33.901   9.489   0.479
   80   1HB   SER  11          1HB       SER  11 -33.225  11.688  -0.773
   81   2HB   SER  11          2HB       SER  11 -31.597  11.041  -0.744
   82    HG   SER  11           HG       SER  11 -32.206   9.313  -2.033
   83    H    LEU  12           H        LEU  12 -30.701  10.638   1.693
   84    HA   LEU  12           HA       LEU  12 -29.255   8.347   1.021
   85   1HB   LEU  12          1HB       LEU  12 -28.096  10.331   1.510
   86   2HB   LEU  12          2HB       LEU  12 -28.899  10.533   3.054
   87    HG   LEU  12           HG       LEU  12 -27.709   8.427   3.831
   88   1HD1  LEU  12          1HD1      LEU  12 -25.546   7.986   2.538
   89   2HD1  LEU  12          2HD1      LEU  12 -27.059   7.345   1.855
   90   3HD1  LEU  12          3HD1      LEU  12 -26.331   8.820   1.176
   91   1HD2  LEU  12          1HD2      LEU  12 -25.382   9.937   3.563
   92   2HD2  LEU  12          2HD2      LEU  12 -26.702  11.129   3.485
   93   3HD2  LEU  12          3HD2      LEU  12 -26.577  10.028   4.879
   94    H    ASP  13           H        ASP  13 -30.676   9.319   4.227
   95    HA   ASP  13           HA       ASP  13 -30.096   7.173   5.656
   96   1HB   ASP  13          1HB       ASP  13 -31.729   9.280   6.033
   97   2HB   ASP  13          2HB       ASP  13 -32.973   8.085   5.724
   98    H    ARG  14           H        ARG  14 -32.833   7.524   3.299
   99    HA   ARG  14           HA       ARG  14 -34.170   5.253   3.716
  100   1HB   ARG  14          1HB       ARG  14 -33.978   7.185   1.646
  101   2HB   ARG  14          2HB       ARG  14 -33.757   5.650   0.830
  102   1HG   ARG  14          1HG       ARG  14 -35.854   4.943   2.378
  103   2HG   ARG  14          2HG       ARG  14 -36.153   6.670   2.346
  104   1HD   ARG  14          1HD       ARG  14 -35.882   6.503  -0.240
  105   2HD   ARG  14          2HD       ARG  14 -35.995   4.767  -0.028
  106    HE   ARG  14           HE       ARG  14 -38.186   5.667   1.376
  107   1HH1  ARG  14          1HH1      ARG  14 -40.455   6.422  -1.165
  108   2HH1  ARG  14          2HH1      ARG  14 -40.270   6.032   0.512
  109   1HH2  ARG  14          1HH2      ARG  14 -38.588   6.572  -2.535
  110   2HH2  ARG  14          2HH2      ARG  14 -37.008   6.295  -1.880
  111    H    TYR  15           H        TYR  15 -31.235   5.668   1.613
  112    HA   TYR  15           HA       TYR  15 -31.111   2.875   1.011
  113   1HB   TYR  15          1HB       TYR  15 -29.112   5.213   0.801
  114   2HB   TYR  15          2HB       TYR  15 -28.937   3.687  -0.042
  115    HD1  TYR  15           1HD      TYR  15 -31.456   3.109  -1.255
  116    HD2  TYR  15           2HD      TYR  15 -29.615   6.927  -0.671
  117    HE1  TYR  15           1HE      TYR  15 -32.768   4.050  -3.219
  118    HE2  TYR  15           2HE      TYR  15 -30.932   7.855  -2.637
  119    HH   TYR  15           HH       TYR  15 -32.969   5.738  -4.602
  120    H    TRP  16           H        TRP  16 -29.665   5.104   3.400
  121    HA   TRP  16           HA       TRP  16 -27.477   3.727   4.216
  122   1HB   TRP  16          1HB       TRP  16 -28.038   5.871   5.114
  123   2HB   TRP  16          2HB       TRP  16 -29.512   5.258   5.836
  124    HD1  TRP  16           HD       TRP  16 -29.181   5.062   8.411
  125    HE1  TRP  16           1HE      TRP  16 -27.297   4.375  10.127
  126    HE3  TRP  16           3HE      TRP  16 -25.608   4.125   4.916
  127    HZ2  TRP  16           2HZ      TRP  16 -24.585   3.535   9.836
  128    HZ3  TRP  16           3HZ      TRP  16 -23.369   3.375   5.716
  129    HH2  TRP  16           HH       TRP  16 -22.831   3.077   8.082
  130    H    SER  17           H        SER  17 -30.831   3.356   5.596
  131    HA   SER  17           HA       SER  17 -30.317   1.232   7.180
  132   1HB   SER  17          1HB       SER  17 -32.554   2.658   6.454
  133   2HB   SER  17          2HB       SER  17 -32.915   1.106   5.723
  134    HG   SER  17           HG       SER  17 -32.369   0.157   7.898
  135    H    ILE  18           H        ILE  18 -31.648   1.091   3.788
  136    HA   ILE  18           HA       ILE  18 -31.701  -1.598   3.459
  137    HB   ILE  18           HB       ILE  18 -30.938   0.536   1.463
  138   1HG1  ILE  18          1HG1      ILE  18 -33.056   1.074   2.370
  139   2HG1  ILE  18          2HG1      ILE  18 -33.364   0.313   0.822
  140   1HG2  ILE  18          1HG2      ILE  18 -30.571  -2.122   1.062
  141   2HG2  ILE  18          2HG2      ILE  18 -32.259  -1.936   0.529
  142   3HG2  ILE  18          3HG2      ILE  18 -30.976  -0.956  -0.220
  143   1HD1  ILE  18          1HD1      ILE  18 -33.614  -0.960   3.580
  144   2HD1  ILE  18          2HD1      ILE  18 -34.914  -0.652   2.405
  145   3HD1  ILE  18          3HD1      ILE  18 -33.686  -1.895   2.067
  146    H    THR  19           H        THR  19 -28.886   0.529   2.566
  147    HA   THR  19           HA       THR  19 -27.100  -1.362   1.846
  148    HB   THR  19           HB       THR  19 -26.736   1.184   3.507
  149    HG1  THR  19           1HG      THR  19 -27.624   1.490   1.389
  150   1HG2  THR  19          1HG2      THR  19 -24.423   1.205   2.603
  151   2HG2  THR  19          2HG2      THR  19 -24.664  -0.246   3.607
  152   3HG2  THR  19          3HG2      THR  19 -24.698  -0.376   1.832
  153    H    GLN  20           H        GLN  20 -27.618  -0.272   5.269
  154    HA   GLN  20           HA       GLN  20 -25.822  -1.888   6.444
  155   1HB   GLN  20          1HB       GLN  20 -28.591  -1.038   7.376
  156   2HB   GLN  20          2HB       GLN  20 -27.476  -1.890   8.426
  157   1HG   GLN  20          1HG       GLN  20 -25.762  -0.091   8.038
  158   2HG   GLN  20          2HG       GLN  20 -26.908   0.768   7.029
  159   1HE2  GLN  20          1HE2      GLN  20 -25.544   1.126   9.774
  160   2HE2  GLN  20          2HE2      GLN  20 -26.812   1.672  10.820
  161    H    ALA  21           H        ALA  21 -29.094  -2.743   5.234
  162    HA   ALA  21           HA       ALA  21 -28.798  -5.454   6.223
  163   1HB   ALA  21          1HB       ALA  21 -30.974  -4.466   6.470
  164   2HB   ALA  21          2HB       ALA  21 -30.996  -3.939   4.770
  165   3HB   ALA  21          3HB       ALA  21 -31.099  -5.671   5.165
  166    H    ILE  22           H        ILE  22 -26.683  -4.976   4.580
  167    HA   ILE  22           HA       ILE  22 -27.248  -6.778   2.420
  168    HB   ILE  22           HB       ILE  22 -26.451  -3.921   1.874
  169   1HG1  ILE  22          1HG1      ILE  22 -28.844  -5.611   1.136
  170   2HG1  ILE  22          2HG1      ILE  22 -28.814  -4.101   2.025
  171   1HG2  ILE  22          1HG2      ILE  22 -25.875  -4.466  -0.320
  172   2HG2  ILE  22          2HG2      ILE  22 -25.100  -5.740   0.653
  173   3HG2  ILE  22          3HG2      ILE  22 -26.614  -6.081  -0.219
  174   1HD1  ILE  22          1HD1      ILE  22 -27.905  -4.368  -0.876
  175   2HD1  ILE  22          2HD1      ILE  22 -29.536  -3.852  -0.384
  176   3HD1  ILE  22          3HD1      ILE  22 -28.122  -2.858   0.041
  177    H    GLU  23           H        GLU  23 -24.859  -4.370   3.719
  178    HA   GLU  23           HA       GLU  23 -22.602  -5.580   2.895
  179   1HB   GLU  23          1HB       GLU  23 -23.365  -3.761   5.094
  180   2HB   GLU  23          2HB       GLU  23 -21.925  -4.693   5.454
  181   1HG   GLU  23          1HG       GLU  23 -20.911  -2.964   4.303
  182   2HG   GLU  23          2HG       GLU  23 -21.279  -3.989   2.930
  183    H    TYR  24           H        TYR  24 -24.882  -6.680   5.346
  184    HA   TYR  24           HA       TYR  24 -23.177  -8.357   6.804
  185   1HB   TYR  24          1HB       TYR  24 -26.107  -7.948   6.180
  186   2HB   TYR  24          2HB       TYR  24 -25.703  -9.531   6.815
  187    HD1  TYR  24           1HD      TYR  24 -26.611  -6.236   7.674
  188    HD2  TYR  24           2HD      TYR  24 -24.196  -9.505   9.011
  189    HE1  TYR  24           1HE      TYR  24 -26.642  -5.301  10.038
  190    HE2  TYR  24           2HE      TYR  24 -24.235  -8.559  11.370
  191    HH   TYR  24           HH       TYR  24 -25.177  -5.434  12.043
  192    H    ASN  25           H        ASN  25 -25.327  -8.997   3.951
  193    HA   ASN  25           HA       ASN  25 -24.093 -11.610   3.769
  194   1HB   ASN  25          1HB       ASN  25 -25.909 -11.989   2.009
  195   2HB   ASN  25          2HB       ASN  25 -26.521 -11.661   3.618
  196   1HD2  ASN  25          1HD2      ASN  25 -27.369  -9.621   4.127
  197   2HD2  ASN  25          2HD2      ASN  25 -27.960  -8.535   2.914
  198    H    LEU  26           H        LEU  26 -22.112 -10.025   3.114
  199    HA   LEU  26           HA       LEU  26 -22.035 -10.070   0.213
  200   1HB   LEU  26          1HB       LEU  26 -22.816  -7.850   0.621
  201   2HB   LEU  26          2HB       LEU  26 -21.614  -7.586   1.870
  202    HG   LEU  26           HG       LEU  26 -19.986  -8.135  -0.233
  203   1HD1  LEU  26          1HD1      LEU  26 -21.656  -6.335  -1.764
  204   2HD1  LEU  26          2HD1      LEU  26 -20.896  -7.872  -2.241
  205   3HD1  LEU  26          3HD1      LEU  26 -22.492  -7.875  -1.454
  206   1HD2  LEU  26          1HD2      LEU  26 -19.907  -5.572  -0.509
  207   2HD2  LEU  26          2HD2      LEU  26 -21.126  -5.542   0.788
  208   3HD2  LEU  26          3HD2      LEU  26 -19.529  -6.270   1.085
  209    H    LYS  27           H        LYS  27 -20.057  -8.749   2.963
  210    HA   LYS  27           HA       LYS  27 -18.057 -10.784   2.324
  211   1HB   LYS  27          1HB       LYS  27 -17.316  -8.850   1.103
  212   2HB   LYS  27          2HB       LYS  27 -17.577  -7.799   2.480
  213   1HG   LYS  27          1HG       LYS  27 -15.873  -9.948   3.358
  214   2HG   LYS  27          2HG       LYS  27 -15.233  -9.366   1.834
  215   1HD   LYS  27          1HD       LYS  27 -15.449  -6.981   2.796
  216   2HD   LYS  27          2HD       LYS  27 -15.781  -7.727   4.346
  217   1HE   LYS  27          1HE       LYS  27 -13.519  -7.739   4.641
  218   2HE   LYS  27          2HE       LYS  27 -13.507  -9.106   3.545
  219   1HZ   LYS  27          1HZ       LYS  27 -13.307  -6.309   2.668
  220   2HZ   LYS  27          2HZ       LYS  27 -12.026  -7.298   2.883
  221   3HZ   LYS  27          3HZ       LYS  27 -13.134  -7.637   1.732
  222    H    ARG  28           H        ARG  28 -19.366 -11.647   4.252
  223    HA   ARG  28           HA       ARG  28 -18.409 -10.360   6.676
  224   1HB   ARG  28          1HB       ARG  28 -20.248 -11.641   7.824
  225   2HB   ARG  28          2HB       ARG  28 -20.855 -10.551   6.593
  226   1HG   ARG  28          1HG       ARG  28 -21.318 -12.314   5.068
  227   2HG   ARG  28          2HG       ARG  28 -20.219 -13.424   5.862
  228   1HD   ARG  28          1HD       ARG  28 -21.721 -13.668   7.775
  229   2HD   ARG  28          2HD       ARG  28 -22.749 -12.367   7.206
  230    HE   ARG  28           HE       ARG  28 -22.528 -14.431   5.190
  231   1HH1  ARG  28          1HH1      ARG  28 -25.570 -15.948   5.980
  232   2HH1  ARG  28          2HH1      ARG  28 -24.308 -15.809   4.801
  233   1HH2  ARG  28          1HH2      ARG  28 -25.452 -14.734   7.954
  234   2HH2  ARG  28          2HH2      ARG  28 -24.102 -13.689   8.249
  235    H    THR  29           H        THR  29 -18.453 -12.335   8.551
  236    HA   THR  29           HA       THR  29 -16.746 -14.448   7.405
  237    HB   THR  29           HB       THR  29 -15.582 -12.680   8.826
  238    HG1  THR  29           1HG      THR  29 -15.962 -15.437   9.754
  239   1HG2  THR  29          1HG2      THR  29 -17.710 -12.686  10.485
  240   2HG2  THR  29          2HG2      THR  29 -16.814 -14.032  11.231
  241   3HG2  THR  29          3HG2      THR  29 -16.063 -12.422  11.108
  242    HA   PRO  30           HA       PRO  30 -20.239 -16.625   9.070
  243   1HB   PRO  30          1HB       PRO  30 -20.361 -18.543   7.126
  244   2HB   PRO  30          2HB       PRO  30 -21.267 -17.045   7.052
  245   1HG   PRO  30          1HG       PRO  30 -18.843 -17.821   5.549
  246   2HG   PRO  30          2HG       PRO  30 -19.990 -16.543   5.198
  247   1HD   PRO  30          1HD       PRO  30 -17.376 -16.237   6.338
  248   2HD   PRO  30          2HD       PRO  30 -18.567 -14.976   6.095
  249    H    ARG  31           H        ARG  31 -20.545 -18.717  10.074
  250    HA   ARG  31           HA       ARG  31 -17.901 -19.778  10.627
  251   1HB   ARG  31          1HB       ARG  31 -19.781 -18.918  12.406
  252   2HB   ARG  31          2HB       ARG  31 -20.287 -20.591  12.274
  253   1HG   ARG  31          1HG       ARG  31 -17.494 -20.783  12.509
  254   2HG   ARG  31          2HG       ARG  31 -17.896 -19.456  13.581
  255   1HD   ARG  31          1HD       ARG  31 -19.872 -21.205  14.292
  256   2HD   ARG  31          2HD       ARG  31 -18.651 -22.353  13.778
  257    HE   ARG  31           HE       ARG  31 -17.627 -20.250  15.558
  258   1HH1  ARG  31          1HH1      ARG  31 -17.233 -22.474  18.218
  259   2HH1  ARG  31          2HH1      ARG  31 -16.866 -20.893  17.614
  260   1HH2  ARG  31          1HH2      ARG  31 -18.498 -23.940  16.938
  261   2HH2  ARG  31          2HH2      ARG  31 -19.074 -23.453  15.379
  262    H    ARG  32           H        ARG  32 -17.398 -21.898  10.053
  263    HA   ARG  32           HA       ARG  32 -19.635 -23.611   9.377
  264   1HB   ARG  32          1HB       ARG  32 -18.291 -22.405   7.361
  265   2HB   ARG  32          2HB       ARG  32 -17.176 -23.731   7.629
  266   1HG   ARG  32          1HG       ARG  32 -18.803 -25.384   7.094
  267   2HG   ARG  32          2HG       ARG  32 -20.146 -24.292   7.371
  268   1HD   ARG  32          1HD       ARG  32 -19.869 -23.194   5.302
  269   2HD   ARG  32          2HD       ARG  32 -18.169 -23.604   5.189
  270    HE   ARG  32           HE       ARG  32 -19.318 -26.080   5.072
  271   1HH1  ARG  32          1HH1      ARG  32 -20.676 -26.214   1.860
  272   2HH1  ARG  32          2HH1      ARG  32 -20.105 -27.141   3.208
  273   1HH2  ARG  32          1HH2      ARG  32 -20.640 -23.895   1.949
  274   2HH2  ARG  32          2HH2      ARG  32 -20.043 -23.092   3.362
  Start of MODEL   14
    1    H    THR   1           H        THR   1 -33.015  27.755   4.965
    2    HA   THR   1           HA       THR   1 -30.820  27.047   3.129
    3    HB   THR   1           HB       THR   1 -30.999  28.997   5.479
    4    HG1  THR   1           1HG      THR   1 -31.066  30.356   3.727
    5   1HG2  THR   1          1HG2      THR   1 -28.746  27.498   5.013
    6   2HG2  THR   1          2HG2      THR   1 -28.521  28.787   3.806
    7   3HG2  THR   1          3HG2      THR   1 -28.689  29.200   5.529
    8    H    SER   2           H        SER   2 -31.770  26.987   6.633
    9    HA   SER   2           HA       SER   2 -29.985  24.770   6.983
   10   1HB   SER   2          1HB       SER   2 -30.362  25.046   9.323
   11   2HB   SER   2          2HB       SER   2 -30.323  26.671   8.667
   12    HG   SER   2           HG       SER   2 -32.128  26.624   9.983
   13    H    SER   3           H        SER   3 -33.255  25.311   6.062
   14    HA   SER   3           HA       SER   3 -34.167  22.824   7.198
   15   1HB   SER   3          1HB       SER   3 -35.404  25.275   6.144
   16   2HB   SER   3          2HB       SER   3 -36.182  23.836   5.515
   17    HG   SER   3           HG       SER   3 -37.232  23.882   7.390
   18    H    ILE   4           H        ILE   4 -31.998  22.714   5.246
   19    HA   ILE   4           HA       ILE   4 -33.399  21.227   3.146
   20    HB   ILE   4           HB       ILE   4 -31.087  23.132   2.765
   21   1HG1  ILE   4          1HG1      ILE   4 -33.555  23.440   1.178
   22   2HG1  ILE   4          2HG1      ILE   4 -33.760  23.735   2.893
   23   1HG2  ILE   4          1HG2      ILE   4 -32.408  21.821   0.449
   24   2HG2  ILE   4          2HG2      ILE   4 -30.716  22.321   0.683
   25   3HG2  ILE   4          3HG2      ILE   4 -31.311  20.819   1.430
   26   1HD1  ILE   4          1HD1      ILE   4 -33.104  25.792   1.593
   27   2HD1  ILE   4          2HD1      ILE   4 -31.959  25.392   2.895
   28   3HD1  ILE   4          3HD1      ILE   4 -31.555  25.004   1.206
   29    H    VAL   5           H        VAL   5 -30.095  21.930   4.499
   30    HA   VAL   5           HA       VAL   5 -28.811  19.686   3.798
   31    HB   VAL   5           HB       VAL   5 -28.764  21.237   6.384
   32   1HG1  VAL   5          1HG1      VAL   5 -26.283  19.965   6.092
   33   2HG1  VAL   5          2HG1      VAL   5 -27.533  19.621   7.312
   34   3HG1  VAL   5          3HG1      VAL   5 -27.492  18.693   5.794
   35   1HG2  VAL   5          1HG2      VAL   5 -27.905  21.860   3.806
   36   2HG2  VAL   5          2HG2      VAL   5 -27.424  22.674   5.314
   37   3HG2  VAL   5          3HG2      VAL   5 -26.421  21.361   4.652
   38    H    HIS   6           H        HIS   6 -30.732  20.004   6.875
   39    HA   HIS   6           HA       HIS   6 -30.524  17.513   7.809
   40   1HB   HIS   6          1HB       HIS   6 -31.908  19.589   8.592
   41   2HB   HIS   6          2HB       HIS   6 -33.232  18.822   7.738
   42    HD1  HIS   6           1HD      HIS   6 -30.561  17.431  10.135
   43    HD2  HIS   6           2HD      HIS   6 -34.717  17.468   9.570
   44    HE1  HIS   6           1HE      HIS   6 -31.549  16.005  12.006
   45    HE2  HIS   6           2HE      HIS   6 -34.108  16.110  11.638
   46    H    LEU   7           H        LEU   7 -33.172  18.531   5.526
   47    HA   LEU   7           HA       LEU   7 -34.186  16.019   5.085
   48   1HB   LEU   7          1HB       LEU   7 -34.903  18.443   4.352
   49   2HB   LEU   7          2HB       LEU   7 -34.066  18.023   2.871
   50    HG   LEU   7           HG       LEU   7 -36.021  16.020   3.867
   51   1HD1  LEU   7          1HD1      LEU   7 -36.814  18.793   3.004
   52   2HD1  LEU   7          2HD1      LEU   7 -37.868  17.392   2.696
   53   3HD1  LEU   7          3HD1      LEU   7 -37.416  17.816   4.364
   54   1HD2  LEU   7          1HD2      LEU   7 -36.450  15.677   1.548
   55   2HD2  LEU   7          2HD2      LEU   7 -35.627  17.192   1.105
   56   3HD2  LEU   7          3HD2      LEU   7 -34.687  15.824   1.748
   57    H    CYS   8           H        CYS   8 -31.349  17.651   3.617
   58    HA   CYS   8           HA       CYS   8 -30.950  15.730   1.616
   59   1HB   CYS   8          1HB       CYS   8 -29.859  18.179   2.216
   60   2HB   CYS   8          2HB       CYS   8 -28.542  17.102   2.636
   61    HG   CYS   8           HG       CYS   8 -30.313  16.623  -0.093
   62    H    ALA   9           H        ALA   9 -30.267  15.923   5.084
   63    HA   ALA   9           HA       ALA   9 -28.442  13.662   4.950
   64   1HB   ALA   9          1HB       ALA   9 -27.863  15.558   6.391
   65   2HB   ALA   9          2HB       ALA   9 -29.414  15.405   7.251
   66   3HB   ALA   9          3HB       ALA   9 -28.192  14.118   7.383
   67    H    ILE  10           H        ILE  10 -30.801  12.831   3.917
   68    HA   ILE  10           HA       ILE  10 -31.709  11.019   5.974
   69    HB   ILE  10           HB       ILE  10 -33.477  13.089   4.707
   70   1HG1  ILE  10          1HG1      ILE  10 -33.073  12.116   7.550
   71   2HG1  ILE  10          2HG1      ILE  10 -32.532  13.641   6.877
   72   1HG2  ILE  10          1HG2      ILE  10 -34.140  10.277   5.361
   73   2HG2  ILE  10          2HG2      ILE  10 -35.270  11.513   5.963
   74   3HG2  ILE  10          3HG2      ILE  10 -34.906  11.411   4.224
   75   1HD1  ILE  10          1HD1      ILE  10 -34.519  14.349   7.840
   76   2HD1  ILE  10          2HD1      ILE  10 -35.140  13.875   6.240
   77   3HD1  ILE  10          3HD1      ILE  10 -35.308  12.768   7.624
   78    H    SER  11           H        SER  11 -32.097  12.246   2.589
   79    HA   SER  11           HA       SER  11 -33.187  10.129   1.412
   80   1HB   SER  11          1HB       SER  11 -32.605  12.122   0.158
   81   2HB   SER  11          2HB       SER  11 -30.893  11.875   0.435
   82    HG   SER  11           HG       SER  11 -32.623  10.133  -1.107
   83    H    LEU  12           H        LEU  12 -29.718  10.502   2.355
   84    HA   LEU  12           HA       LEU  12 -28.835   8.112   1.198
   85   1HB   LEU  12          1HB       LEU  12 -26.916   8.389   2.753
   86   2HB   LEU  12          2HB       LEU  12 -27.260   9.771   1.731
   87    HG   LEU  12           HG       LEU  12 -28.688  10.382   4.006
   88   1HD1  LEU  12          1HD1      LEU  12 -26.087   9.561   5.186
   89   2HD1  LEU  12          2HD1      LEU  12 -27.702   9.686   5.923
   90   3HD1  LEU  12          3HD1      LEU  12 -27.293   8.281   4.910
   91   1HD2  LEU  12          1HD2      LEU  12 -27.382  12.223   4.037
   92   2HD2  LEU  12          2HD2      LEU  12 -25.867  11.290   3.969
   93   3HD2  LEU  12          3HD2      LEU  12 -26.808  11.569   2.483
   94    H    ASP  13           H        ASP  13 -29.814   8.896   4.608
   95    HA   ASP  13           HA       ASP  13 -29.424   6.561   5.782
   96   1HB   ASP  13          1HB       ASP  13 -30.465   8.548   6.857
   97   2HB   ASP  13          2HB       ASP  13 -31.951   8.267   5.973
   98    H    ARG  14           H        ARG  14 -32.125   7.452   3.554
   99    HA   ARG  14           HA       ARG  14 -33.704   5.264   3.909
  100   1HB   ARG  14          1HB       ARG  14 -34.089   7.396   2.474
  101   2HB   ARG  14          2HB       ARG  14 -33.211   6.577   1.197
  102   1HG   ARG  14          1HG       ARG  14 -34.864   4.628   1.448
  103   2HG   ARG  14          2HG       ARG  14 -35.798   5.650   2.523
  104   1HD   ARG  14          1HD       ARG  14 -35.152   7.139   0.104
  105   2HD   ARG  14          2HD       ARG  14 -35.870   5.603  -0.337
  106    HE   ARG  14           HE       ARG  14 -37.298   6.979   1.825
  107   1HH1  ARG  14          1HH1      ARG  14 -39.983   7.809  -0.244
  108   2HH1  ARG  14          2HH1      ARG  14 -39.415   7.720   1.390
  109   1HH2  ARG  14          1HH2      ARG  14 -38.593   7.174  -1.991
  110   2HH2  ARG  14          2HH2      ARG  14 -36.988   6.612  -1.661
  111    H    TYR  15           H        TYR  15 -30.863   5.752   1.723
  112    HA   TYR  15           HA       TYR  15 -31.095   3.105   0.627
  113   1HB   TYR  15          1HB       TYR  15 -28.981   5.349   0.612
  114   2HB   TYR  15          2HB       TYR  15 -28.844   3.909  -0.377
  115    HD1  TYR  15           1HD      TYR  15 -31.153   3.434  -1.791
  116    HD2  TYR  15           2HD      TYR  15 -29.733   7.248  -0.471
  117    HE1  TYR  15           1HE      TYR  15 -32.492   4.575  -3.626
  118    HE2  TYR  15           2HE      TYR  15 -31.077   8.377  -2.311
  119    HH   TYR  15           HH       TYR  15 -32.615   8.106  -3.837
  120    H    TRP  16           H        TRP  16 -29.302   4.756   3.232
  121    HA   TRP  16           HA       TRP  16 -27.184   3.132   3.637
  122   1HB   TRP  16          1HB       TRP  16 -27.335   4.946   5.047
  123   2HB   TRP  16          2HB       TRP  16 -29.001   4.624   5.482
  124    HD1  TRP  16           HD       TRP  16 -29.306   3.511   7.831
  125    HE1  TRP  16           1HE      TRP  16 -27.837   2.241   9.618
  126    HE3  TRP  16           3HE      TRP  16 -25.107   3.266   4.975
  127    HZ2  TRP  16           2HZ      TRP  16 -25.143   1.298   9.636
  128    HZ3  TRP  16           3HZ      TRP  16 -23.101   2.154   5.952
  129    HH2  TRP  16           HH       TRP  16 -23.074   1.190   8.198
  130    H    SER  17           H        SER  17 -30.396   2.667   5.295
  131    HA   SER  17           HA       SER  17 -30.006   0.301   6.394
  132   1HB   SER  17          1HB       SER  17 -32.299   1.802   5.445
  133   2HB   SER  17          2HB       SER  17 -32.587   0.095   5.174
  134    HG   SER  17           HG       SER  17 -32.681  -0.280   7.304
  135    H    ILE  18           H        ILE  18 -31.194   0.753   2.980
  136    HA   ILE  18           HA       ILE  18 -31.362  -1.848   2.226
  137    HB   ILE  18           HB       ILE  18 -30.407   0.532   0.632
  138   1HG1  ILE  18          1HG1      ILE  18 -32.562   0.964   1.591
  139   2HG1  ILE  18          2HG1      ILE  18 -32.774   0.620  -0.115
  140   1HG2  ILE  18          1HG2      ILE  18 -31.796  -1.586  -0.825
  141   2HG2  ILE  18          2HG2      ILE  18 -30.302  -0.704  -1.221
  142   3HG2  ILE  18          3HG2      ILE  18 -30.242  -2.116  -0.139
  143   1HD1  ILE  18          1HD1      ILE  18 -33.281  -1.803   0.527
  144   2HD1  ILE  18          2HD1      ILE  18 -33.304  -1.262   2.222
  145   3HD1  ILE  18          3HD1      ILE  18 -34.486  -0.608   1.063
  146    H    THR  19           H        THR  19 -28.406   0.250   1.946
  147    HA   THR  19           HA       THR  19 -26.700  -1.705   1.010
  148    HB   THR  19           HB       THR  19 -26.343   0.801   2.716
  149    HG1  THR  19           1HG      THR  19 -25.401   1.320   0.488
  150   1HG2  THR  19          1HG2      THR  19 -24.235  -0.061   3.184
  151   2HG2  THR  19          2HG2      THR  19 -24.330  -1.262   1.874
  152   3HG2  THR  19          3HG2      THR  19 -23.918   0.429   1.503
  153    H    GLN  20           H        GLN  20 -27.282  -0.764   4.465
  154    HA   GLN  20           HA       GLN  20 -25.576  -2.582   5.554
  155   1HB   GLN  20          1HB       GLN  20 -26.746  -0.766   6.795
  156   2HB   GLN  20          2HB       GLN  20 -28.258  -1.642   6.663
  157   1HG   GLN  20          1HG       GLN  20 -27.461  -2.230   8.820
  158   2HG   GLN  20          2HG       GLN  20 -27.036  -3.615   7.833
  159   1HE2  GLN  20          1HE2      GLN  20 -25.826  -2.873  10.273
  160   2HE2  GLN  20          2HE2      GLN  20 -24.155  -2.509   9.992
  161    H    ALA  21           H        ALA  21 -29.143  -2.989   4.958
  162    HA   ALA  21           HA       ALA  21 -29.534  -5.485   5.859
  163   1HB   ALA  21          1HB       ALA  21 -31.492  -5.285   4.739
  164   2HB   ALA  21          2HB       ALA  21 -30.892  -3.677   4.269
  165   3HB   ALA  21          3HB       ALA  21 -30.677  -5.062   3.172
  166    H    ILE  22           H        ILE  22 -27.656  -4.500   2.996
  167    HA   ILE  22           HA       ILE  22 -27.413  -7.219   2.078
  168    HB   ILE  22           HB       ILE  22 -26.169  -4.624   1.167
  169   1HG1  ILE  22          1HG1      ILE  22 -28.150  -6.162  -0.451
  170   2HG1  ILE  22          2HG1      ILE  22 -28.756  -5.284   0.940
  171   1HG2  ILE  22          1HG2      ILE  22 -25.207  -5.727  -0.658
  172   2HG2  ILE  22          2HG2      ILE  22 -24.830  -6.769   0.735
  173   3HG2  ILE  22          3HG2      ILE  22 -26.146  -7.213  -0.378
  174   1HD1  ILE  22          1HD1      ILE  22 -28.660  -4.017  -1.321
  175   2HD1  ILE  22          2HD1      ILE  22 -27.998  -3.183   0.105
  176   3HD1  ILE  22          3HD1      ILE  22 -26.899  -3.952  -1.065
  177    H    GLU  23           H        GLU  23 -25.374  -4.711   3.693
  178    HA   GLU  23           HA       GLU  23 -23.044  -6.140   3.721
  179   1HB   GLU  23          1HB       GLU  23 -24.212  -4.048   5.578
  180   2HB   GLU  23          2HB       GLU  23 -22.645  -4.754   5.918
  181   1HG   GLU  23          1HG       GLU  23 -23.362  -3.479   3.237
  182   2HG   GLU  23          2HG       GLU  23 -22.590  -2.602   4.543
  183    H    TYR  24           H        TYR  24 -26.009  -6.585   5.573
  184    HA   TYR  24           HA       TYR  24 -24.996  -7.927   7.790
  185   1HB   TYR  24          1HB       TYR  24 -27.526  -7.660   6.166
  186   2HB   TYR  24          2HB       TYR  24 -27.464  -9.088   7.180
  187    HD1  TYR  24           1HD      TYR  24 -27.958  -5.505   7.090
  188    HD2  TYR  24           2HD      TYR  24 -27.167  -8.816   9.681
  189    HE1  TYR  24           1HE      TYR  24 -28.693  -4.123   9.094
  190    HE2  TYR  24           2HE      TYR  24 -27.905  -7.423  11.675
  191    HH   TYR  24           HH       TYR  24 -28.796  -4.018  11.264
  192    H    ASN  25           H        ASN  25 -25.994  -9.133   4.528
  193    HA   ASN  25           HA       ASN  25 -24.511 -11.549   5.177
  194   1HB   ASN  25          1HB       ASN  25 -27.372 -11.287   4.475
  195   2HB   ASN  25          2HB       ASN  25 -26.531 -12.356   3.370
  196   1HD2  ASN  25          1HD2      ASN  25 -26.793 -11.615   6.840
  197   2HD2  ASN  25          2HD2      ASN  25 -26.732 -13.245   7.422
  198    H    LEU  26           H        LEU  26 -22.795 -10.423   3.886
  199    HA   LEU  26           HA       LEU  26 -23.420 -10.429   1.014
  200   1HB   LEU  26          1HB       LEU  26 -23.106  -8.194   1.493
  201   2HB   LEU  26          2HB       LEU  26 -21.880  -8.504   2.706
  202    HG   LEU  26           HG       LEU  26 -20.982  -9.408   0.098
  203   1HD1  LEU  26          1HD1      LEU  26 -20.898  -7.361  -1.109
  204   2HD1  LEU  26          2HD1      LEU  26 -22.592  -7.612  -0.623
  205   3HD1  LEU  26          3HD1      LEU  26 -21.577  -6.446   0.259
  206   1HD2  LEU  26          1HD2      LEU  26 -19.308  -7.394   0.830
  207   2HD2  LEU  26          2HD2      LEU  26 -20.015  -7.839   2.402
  208   3HD2  LEU  26          3HD2      LEU  26 -19.194  -9.072   1.415
  209    H    LYS  27           H        LYS  27 -20.550 -10.488   3.251
  210    HA   LYS  27           HA       LYS  27 -19.630 -12.818   1.717
  211   1HB   LYS  27          1HB       LYS  27 -18.323 -10.889   1.045
  212   2HB   LYS  27          2HB       LYS  27 -17.997 -10.467   2.714
  213   1HG   LYS  27          1HG       LYS  27 -17.188 -13.156   2.553
  214   2HG   LYS  27          2HG       LYS  27 -16.695 -12.491   1.009
  215   1HD   LYS  27          1HD       LYS  27 -15.400 -10.728   2.089
  216   2HD   LYS  27          2HD       LYS  27 -16.061 -11.126   3.662
  217   1HE   LYS  27          1HE       LYS  27 -14.716 -13.009   3.917
  218   2HE   LYS  27          2HE       LYS  27 -14.681 -13.356   2.200
  219   1HZ   LYS  27          1HZ       LYS  27 -12.974 -11.639   3.735
  220   2HZ   LYS  27          2HZ       LYS  27 -12.650 -12.491   2.380
  221   3HZ   LYS  27          3HZ       LYS  27 -13.402 -11.045   2.276
  222    H    ARG  28           H        ARG  28 -20.819 -14.059   3.374
  223    HA   ARG  28           HA       ARG  28 -19.840 -13.792   6.042
  224   1HB   ARG  28          1HB       ARG  28 -22.166 -14.901   4.763
  225   2HB   ARG  28          2HB       ARG  28 -21.394 -16.215   5.628
  226   1HG   ARG  28          1HG       ARG  28 -21.329 -14.777   7.699
  227   2HG   ARG  28          2HG       ARG  28 -22.168 -13.511   6.824
  228   1HD   ARG  28          1HD       ARG  28 -24.071 -14.505   7.623
  229   2HD   ARG  28          2HD       ARG  28 -23.832 -15.652   6.320
  230    HE   ARG  28           HE       ARG  28 -22.245 -16.545   8.495
  231   1HH1  ARG  28          1HH1      ARG  28 -24.645 -18.538  10.058
  232   2HH1  ARG  28          2HH1      ARG  28 -22.954 -18.195   9.908
  233   1HH2  ARG  28          1HH2      ARG  28 -26.190 -17.323   8.824
  234   2HH2  ARG  28          2HH2      ARG  28 -25.652 -16.073   7.753
  235    H    THR  29           H        THR  29 -19.233 -16.001   7.216
  236    HA   THR  29           HA       THR  29 -17.756 -17.644   7.460
  237    HB   THR  29           HB       THR  29 -18.650 -18.128   4.577
  238    HG1  THR  29           1HG      THR  29 -20.256 -19.044   5.790
  239   1HG2  THR  29          1HG2      THR  29 -17.202 -19.886   4.405
  240   2HG2  THR  29          2HG2      THR  29 -16.386 -19.307   5.877
  241   3HG2  THR  29          3HG2      THR  29 -17.711 -20.489   6.001
  242    HA   PRO  30           HA       PRO  30 -14.482 -15.143   5.588
  243   1HB   PRO  30          1HB       PRO  30 -13.508 -13.994   7.868
  244   2HB   PRO  30          2HB       PRO  30 -14.663 -13.203   6.814
  245   1HG   PRO  30          1HG       PRO  30 -15.118 -14.463   9.449
  246   2HG   PRO  30          2HG       PRO  30 -16.130 -13.319   8.590
  247   1HD   PRO  30          1HD       PRO  30 -16.556 -16.146   8.829
  248   2HD   PRO  30          2HD       PRO  30 -17.502 -15.020   7.875
  249    H    ARG  31           H        ARG  31 -12.015 -15.013   6.338
  250    HA   ARG  31           HA       ARG  31 -11.513 -17.772   7.104
  251   1HB   ARG  31          1HB       ARG  31 -10.458 -16.070   4.999
  252   2HB   ARG  31          2HB       ARG  31  -9.137 -16.527   6.056
  253   1HG   ARG  31          1HG       ARG  31  -9.508 -18.870   5.707
  254   2HG   ARG  31          2HG       ARG  31 -11.114 -18.609   5.058
  255   1HD   ARG  31          1HD       ARG  31  -8.691 -17.431   3.652
  256   2HD   ARG  31          2HD       ARG  31  -9.131 -19.108   3.396
  257    HE   ARG  31           HE       ARG  31 -11.365 -17.221   3.080
  258   1HH1  ARG  31          1HH1      ARG  31 -11.475 -17.700  -0.375
  259   2HH1  ARG  31          2HH1      ARG  31 -12.294 -17.038   1.000
  260   1HH2  ARG  31          1HH2      ARG  31  -9.434 -18.772  -0.106
  261   2HH2  ARG  31          2HH2      ARG  31  -8.731 -18.910   1.471
  262    H    ARG  32           H        ARG  32 -11.545 -17.392   9.412
  263    HA   ARG  32           HA       ARG  32  -9.767 -15.372  10.404
  264   1HB   ARG  32          1HB       ARG  32 -12.004 -17.017  11.471
  265   2HB   ARG  32          2HB       ARG  32 -10.707 -16.776  12.623
  266   1HG   ARG  32          1HG       ARG  32 -10.828 -14.262  12.032
  267   2HG   ARG  32          2HG       ARG  32 -12.313 -14.627  11.176
  268   1HD   ARG  32          1HD       ARG  32 -13.321 -15.538  13.259
  269   2HD   ARG  32          2HD       ARG  32 -11.824 -15.261  14.127
  270    HE   ARG  32           HE       ARG  32 -12.482 -12.771  13.019
  271   1HH1  ARG  32          1HH1      ARG  32 -14.688 -11.602  15.457
  272   2HH1  ARG  32          2HH1      ARG  32 -13.645 -11.160  14.147
  273   1HH2  ARG  32          1HH2      ARG  32 -14.904 -13.831  16.067
  274   2HH2  ARG  32          2HH2      ARG  32 -14.022 -15.052  15.211
  Start of MODEL   15
    1    H    THR   1           H        THR   1 -31.770  28.095   5.083
    2    HA   THR   1           HA       THR   1 -29.407  26.619   4.385
    3    HB   THR   1           HB       THR   1 -30.197  28.469   6.693
    4    HG1  THR   1           1HG      THR   1 -29.917  29.142   4.321
    5   1HG2  THR   1          1HG2      THR   1 -27.646  26.965   6.063
    6   2HG2  THR   1          2HG2      THR   1 -27.520  28.642   6.647
    7   3HG2  THR   1          3HG2      THR   1 -28.323  27.409   7.648
    8    H    SER   2           H        SER   2 -31.644  26.611   7.245
    9    HA   SER   2           HA       SER   2 -30.455  24.139   8.065
   10   1HB   SER   2          1HB       SER   2 -32.611  25.947   9.207
   11   2HB   SER   2          2HB       SER   2 -32.305  24.365   9.895
   12    HG   SER   2           HG       SER   2 -30.249  26.372   9.527
   13    H    SER   3           H        SER   3 -32.993  25.192   5.987
   14    HA   SER   3           HA       SER   3 -34.542  22.794   6.424
   15   1HB   SER   3          1HB       SER   3 -35.296  25.363   5.832
   16   2HB   SER   3          2HB       SER   3 -35.272  24.673   4.222
   17    HG   SER   3           HG       SER   3 -37.359  24.444   5.273
   18    H    ILE   4           H        ILE   4 -31.742  22.783   5.291
   19    HA   ILE   4           HA       ILE   4 -32.413  21.565   2.703
   20    HB   ILE   4           HB       ILE   4 -30.183  23.424   3.450
   21   1HG1  ILE   4          1HG1      ILE   4 -31.584  23.406   0.813
   22   2HG1  ILE   4          2HG1      ILE   4 -32.502  23.928   2.212
   23   1HG2  ILE   4          1HG2      ILE   4 -29.044  22.776   1.332
   24   2HG2  ILE   4          2HG2      ILE   4 -29.008  21.515   2.588
   25   3HG2  ILE   4          3HG2      ILE   4 -30.137  21.375   1.219
   26   1HD1  ILE   4          1HD1      ILE   4 -30.552  25.497   2.778
   27   2HD1  ILE   4          2HD1      ILE   4 -29.885  25.095   1.177
   28   3HD1  ILE   4          3HD1      ILE   4 -31.466  25.903   1.306
   29    H    VAL   5           H        VAL   5 -29.747  21.743   5.174
   30    HA   VAL   5           HA       VAL   5 -28.562  19.372   4.691
   31    HB   VAL   5           HB       VAL   5 -29.148  20.748   7.314
   32   1HG1  VAL   5          1HG1      VAL   5 -28.584  18.264   7.515
   33   2HG1  VAL   5          2HG1      VAL   5 -26.979  18.685   6.870
   34   3HG1  VAL   5          3HG1      VAL   5 -27.537  19.398   8.402
   35   1HG2  VAL   5          1HG2      VAL   5 -26.414  20.735   6.204
   36   2HG2  VAL   5          2HG2      VAL   5 -27.614  21.595   5.209
   37   3HG2  VAL   5          3HG2      VAL   5 -27.365  22.066   6.907
   38    H    HIS   6           H        HIS   6 -31.303  19.845   7.039
   39    HA   HIS   6           HA       HIS   6 -31.701  17.324   7.811
   40   1HB   HIS   6          1HB       HIS   6 -32.991  19.366   8.476
   41   2HB   HIS   6          2HB       HIS   6 -33.924  19.216   6.999
   42    HD1  HIS   6           1HD      HIS   6 -33.253  17.350  10.253
   43    HD2  HIS   6           2HD      HIS   6 -36.025  17.410   7.105
   44    HE1  HIS   6           1HE      HIS   6 -35.168  15.817  10.957
   45    HE2  HIS   6           2HE      HIS   6 -36.865  15.937   9.007
   46    H    LEU   7           H        LEU   7 -32.710  18.756   4.660
   47    HA   LEU   7           HA       LEU   7 -34.145  16.552   3.751
   48   1HB   LEU   7          1HB       LEU   7 -33.958  18.972   2.872
   49   2HB   LEU   7          2HB       LEU   7 -32.566  18.394   1.978
   50    HG   LEU   7           HG       LEU   7 -34.457  16.506   1.332
   51   1HD1  LEU   7          1HD1      LEU   7 -36.487  17.777   0.678
   52   2HD1  LEU   7          2HD1      LEU   7 -36.263  17.651   2.439
   53   3HD1  LEU   7          3HD1      LEU   7 -35.872  19.171   1.599
   54   1HD2  LEU   7          1HD2      LEU   7 -34.284  17.323  -0.829
   55   2HD2  LEU   7          2HD2      LEU   7 -34.202  19.020  -0.296
   56   3HD2  LEU   7          3HD2      LEU   7 -32.803  17.944  -0.061
   57    H    CYS   8           H        CYS   8 -30.799  17.533   2.717
   58    HA   CYS   8           HA       CYS   8 -30.172  15.215   1.449
   59   1HB   CYS   8          1HB       CYS   8 -28.849  17.544   1.997
   60   2HB   CYS   8          2HB       CYS   8 -27.940  16.415   2.981
   61    HG   CYS   8           HG       CYS   8 -26.860  16.820   0.555
   62    H    ALA   9           H        ALA   9 -30.413  15.940   4.913
   63    HA   ALA   9           HA       ALA   9 -28.871  13.819   5.890
   64   1HB   ALA   9          1HB       ALA   9 -29.328  15.085   7.694
   65   2HB   ALA   9          2HB       ALA   9 -30.702  15.865   6.873
   66   3HB   ALA   9          3HB       ALA   9 -30.936  14.322   7.730
   67    H    ILE  10           H        ILE  10 -32.282  14.094   4.804
   68    HA   ILE  10           HA       ILE  10 -32.893  11.429   5.673
   69    HB   ILE  10           HB       ILE  10 -34.375  13.511   4.077
   70   1HG1  ILE  10          1HG1      ILE  10 -35.305  12.449   6.704
   71   2HG1  ILE  10          2HG1      ILE  10 -33.901  13.497   6.718
   72   1HG2  ILE  10          1HG2      ILE  10 -36.275  12.115   3.962
   73   2HG2  ILE  10          2HG2      ILE  10 -34.912  11.128   3.384
   74   3HG2  ILE  10          3HG2      ILE  10 -35.545  10.894   5.031
   75   1HD1  ILE  10          1HD1      ILE  10 -36.301  14.563   6.882
   76   2HD1  ILE  10          2HD1      ILE  10 -35.084  15.336   5.838
   77   3HD1  ILE  10          3HD1      ILE  10 -36.344  14.304   5.121
   78    H    SER  11           H        SER  11 -32.459  13.111   2.484
   79    HA   SER  11           HA       SER  11 -32.866  11.096   0.812
   80   1HB   SER  11          1HB       SER  11 -30.625  13.159   0.745
   81   2HB   SER  11          2HB       SER  11 -31.000  12.122  -0.617
   82    HG   SER  11           HG       SER  11 -32.690  14.116   0.612
   83    H    LEU  12           H        LEU  12 -29.938  11.619   2.846
   84    HA   LEU  12           HA       LEU  12 -28.784   9.157   1.801
   85   1HB   LEU  12          1HB       LEU  12 -27.636  11.185   3.724
   86   2HB   LEU  12          2HB       LEU  12 -26.784   9.835   2.999
   87    HG   LEU  12           HG       LEU  12 -27.963  12.156   1.446
   88   1HD1  LEU  12          1HD1      LEU  12 -26.191  13.006   2.817
   89   2HD1  LEU  12          2HD1      LEU  12 -25.126  11.650   2.376
   90   3HD1  LEU  12          3HD1      LEU  12 -25.585  12.856   1.150
   91   1HD2  LEU  12          1HD2      LEU  12 -27.476  11.075  -0.435
   92   2HD2  LEU  12          2HD2      LEU  12 -25.853  10.635   0.150
   93   3HD2  LEU  12          3HD2      LEU  12 -27.253   9.614   0.558
   94    H    ASP  13           H        ASP  13 -30.977   8.300   2.909
   95    HA   ASP  13           HA       ASP  13 -30.031   7.162   5.378
   96   1HB   ASP  13          1HB       ASP  13 -31.495   9.232   5.870
   97   2HB   ASP  13          2HB       ASP  13 -32.834   8.348   5.166
   98    H    ARG  14           H        ARG  14 -32.740   7.494   2.974
   99    HA   ARG  14           HA       ARG  14 -34.078   5.235   3.372
  100   1HB   ARG  14          1HB       ARG  14 -34.495   7.013   1.591
  101   2HB   ARG  14          2HB       ARG  14 -33.264   6.251   0.604
  102   1HG   ARG  14          1HG       ARG  14 -35.044   4.168   1.465
  103   2HG   ARG  14          2HG       ARG  14 -36.046   5.500   0.923
  104   1HD   ARG  14          1HD       ARG  14 -33.749   4.994  -0.877
  105   2HD   ARG  14          2HD       ARG  14 -34.812   3.609  -0.731
  106    HE   ARG  14           HE       ARG  14 -35.433   6.139  -2.034
  107   1HH1  ARG  14          1HH1      ARG  14 -38.775   5.307  -2.594
  108   2HH1  ARG  14          2HH1      ARG  14 -37.488   6.393  -3.000
  109   1HH2  ARG  14          1HH2      ARG  14 -38.413   3.595  -1.069
  110   2HH2  ARG  14          2HH2      ARG  14 -36.855   3.403  -0.337
  111    H    TYR  15           H        TYR  15 -30.934   5.613   1.653
  112    HA   TYR  15           HA       TYR  15 -30.848   2.832   0.920
  113   1HB   TYR  15          1HB       TYR  15 -28.552   4.854   1.017
  114   2HB   TYR  15          2HB       TYR  15 -28.795   3.578  -0.159
  115    HD1  TYR  15           1HD      TYR  15 -28.718   6.969   0.099
  116    HD2  TYR  15           2HD      TYR  15 -31.335   3.901  -1.330
  117    HE1  TYR  15           1HE      TYR  15 -29.810   8.629  -1.487
  118    HE2  TYR  15           2HE      TYR  15 -32.418   5.572  -2.911
  119    HH   TYR  15           HH       TYR  15 -31.032   8.559  -3.602
  120    H    TRP  16           H        TRP  16 -29.527   4.979   3.467
  121    HA   TRP  16           HA       TRP  16 -27.486   3.520   4.461
  122   1HB   TRP  16          1HB       TRP  16 -28.085   5.656   5.358
  123   2HB   TRP  16          2HB       TRP  16 -29.630   5.057   5.928
  124    HD1  TRP  16           HD       TRP  16 -29.525   4.829   8.521
  125    HE1  TRP  16           1HE      TRP  16 -27.823   4.044  10.378
  126    HE3  TRP  16           3HE      TRP  16 -25.700   3.810   5.329
  127    HZ2  TRP  16           2HZ      TRP  16 -25.129   3.106  10.307
  128    HZ3  TRP  16           3HZ      TRP  16 -23.568   2.963   6.305
  129    HH2  TRP  16           HH       TRP  16 -23.248   2.609   8.702
  130    H    SER  17           H        SER  17 -30.984   3.175   5.424
  131    HA   SER  17           HA       SER  17 -30.715   1.044   7.047
  132   1HB   SER  17          1HB       SER  17 -32.816   2.406   6.451
  133   2HB   SER  17          2HB       SER  17 -33.008   1.348   5.068
  134    HG   SER  17           HG       SER  17 -32.599   0.025   7.529
  135    H    ILE  18           H        ILE  18 -31.630   0.857   3.521
  136    HA   ILE  18           HA       ILE  18 -31.565  -1.830   3.211
  137    HB   ILE  18           HB       ILE  18 -30.713   0.364   1.327
  138   1HG1  ILE  18          1HG1      ILE  18 -33.285  -1.211   1.278
  139   2HG1  ILE  18          2HG1      ILE  18 -33.105   0.192   2.314
  140   1HG2  ILE  18          1HG2      ILE  18 -30.307  -2.439   1.025
  141   2HG2  ILE  18          2HG2      ILE  18 -31.614  -1.947  -0.078
  142   3HG2  ILE  18          3HG2      ILE  18 -30.031  -1.135  -0.155
  143   1HD1  ILE  18          1HD1      ILE  18 -34.088   0.700   0.033
  144   2HD1  ILE  18          2HD1      ILE  18 -32.624   1.637   0.415
  145   3HD1  ILE  18          3HD1      ILE  18 -32.525   0.239  -0.682
  146    H    THR  19           H        THR  19 -28.728   0.387   2.691
  147    HA   THR  19           HA       THR  19 -26.820  -1.472   2.174
  148    HB   THR  19           HB       THR  19 -26.796   1.156   3.726
  149    HG1  THR  19           1HG      THR  19 -27.087   1.457   1.507
  150   1HG2  THR  19          1HG2      THR  19 -24.256   0.975   2.865
  151   2HG2  THR  19          2HG2      THR  19 -24.712   0.356   4.470
  152   3HG2  THR  19          3HG2      THR  19 -24.544  -0.766   3.098
  153    H    GLN  20           H        GLN  20 -28.212  -0.647   5.377
  154    HA   GLN  20           HA       GLN  20 -26.365  -2.377   6.680
  155   1HB   GLN  20          1HB       GLN  20 -27.649  -0.229   7.570
  156   2HB   GLN  20          2HB       GLN  20 -28.915  -1.376   7.957
  157   1HG   GLN  20          1HG       GLN  20 -27.570  -2.552   9.510
  158   2HG   GLN  20          2HG       GLN  20 -26.072  -1.993   8.793
  159   1HE2  GLN  20          1HE2      GLN  20 -25.081  -0.965  10.381
  160   2HE2  GLN  20          2HE2      GLN  20 -25.708   0.362  11.299
  161    H    ALA  21           H        ALA  21 -27.306  -4.007   4.803
  162    HA   ALA  21           HA       ALA  21 -28.342  -6.162   6.111
  163   1HB   ALA  21          1HB       ALA  21 -30.436  -5.225   6.554
  164   2HB   ALA  21          2HB       ALA  21 -30.465  -4.311   5.027
  165   3HB   ALA  21          3HB       ALA  21 -30.728  -6.071   5.015
  166    H    ILE  22           H        ILE  22 -26.345  -5.558   4.213
  167    HA   ILE  22           HA       ILE  22 -27.254  -7.269   2.042
  168    HB   ILE  22           HB       ILE  22 -26.041  -4.532   1.683
  169   1HG1  ILE  22          1HG1      ILE  22 -28.577  -5.760   0.563
  170   2HG1  ILE  22          2HG1      ILE  22 -28.512  -4.680   1.941
  171   1HG2  ILE  22          1HG2      ILE  22 -26.495  -6.542  -0.525
  172   2HG2  ILE  22          2HG2      ILE  22 -25.635  -4.985  -0.595
  173   3HG2  ILE  22          3HG2      ILE  22 -24.929  -6.353   0.300
  174   1HD1  ILE  22          1HD1      ILE  22 -28.360  -2.852   0.607
  175   2HD1  ILE  22          2HD1      ILE  22 -27.020  -3.566  -0.321
  176   3HD1  ILE  22          3HD1      ILE  22 -28.704  -3.930  -0.766
  177    H    GLU  23           H        GLU  23 -24.402  -5.331   3.205
  178    HA   GLU  23           HA       GLU  23 -22.630  -7.359   2.373
  179   1HB   GLU  23          1HB       GLU  23 -20.917  -5.958   3.576
  180   2HB   GLU  23          2HB       GLU  23 -21.869  -5.059   2.412
  181   1HG   GLU  23          1HG       GLU  23 -23.007  -3.854   4.047
  182   2HG   GLU  23          2HG       GLU  23 -22.940  -5.159   5.215
  183    H    TYR  24           H        TYR  24 -24.044  -9.056   3.616
  184    HA   TYR  24           HA       TYR  24 -22.567  -9.766   5.961
  185   1HB   TYR  24          1HB       TYR  24 -24.681  -8.064   6.375
  186   2HB   TYR  24          2HB       TYR  24 -25.588  -9.559   6.260
  187    HD1  TYR  24           1HD      TYR  24 -24.051 -11.542   7.658
  188    HD2  TYR  24           2HD      TYR  24 -24.516  -7.391   8.585
  189    HE1  TYR  24           1HE      TYR  24 -23.553 -12.025  10.104
  190    HE2  TYR  24           2HE      TYR  24 -24.016  -7.888  11.028
  191    HH   TYR  24           HH       TYR  24 -24.020 -11.035  12.263
  192    H    ASN  25           H        ASN  25 -25.531 -10.284   3.950
  193    HA   ASN  25           HA       ASN  25 -25.003 -13.137   4.237
  194   1HB   ASN  25          1HB       ASN  25 -27.347 -11.794   4.845
  195   2HB   ASN  25          2HB       ASN  25 -27.660 -12.246   3.181
  196   1HD2  ASN  25          1HD2      ASN  25 -26.021 -13.729   5.981
  197   2HD2  ASN  25          2HD2      ASN  25 -26.839 -15.255   5.929
  198    H    LEU  26           H        LEU  26 -23.560 -11.508   2.358
  199    HA   LEU  26           HA       LEU  26 -24.637 -12.570  -0.139
  200   1HB   LEU  26          1HB       LEU  26 -25.416 -10.413  -0.360
  201   2HB   LEU  26          2HB       LEU  26 -24.061  -9.708   0.498
  202    HG   LEU  26           HG       LEU  26 -22.615 -10.372  -1.500
  203   1HD1  LEU  26          1HD1      LEU  26 -24.258 -12.000  -2.435
  204   2HD1  LEU  26          2HD1      LEU  26 -25.292 -10.625  -2.893
  205   3HD1  LEU  26          3HD1      LEU  26 -23.673 -10.798  -3.610
  206   1HD2  LEU  26          1HD2      LEU  26 -24.602  -8.193  -1.295
  207   2HD2  LEU  26          2HD2      LEU  26 -22.837  -8.132  -1.517
  208   3HD2  LEU  26          3HD2      LEU  26 -23.900  -8.449  -2.910
  209    H    LYS  27           H        LYS  27 -21.853 -10.655   1.213
  210    HA   LYS  27           HA       LYS  27 -20.109 -12.695   0.020
  211   1HB   LYS  27          1HB       LYS  27 -20.272 -10.262  -1.032
  212   2HB   LYS  27          2HB       LYS  27 -19.188  -9.857   0.284
  213   1HG   LYS  27          1HG       LYS  27 -17.858 -12.016  -0.511
  214   2HG   LYS  27          2HG       LYS  27 -18.742 -11.790  -2.006
  215   1HD   LYS  27          1HD       LYS  27 -17.897  -9.428  -2.135
  216   2HD   LYS  27          2HD       LYS  27 -16.991  -9.680  -0.656
  217   1HE   LYS  27          1HE       LYS  27 -15.274 -10.441  -1.933
  218   2HE   LYS  27          2HE       LYS  27 -16.241 -11.860  -2.281
  219   1HZ   LYS  27          1HZ       LYS  27 -16.142 -11.146  -4.359
  220   2HZ   LYS  27          2HZ       LYS  27 -17.237 -10.005  -3.952
  221   3HZ   LYS  27          3HZ       LYS  27 -15.645  -9.644  -3.954
  222    H    ARG  28           H        ARG  28 -20.571 -13.650   2.252
  223    HA   ARG  28           HA       ARG  28 -18.738 -12.388   4.131
  224   1HB   ARG  28          1HB       ARG  28 -21.452 -12.791   4.536
  225   2HB   ARG  28          2HB       ARG  28 -20.789 -14.250   5.243
  226   1HG   ARG  28          1HG       ARG  28 -19.101 -12.157   6.160
  227   2HG   ARG  28          2HG       ARG  28 -20.725 -11.509   6.269
  228   1HD   ARG  28          1HD       ARG  28 -21.030 -12.701   8.177
  229   2HD   ARG  28          2HD       ARG  28 -20.929 -14.176   7.237
  230    HE   ARG  28           HE       ARG  28 -18.689 -14.469   7.931
  231   1HH1  ARG  28          1HH1      ARG  28 -16.818 -12.534  10.151
  232   2HH1  ARG  28          2HH1      ARG  28 -16.908 -14.037   9.295
  233   1HH2  ARG  28          1HH2      ARG  28 -18.506 -10.959   9.913
  234   2HH2  ARG  28          2HH2      ARG  28 -19.856 -11.287   8.879
  235    H    THR  29           H        THR  29 -17.915 -14.134   5.829
  236    HA   THR  29           HA       THR  29 -17.648 -16.760   4.558
  237    HB   THR  29           HB       THR  29 -15.701 -15.256   3.909
  238    HG1  THR  29           1HG      THR  29 -14.347 -17.037   4.360
  239   1HG2  THR  29          1HG2      THR  29 -15.787 -14.379   6.553
  240   2HG2  THR  29          2HG2      THR  29 -14.489 -15.596   6.602
  241   3HG2  THR  29          3HG2      THR  29 -14.376 -14.218   5.481
  242    HA   PRO  30           HA       PRO  30 -18.671 -17.280   8.849
  243   1HB   PRO  30          1HB       PRO  30 -20.398 -19.370   8.503
  244   2HB   PRO  30          2HB       PRO  30 -20.914 -17.695   8.534
  245   1HG   PRO  30          1HG       PRO  30 -20.640 -19.507   6.214
  246   2HG   PRO  30          2HG       PRO  30 -21.536 -18.006   6.335
  247   1HD   PRO  30          1HD       PRO  30 -19.003 -18.393   5.046
  248   2HD   PRO  30          2HD       PRO  30 -19.845 -16.872   5.268
  249    H    ARG  31           H        ARG  31 -18.618 -19.285  10.339
  250    HA   ARG  31           HA       ARG  31 -16.934 -21.296   9.197
  251   1HB   ARG  31          1HB       ARG  31 -15.689 -19.128  10.444
  252   2HB   ARG  31          2HB       ARG  31 -15.801 -20.287  11.754
  253   1HG   ARG  31          1HG       ARG  31 -13.978 -21.328  10.899
  254   2HG   ARG  31          2HG       ARG  31 -14.966 -21.832   9.542
  255   1HD   ARG  31          1HD       ARG  31 -14.388 -19.753   8.310
  256   2HD   ARG  31          2HD       ARG  31 -13.467 -19.170   9.682
  257    HE   ARG  31           HE       ARG  31 -12.314 -21.631   9.178
  258   1HH1  ARG  31          1HH1      ARG  31 -10.266 -20.922   6.442
  259   2HH1  ARG  31          2HH1      ARG  31 -10.555 -22.001   7.767
  260   1HH2  ARG  31          1HH2      ARG  31 -11.665 -19.102   6.102
  261   2HH2  ARG  31          2HH2      ARG  31 -12.998 -18.822   7.172
  262    H    ARG  32           H        ARG  32 -16.405 -23.015  11.038
  263    HA   ARG  32           HA       ARG  32 -18.868 -23.287  12.527
  264   1HB   ARG  32          1HB       ARG  32 -18.222 -25.683  12.733
  265   2HB   ARG  32          2HB       ARG  32 -18.211 -25.175  11.056
  266   1HG   ARG  32          1HG       ARG  32 -16.000 -25.647  10.848
  267   2HG   ARG  32          2HG       ARG  32 -15.599 -24.664  12.242
  268   1HD   ARG  32          1HD       ARG  32 -15.636 -26.468  13.710
  269   2HD   ARG  32          2HD       ARG  32 -16.897 -27.306  12.828
  270    HE   ARG  32           HE       ARG  32 -14.796 -27.412  11.058
  271   1HH1  ARG  32          1HH1      ARG  32 -12.768 -29.908  12.413
  272   2HH1  ARG  32          2HH1      ARG  32 -13.184 -29.030  10.979
  273   1HH2  ARG  32          1HH2      ARG  32 -13.849 -29.442  14.414
  274   2HH2  ARG  32          2HH2      ARG  32 -15.071 -28.216  14.473
  Start of MODEL   16
    1    H    THR   1           H        THR   1 -32.907  26.529   5.490
    2    HA   THR   1           HA       THR   1 -30.181  25.900   4.615
    3    HB   THR   1           HB       THR   1 -31.036  27.640   6.981
    4    HG1  THR   1           1HG      THR   1 -29.373  28.971   5.754
    5   1HG2  THR   1          1HG2      THR   1 -28.532  26.050   6.466
    6   2HG2  THR   1          2HG2      THR   1 -28.317  27.739   6.987
    7   3HG2  THR   1          3HG2      THR   1 -29.221  26.599   8.013
    8    H    SER   2           H        SER   2 -32.552  25.694   7.351
    9    HA   SER   2           HA       SER   2 -31.338  23.222   8.128
   10   1HB   SER   2          1HB       SER   2 -33.652  24.876   9.203
   11   2HB   SER   2          2HB       SER   2 -33.283  23.289   9.851
   12    HG   SER   2           HG       SER   2 -31.092  25.076   9.618
   13    H    SER   3           H        SER   3 -33.774  24.301   5.940
   14    HA   SER   3           HA       SER   3 -35.279  21.851   6.159
   15   1HB   SER   3          1HB       SER   3 -35.893  24.510   5.396
   16   2HB   SER   3          2HB       SER   3 -36.013  23.579   3.916
   17    HG   SER   3           HG       SER   3 -37.525  22.169   4.921
   18    H    ILE   4           H        ILE   4 -32.436  21.791   5.313
   19    HA   ILE   4           HA       ILE   4 -32.867  20.549   2.706
   20    HB   ILE   4           HB       ILE   4 -30.912  22.723   3.366
   21   1HG1  ILE   4          1HG1      ILE   4 -32.136  22.476   0.689
   22   2HG1  ILE   4          2HG1      ILE   4 -33.280  22.719   1.993
   23   1HG2  ILE   4          1HG2      ILE   4 -29.424  21.052   2.614
   24   2HG2  ILE   4          2HG2      ILE   4 -30.546  20.506   1.345
   25   3HG2  ILE   4          3HG2      ILE   4 -29.744  22.089   1.203
   26   1HD1  ILE   4          1HD1      ILE   4 -32.095  24.730   2.744
   27   2HD1  ILE   4          2HD1      ILE   4 -30.801  24.447   1.555
   28   3HD1  ILE   4          3HD1      ILE   4 -32.440  24.872   1.004
   29    H    VAL   5           H        VAL   5 -30.319  21.200   5.222
   30    HA   VAL   5           HA       VAL   5 -28.801  18.999   4.869
   31    HB   VAL   5           HB       VAL   5 -29.636  20.468   7.365
   32   1HG1  VAL   5          1HG1      VAL   5 -27.837  18.081   7.075
   33   2HG1  VAL   5          2HG1      VAL   5 -27.421  19.348   8.254
   34   3HG1  VAL   5          3HG1      VAL   5 -28.980  18.498   8.374
   35   1HG2  VAL   5          1HG2      VAL   5 -27.706  21.726   7.103
   36   2HG2  VAL   5          2HG2      VAL   5 -26.896  20.480   6.123
   37   3HG2  VAL   5          3HG2      VAL   5 -28.198  21.463   5.412
   38    H    HIS   6           H        HIS   6 -31.612  19.177   7.176
   39    HA   HIS   6           HA       HIS   6 -31.663  16.621   7.985
   40   1HB   HIS   6          1HB       HIS   6 -33.209  18.653   8.497
   41   2HB   HIS   6          2HB       HIS   6 -34.223  18.011   7.220
   42    HD1  HIS   6           1HD      HIS   6 -32.694  16.884  10.543
   43    HD2  HIS   6           2HD      HIS   6 -35.927  16.008   8.018
   44    HE1  HIS   6           1HE      HIS   6 -34.141  15.195  11.795
   45    HE2  HIS   6           2HE      HIS   6 -36.140  14.737  10.217
   46    H    LEU   7           H        LEU   7 -33.280  17.892   4.990
   47    HA   LEU   7           HA       LEU   7 -34.335  15.537   4.094
   48   1HB   LEU   7          1HB       LEU   7 -34.478  17.966   3.217
   49   2HB   LEU   7          2HB       LEU   7 -33.087  17.543   2.240
   50    HG   LEU   7           HG       LEU   7 -35.422  15.694   2.124
   51   1HD1  LEU   7          1HD1      LEU   7 -36.028  18.338   1.988
   52   2HD1  LEU   7          2HD1      LEU   7 -35.648  17.991   0.284
   53   3HD1  LEU   7          3HD1      LEU   7 -36.906  17.054   1.124
   54   1HD2  LEU   7          1HD2      LEU   7 -33.967  16.772  -0.252
   55   2HD2  LEU   7          2HD2      LEU   7 -33.108  15.662   0.842
   56   3HD2  LEU   7          3HD2      LEU   7 -34.619  15.145   0.057
   57    H    CYS   8           H        CYS   8 -31.162  16.919   2.971
   58    HA   CYS   8           HA       CYS   8 -30.322  14.708   1.626
   59   1HB   CYS   8          1HB       CYS   8 -29.046  17.096   2.782
   60   2HB   CYS   8          2HB       CYS   8 -27.964  15.723   2.647
   61    HG   CYS   8           HG       CYS   8 -28.009  17.526   0.551
   62    H    ALA   9           H        ALA   9 -30.507  15.359   5.109
   63    HA   ALA   9           HA       ALA   9 -28.707  13.367   5.956
   64   1HB   ALA   9          1HB       ALA   9 -29.147  14.390   7.906
   65   2HB   ALA   9          2HB       ALA   9 -30.384  15.372   7.085
   66   3HB   ALA   9          3HB       ALA   9 -30.835  13.829   7.849
   67    H    ILE  10           H        ILE  10 -32.159  13.395   5.022
   68    HA   ILE  10           HA       ILE  10 -32.570  10.717   5.970
   69    HB   ILE  10           HB       ILE  10 -34.242  12.655   4.378
   70   1HG1  ILE  10          1HG1      ILE  10 -33.874  13.234   6.738
   71   2HG1  ILE  10          2HG1      ILE  10 -35.551  12.845   6.406
   72   1HG2  ILE  10          1HG2      ILE  10 -36.000  10.761   5.241
   73   2HG2  ILE  10          2HG2      ILE  10 -35.314  10.844   3.601
   74   3HG2  ILE  10          3HG2      ILE  10 -34.590   9.762   4.815
   75   1HD1  ILE  10          1HD1      ILE  10 -34.344  10.367   7.084
   76   2HD1  ILE  10          2HD1      ILE  10 -33.702  11.551   8.247
   77   3HD1  ILE  10          3HD1      ILE  10 -35.461  11.328   8.084
   78    H    SER  11           H        SER  11 -32.161  12.384   2.784
   79    HA   SER  11           HA       SER  11 -32.588  10.420   1.076
   80   1HB   SER  11          1HB       SER  11 -30.912  12.788   1.147
   81   2HB   SER  11          2HB       SER  11 -30.084  11.530   0.251
   82    HG   SER  11           HG       SER  11 -32.695  12.651  -0.261
   83    H    LEU  12           H        LEU  12 -29.117  11.013   1.920
   84    HA   LEU  12           HA       LEU  12 -28.112   8.636   1.204
   85   1HB   LEU  12          1HB       LEU  12 -26.379   9.022   2.978
   86   2HB   LEU  12          2HB       LEU  12 -26.644  10.329   1.841
   87    HG   LEU  12           HG       LEU  12 -28.351  10.973   3.931
   88   1HD1  LEU  12          1HD1      LEU  12 -27.532   9.347   5.445
   89   2HD1  LEU  12          2HD1      LEU  12 -25.837   9.704   5.032
   90   3HD1  LEU  12          3HD1      LEU  12 -26.804  10.897   5.932
   91   1HD2  LEU  12          1HD2      LEU  12 -26.968  12.521   2.639
   92   2HD2  LEU  12          2HD2      LEU  12 -26.765  12.775   4.389
   93   3HD2  LEU  12          3HD2      LEU  12 -25.510  11.919   3.462
   94    H    ASP  13           H        ASP  13 -29.642   9.398   4.394
   95    HA   ASP  13           HA       ASP  13 -29.185   7.152   5.729
   96   1HB   ASP  13          1HB       ASP  13 -31.014   9.268   5.891
   97   2HB   ASP  13          2HB       ASP  13 -32.059   7.865   5.796
   98    H    ARG  14           H        ARG  14 -31.825   7.711   3.286
   99    HA   ARG  14           HA       ARG  14 -33.175   5.440   3.413
  100   1HB   ARG  14          1HB       ARG  14 -33.061   7.508   1.627
  101   2HB   ARG  14          2HB       ARG  14 -32.372   6.243   0.629
  102   1HG   ARG  14          1HG       ARG  14 -34.348   4.811   0.994
  103   2HG   ARG  14          2HG       ARG  14 -35.019   5.967   2.128
  104   1HD   ARG  14          1HD       ARG  14 -34.830   7.677   0.113
  105   2HD   ARG  14          2HD       ARG  14 -34.715   6.237  -0.880
  106    HE   ARG  14           HE       ARG  14 -37.091   7.193   0.543
  107   1HH1  ARG  14          1HH1      ARG  14 -39.028   4.479  -0.487
  108   2HH1  ARG  14          2HH1      ARG  14 -39.048   6.055   0.230
  109   1HH2  ARG  14          1HH2      ARG  14 -37.013   3.523  -1.131
  110   2HH2  ARG  14          2HH2      ARG  14 -35.530   4.385  -0.894
  111    H    TYR  15           H        TYR  15 -30.122   5.933   1.497
  112    HA   TYR  15           HA       TYR  15 -29.984   3.183   0.748
  113   1HB   TYR  15          1HB       TYR  15 -27.927   5.479   0.831
  114   2HB   TYR  15          2HB       TYR  15 -27.744   4.016  -0.116
  115    HD1  TYR  15           1HD      TYR  15 -29.100   7.352  -0.029
  116    HD2  TYR  15           2HD      TYR  15 -29.395   3.574  -2.015
  117    HE1  TYR  15           1HE      TYR  15 -30.268   8.467  -1.993
  118    HE2  TYR  15           2HE      TYR  15 -30.562   4.702  -3.972
  119    HH   TYR  15           HH       TYR  15 -30.555   7.084  -4.939
  120    H    TRP  16           H        TRP  16 -28.581   5.254   3.320
  121    HA   TRP  16           HA       TRP  16 -26.510   3.762   4.197
  122   1HB   TRP  16          1HB       TRP  16 -27.099   5.882   5.167
  123   2HB   TRP  16          2HB       TRP  16 -28.598   5.236   5.807
  124    HD1  TRP  16           HD       TRP  16 -28.342   4.925   8.379
  125    HE1  TRP  16           1HE      TRP  16 -26.521   4.124  10.113
  126    HE3  TRP  16           3HE      TRP  16 -24.682   4.098   4.948
  127    HZ2  TRP  16           2HZ      TRP  16 -23.814   3.254   9.860
  128    HZ3  TRP  16           3HZ      TRP  16 -22.480   3.273   5.775
  129    HH2  TRP  16           HH       TRP  16 -22.017   2.852   8.138
  130    H    SER  17           H        SER  17 -29.990   3.375   5.201
  131    HA   SER  17           HA       SER  17 -29.573   1.122   6.712
  132   1HB   SER  17          1HB       SER  17 -31.832   2.610   5.625
  133   2HB   SER  17          2HB       SER  17 -32.161   0.891   5.557
  134    HG   SER  17           HG       SER  17 -32.570   2.310   7.646
  135    H    ILE  18           H        ILE  18 -30.406   1.506   3.212
  136    HA   ILE  18           HA       ILE  18 -30.848  -1.116   2.568
  137    HB   ILE  18           HB       ILE  18 -29.609   1.144   1.008
  138   1HG1  ILE  18          1HG1      ILE  18 -32.381  -0.048   0.793
  139   2HG1  ILE  18          2HG1      ILE  18 -32.003   1.282   1.870
  140   1HG2  ILE  18          1HG2      ILE  18 -29.832  -1.686   0.304
  141   2HG2  ILE  18          2HG2      ILE  18 -30.647  -0.607  -0.853
  142   3HG2  ILE  18          3HG2      ILE  18 -28.923  -0.371  -0.479
  143   1HD1  ILE  18          1HD1      ILE  18 -32.590   1.414  -0.918
  144   2HD1  ILE  18          2HD1      ILE  18 -32.121   2.753   0.156
  145   3HD1  ILE  18          3HD1      ILE  18 -30.874   1.851  -0.739
  146    H    THR  19           H        THR  19 -27.676   0.597   2.077
  147    HA   THR  19           HA       THR  19 -26.142  -1.560   1.504
  148    HB   THR  19           HB       THR  19 -24.276  -0.150   2.334
  149    HG1  THR  19           1HG      THR  19 -26.581   1.168   3.588
  150   1HG2  THR  19          1HG2      THR  19 -26.017   0.696   0.400
  151   2HG2  THR  19          2HG2      THR  19 -26.245   1.994   1.597
  152   3HG2  THR  19          3HG2      THR  19 -24.626   1.671   0.932
  153    H    GLN  20           H        GLN  20 -27.043  -0.422   4.812
  154    HA   GLN  20           HA       GLN  20 -25.613  -2.598   5.962
  155   1HB   GLN  20          1HB       GLN  20 -27.110  -0.214   6.915
  156   2HB   GLN  20          2HB       GLN  20 -27.207  -1.598   7.985
  157   1HG   GLN  20          1HG       GLN  20 -24.714  -1.778   7.987
  158   2HG   GLN  20          2HG       GLN  20 -24.610  -0.405   6.903
  159   1HE2  GLN  20          1HE2      GLN  20 -23.229   0.241   8.801
  160   2HE2  GLN  20          2HE2      GLN  20 -23.973   1.163  10.063
  161    H    ALA  21           H        ALA  21 -27.133  -3.917   4.238
  162    HA   ALA  21           HA       ALA  21 -28.826  -5.475   5.889
  163   1HB   ALA  21          1HB       ALA  21 -30.580  -4.662   3.753
  164   2HB   ALA  21          2HB       ALA  21 -30.832  -4.542   5.511
  165   3HB   ALA  21          3HB       ALA  21 -30.032  -3.215   4.634
  166    H    ILE  22           H        ILE  22 -28.129  -4.435   2.482
  167    HA   ILE  22           HA       ILE  22 -28.630  -6.864   1.280
  168    HB   ILE  22           HB       ILE  22 -26.719  -4.637   0.588
  169   1HG1  ILE  22          1HG1      ILE  22 -29.422  -5.323  -0.593
  170   2HG1  ILE  22          2HG1      ILE  22 -29.198  -4.168   0.705
  171   1HG2  ILE  22          1HG2      ILE  22 -26.094  -6.885  -0.413
  172   2HG2  ILE  22          2HG2      ILE  22 -27.634  -6.809  -1.302
  173   3HG2  ILE  22          3HG2      ILE  22 -26.394  -5.558  -1.560
  174   1HD1  ILE  22          1HD1      ILE  22 -28.182  -2.599  -0.664
  175   2HD1  ILE  22          2HD1      ILE  22 -27.445  -3.835  -1.710
  176   3HD1  ILE  22          3HD1      ILE  22 -29.169  -3.432  -1.889
  177    H    GLU  23           H        GLU  23 -25.343  -5.567   2.148
  178    HA   GLU  23           HA       GLU  23 -24.354  -8.254   2.048
  179   1HB   GLU  23          1HB       GLU  23 -23.201  -5.984   1.280
  180   2HB   GLU  23          2HB       GLU  23 -22.710  -5.888   2.960
  181   1HG   GLU  23          1HG       GLU  23 -21.220  -7.626   2.766
  182   2HG   GLU  23          2HG       GLU  23 -22.291  -8.569   1.750
  183    H    TYR  24           H        TYR  24 -25.473  -5.908   4.419
  184    HA   TYR  24           HA       TYR  24 -24.086  -6.926   6.655
  185   1HB   TYR  24          1HB       TYR  24 -25.344  -4.685   6.285
  186   2HB   TYR  24          2HB       TYR  24 -26.846  -5.583   6.382
  187    HD1  TYR  24           1HD      TYR  24 -23.908  -4.416   8.299
  188    HD2  TYR  24           2HD      TYR  24 -27.732  -6.323   8.504
  189    HE1  TYR  24           1HE      TYR  24 -23.921  -4.134  10.826
  190    HE2  TYR  24           2HE      TYR  24 -27.732  -6.035  11.030
  191    HH   TYR  24           HH       TYR  24 -25.758  -5.815  12.815
  192    H    ASN  25           H        ASN  25 -26.896  -8.016   4.830
  193    HA   ASN  25           HA       ASN  25 -27.182 -10.131   6.798
  194   1HB   ASN  25          1HB       ASN  25 -29.053  -8.209   6.766
  195   2HB   ASN  25          2HB       ASN  25 -29.629  -9.067   5.352
  196   1HD2  ASN  25          1HD2      ASN  25 -28.376  -9.803   8.608
  197   2HD2  ASN  25          2HD2      ASN  25 -29.559 -10.994   9.034
  198    H    LEU  26           H        LEU  26 -25.798 -11.230   5.094
  199    HA   LEU  26           HA       LEU  26 -27.497 -12.235   2.940
  200   1HB   LEU  26          1HB       LEU  26 -26.230 -10.523   1.881
  201   2HB   LEU  26          2HB       LEU  26 -24.742 -11.050   2.642
  202    HG   LEU  26           HG       LEU  26 -25.876 -13.220   1.104
  203   1HD1  LEU  26          1HD1      LEU  26 -25.504 -12.161  -1.153
  204   2HD1  LEU  26          2HD1      LEU  26 -26.973 -11.643  -0.292
  205   3HD1  LEU  26          3HD1      LEU  26 -25.545 -10.581  -0.335
  206   1HD2  LEU  26          1HD2      LEU  26 -23.404 -11.937   0.153
  207   2HD2  LEU  26          2HD2      LEU  26 -23.399 -12.370   1.880
  208   3HD2  LEU  26          3HD2      LEU  26 -23.718 -13.617   0.650
  209    H    LYS  27           H        LYS  27 -24.185 -12.555   4.414
  210    HA   LYS  27           HA       LYS  27 -24.816 -15.378   4.842
  211   1HB   LYS  27          1HB       LYS  27 -23.320 -14.701   2.716
  212   2HB   LYS  27          2HB       LYS  27 -22.056 -14.712   3.930
  213   1HG   LYS  27          1HG       LYS  27 -24.028 -17.017   3.635
  214   2HG   LYS  27          2HG       LYS  27 -22.537 -16.949   2.717
  215   1HD   LYS  27          1HD       LYS  27 -22.391 -16.551   5.708
  216   2HD   LYS  27          2HD       LYS  27 -22.652 -18.174   5.101
  217   1HE   LYS  27          1HE       LYS  27 -20.439 -18.356   4.648
  218   2HE   LYS  27          2HE       LYS  27 -20.570 -17.045   3.492
  219   1HZ   LYS  27          1HZ       LYS  27 -19.024 -16.782   5.474
  220   2HZ   LYS  27          2HZ       LYS  27 -19.970 -15.513   5.075
  221   3HZ   LYS  27          3HZ       LYS  27 -20.368 -16.460   6.344
  222    H    ARG  28           H        ARG  28 -25.278 -14.468   7.022
  223    HA   ARG  28           HA       ARG  28 -22.756 -14.085   8.425
  224   1HB   ARG  28          1HB       ARG  28 -24.497 -12.075   8.212
  225   2HB   ARG  28          2HB       ARG  28 -25.360 -12.934   9.473
  226   1HG   ARG  28          1HG       ARG  28 -23.927 -12.153  11.046
  227   2HG   ARG  28          2HG       ARG  28 -22.563 -12.856  10.200
  228   1HD   ARG  28          1HD       ARG  28 -22.932 -10.715   8.589
  229   2HD   ARG  28          2HD       ARG  28 -23.660 -10.052  10.039
  230    HE   ARG  28           HE       ARG  28 -21.308 -11.088  11.011
  231   1HH1  ARG  28          1HH1      ARG  28 -18.937  -8.749   9.969
  232   2HH1  ARG  28          2HH1      ARG  28 -19.296 -10.009  11.102
  233   1HH2  ARG  28          1HH2      ARG  28 -20.500  -8.157   8.358
  234   2HH2  ARG  28          2HH2      ARG  28 -22.025  -8.976   8.290
  235    H    THR  29           H        THR  29 -23.066 -14.619  10.909
  236    HA   THR  29           HA       THR  29 -24.933 -16.883  11.164
  237    HB   THR  29           HB       THR  29 -22.003 -16.637  12.021
  238    HG1  THR  29           1HG      THR  29 -23.587 -18.450  10.337
  239   1HG2  THR  29          1HG2      THR  29 -24.009 -18.916  12.449
  240   2HG2  THR  29          2HG2      THR  29 -22.268 -18.984  12.813
  241   3HG2  THR  29          3HG2      THR  29 -23.330 -17.899  13.743
  242    HA   PRO  30           HA       PRO  30 -25.800 -13.959  14.441
  243   1HB   PRO  30          1HB       PRO  30 -28.518 -13.932  14.158
  244   2HB   PRO  30          2HB       PRO  30 -27.463 -12.764  13.388
  245   1HG   PRO  30          1HG       PRO  30 -28.874 -15.064  12.182
  246   2HG   PRO  30          2HG       PRO  30 -28.178 -13.664  11.389
  247   1HD   PRO  30          1HD       PRO  30 -27.068 -16.307  11.493
  248   2HD   PRO  30          2HD       PRO  30 -26.318 -14.882  10.802
  249    H    ARG  31           H        ARG  31 -27.570 -14.158  16.312
  250    HA   ARG  31           HA       ARG  31 -27.718 -17.008  16.847
  251   1HB   ARG  31          1HB       ARG  31 -25.786 -16.014  18.107
  252   2HB   ARG  31          2HB       ARG  31 -26.869 -14.854  18.850
  253   1HG   ARG  31          1HG       ARG  31 -27.180 -16.376  20.508
  254   2HG   ARG  31          2HG       ARG  31 -28.135 -17.298  19.365
  255   1HD   ARG  31          1HD       ARG  31 -25.484 -17.965  18.691
  256   2HD   ARG  31          2HD       ARG  31 -25.449 -17.870  20.440
  257    HE   ARG  31           HE       ARG  31 -26.841 -19.871  18.838
  258   1HH1  ARG  31          1HH1      ARG  31 -28.346 -21.370  21.607
  259   2HH1  ARG  31          2HH1      ARG  31 -27.969 -21.534  19.924
  260   1HH2  ARG  31          1HH2      ARG  31 -27.703 -19.460  22.758
  261   2HH2  ARG  31          2HH2      ARG  31 -26.847 -18.199  21.935
  262    H    ARG  32           H        ARG  32 -29.623 -17.666  17.977
  263    HA   ARG  32           HA       ARG  32 -31.457 -15.474  18.536
  264   1HB   ARG  32          1HB       ARG  32 -31.767 -17.866  16.838
  265   2HB   ARG  32          2HB       ARG  32 -33.036 -17.766  18.042
  266   1HG   ARG  32          1HG       ARG  32 -33.484 -15.387  17.333
  267   2HG   ARG  32          2HG       ARG  32 -32.263 -15.549  16.087
  268   1HD   ARG  32          1HD       ARG  32 -34.651 -17.439  16.280
  269   2HD   ARG  32          2HD       ARG  32 -34.707 -15.951  15.356
  270    HE   ARG  32           HE       ARG  32 -32.368 -17.514  14.653
  271   1HH1  ARG  32          1HH1      ARG  32 -33.770 -18.816  11.734
  272   2HH1  ARG  32          2HH1      ARG  32 -32.306 -18.565  12.625
  273   1HH2  ARG  32          1HH2      ARG  32 -35.795 -18.085  12.602
  274   2HH2  ARG  32          2HH2      ARG  32 -35.842 -17.288  14.139
  Start of MODEL   17
    1    H    THR   1           H        THR   1 -30.538  25.718   4.879
    2    HA   THR   1           HA       THR   1 -27.888  24.990   5.930
    3    HB   THR   1           HB       THR   1 -29.978  27.070   6.752
    4    HG1  THR   1           1HG      THR   1 -28.110  28.409   6.117
    5   1HG2  THR   1          1HG2      THR   1 -29.038  26.807   8.854
    6   2HG2  THR   1          2HG2      THR   1 -27.643  25.902   8.217
    7   3HG2  THR   1          3HG2      THR   1 -27.669  27.679   8.123
    8    H    SER   2           H        SER   2 -31.376  25.114   6.932
    9    HA   SER   2           HA       SER   2 -30.743  22.820   8.613
   10   1HB   SER   2          1HB       SER   2 -32.613  25.149   8.896
   11   2HB   SER   2          2HB       SER   2 -33.168  23.617   9.541
   12    HG   SER   2           HG       SER   2 -31.210  25.342  10.507
   13    H    SER   3           H        SER   3 -32.308  23.864   5.735
   14    HA   SER   3           HA       SER   3 -34.289  21.767   5.869
   15   1HB   SER   3          1HB       SER   3 -34.617  24.210   4.933
   16   2HB   SER   3          2HB       SER   3 -33.837  23.591   3.491
   17    HG   SER   3           HG       SER   3 -35.845  21.895   4.442
   18    H    ILE   4           H        ILE   4 -31.154  22.580   4.448
   19    HA   ILE   4           HA       ILE   4 -31.292  20.547   2.432
   20    HB   ILE   4           HB       ILE   4 -29.084  22.331   3.450
   21   1HG1  ILE   4          1HG1      ILE   4 -30.885  23.474   2.243
   22   2HG1  ILE   4          2HG1      ILE   4 -29.379  23.511   1.349
   23   1HG2  ILE   4          1HG2      ILE   4 -27.762  20.655   2.667
   24   2HG2  ILE   4          2HG2      ILE   4 -29.008  20.029   1.560
   25   3HG2  ILE   4          3HG2      ILE   4 -28.087  21.490   1.129
   26   1HD1  ILE   4          1HD1      ILE   4 -31.937  22.394   0.553
   27   2HD1  ILE   4          2HD1      ILE   4 -30.460  22.604  -0.419
   28   3HD1  ILE   4          3HD1      ILE   4 -30.695  21.119   0.534
   29    H    VAL   5           H        VAL   5 -29.169  21.022   5.350
   30    HA   VAL   5           HA       VAL   5 -27.986  18.620   5.444
   31    HB   VAL   5           HB       VAL   5 -29.106  20.330   7.663
   32   1HG1  VAL   5          1HG1      VAL   5 -28.090  17.642   7.858
   33   2HG1  VAL   5          2HG1      VAL   5 -26.960  18.766   8.650
   34   3HG1  VAL   5          3HG1      VAL   5 -28.669  18.724   9.147
   35   1HG2  VAL   5          1HG2      VAL   5 -26.203  20.109   7.369
   36   2HG2  VAL   5          2HG2      VAL   5 -26.998  20.736   5.906
   37   3HG2  VAL   5          3HG2      VAL   5 -27.238  21.553   7.468
   38    H    HIS   6           H        HIS   6 -31.168  19.338   7.061
   39    HA   HIS   6           HA       HIS   6 -31.777  16.912   7.987
   40   1HB   HIS   6          1HB       HIS   6 -33.127  19.272   7.575
   41   2HB   HIS   6          2HB       HIS   6 -34.034  18.164   6.564
   42    HD1  HIS   6           1HD      HIS   6 -32.600  18.005  10.133
   43    HD2  HIS   6           2HD      HIS   6 -36.067  17.043   7.977
   44    HE1  HIS   6           1HE      HIS   6 -34.245  17.030  11.822
   45    HE2  HIS   6           2HE      HIS   6 -36.375  16.509  10.449
   46    H    LEU   7           H        LEU   7 -32.434  18.028   4.592
   47    HA   LEU   7           HA       LEU   7 -33.537  15.706   3.649
   48   1HB   LEU   7          1HB       LEU   7 -32.604  18.156   2.625
   49   2HB   LEU   7          2HB       LEU   7 -31.812  16.911   1.679
   50    HG   LEU   7           HG       LEU   7 -34.802  16.957   2.132
   51   1HD1  LEU   7          1HD1      LEU   7 -34.343  19.033   1.070
   52   2HD1  LEU   7          2HD1      LEU   7 -33.187  18.281  -0.056
   53   3HD1  LEU   7          3HD1      LEU   7 -34.924  17.919  -0.192
   54   1HD2  LEU   7          1HD2      LEU   7 -33.155  15.607  -0.022
   55   2HD2  LEU   7          2HD2      LEU   7 -33.766  14.806   1.446
   56   3HD2  LEU   7          3HD2      LEU   7 -34.909  15.461   0.248
   57    H    CYS   8           H        CYS   8 -30.046  16.620   3.894
   58    HA   CYS   8           HA       CYS   8 -28.970  14.462   2.631
   59   1HB   CYS   8          1HB       CYS   8 -27.962  16.601   3.983
   60   2HB   CYS   8          2HB       CYS   8 -27.563  15.312   5.102
   61    HG   CYS   8           HG       CYS   8 -25.456  15.463   3.764
   62    H    ALA   9           H        ALA   9 -30.737  14.673   5.661
   63    HA   ALA   9           HA       ALA   9 -29.926  11.929   6.327
   64   1HB   ALA   9          1HB       ALA   9 -29.623  12.790   8.381
   65   2HB   ALA   9          2HB       ALA   9 -30.297  14.358   7.876
   66   3HB   ALA   9          3HB       ALA   9 -31.379  13.072   8.462
   67    H    ILE  10           H        ILE  10 -31.681  12.326   4.147
   68    HA   ILE  10           HA       ILE  10 -34.025  11.020   5.228
   69    HB   ILE  10           HB       ILE  10 -34.144  13.635   3.734
   70   1HG1  ILE  10          1HG1      ILE  10 -35.277  12.746   6.403
   71   2HG1  ILE  10          2HG1      ILE  10 -33.904  13.809   6.167
   72   1HG2  ILE  10          1HG2      ILE  10 -36.447  13.346   3.347
   73   2HG2  ILE  10          2HG2      ILE  10 -35.684  11.830   2.809
   74   3HG2  ILE  10          3HG2      ILE  10 -36.527  11.895   4.375
   75   1HD1  ILE  10          1HD1      ILE  10 -36.120  14.986   6.627
   76   2HD1  ILE  10          2HD1      ILE  10 -35.279  15.523   5.153
   77   3HD1  ILE  10          3HD1      ILE  10 -36.668  14.416   5.032
   78    H    SER  11           H        SER  11 -32.334  12.373   2.326
   79    HA   SER  11           HA       SER  11 -33.527  10.445   0.638
   80   1HB   SER  11          1HB       SER  11 -32.093  12.856   0.321
   81   2HB   SER  11          2HB       SER  11 -31.054  11.639  -0.392
   82    HG   SER  11           HG       SER  11 -33.625  12.528  -1.201
   83    H    LEU  12           H        LEU  12 -30.364  10.865   2.314
   84    HA   LEU  12           HA       LEU  12 -29.207   8.561   1.107
   85   1HB   LEU  12          1HB       LEU  12 -27.716  10.230   1.744
   86   2HB   LEU  12          2HB       LEU  12 -28.457  10.442   3.318
   87    HG   LEU  12           HG       LEU  12 -27.633   7.951   3.691
   88   1HD1  LEU  12          1HD1      LEU  12 -26.733   7.327   1.650
   89   2HD1  LEU  12          2HD1      LEU  12 -25.994   8.921   1.365
   90   3HD1  LEU  12          3HD1      LEU  12 -25.292   7.819   2.574
   91   1HD2  LEU  12          1HD2      LEU  12 -25.248   9.335   4.107
   92   2HD2  LEU  12          2HD2      LEU  12 -26.515  10.581   4.206
   93   3HD2  LEU  12          3HD2      LEU  12 -26.596   9.145   5.254
   94    H    ASP  13           H        ASP  13 -30.362   9.296   4.477
   95    HA   ASP  13           HA       ASP  13 -30.021   6.962   5.639
   96   1HB   ASP  13          1HB       ASP  13 -32.198   9.014   5.753
   97   2HB   ASP  13          2HB       ASP  13 -32.578   7.478   6.507
   98    H    ARG  14           H        ARG  14 -32.753   7.846   3.416
   99    HA   ARG  14           HA       ARG  14 -34.330   5.726   3.598
  100   1HB   ARG  14          1HB       ARG  14 -34.181   7.812   1.880
  101   2HB   ARG  14          2HB       ARG  14 -33.585   6.570   0.797
  102   1HG   ARG  14          1HG       ARG  14 -36.039   5.870   2.371
  103   2HG   ARG  14          2HG       ARG  14 -36.240   7.110   1.149
  104   1HD   ARG  14          1HD       ARG  14 -36.505   5.367  -0.309
  105   2HD   ARG  14          2HD       ARG  14 -34.758   5.235  -0.247
  106    HE   ARG  14           HE       ARG  14 -34.948   3.327   1.137
  107   1HH1  ARG  14          1HH1      ARG  14 -37.835   1.658   2.165
  108   2HH1  ARG  14          2HH1      ARG  14 -36.110   1.578   2.039
  109   1HH2  ARG  14          1HH2      ARG  14 -38.967   3.541   1.417
  110   2HH2  ARG  14          2HH2      ARG  14 -38.086   4.867   0.733
  111    H    TYR  15           H        TYR  15 -31.764   5.909   1.012
  112    HA   TYR  15           HA       TYR  15 -31.846   3.131   0.527
  113   1HB   TYR  15          1HB       TYR  15 -29.661   5.248   0.034
  114   2HB   TYR  15          2HB       TYR  15 -29.841   3.756  -0.868
  115    HD1  TYR  15           1HD      TYR  15 -30.141   7.073  -1.308
  116    HD2  TYR  15           2HD      TYR  15 -32.601   3.587  -1.621
  117    HE1  TYR  15           1HE      TYR  15 -31.626   8.264  -2.993
  118    HE2  TYR  15           2HE      TYR  15 -34.078   4.790  -3.305
  119    HH   TYR  15           HH       TYR  15 -34.264   6.547  -4.600
  120    H    TRP  16           H        TRP  16 -29.697   5.266   2.485
  121    HA   TRP  16           HA       TRP  16 -27.651   3.589   3.046
  122   1HB   TRP  16          1HB       TRP  16 -27.257   5.534   4.065
  123   2HB   TRP  16          2HB       TRP  16 -28.954   5.852   4.365
  124    HD1  TRP  16           HD       TRP  16 -29.948   5.005   6.757
  125    HE1  TRP  16           1HE      TRP  16 -28.880   4.283   9.059
  126    HE3  TRP  16           3HE      TRP  16 -25.240   4.326   4.959
  127    HZ2  TRP  16           2HZ      TRP  16 -26.245   3.526   9.853
  128    HZ3  TRP  16           3HZ      TRP  16 -23.478   3.595   6.565
  129    HH2  TRP  16           HH       TRP  16 -23.919   3.197   8.935
  130    H    SER  17           H        SER  17 -30.795   3.825   4.872
  131    HA   SER  17           HA       SER  17 -30.470   1.953   6.699
  132   1HB   SER  17          1HB       SER  17 -32.559   3.241   6.348
  133   2HB   SER  17          2HB       SER  17 -32.933   2.284   4.929
  134    HG   SER  17           HG       SER  17 -33.948   1.678   7.103
  135    H    ILE  18           H        ILE  18 -31.044   1.391   3.195
  136    HA   ILE  18           HA       ILE  18 -31.276  -1.438   3.507
  137    HB   ILE  18           HB       ILE  18 -30.881   0.310   1.075
  138   1HG1  ILE  18          1HG1      ILE  18 -33.437  -1.028   1.961
  139   2HG1  ILE  18          2HG1      ILE  18 -32.990   0.563   2.545
  140   1HG2  ILE  18          1HG2      ILE  18 -30.411  -2.399   1.227
  141   2HG2  ILE  18          2HG2      ILE  18 -32.107  -2.322   0.693
  142   3HG2  ILE  18          3HG2      ILE  18 -30.840  -1.492  -0.243
  143   1HD1  ILE  18          1HD1      ILE  18 -34.463   0.535   0.456
  144   2HD1  ILE  18          2HD1      ILE  18 -32.966   1.487   0.313
  145   3HD1  ILE  18          3HD1      ILE  18 -33.065  -0.131  -0.422
  146    H    THR  19           H        THR  19 -28.713   0.881   2.445
  147    HA   THR  19           HA       THR  19 -26.794  -0.951   1.704
  148    HB   THR  19           HB       THR  19 -26.659   1.813   3.004
  149    HG1  THR  19           1HG      THR  19 -27.617   1.318   0.797
  150   1HG2  THR  19          1HG2      THR  19 -24.490  -0.067   2.500
  151   2HG2  THR  19          2HG2      THR  19 -24.391   1.279   1.339
  152   3HG2  THR  19          3HG2      THR  19 -24.385   1.610   3.088
  153    H    GLN  20           H        GLN  20 -27.638   0.224   5.001
  154    HA   GLN  20           HA       GLN  20 -25.563  -1.434   6.085
  155   1HB   GLN  20          1HB       GLN  20 -26.263  -0.487   8.257
  156   2HB   GLN  20          2HB       GLN  20 -25.999   0.782   7.077
  157   1HG   GLN  20          1HG       GLN  20 -28.078   1.528   7.631
  158   2HG   GLN  20          2HG       GLN  20 -28.689   0.187   6.683
  159   1HE2  GLN  20          1HE2      GLN  20 -27.156   0.615   9.876
  160   2HE2  GLN  20          2HE2      GLN  20 -28.313  -0.288  10.796
  161    H    ALA  21           H        ALA  21 -27.237  -3.071   4.656
  162    HA   ALA  21           HA       ALA  21 -28.059  -4.924   6.572
  163   1HB   ALA  21          1HB       ALA  21 -29.884  -3.034   6.677
  164   2HB   ALA  21          2HB       ALA  21 -30.456  -3.761   5.156
  165   3HB   ALA  21          3HB       ALA  21 -30.387  -4.741   6.640
  166    H    ILE  22           H        ILE  22 -26.414  -4.726   4.201
  167    HA   ILE  22           HA       ILE  22 -27.794  -6.739   2.596
  168    HB   ILE  22           HB       ILE  22 -26.528  -4.200   1.600
  169   1HG1  ILE  22          1HG1      ILE  22 -29.176  -5.519   0.938
  170   2HG1  ILE  22          2HG1      ILE  22 -28.971  -4.258   2.138
  171   1HG2  ILE  22          1HG2      ILE  22 -27.255  -5.732  -0.630
  172   2HG2  ILE  22          2HG2      ILE  22 -25.612  -5.290  -0.105
  173   3HG2  ILE  22          3HG2      ILE  22 -26.329  -6.834   0.418
  174   1HD1  ILE  22          1HD1      ILE  22 -27.885  -3.782  -0.639
  175   2HD1  ILE  22          2HD1      ILE  22 -29.637  -3.643  -0.361
  176   3HD1  ILE  22          3HD1      ILE  22 -28.508  -2.608   0.545
  177    H    GLU  23           H        GLU  23 -24.625  -4.956   2.639
  178    HA   GLU  23           HA       GLU  23 -23.120  -7.090   1.892
  179   1HB   GLU  23          1HB       GLU  23 -22.569  -4.518   2.350
  180   2HB   GLU  23          2HB       GLU  23 -22.006  -5.125   3.894
  181   1HG   GLU  23          1HG       GLU  23 -20.115  -5.969   2.961
  182   2HG   GLU  23          2HG       GLU  23 -21.030  -6.846   1.752
  183    H    TYR  24           H        TYR  24 -24.734  -6.507   4.932
  184    HA   TYR  24           HA       TYR  24 -23.075  -7.896   6.681
  185   1HB   TYR  24          1HB       TYR  24 -25.202  -6.418   7.032
  186   2HB   TYR  24          2HB       TYR  24 -26.150  -7.804   6.532
  187    HD1  TYR  24           1HD      TYR  24 -26.917  -9.308   8.144
  188    HD2  TYR  24           2HD      TYR  24 -23.553  -6.826   9.054
  189    HE1  TYR  24           1HE      TYR  24 -26.933 -10.153  10.542
  190    HE2  TYR  24           2HE      TYR  24 -23.580  -7.680  11.448
  191    HH   TYR  24           HH       TYR  24 -26.207  -9.598  12.648
  192    H    ASN  25           H        ASN  25 -25.517  -9.018   4.312
  193    HA   ASN  25           HA       ASN  25 -24.535 -11.694   4.798
  194   1HB   ASN  25          1HB       ASN  25 -27.240 -10.726   5.433
  195   2HB   ASN  25          2HB       ASN  25 -27.310 -12.010   4.242
  196   1HD2  ASN  25          1HD2      ASN  25 -26.603 -11.122   7.493
  197   2HD2  ASN  25          2HD2      ASN  25 -26.304 -12.699   8.145
  198    H    LEU  26           H        LEU  26 -23.447 -11.263   2.697
  199    HA   LEU  26           HA       LEU  26 -25.333 -11.415   0.455
  200   1HB   LEU  26          1HB       LEU  26 -24.630  -9.228   0.275
  201   2HB   LEU  26          2HB       LEU  26 -23.019  -9.571   0.874
  202    HG   LEU  26           HG       LEU  26 -22.776 -10.940  -1.357
  203   1HD1  LEU  26          1HD1      LEU  26 -24.998  -9.007  -2.075
  204   2HD1  LEU  26          2HD1      LEU  26 -24.037  -9.965  -3.227
  205   3HD1  LEU  26          3HD1      LEU  26 -25.100 -10.784  -2.058
  206   1HD2  LEU  26          1HD2      LEU  26 -21.518  -9.224  -2.169
  207   2HD2  LEU  26          2HD2      LEU  26 -22.764  -7.997  -1.839
  208   3HD2  LEU  26          3HD2      LEU  26 -21.767  -8.633  -0.509
  209    H    LYS  27           H        LYS  27 -21.789 -11.704   1.231
  210    HA   LYS  27           HA       LYS  27 -21.909 -14.378   0.044
  211   1HB   LYS  27          1HB       LYS  27 -21.060 -12.982  -1.716
  212   2HB   LYS  27          2HB       LYS  27 -19.939 -12.181  -0.634
  213   1HG   LYS  27          1HG       LYS  27 -18.420 -13.901  -0.717
  214   2HG   LYS  27          2HG       LYS  27 -19.660 -15.137  -0.646
  215   1HD   LYS  27          1HD       LYS  27 -19.738 -13.628  -3.182
  216   2HD   LYS  27          2HD       LYS  27 -18.186 -14.398  -2.920
  217   1HE   LYS  27          1HE       LYS  27 -19.883 -16.441  -2.185
  218   2HE   LYS  27          2HE       LYS  27 -20.863 -15.637  -3.396
  219   1HZ   LYS  27          1HZ       LYS  27 -18.471 -17.136  -3.730
  220   2HZ   LYS  27          2HZ       LYS  27 -19.635 -16.781  -4.819
  221   3HZ   LYS  27          3HZ       LYS  27 -18.433 -15.714  -4.531
  222    H    ARG  28           H        ARG  28 -22.204 -14.570   2.552
  223    HA   ARG  28           HA       ARG  28 -19.674 -14.282   3.893
  224   1HB   ARG  28          1HB       ARG  28 -22.499 -14.411   4.677
  225   2HB   ARG  28          2HB       ARG  28 -21.548 -15.531   5.632
  226   1HG   ARG  28          1HG       ARG  28 -19.891 -13.363   5.724
  227   2HG   ARG  28          2HG       ARG  28 -21.424 -12.536   5.531
  228   1HD   ARG  28          1HD       ARG  28 -21.684 -14.684   7.500
  229   2HD   ARG  28          2HD       ARG  28 -20.353 -13.629   7.931
  230    HE   ARG  28           HE       ARG  28 -22.638 -12.052   7.146
  231   1HH1  ARG  28          1HH1      ARG  28 -23.746 -11.448  10.400
  232   2HH1  ARG  28          2HH1      ARG  28 -23.861 -10.963   8.741
  233   1HH2  ARG  28          1HH2      ARG  28 -22.351 -13.202  11.003
  234   2HH2  ARG  28          2HH2      ARG  28 -21.424 -14.026   9.794
  235    H    THR  29           H        THR  29 -19.071 -16.239   5.433
  236    HA   THR  29           HA       THR  29 -18.122 -18.280   5.347
  237    HB   THR  29           HB       THR  29 -19.887 -20.049   5.551
  238    HG1  THR  29           1HG      THR  29 -22.096 -19.225   5.052
  239   1HG2  THR  29          1HG2      THR  29 -21.465 -18.818   7.162
  240   2HG2  THR  29          2HG2      THR  29 -19.735 -18.660   7.551
  241   3HG2  THR  29          3HG2      THR  29 -20.593 -17.323   6.748
  242    HA   PRO  30           HA       PRO  30 -17.870 -18.697   0.882
  243   1HB   PRO  30          1HB       PRO  30 -15.188 -18.233   0.636
  244   2HB   PRO  30          2HB       PRO  30 -16.399 -16.981   0.441
  245   1HG   PRO  30          1HG       PRO  30 -14.573 -17.456   2.718
  246   2HG   PRO  30          2HG       PRO  30 -15.469 -16.005   2.313
  247   1HD   PRO  30          1HD       PRO  30 -16.115 -17.905   4.362
  248   2HD   PRO  30          2HD       PRO  30 -17.071 -16.518   3.880
  249    H    ARG  31           H        ARG  31 -18.489 -20.846   2.045
  250    HA   ARG  31           HA       ARG  31 -16.186 -22.524   2.250
  251   1HB   ARG  31          1HB       ARG  31 -19.020 -22.616   3.059
  252   2HB   ARG  31          2HB       ARG  31 -18.502 -24.145   2.377
  253   1HG   ARG  31          1HG       ARG  31 -17.788 -24.522   4.537
  254   2HG   ARG  31          2HG       ARG  31 -16.358 -23.685   3.968
  255   1HD   ARG  31          1HD       ARG  31 -16.810 -22.451   5.899
  256   2HD   ARG  31          2HD       ARG  31 -17.689 -21.499   4.719
  257    HE   ARG  31           HE       ARG  31 -19.736 -22.265   5.621
  258   1HH1  ARG  31          1HH1      ARG  31 -20.268 -24.311   8.397
  259   2HH1  ARG  31          2HH1      ARG  31 -21.001 -23.229   7.262
  260   1HH2  ARG  31          1HH2      ARG  31 -18.000 -24.783   8.252
  261   2HH2  ARG  31          2HH2      ARG  31 -17.041 -24.052   7.009
  262    H    ARG  32           H        ARG  32 -15.302 -23.459   0.434
  263    HA   ARG  32           HA       ARG  32 -17.191 -24.261  -1.628
  264   1HB   ARG  32          1HB       ARG  32 -15.195 -22.278  -1.881
  265   2HB   ARG  32          2HB       ARG  32 -14.478 -23.688  -2.637
  266   1HG   ARG  32          1HG       ARG  32 -17.312 -23.318  -3.395
  267   2HG   ARG  32          2HG       ARG  32 -16.317 -21.941  -3.827
  268   1HD   ARG  32          1HD       ARG  32 -15.160 -24.640  -4.447
  269   2HD   ARG  32          2HD       ARG  32 -16.556 -24.167  -5.395
  270    HE   ARG  32           HE       ARG  32 -13.888 -23.043  -5.582
  271   1HH1  ARG  32          1HH1      ARG  32 -14.838 -20.433  -7.695
  272   2HH1  ARG  32          2HH1      ARG  32 -13.507 -21.337  -7.055
  273   1HH2  ARG  32          1HH2      ARG  32 -17.008 -20.954  -7.058
  274   2HH2  ARG  32          2HH2      ARG  32 -17.297 -22.247  -5.942
  Start of MODEL   18
    1    H    THR   1           H        THR   1 -27.768  27.073   4.092
    2    HA   THR   1           HA       THR   1 -25.766  25.178   3.052
    3    HB   THR   1           HB       THR   1 -25.571  27.321   5.222
    4    HG1  THR   1           1HG      THR   1 -25.133  27.572   2.781
    5   1HG2  THR   1          1HG2      THR   1 -24.248  24.726   5.121
    6   2HG2  THR   1          2HG2      THR   1 -23.067  26.010   4.766
    7   3HG2  THR   1          3HG2      THR   1 -23.996  26.051   6.283
    8    H    SER   2           H        SER   2 -27.598  26.151   6.030
    9    HA   SER   2           HA       SER   2 -27.401  23.438   6.932
   10   1HB   SER   2          1HB       SER   2 -27.156  25.327   8.524
   11   2HB   SER   2          2HB       SER   2 -28.778  25.874   8.148
   12    HG   SER   2           HG       SER   2 -29.653  24.285   9.344
   13    H    SER   3           H        SER   3 -29.488  25.354   4.972
   14    HA   SER   3           HA       SER   3 -31.847  23.880   5.693
   15   1HB   SER   3          1HB       SER   3 -32.522  25.332   3.446
   16   2HB   SER   3          2HB       SER   3 -32.678  25.908   5.093
   17    HG   SER   3           HG       SER   3 -30.504  26.381   3.249
   18    H    ILE   4           H        ILE   4 -29.797  22.163   4.818
   19    HA   ILE   4           HA       ILE   4 -31.020  21.134   2.395
   20    HB   ILE   4           HB       ILE   4 -28.083  21.788   2.626
   21   1HG1  ILE   4          1HG1      ILE   4 -29.542  23.676   1.991
   22   2HG1  ILE   4          2HG1      ILE   4 -28.436  23.211   0.713
   23   1HG2  ILE   4          1HG2      ILE   4 -28.790  19.493   1.603
   24   2HG2  ILE   4          2HG2      ILE   4 -29.312  20.484   0.220
   25   3HG2  ILE   4          3HG2      ILE   4 -27.615  20.526   0.754
   26   1HD1  ILE   4          1HD1      ILE   4 -30.154  22.788  -0.699
   27   2HD1  ILE   4          2HD1      ILE   4 -30.898  21.675   0.473
   28   3HD1  ILE   4          3HD1      ILE   4 -31.261  23.416   0.545
   29    H    VAL   5           H        VAL   5 -28.224  20.632   4.669
   30    HA   VAL   5           HA       VAL   5 -28.057  17.947   4.576
   31    HB   VAL   5           HB       VAL   5 -27.847  19.807   6.947
   32   1HG1  VAL   5          1HG1      VAL   5 -26.211  17.426   7.147
   33   2HG1  VAL   5          2HG1      VAL   5 -27.384  18.096   8.305
   34   3HG1  VAL   5          3HG1      VAL   5 -27.933  16.995   7.018
   35   1HG2  VAL   5          1HG2      VAL   5 -25.930  18.833   4.836
   36   2HG2  VAL   5          2HG2      VAL   5 -26.238  20.491   5.406
   37   3HG2  VAL   5          3HG2      VAL   5 -25.339  19.350   6.434
   38    H    HIS   6           H        HIS   6 -30.206  19.787   6.865
   39    HA   HIS   6           HA       HIS   6 -31.433  17.708   8.052
   40   1HB   HIS   6          1HB       HIS   6 -31.726  20.202   8.433
   41   2HB   HIS   6          2HB       HIS   6 -32.895  20.191   7.127
   42    HD1  HIS   6           1HD      HIS   6 -32.366  18.837  10.635
   43    HD2  HIS   6           2HD      HIS   6 -35.423  19.208   7.786
   44    HE1  HIS   6           1HE      HIS   6 -34.534  18.213  11.827
   45    HE2  HIS   6           2HE      HIS   6 -36.383  18.513  10.041
   46    H    LEU   7           H        LEU   7 -32.047  19.021   4.767
   47    HA   LEU   7           HA       LEU   7 -34.304  17.337   4.333
   48   1HB   LEU   7          1HB       LEU   7 -33.161  19.586   3.141
   49   2HB   LEU   7          2HB       LEU   7 -32.981  18.318   1.945
   50    HG   LEU   7           HG       LEU   7 -35.039  19.614   1.631
   51   1HD1  LEU   7          1HD1      LEU   7 -36.660  17.562   1.811
   52   2HD1  LEU   7          2HD1      LEU   7 -35.283  17.532   0.684
   53   3HD1  LEU   7          3HD1      LEU   7 -35.174  16.683   2.244
   54   1HD2  LEU   7          1HD2      LEU   7 -36.397  18.443   3.990
   55   2HD2  LEU   7          2HD2      LEU   7 -35.237  19.753   4.316
   56   3HD2  LEU   7          3HD2      LEU   7 -36.601  20.028   3.206
   57    H    CYS   8           H        CYS   8 -30.783  17.225   3.614
   58    HA   CYS   8           HA       CYS   8 -30.907  14.963   1.984
   59   1HB   CYS   8          1HB       CYS   8 -28.704  16.265   3.584
   60   2HB   CYS   8          2HB       CYS   8 -28.427  14.748   2.750
   61    HG   CYS   8           HG       CYS   8 -27.565  16.870   1.363
   62    H    ALA   9           H        ALA   9 -30.998  15.516   5.488
   63    HA   ALA   9           HA       ALA   9 -30.156  13.078   6.443
   64   1HB   ALA   9          1HB       ALA   9 -31.475  13.645   8.423
   65   2HB   ALA   9          2HB       ALA   9 -30.694  15.111   7.783
   66   3HB   ALA   9          3HB       ALA   9 -32.425  14.822   7.485
   67    H    ILE  10           H        ILE  10 -33.199  14.019   4.837
   68    HA   ILE  10           HA       ILE  10 -34.446  11.505   5.492
   69    HB   ILE  10           HB       ILE  10 -35.262  13.904   3.864
   70   1HG1  ILE  10          1HG1      ILE  10 -37.123  13.675   5.774
   71   2HG1  ILE  10          2HG1      ILE  10 -35.806  12.884   6.617
   72   1HG2  ILE  10          1HG2      ILE  10 -37.368  12.902   3.405
   73   2HG2  ILE  10          2HG2      ILE  10 -36.117  11.754   2.872
   74   3HG2  ILE  10          3HG2      ILE  10 -36.986  11.477   4.401
   75   1HD1  ILE  10          1HD1      ILE  10 -36.212  15.698   6.212
   76   2HD1  ILE  10          2HD1      ILE  10 -34.882  14.895   7.081
   77   3HD1  ILE  10          3HD1      ILE  10 -34.731  15.233   5.340
   78    H    SER  11           H        SER  11 -33.364  13.197   2.461
   79    HA   SER  11           HA       SER  11 -33.670  10.820   0.970
   80   1HB   SER  11          1HB       SER  11 -32.344  12.238  -0.773
   81   2HB   SER  11          2HB       SER  11 -33.944  12.777  -0.302
   82    HG   SER  11           HG       SER  11 -32.599  14.584  -0.191
   83    H    LEU  12           H        LEU  12 -32.274   9.620   2.731
   84    HA   LEU  12           HA       LEU  12 -29.833   8.953   1.551
   85   1HB   LEU  12          1HB       LEU  12 -28.853  10.932   2.266
   86   2HB   LEU  12          2HB       LEU  12 -29.716  10.939   3.792
   87    HG   LEU  12           HG       LEU  12 -28.185   8.612   3.916
   88   1HD1  LEU  12          1HD1      LEU  12 -26.431  10.828   2.830
   89   2HD1  LEU  12          2HD1      LEU  12 -25.939   9.189   3.320
   90   3HD1  LEU  12          3HD1      LEU  12 -26.971   9.418   1.887
   91   1HD2  LEU  12          1HD2      LEU  12 -27.377  11.300   5.041
   92   2HD2  LEU  12          2HD2      LEU  12 -28.722  10.328   5.685
   93   3HD2  LEU  12          3HD2      LEU  12 -27.063   9.682   5.713
   94    H    ASP  13           H        ASP  13 -31.349   9.292   4.840
   95    HA   ASP  13           HA       ASP  13 -30.428   7.050   5.955
   96   1HB   ASP  13          1HB       ASP  13 -32.356   8.903   6.580
   97   2HB   ASP  13          2HB       ASP  13 -33.368   7.500   6.302
   98    H    ARG  14           H        ARG  14 -33.436   7.400   3.926
   99    HA   ARG  14           HA       ARG  14 -34.466   4.988   3.996
  100   1HB   ARG  14          1HB       ARG  14 -34.860   7.120   2.392
  101   2HB   ARG  14          2HB       ARG  14 -34.017   6.117   1.228
  102   1HG   ARG  14          1HG       ARG  14 -35.748   4.596   1.068
  103   2HG   ARG  14          2HG       ARG  14 -36.157   4.717   2.767
  104   1HD   ARG  14          1HD       ARG  14 -36.688   7.101   0.980
  105   2HD   ARG  14          2HD       ARG  14 -37.776   5.729   0.895
  106    HE   ARG  14           HE       ARG  14 -37.244   6.579   3.643
  107   1HH1  ARG  14          1HH1      ARG  14 -40.385   8.055   4.007
  108   2HH1  ARG  14          2HH1      ARG  14 -38.963   7.505   4.830
  109   1HH2  ARG  14          1HH2      ARG  14 -40.544   7.850   1.701
  110   2HH2  ARG  14          2HH2      ARG  14 -39.241   7.147   0.802
  111    H    TYR  15           H        TYR  15 -31.494   5.932   2.193
  112    HA   TYR  15           HA       TYR  15 -31.182   3.231   1.175
  113   1HB   TYR  15          1HB       TYR  15 -29.410   5.751   1.077
  114   2HB   TYR  15          2HB       TYR  15 -29.242   4.355   0.030
  115    HD1  TYR  15           1HD      TYR  15 -30.952   3.899  -1.735
  116    HD2  TYR  15           2HD      TYR  15 -31.032   7.470   0.620
  117    HE1  TYR  15           1HE      TYR  15 -32.506   4.990  -3.427
  118    HE2  TYR  15           2HE      TYR  15 -32.585   8.548  -1.079
  119    HH   TYR  15           HH       TYR  15 -33.459   8.377  -3.077
  120    H    TRP  16           H        TRP  16 -31.191   3.121   3.942
  121    HA   TRP  16           HA       TRP  16 -28.327   2.827   4.551
  122   1HB   TRP  16          1HB       TRP  16 -29.220   4.582   5.899
  123   2HB   TRP  16          2HB       TRP  16 -30.623   3.627   6.338
  124    HD1  TRP  16           HD       TRP  16 -30.372   2.877   8.820
  125    HE1  TRP  16           1HE      TRP  16 -28.488   2.015  10.454
  126    HE3  TRP  16           3HE      TRP  16 -26.571   3.212   5.459
  127    HZ2  TRP  16           2HZ      TRP  16 -25.683   1.580  10.165
  128    HZ3  TRP  16           3HZ      TRP  16 -24.290   2.549   6.216
  129    HH2  TRP  16           HH       TRP  16 -23.816   1.755   8.479
  130    H    SER  17           H        SER  17 -31.581   1.689   5.734
  131    HA   SER  17           HA       SER  17 -30.847  -0.658   6.751
  132   1HB   SER  17          1HB       SER  17 -33.144   0.156   6.857
  133   2HB   SER  17          2HB       SER  17 -33.339  -0.007   5.123
  134    HG   SER  17           HG       SER  17 -33.923  -1.832   6.961
  135    H    ILE  18           H        ILE  18 -32.053  -0.273   3.330
  136    HA   ILE  18           HA       ILE  18 -31.646  -2.751   2.395
  137    HB   ILE  18           HB       ILE  18 -31.097  -0.113   1.039
  138   1HG1  ILE  18          1HG1      ILE  18 -33.465  -1.373   0.119
  139   2HG1  ILE  18          2HG1      ILE  18 -33.499  -1.472   1.868
  140   1HG2  ILE  18          1HG2      ILE  18 -30.009  -2.186  -0.021
  141   2HG2  ILE  18          2HG2      ILE  18 -31.671  -2.696  -0.401
  142   3HG2  ILE  18          3HG2      ILE  18 -31.042  -1.161  -1.046
  143   1HD1  ILE  18          1HD1      ILE  18 -33.149   0.945   2.078
  144   2HD1  ILE  18          2HD1      ILE  18 -32.923   1.095   0.319
  145   3HD1  ILE  18          3HD1      ILE  18 -34.516   0.649   0.977
  146    H    THR  19           H        THR  19 -29.099  -0.155   2.401
  147    HA   THR  19           HA       THR  19 -27.029  -1.710   1.464
  148    HB   THR  19           HB       THR  19 -27.139   0.649   3.409
  149    HG1  THR  19           1HG      THR  19 -27.455   1.586   1.432
  150   1HG2  THR  19          1HG2      THR  19 -24.747   0.939   2.218
  151   2HG2  THR  19          2HG2      THR  19 -24.898   0.012   3.730
  152   3HG2  THR  19          3HG2      THR  19 -24.816  -0.839   2.169
  153    H    GLN  20           H        GLN  20 -27.800  -1.056   4.952
  154    HA   GLN  20           HA       GLN  20 -25.932  -2.526   6.109
  155   1HB   GLN  20          1HB       GLN  20 -28.633  -1.674   6.783
  156   2HB   GLN  20          2HB       GLN  20 -28.307  -3.237   7.507
  157   1HG   GLN  20          1HG       GLN  20 -26.539  -2.426   8.819
  158   2HG   GLN  20          2HG       GLN  20 -26.164  -1.125   7.707
  159   1HE2  GLN  20          1HE2      GLN  20 -26.469  -0.889  10.502
  160   2HE2  GLN  20          2HE2      GLN  20 -27.807   0.158  10.843
  161    H    ALA  21           H        ALA  21 -29.113  -3.881   4.973
  162    HA   ALA  21           HA       ALA  21 -28.784  -6.479   5.627
  163   1HB   ALA  21          1HB       ALA  21 -30.528  -6.860   4.171
  164   2HB   ALA  21          2HB       ALA  21 -30.616  -5.084   4.253
  165   3HB   ALA  21          3HB       ALA  21 -29.808  -5.872   2.877
  166    H    ILE  22           H        ILE  22 -27.567  -4.871   2.605
  167    HA   ILE  22           HA       ILE  22 -26.301  -7.168   1.627
  168    HB   ILE  22           HB       ILE  22 -25.948  -4.223   1.107
  169   1HG1  ILE  22          1HG1      ILE  22 -26.957  -6.104  -0.953
  170   2HG1  ILE  22          2HG1      ILE  22 -28.006  -5.858   0.430
  171   1HG2  ILE  22          1HG2      ILE  22 -24.569  -4.773  -0.808
  172   2HG2  ILE  22          2HG2      ILE  22 -23.812  -5.383   0.683
  173   3HG2  ILE  22          3HG2      ILE  22 -24.656  -6.506  -0.410
  174   1HD1  ILE  22          1HD1      ILE  22 -27.561  -4.096  -1.798
  175   2HD1  ILE  22          2HD1      ILE  22 -28.656  -3.865  -0.415
  176   3HD1  ILE  22          3HD1      ILE  22 -26.977  -3.281  -0.327
  177    H    GLU  23           H        GLU  23 -24.939  -4.272   3.354
  178    HA   GLU  23           HA       GLU  23 -22.382  -5.075   3.501
  179   1HB   GLU  23          1HB       GLU  23 -23.166  -2.896   4.312
  180   2HB   GLU  23          2HB       GLU  23 -24.037  -3.653   5.631
  181   1HG   GLU  23          1HG       GLU  23 -22.042  -4.261   6.776
  182   2HG   GLU  23          2HG       GLU  23 -21.056  -4.125   5.334
  183    H    TYR  24           H        TYR  24 -25.167  -6.488   5.112
  184    HA   TYR  24           HA       TYR  24 -23.894  -7.697   7.282
  185   1HB   TYR  24          1HB       TYR  24 -26.429  -7.410   6.335
  186   2HB   TYR  24          2HB       TYR  24 -26.112  -8.980   5.624
  187    HD1  TYR  24           1HD      TYR  24 -25.302  -7.478   8.974
  188    HD2  TYR  24           2HD      TYR  24 -27.209 -10.639   6.812
  189    HE1  TYR  24           1HE      TYR  24 -25.934  -8.604  11.164
  190    HE2  TYR  24           2HE      TYR  24 -27.835 -11.755   9.009
  191    HH   TYR  24           HH       TYR  24 -28.162 -11.211  11.272
  192    H    ASN  25           H        ASN  25 -24.359  -8.750   3.862
  193    HA   ASN  25           HA       ASN  25 -22.325 -10.752   4.388
  194   1HB   ASN  25          1HB       ASN  25 -25.134 -11.221   3.588
  195   2HB   ASN  25          2HB       ASN  25 -24.008 -11.921   2.442
  196   1HD2  ASN  25          1HD2      ASN  25 -25.493 -12.172   5.479
  197   2HD2  ASN  25          2HD2      ASN  25 -24.664 -13.561   6.097
  198    H    LEU  26           H        LEU  26 -20.988  -9.050   3.269
  199    HA   LEU  26           HA       LEU  26 -21.521  -8.998   0.380
  200   1HB   LEU  26          1HB       LEU  26 -21.895  -6.827   1.427
  201   2HB   LEU  26          2HB       LEU  26 -20.286  -6.860   2.120
  202    HG   LEU  26           HG       LEU  26 -20.656  -7.029  -0.863
  203   1HD1  LEU  26          1HD1      LEU  26 -20.064  -4.349  -0.217
  204   2HD1  LEU  26          2HD1      LEU  26 -21.534  -4.997  -0.983
  205   3HD1  LEU  26          3HD1      LEU  26 -21.460  -4.813   0.786
  206   1HD2  LEU  26          1HD2      LEU  26 -18.434  -7.032   0.883
  207   2HD2  LEU  26          2HD2      LEU  26 -18.440  -6.980  -0.897
  208   3HD2  LEU  26          3HD2      LEU  26 -18.423  -5.465   0.038
  209    H    LYS  27           H        LYS  27 -18.885  -8.635   2.860
  210    HA   LYS  27           HA       LYS  27 -17.138 -10.037   0.965
  211   1HB   LYS  27          1HB       LYS  27 -16.448  -7.744   1.551
  212   2HB   LYS  27          2HB       LYS  27 -16.427  -8.173   3.249
  213   1HG   LYS  27          1HG       LYS  27 -14.829 -10.156   2.355
  214   2HG   LYS  27          2HG       LYS  27 -14.545  -9.017   1.053
  215   1HD   LYS  27          1HD       LYS  27 -13.057  -7.948   2.388
  216   2HD   LYS  27          2HD       LYS  27 -14.394  -7.449   3.405
  217   1HE   LYS  27          1HE       LYS  27 -14.188  -9.691   4.626
  218   2HE   LYS  27          2HE       LYS  27 -12.726  -9.989   3.707
  219   1HZ   LYS  27          1HZ       LYS  27 -12.121  -7.648   4.603
  220   2HZ   LYS  27          2HZ       LYS  27 -13.203  -8.010   5.771
  221   3HZ   LYS  27          3HZ       LYS  27 -11.904  -8.971   5.536
  222    H    ARG  28           H        ARG  28 -18.461 -11.987   1.768
  223    HA   ARG  28           HA       ARG  28 -16.959 -13.072   3.979
  224   1HB   ARG  28          1HB       ARG  28 -19.278 -12.155   4.743
  225   2HB   ARG  28          2HB       ARG  28 -19.980 -13.465   3.816
  226   1HG   ARG  28          1HG       ARG  28 -18.729 -15.132   5.152
  227   2HG   ARG  28          2HG       ARG  28 -17.907 -13.855   6.027
  228   1HD   ARG  28          1HD       ARG  28 -20.270 -13.027   6.729
  229   2HD   ARG  28          2HD       ARG  28 -20.873 -14.555   6.118
  230    HE   ARG  28           HE       ARG  28 -19.292 -14.147   8.553
  231   1HH1  ARG  28          1HH1      ARG  28 -19.250 -17.554   9.309
  232   2HH1  ARG  28          2HH1      ARG  28 -18.937 -15.957   9.903
  233   1HH2  ARG  28          1HH2      ARG  28 -20.029 -17.855   7.143
  234   2HH2  ARG  28          2HH2      ARG  28 -20.297 -16.482   6.121
  235    H    THR  29           H        THR  29 -16.888 -15.460   3.945
  236    HA   THR  29           HA       THR  29 -17.885 -16.601   1.419
  237    HB   THR  29           HB       THR  29 -15.158 -16.826   2.778
  238    HG1  THR  29           1HG      THR  29 -15.303 -15.166   1.213
  239   1HG2  THR  29          1HG2      THR  29 -14.815 -18.299   0.568
  240   2HG2  THR  29          2HG2      THR  29 -15.376 -19.065   2.073
  241   3HG2  THR  29          3HG2      THR  29 -16.545 -18.650   0.797
  242    HA   PRO  30           HA       PRO  30 -19.623 -19.053   4.691
  243   1HB   PRO  30          1HB       PRO  30 -22.067 -19.433   3.528
  244   2HB   PRO  30          2HB       PRO  30 -21.727 -18.117   4.634
  245   1HG   PRO  30          1HG       PRO  30 -22.024 -18.037   1.694
  246   2HG   PRO  30          2HG       PRO  30 -22.109 -16.716   2.843
  247   1HD   PRO  30          1HD       PRO  30 -19.911 -17.346   1.111
  248   2HD   PRO  30          2HD       PRO  30 -19.952 -16.098   2.341
  249    H    ARG  31           H        ARG  31 -20.951 -21.263   4.528
  250    HA   ARG  31           HA       ARG  31 -19.472 -22.688   2.464
  251   1HB   ARG  31          1HB       ARG  31 -19.455 -23.073   5.256
  252   2HB   ARG  31          2HB       ARG  31 -20.517 -24.342   4.679
  253   1HG   ARG  31          1HG       ARG  31 -17.752 -23.807   3.499
  254   2HG   ARG  31          2HG       ARG  31 -18.041 -24.963   4.783
  255   1HD   ARG  31          1HD       ARG  31 -18.686 -26.525   3.268
  256   2HD   ARG  31          2HD       ARG  31 -19.974 -25.480   2.704
  257    HE   ARG  31           HE       ARG  31 -17.407 -24.644   1.635
  258   1HH1  ARG  31          1HH1      ARG  31 -17.928 -26.108  -1.490
  259   2HH1  ARG  31          2HH1      ARG  31 -16.970 -24.987  -0.582
  260   1HH2  ARG  31          1HH2      ARG  31 -19.655 -27.263  -0.455
  261   2HH2  ARG  31          2HH2      ARG  31 -19.986 -27.003   1.226
  262    H    ARG  32           H        ARG  32 -20.637 -24.096   1.094
  263    HA   ARG  32           HA       ARG  32 -23.503 -23.904   1.405
  264   1HB   ARG  32          1HB       ARG  32 -21.650 -24.562  -0.912
  265   2HB   ARG  32          2HB       ARG  32 -23.341 -25.014  -1.002
  266   1HG   ARG  32          1HG       ARG  32 -24.056 -22.837  -1.229
  267   2HG   ARG  32          2HG       ARG  32 -22.876 -22.218  -0.090
  268   1HD   ARG  32          1HD       ARG  32 -21.084 -22.613  -1.894
  269   2HD   ARG  32          2HD       ARG  32 -22.388 -22.955  -3.013
  270    HE   ARG  32           HE       ARG  32 -21.605 -20.335  -2.016
  271   1HH1  ARG  32          1HH1      ARG  32 -24.310 -18.694  -3.490
  272   2HH1  ARG  32          2HH1      ARG  32 -22.761 -18.500  -2.739
  273   1HH2  ARG  32          1HH2      ARG  32 -25.211 -20.815  -3.762
  274   2HH2  ARG  32          2HH2      ARG  32 -24.335 -22.205  -3.213
  Start of MODEL   19
    1    H    THR   1           H        THR   1 -27.825  28.075   3.628
    2    HA   THR   1           HA       THR   1 -29.603  26.704   3.473
    3    HB   THR   1           HB       THR   1 -29.005  24.755   2.212
    4    HG1  THR   1           1HG      THR   1 -27.419  23.472   3.088
    5   1HG2  THR   1          1HG2      THR   1 -27.953  26.746   1.137
    6   2HG2  THR   1          2HG2      THR   1 -26.528  26.560   2.186
    7   3HG2  THR   1          3HG2      THR   1 -26.903  25.319   0.966
    8    H    SER   2           H        SER   2 -30.826  26.493   5.263
    9    HA   SER   2           HA       SER   2 -29.873  24.524   7.191
   10   1HB   SER   2          1HB       SER   2 -30.673  27.192   7.589
   11   2HB   SER   2          2HB       SER   2 -32.061  26.259   8.112
   12    HG   SER   2           HG       SER   2 -29.615  26.592   9.347
   13    H    SER   3           H        SER   3 -32.205  25.276   4.762
   14    HA   SER   3           HA       SER   3 -34.088  23.380   5.909
   15   1HB   SER   3          1HB       SER   3 -34.971  25.621   5.244
   16   2HB   SER   3          2HB       SER   3 -34.443  25.339   3.596
   17    HG   SER   3           HG       SER   3 -36.469  24.592   3.422
   18    H    ILE   4           H        ILE   4 -31.402  22.866   4.482
   19    HA   ILE   4           HA       ILE   4 -32.514  21.071   2.447
   20    HB   ILE   4           HB       ILE   4 -30.037  22.782   2.220
   21   1HG1  ILE   4          1HG1      ILE   4 -32.273  23.874   1.804
   22   2HG1  ILE   4          2HG1      ILE   4 -31.133  23.937   0.475
   23   1HG2  ILE   4          1HG2      ILE   4 -31.042  20.896   0.098
   24   2HG2  ILE   4          2HG2      ILE   4 -29.453  21.682   0.250
   25   3HG2  ILE   4          3HG2      ILE   4 -29.900  20.359   1.354
   26   1HD1  ILE   4          1HD1      ILE   4 -32.308  22.337  -0.798
   27   2HD1  ILE   4          2HD1      ILE   4 -33.119  21.654   0.632
   28   3HD1  ILE   4          3HD1      ILE   4 -33.623  23.238  -0.005
   29    H    VAL   5           H        VAL   5 -29.585  21.861   4.447
   30    HA   VAL   5           HA       VAL   5 -28.322  19.475   4.356
   31    HB   VAL   5           HB       VAL   5 -28.710  21.414   6.635
   32   1HG1  VAL   5          1HG1      VAL   5 -27.394  18.790   6.624
   33   2HG1  VAL   5          2HG1      VAL   5 -26.324  20.117   7.136
   34   3HG1  VAL   5          3HG1      VAL   5 -27.862  19.834   7.987
   35   1HG2  VAL   5          1HG2      VAL   5 -27.516  22.584   5.063
   36   2HG2  VAL   5          2HG2      VAL   5 -26.179  21.771   5.910
   37   3HG2  VAL   5          3HG2      VAL   5 -26.781  21.121   4.366
   38    H    HIS   6           H        HIS   6 -31.013  20.389   6.613
   39    HA   HIS   6           HA       HIS   6 -31.149  18.075   8.029
   40   1HB   HIS   6          1HB       HIS   6 -32.515  20.332   8.089
   41   2HB   HIS   6          2HB       HIS   6 -33.678  19.425   7.143
   42    HD1  HIS   6           1HD      HIS   6 -31.669  18.724  10.351
   43    HD2  HIS   6           2HD      HIS   6 -35.528  18.273   8.767
   44    HE1  HIS   6           1HE      HIS   6 -33.077  17.657  12.192
   45    HE2  HIS   6           2HE      HIS   6 -35.450  17.455  11.179
   46    H    LEU   7           H        LEU   7 -33.195  18.814   5.108
   47    HA   LEU   7           HA       LEU   7 -34.258  16.317   4.808
   48   1HB   LEU   7          1HB       LEU   7 -35.151  18.079   3.567
   49   2HB   LEU   7          2HB       LEU   7 -33.601  18.521   2.880
   50    HG   LEU   7           HG       LEU   7 -33.996  15.915   1.975
   51   1HD1  LEU   7          1HD1      LEU   7 -36.489  17.027   1.014
   52   2HD1  LEU   7          2HD1      LEU   7 -36.150  15.435   1.734
   53   3HD1  LEU   7          3HD1      LEU   7 -36.516  16.826   2.782
   54   1HD2  LEU   7          1HD2      LEU   7 -32.988  17.475   0.562
   55   2HD2  LEU   7          2HD2      LEU   7 -34.553  17.141  -0.216
   56   3HD2  LEU   7          3HD2      LEU   7 -34.328  18.636   0.724
   57    H    CYS   8           H        CYS   8 -31.148  17.602   3.469
   58    HA   CYS   8           HA       CYS   8 -30.414  15.453   1.982
   59   1HB   CYS   8          1HB       CYS   8 -29.211  17.804   2.784
   60   2HB   CYS   8          2HB       CYS   8 -28.188  16.597   3.536
   61    HG   CYS   8           HG       CYS   8 -26.971  16.011   1.600
   62    H    ALA   9           H        ALA   9 -30.698  15.802   5.483
   63    HA   ALA   9           HA       ALA   9 -29.178  13.364   5.951
   64   1HB   ALA   9          1HB       ALA   9 -30.571  14.688   8.201
   65   2HB   ALA   9          2HB       ALA   9 -28.871  14.185   8.045
   66   3HB   ALA   9          3HB       ALA   9 -29.411  15.727   7.339
   67    H    ILE  10           H        ILE  10 -31.410  12.937   4.311
   68    HA   ILE  10           HA       ILE  10 -32.938  11.208   6.050
   69    HB   ILE  10           HB       ILE  10 -34.221  13.417   4.442
   70   1HG1  ILE  10          1HG1      ILE  10 -34.207  12.798   7.410
   71   2HG1  ILE  10          2HG1      ILE  10 -33.413  14.146   6.621
   72   1HG2  ILE  10          1HG2      ILE  10 -36.186  12.340   4.411
   73   2HG2  ILE  10          2HG2      ILE  10 -35.202  10.873   4.628
   74   3HG2  ILE  10          3HG2      ILE  10 -35.955  11.656   6.038
   75   1HD1  ILE  10          1HD1      ILE  10 -35.929  14.276   7.698
   76   2HD1  ILE  10          2HD1      ILE  10 -35.361  15.335   6.385
   77   3HD1  ILE  10          3HD1      ILE  10 -36.318  13.883   6.006
   78    H    SER  11           H        SER  11 -32.819  12.601   2.691
   79    HA   SER  11           HA       SER  11 -33.726  10.362   1.429
   80   1HB   SER  11          1HB       SER  11 -32.869  12.862   0.659
   81   2HB   SER  11          2HB       SER  11 -31.581  11.867   0.009
   82    HG   SER  11           HG       SER  11 -32.960  11.617  -1.625
   83    H    LEU  12           H        LEU  12 -30.383  11.270   2.434
   84    HA   LEU  12           HA       LEU  12 -29.095   9.138   1.150
   85   1HB   LEU  12          1HB       LEU  12 -27.746  10.914   1.739
   86   2HB   LEU  12          2HB       LEU  12 -28.425  11.050   3.348
   87    HG   LEU  12           HG       LEU  12 -27.301   8.819   3.874
   88   1HD1  LEU  12          1HD1      LEU  12 -25.269   9.263   1.799
   89   2HD1  LEU  12          2HD1      LEU  12 -25.986   7.752   2.409
   90   3HD1  LEU  12          3HD1      LEU  12 -26.842   8.709   1.176
   91   1HD2  LEU  12          1HD2      LEU  12 -26.192  11.503   3.695
   92   2HD2  LEU  12          2HD2      LEU  12 -26.064  10.291   4.992
   93   3HD2  LEU  12          3HD2      LEU  12 -24.931  10.249   3.620
   94    H    ASP  13           H        ASP  13 -30.220   9.560   4.577
   95    HA   ASP  13           HA       ASP  13 -29.425   7.273   5.641
   96   1HB   ASP  13          1HB       ASP  13 -31.727   9.073   5.999
   97   2HB   ASP  13          2HB       ASP  13 -32.118   7.435   6.482
   98    H    ARG  14           H        ARG  14 -32.413   7.781   3.630
   99    HA   ARG  14           HA       ARG  14 -33.626   5.456   3.765
  100   1HB   ARG  14          1HB       ARG  14 -33.515   7.590   1.891
  101   2HB   ARG  14          2HB       ARG  14 -33.310   6.142   0.926
  102   1HG   ARG  14          1HG       ARG  14 -35.353   5.321   2.554
  103   2HG   ARG  14          2HG       ARG  14 -35.678   7.042   2.522
  104   1HD   ARG  14          1HD       ARG  14 -35.034   6.010  -0.163
  105   2HD   ARG  14          2HD       ARG  14 -36.401   5.170   0.542
  106    HE   ARG  14           HE       ARG  14 -37.661   7.167   0.485
  107   1HH1  ARG  14          1HH1      ARG  14 -36.759  10.292  -0.779
  108   2HH1  ARG  14          2HH1      ARG  14 -38.066   9.301  -0.223
  109   1HH2  ARG  14          1HH2      ARG  14 -34.596   9.450  -0.806
  110   2HH2  ARG  14          2HH2      ARG  14 -34.289   7.832  -0.270
  111    H    TYR  15           H        TYR  15 -30.531   6.107   2.075
  112    HA   TYR  15           HA       TYR  15 -30.437   3.367   1.091
  113   1HB   TYR  15          1HB       TYR  15 -28.463   5.726   0.927
  114   2HB   TYR  15          2HB       TYR  15 -28.434   4.302  -0.094
  115    HD1  TYR  15           1HD      TYR  15 -31.093   3.947  -1.088
  116    HD2  TYR  15           2HD      TYR  15 -29.025   7.608  -0.298
  117    HE1  TYR  15           1HE      TYR  15 -32.551   5.147  -2.791
  118    HE2  TYR  15           2HE      TYR  15 -30.489   8.796  -2.004
  119    HH   TYR  15           HH       TYR  15 -32.080   7.394  -4.297
  120    H    TRP  16           H        TRP  16 -30.474   3.295   3.838
  121    HA   TRP  16           HA       TRP  16 -27.648   2.777   4.467
  122   1HB   TRP  16          1HB       TRP  16 -28.318   4.705   5.710
  123   2HB   TRP  16          2HB       TRP  16 -29.808   3.940   6.224
  124    HD1  TRP  16           HD       TRP  16 -29.630   3.196   8.712
  125    HE1  TRP  16           1HE      TRP  16 -27.810   2.275  10.387
  126    HE3  TRP  16           3HE      TRP  16 -25.798   3.192   5.370
  127    HZ2  TRP  16           2HZ      TRP  16 -25.034   1.662  10.131
  128    HZ3  TRP  16           3HZ      TRP  16 -23.565   2.417   6.163
  129    HH2  TRP  16           HH       TRP  16 -23.151   1.670   8.453
  130    H    SER  17           H        SER  17 -30.990   2.099   5.751
  131    HA   SER  17           HA       SER  17 -30.448  -0.298   6.850
  132   1HB   SER  17          1HB       SER  17 -32.588   0.699   7.226
  133   2HB   SER  17          2HB       SER  17 -32.951   0.781   5.514
  134    HG   SER  17           HG       SER  17 -32.538  -1.754   6.823
  135    H    ILE  18           H        ILE  18 -31.399   0.413   3.429
  136    HA   ILE  18           HA       ILE  18 -31.616  -2.193   2.545
  137    HB   ILE  18           HB       ILE  18 -30.714   0.293   1.087
  138   1HG1  ILE  18          1HG1      ILE  18 -32.896   0.548   2.147
  139   2HG1  ILE  18          2HG1      ILE  18 -33.046   0.484   0.402
  140   1HG2  ILE  18          1HG2      ILE  18 -32.065  -1.846  -0.422
  141   2HG2  ILE  18          2HG2      ILE  18 -30.685  -0.813  -0.864
  142   3HG2  ILE  18          3HG2      ILE  18 -30.430  -2.253   0.152
  143   1HD1  ILE  18          1HD1      ILE  18 -34.162  -1.317   2.420
  144   2HD1  ILE  18          2HD1      ILE  18 -34.573  -1.166   0.695
  145   3HD1  ILE  18          3HD1      ILE  18 -33.226  -2.215   1.201
  146    H    THR  19           H        THR  19 -28.717  -0.010   2.565
  147    HA   THR  19           HA       THR  19 -26.942  -1.842   1.465
  148    HB   THR  19           HB       THR  19 -26.643   0.512   3.393
  149    HG1  THR  19           1HG      THR  19 -27.418   0.568   1.024
  150   1HG2  THR  19          1HG2      THR  19 -24.573  -0.746   3.651
  151   2HG2  THR  19          2HG2      THR  19 -24.535  -1.140   1.915
  152   3HG2  THR  19          3HG2      THR  19 -24.247   0.531   2.455
  153    H    GLN  20           H        GLN  20 -27.724  -1.226   4.947
  154    HA   GLN  20           HA       GLN  20 -25.975  -2.843   6.118
  155   1HB   GLN  20          1HB       GLN  20 -28.517  -1.712   6.779
  156   2HB   GLN  20          2HB       GLN  20 -28.564  -3.382   7.308
  157   1HG   GLN  20          1HG       GLN  20 -26.404  -3.057   8.530
  158   2HG   GLN  20          2HG       GLN  20 -26.354  -1.388   7.999
  159   1HE2  GLN  20          1HE2      GLN  20 -28.259  -3.761   9.793
  160   2HE2  GLN  20          2HE2      GLN  20 -29.019  -2.663  10.897
  161    H    ALA  21           H        ALA  21 -29.132  -3.909   4.674
  162    HA   ALA  21           HA       ALA  21 -28.971  -6.576   5.301
  163   1HB   ALA  21          1HB       ALA  21 -30.169  -5.038   2.982
  164   2HB   ALA  21          2HB       ALA  21 -30.347  -6.804   3.121
  165   3HB   ALA  21          3HB       ALA  21 -30.990  -5.741   4.396
  166    H    ILE  22           H        ILE  22 -27.507  -4.760   2.546
  167    HA   ILE  22           HA       ILE  22 -26.510  -6.998   1.212
  168    HB   ILE  22           HB       ILE  22 -25.452  -4.170   1.280
  169   1HG1  ILE  22          1HG1      ILE  22 -27.726  -3.997   0.688
  170   2HG1  ILE  22          2HG1      ILE  22 -26.843  -3.952  -0.825
  171   1HG2  ILE  22          1HG2      ILE  22 -23.886  -4.826  -0.143
  172   2HG2  ILE  22          2HG2      ILE  22 -24.446  -6.509   0.010
  173   3HG2  ILE  22          3HG2      ILE  22 -25.132  -5.454  -1.248
  174   1HD1  ILE  22          1HD1      ILE  22 -27.237  -6.481  -1.011
  175   2HD1  ILE  22          2HD1      ILE  22 -28.356  -6.313   0.363
  176   3HD1  ILE  22          3HD1      ILE  22 -28.687  -5.460  -1.163
  177    H    GLU  23           H        GLU  23 -25.020  -4.828   3.701
  178    HA   GLU  23           HA       GLU  23 -22.614  -6.256   3.721
  179   1HB   GLU  23          1HB       GLU  23 -23.459  -3.844   4.718
  180   2HB   GLU  23          2HB       GLU  23 -23.410  -4.788   6.193
  181   1HG   GLU  23          1HG       GLU  23 -21.046  -5.513   5.564
  182   2HG   GLU  23          2HG       GLU  23 -21.115  -4.394   4.217
  183    H    TYR  24           H        TYR  24 -25.766  -6.821   5.113
  184    HA   TYR  24           HA       TYR  24 -25.012  -8.293   7.379
  185   1HB   TYR  24          1HB       TYR  24 -27.303  -7.294   6.274
  186   2HB   TYR  24          2HB       TYR  24 -27.423  -8.916   5.620
  187    HD1  TYR  24           1HD      TYR  24 -27.562  -6.876   8.671
  188    HD2  TYR  24           2HD      TYR  24 -27.827 -10.841   7.087
  189    HE1  TYR  24           1HE      TYR  24 -28.598  -7.684  10.847
  190    HE2  TYR  24           2HE      TYR  24 -28.863 -11.636   9.268
  191    HH   TYR  24           HH       TYR  24 -29.957 -10.869  11.123
  192    H    ASN  25           H        ASN  25 -25.320  -9.122   3.915
  193    HA   ASN  25           HA       ASN  25 -24.131 -11.674   4.575
  194   1HB   ASN  25          1HB       ASN  25 -26.855 -11.270   3.529
  195   2HB   ASN  25          2HB       ASN  25 -25.895 -12.227   2.417
  196   1HD2  ASN  25          1HD2      ASN  25 -26.677 -11.891   5.866
  197   2HD2  ASN  25          2HD2      ASN  25 -26.679 -13.578   6.262
  198    H    LEU  26           H        LEU  26 -22.201 -10.580   3.642
  199    HA   LEU  26           HA       LEU  26 -22.350 -10.458   0.716
  200   1HB   LEU  26          1HB       LEU  26 -22.328  -8.210   1.190
  201   2HB   LEU  26          2HB       LEU  26 -21.360  -8.401   2.638
  202    HG   LEU  26           HG       LEU  26 -19.412  -9.010   1.102
  203   1HD1  LEU  26          1HD1      LEU  26 -19.480  -8.551  -1.184
  204   2HD1  LEU  26          2HD1      LEU  26 -21.019  -9.391  -0.873
  205   3HD1  LEU  26          3HD1      LEU  26 -20.992  -7.621  -1.055
  206   1HD2  LEU  26          1HD2      LEU  26 -20.654  -6.281   1.317
  207   2HD2  LEU  26          2HD2      LEU  26 -19.223  -6.949   2.139
  208   3HD2  LEU  26          3HD2      LEU  26 -19.138  -6.519   0.414
  209    H    LYS  27           H        LYS  27 -19.912 -10.236   3.408
  210    HA   LYS  27           HA       LYS  27 -18.287 -12.137   1.899
  211   1HB   LYS  27          1HB       LYS  27 -17.184 -10.062   2.471
  212   2HB   LYS  27          2HB       LYS  27 -17.623 -10.231   4.159
  213   1HG   LYS  27          1HG       LYS  27 -16.095 -11.985   4.532
  214   2HG   LYS  27          2HG       LYS  27 -16.080 -12.475   2.850
  215   1HD   LYS  27          1HD       LYS  27 -14.094 -11.350   2.746
  216   2HD   LYS  27          2HD       LYS  27 -15.089  -9.912   2.635
  217   1HE   LYS  27          1HE       LYS  27 -13.705  -9.337   4.431
  218   2HE   LYS  27          2HE       LYS  27 -15.074 -10.017   5.288
  219   1HZ   LYS  27          1HZ       LYS  27 -13.743 -11.553   6.091
  220   2HZ   LYS  27          2HZ       LYS  27 -13.338 -12.079   4.599
  221   3HZ   LYS  27          3HZ       LYS  27 -12.462 -10.901   5.315
  222    H    ARG  28           H        ARG  28 -20.213 -13.656   2.620
  223    HA   ARG  28           HA       ARG  28 -19.191 -14.986   4.970
  224   1HB   ARG  28          1HB       ARG  28 -21.809 -13.658   4.772
  225   2HB   ARG  28          2HB       ARG  28 -21.998 -15.366   5.114
  226   1HG   ARG  28          1HG       ARG  28 -19.940 -14.721   6.839
  227   2HG   ARG  28          2HG       ARG  28 -20.828 -13.211   6.811
  228   1HD   ARG  28          1HD       ARG  28 -22.629 -14.095   7.937
  229   2HD   ARG  28          2HD       ARG  28 -22.572 -15.606   7.051
  230    HE   ARG  28           HE       ARG  28 -21.181 -14.995   9.572
  231   1HH1  ARG  28          1HH1      ARG  28 -19.860 -18.217   9.791
  232   2HH1  ARG  28          2HH1      ARG  28 -20.126 -16.725  10.628
  233   1HH2  ARG  28          1HH2      ARG  28 -20.576 -18.460   7.596
  234   2HH2  ARG  28          2HH2      ARG  28 -21.375 -17.149   6.796
  235    H    THR  29           H        THR  29 -20.315 -17.287   5.138
  236    HA   THR  29           HA       THR  29 -20.743 -18.274   2.393
  237    HB   THR  29           HB       THR  29 -19.296 -19.506   4.794
  238    HG1  THR  29           1HG      THR  29 -18.580 -18.838   2.027
  239   1HG2  THR  29          1HG2      THR  29 -18.665 -21.210   2.884
  240   2HG2  THR  29          2HG2      THR  29 -20.225 -21.422   3.715
  241   3HG2  THR  29          3HG2      THR  29 -20.167 -20.651   2.111
  242    HA   PRO  30           HA       PRO  30 -24.557 -19.140   4.504
  243   1HB   PRO  30          1HB       PRO  30 -26.207 -18.613   2.390
  244   2HB   PRO  30          2HB       PRO  30 -25.768 -17.410   3.586
  245   1HG   PRO  30          1HG       PRO  30 -24.798 -17.703   0.809
  246   2HG   PRO  30          2HG       PRO  30 -24.710 -16.304   1.860
  247   1HD   PRO  30          1HD       PRO  30 -22.572 -18.105   1.217
  248   2HD   PRO  30          2HD       PRO  30 -22.515 -16.776   2.357
  249    H    ARG  31           H        ARG  31 -26.554 -20.564   3.737
  250    HA   ARG  31           HA       ARG  31 -25.637 -22.537   1.894
  251   1HB   ARG  31          1HB       ARG  31 -24.903 -22.985   4.499
  252   2HB   ARG  31          2HB       ARG  31 -26.491 -23.724   4.515
  253   1HG   ARG  31          1HG       ARG  31 -25.910 -25.247   2.723
  254   2HG   ARG  31          2HG       ARG  31 -24.443 -24.363   2.352
  255   1HD   ARG  31          1HD       ARG  31 -24.482 -25.192   5.170
  256   2HD   ARG  31          2HD       ARG  31 -24.692 -26.571   4.109
  257    HE   ARG  31           HE       ARG  31 -22.536 -24.749   3.286
  258   1HH1  ARG  31          1HH1      ARG  31 -20.058 -27.046   4.158
  259   2HH1  ARG  31          2HH1      ARG  31 -20.402 -25.564   3.329
  260   1HH2  ARG  31          1HH2      ARG  31 -21.764 -28.202   5.225
  261   2HH2  ARG  31          2HH2      ARG  31 -23.382 -27.583   5.192
  262    H    ARG  32           H        ARG  32 -27.473 -22.614   0.621
  263    HA   ARG  32           HA       ARG  32 -29.899 -23.391   1.902
  264   1HB   ARG  32          1HB       ARG  32 -29.446 -20.623   0.973
  265   2HB   ARG  32          2HB       ARG  32 -30.839 -21.350   0.198
  266   1HG   ARG  32          1HG       ARG  32 -30.419 -21.462   3.215
  267   2HG   ARG  32          2HG       ARG  32 -31.261 -20.136   2.440
  268   1HD   ARG  32          1HD       ARG  32 -32.499 -22.363   1.299
  269   2HD   ARG  32          2HD       ARG  32 -32.176 -22.915   2.931
  270    HE   ARG  32           HE       ARG  32 -33.229 -20.428   3.393
  271   1HH1  ARG  32          1HH1      ARG  32 -36.641 -20.883   2.824
  272   2HH1  ARG  32          2HH1      ARG  32 -35.443 -19.908   3.608
  273   1HH2  ARG  32          1HH2      ARG  32 -35.997 -22.716   1.555
  274   2HH2  ARG  32          2HH2      ARG  32 -34.318 -23.110   1.393
  Start of MODEL   20
    1    H    THR   1           H        THR   1 -31.062  27.733   6.300
    2    HA   THR   1           HA       THR   1 -31.302  26.336   4.552
    3    HB   THR   1           HB       THR   1 -29.541  24.710   4.575
    4    HG1  THR   1           1HG      THR   1 -28.961  23.832   6.779
    5   1HG2  THR   1          1HG2      THR   1 -28.392  25.935   6.990
    6   2HG2  THR   1          2HG2      THR   1 -27.827  26.042   5.305
    7   3HG2  THR   1          3HG2      THR   1 -29.071  27.167   5.900
    8    H    SER   2           H        SER   2 -33.335  25.711   4.080
    9    HA   SER   2           HA       SER   2 -34.330  23.452   5.631
   10   1HB   SER   2          1HB       SER   2 -35.564  25.947   4.735
   11   2HB   SER   2          2HB       SER   2 -36.471  24.568   4.146
   12    HG   SER   2           HG       SER   2 -36.218  25.553   6.741
   13    H    SER   3           H        SER   3 -33.128  24.534   2.583
   14    HA   SER   3           HA       SER   3 -34.476  22.350   1.215
   15   1HB   SER   3          1HB       SER   3 -34.157  24.960   0.429
   16   2HB   SER   3          2HB       SER   3 -32.754  24.235  -0.330
   17    HG   SER   3           HG       SER   3 -34.728  22.533  -0.850
   18    H    ILE   4           H        ILE   4 -32.196  22.103   3.180
   19    HA   ILE   4           HA       ILE   4 -30.399  20.671   1.383
   20    HB   ILE   4           HB       ILE   4 -29.611  22.786   3.370
   21   1HG1  ILE   4          1HG1      ILE   4 -28.033  23.069   1.163
   22   2HG1  ILE   4          2HG1      ILE   4 -29.493  22.429   0.435
   23   1HG2  ILE   4          1HG2      ILE   4 -28.303  20.260   2.944
   24   2HG2  ILE   4          2HG2      ILE   4 -27.279  21.583   2.334
   25   3HG2  ILE   4          3HG2      ILE   4 -27.851  21.604   4.020
   26   1HD1  ILE   4          1HD1      ILE   4 -29.617  24.881   0.516
   27   2HD1  ILE   4          2HD1      ILE   4 -30.837  24.192   1.614
   28   3HD1  ILE   4          3HD1      ILE   4 -29.325  24.863   2.272
   29    H    VAL   5           H        VAL   5 -31.330  21.425   4.804
   30    HA   VAL   5           HA       VAL   5 -30.249  19.185   5.974
   31    HB   VAL   5           HB       VAL   5 -32.709  20.817   6.603
   32   1HG1  VAL   5          1HG1      VAL   5 -33.309  19.162   7.999
   33   2HG1  VAL   5          2HG1      VAL   5 -31.742  18.333   7.838
   34   3HG1  VAL   5          3HG1      VAL   5 -31.923  19.678   8.990
   35   1HG2  VAL   5          1HG2      VAL   5 -29.960  20.797   7.893
   36   2HG2  VAL   5          2HG2      VAL   5 -30.490  21.959   6.653
   37   3HG2  VAL   5          3HG2      VAL   5 -31.303  21.914   8.236
   38    H    HIS   6           H        HIS   6 -33.665  19.621   4.795
   39    HA   HIS   6           HA       HIS   6 -34.608  17.156   5.271
   40   1HB   HIS   6          1HB       HIS   6 -35.554  19.319   4.015
   41   2HB   HIS   6          2HB       HIS   6 -35.233  18.336   2.600
   42    HD1  HIS   6           1HD      HIS   6 -37.049  17.926   5.961
   43    HD2  HIS   6           2HD      HIS   6 -37.308  16.683   1.963
   44    HE1  HIS   6           1HE      HIS   6 -39.195  16.558   5.775
   45    HE2  HIS   6           2HE      HIS   6 -39.328  15.868   3.284
   46    H    LEU   7           H        LEU   7 -32.583  18.165   2.450
   47    HA   LEU   7           HA       LEU   7 -32.645  15.731   1.121
   48   1HB   LEU   7          1HB       LEU   7 -31.620  18.192   0.657
   49   2HB   LEU   7          2HB       LEU   7 -30.148  17.310   1.016
   50    HG   LEU   7           HG       LEU   7 -32.111  16.220  -0.988
   51   1HD1  LEU   7          1HD1      LEU   7 -29.946  18.247  -1.613
   52   2HD1  LEU   7          2HD1      LEU   7 -31.001  17.415  -2.782
   53   3HD1  LEU   7          3HD1      LEU   7 -31.697  18.567  -1.618
   54   1HD2  LEU   7          1HD2      LEU   7 -29.106  15.969  -0.682
   55   2HD2  LEU   7          2HD2      LEU   7 -30.321  14.746  -0.243
   56   3HD2  LEU   7          3HD2      LEU   7 -30.094  15.202  -1.948
   57    H    CYS   8           H        CYS   8 -29.916  17.004   3.163
   58    HA   CYS   8           HA       CYS   8 -28.529  14.667   3.307
   59   1HB   CYS   8          1HB       CYS   8 -28.663  17.146   4.925
   60   2HB   CYS   8          2HB       CYS   8 -28.001  15.754   5.758
   61    HG   CYS   8           HG       CYS   8 -25.863  16.577   4.930
   62    H    ALA   9           H        ALA   9 -31.575  15.605   4.807
   63    HA   ALA   9           HA       ALA   9 -31.530  13.814   6.977
   64   1HB   ALA   9          1HB       ALA   9 -34.196  14.285   5.989
   65   2HB   ALA   9          2HB       ALA   9 -33.398  14.978   7.422
   66   3HB   ALA   9          3HB       ALA   9 -33.250  15.786   5.843
   67    H    ILE  10           H        ILE  10 -32.455  13.547   3.523
   68    HA   ILE  10           HA       ILE  10 -33.553  10.924   3.891
   69    HB   ILE  10           HB       ILE  10 -32.908  12.556   1.435
   70   1HG1  ILE  10          1HG1      ILE  10 -35.632  11.922   2.578
   71   2HG1  ILE  10          2HG1      ILE  10 -34.720  13.329   3.089
   72   1HG2  ILE  10          1HG2      ILE  10 -33.617  10.901   0.076
   73   2HG2  ILE  10          2HG2      ILE  10 -33.070   9.863   1.415
   74   3HG2  ILE  10          3HG2      ILE  10 -34.793  10.278   1.258
   75   1HD1  ILE  10          1HD1      ILE  10 -36.242  12.924   0.638
   76   2HD1  ILE  10          2HD1      ILE  10 -35.530  14.424   1.280
   77   3HD1  ILE  10          3HD1      ILE  10 -34.555  13.342   0.256
   78    H    SER  11           H        SER  11 -30.571  12.344   2.393
   79    HA   SER  11           HA       SER  11 -29.513   9.764   1.916
   80   1HB   SER  11          1HB       SER  11 -28.969  11.772   0.526
   81   2HB   SER  11          2HB       SER  11 -28.146  12.493   1.895
   82    HG   SER  11           HG       SER  11 -27.340  10.349   0.218
   83    H    LEU  12           H        LEU  12 -30.003   9.208   4.353
   84    HA   LEU  12           HA       LEU  12 -27.499   9.154   5.687
   85   1HB   LEU  12          1HB       LEU  12 -29.321  11.307   6.318
   86   2HB   LEU  12          2HB       LEU  12 -29.088  10.269   7.710
   87    HG   LEU  12           HG       LEU  12 -26.893  11.637   6.129
   88   1HD1  LEU  12          1HD1      LEU  12 -27.361  13.422   7.364
   89   2HD1  LEU  12          2HD1      LEU  12 -28.570  12.524   8.314
   90   3HD1  LEU  12          3HD1      LEU  12 -26.856  12.493   8.796
   91   1HD2  LEU  12          1HD2      LEU  12 -25.689  10.850   8.411
   92   2HD2  LEU  12          2HD2      LEU  12 -26.844   9.513   8.195
   93   3HD2  LEU  12          3HD2      LEU  12 -25.679   9.900   6.906
   94    H    ASP  13           H        ASP  13 -31.090   8.953   6.203
   95    HA   ASP  13           HA       ASP  13 -30.792   6.747   7.925
   96   1HB   ASP  13          1HB       ASP  13 -32.805   8.550   7.333
   97   2HB   ASP  13          2HB       ASP  13 -33.392   7.118   6.511
   98    H    ARG  14           H        ARG  14 -31.575   7.300   4.449
   99    HA   ARG  14           HA       ARG  14 -32.525   4.906   3.720
  100   1HB   ARG  14          1HB       ARG  14 -31.997   7.039   2.306
  101   2HB   ARG  14          2HB       ARG  14 -30.406   6.345   2.065
  102   1HG   ARG  14          1HG       ARG  14 -32.516   4.360   1.571
  103   2HG   ARG  14          2HG       ARG  14 -32.739   5.782   0.571
  104   1HD   ARG  14          1HD       ARG  14 -30.377   5.603  -0.227
  105   2HD   ARG  14          2HD       ARG  14 -30.131   4.199   0.792
  106    HE   ARG  14           HE       ARG  14 -32.330   3.459  -0.687
  107   1HH1  ARG  14          1HH1      ARG  14 -30.931   2.623  -3.772
  108   2HH1  ARG  14          2HH1      ARG  14 -32.290   2.415  -2.719
  109   1HH2  ARG  14          1HH2      ARG  14 -29.151   3.961  -3.119
  110   2HH2  ARG  14          2HH2      ARG  14 -29.182   4.752  -1.578
  111    H    TYR  15           H        TYR  15 -29.225   5.746   4.704
  112    HA   TYR  15           HA       TYR  15 -28.038   3.368   3.627
  113   1HB   TYR  15          1HB       TYR  15 -27.275   5.559   5.652
  114   2HB   TYR  15          2HB       TYR  15 -26.151   4.298   5.185
  115    HD1  TYR  15           1HD      TYR  15 -27.806   7.394   4.151
  116    HD2  TYR  15           2HD      TYR  15 -25.202   4.237   2.903
  117    HE1  TYR  15           1HE      TYR  15 -27.056   8.789   2.162
  118    HE2  TYR  15           2HE      TYR  15 -24.461   5.643   0.918
  119    HH   TYR  15           HH       TYR  15 -24.444   8.431   0.594
  120    H    TRP  16           H        TRP  16 -29.525   4.414   6.694
  121    HA   TRP  16           HA       TRP  16 -28.487   2.698   8.499
  122   1HB   TRP  16          1HB       TRP  16 -30.147   4.359   9.048
  123   2HB   TRP  16          2HB       TRP  16 -31.372   3.512   8.124
  124    HD1  TRP  16           HD       TRP  16 -32.997   2.329   9.779
  125    HE1  TRP  16           1HE      TRP  16 -32.895   0.999  12.056
  126    HE3  TRP  16           3HE      TRP  16 -27.976   2.795  10.430
  127    HZ2  TRP  16           2HZ      TRP  16 -30.773   0.307  13.834
  128    HZ3  TRP  16           3HZ      TRP  16 -26.968   1.764  12.464
  129    HH2  TRP  16           HH       TRP  16 -28.281   0.553  14.133
  130    H    SER  17           H        SER  17 -31.476   1.964   6.547
  131    HA   SER  17           HA       SER  17 -31.642  -0.653   7.173
  132   1HB   SER  17          1HB       SER  17 -32.450   0.981   4.779
  133   2HB   SER  17          2HB       SER  17 -32.586  -0.761   4.650
  134    HG   SER  17           HG       SER  17 -33.692   0.718   6.874
  135    H    ILE  18           H        ILE  18 -30.000   0.751   4.237
  136    HA   ILE  18           HA       ILE  18 -29.042  -1.489   3.098
  137    HB   ILE  18           HB       ILE  18 -27.743   1.209   3.436
  138   1HG1  ILE  18          1HG1      ILE  18 -29.812   1.377   2.269
  139   2HG1  ILE  18          2HG1      ILE  18 -28.530   1.493   1.079
  140   1HG2  ILE  18          1HG2      ILE  18 -26.945  -0.923   1.441
  141   2HG2  ILE  18          2HG2      ILE  18 -26.194   0.670   1.701
  142   3HG2  ILE  18          3HG2      ILE  18 -26.065  -0.589   2.952
  143   1HD1  ILE  18          1HD1      ILE  18 -28.815  -1.055   0.730
  144   2HD1  ILE  18          2HD1      ILE  18 -30.321  -0.895   1.666
  145   3HD1  ILE  18          3HD1      ILE  18 -30.128  -0.012   0.132
  146    H    THR  19           H        THR  19 -27.249   0.406   5.635
  147    HA   THR  19           HA       THR  19 -25.122  -1.230   5.985
  148    HB   THR  19           HB       THR  19 -26.813   0.414   7.920
  149    HG1  THR  19           1HG      THR  19 -25.421   1.891   7.034
  150   1HG2  THR  19          1HG2      THR  19 -25.200   0.159   9.629
  151   2HG2  THR  19          2HG2      THR  19 -25.311  -1.505   9.007
  152   3HG2  THR  19          3HG2      THR  19 -23.966  -0.454   8.502
  153    H    GLN  20           H        GLN  20 -28.259  -1.591   7.778
  154    HA   GLN  20           HA       GLN  20 -27.606  -3.813   9.154
  155   1HB   GLN  20          1HB       GLN  20 -29.919  -2.337   8.686
  156   2HB   GLN  20          2HB       GLN  20 -30.350  -3.912   8.049
  157   1HG   GLN  20          1HG       GLN  20 -29.864  -5.005  10.157
  158   2HG   GLN  20          2HG       GLN  20 -29.069  -3.579  10.794
  159   1HE2  GLN  20          1HE2      GLN  20 -32.143  -4.917   9.712
  160   2HE2  GLN  20          2HE2      GLN  20 -33.187  -3.896  10.645
  161    H    ALA  21           H        ALA  21 -29.199  -3.731   5.882
  162    HA   ALA  21           HA       ALA  21 -28.340  -6.517   5.541
  163   1HB   ALA  21          1HB       ALA  21 -30.100  -6.506   3.729
  164   2HB   ALA  21          2HB       ALA  21 -30.735  -6.245   5.371
  165   3HB   ALA  21          3HB       ALA  21 -30.552  -4.868   4.259
  166    H    ILE  22           H        ILE  22 -26.140  -5.244   5.273
  167    HA   ILE  22           HA       ILE  22 -25.858  -3.873   2.782
  168    HB   ILE  22           HB       ILE  22 -24.556  -3.714   5.085
  169   1HG1  ILE  22          1HG1      ILE  22 -22.930  -3.322   2.587
  170   2HG1  ILE  22          2HG1      ILE  22 -24.402  -2.399   2.816
  171   1HG2  ILE  22          1HG2      ILE  22 -22.657  -5.443   3.495
  172   2HG2  ILE  22          2HG2      ILE  22 -22.496  -4.853   5.167
  173   3HG2  ILE  22          3HG2      ILE  22 -23.711  -6.094   4.774
  174   1HD1  ILE  22          1HD1      ILE  22 -21.827  -2.286   4.350
  175   2HD1  ILE  22          2HD1      ILE  22 -22.932  -0.970   3.885
  176   3HD1  ILE  22          3HD1      ILE  22 -23.328  -2.017   5.269
  177    H    GLU  23           H        GLU  23 -25.204  -7.163   4.076
  178    HA   GLU  23           HA       GLU  23 -23.759  -8.096   1.941
  179   1HB   GLU  23          1HB       GLU  23 -25.048  -9.169   4.284
  180   2HB   GLU  23          2HB       GLU  23 -25.443 -10.210   2.931
  181   1HG   GLU  23          1HG       GLU  23 -22.819  -9.925   2.397
  182   2HG   GLU  23          2HG       GLU  23 -22.741  -9.571   4.112
  183    H    TYR  24           H        TYR  24 -27.167  -7.312   2.219
  184    HA   TYR  24           HA       TYR  24 -28.274  -9.001   0.330
  185   1HB   TYR  24          1HB       TYR  24 -29.419  -7.362   1.906
  186   2HB   TYR  24          2HB       TYR  24 -28.743  -6.026   0.995
  187    HD1  TYR  24           1HD      TYR  24 -29.998  -5.049  -0.715
  188    HD2  TYR  24           2HD      TYR  24 -30.942  -9.028   0.543
  189    HE1  TYR  24           1HE      TYR  24 -32.047  -5.046  -2.219
  190    HE2  TYR  24           2HE      TYR  24 -32.988  -9.011  -0.966
  191    HH   TYR  24           HH       TYR  24 -34.517  -6.944  -1.901
  192    H    ASN  25           H        ASN  25 -26.421  -5.946  -0.063
  193    HA   ASN  25           HA       ASN  25 -26.253  -6.603  -2.878
  194   1HB   ASN  25          1HB       ASN  25 -27.619  -4.269  -1.726
  195   2HB   ASN  25          2HB       ASN  25 -26.292  -3.756  -2.749
  196   1HD2  ASN  25          1HD2      ASN  25 -29.446  -5.005  -2.589
  197   2HD2  ASN  25          2HD2      ASN  25 -29.745  -5.256  -4.277
  198    H    LEU  26           H        LEU  26 -24.049  -7.301  -2.212
  199    HA   LEU  26           HA       LEU  26 -22.301  -5.012  -1.631
  200   1HB   LEU  26          1HB       LEU  26 -22.194  -6.188   0.334
  201   2HB   LEU  26          2HB       LEU  26 -22.422  -7.743  -0.441
  202    HG   LEU  26           HG       LEU  26 -20.096  -7.546  -1.379
  203   1HD1  LEU  26          1HD1      LEU  26 -18.864  -5.710  -1.173
  204   2HD1  LEU  26          2HD1      LEU  26 -20.310  -4.891  -0.535
  205   3HD1  LEU  26          3HD1      LEU  26 -19.144  -5.638   0.583
  206   1HD2  LEU  26          1HD2      LEU  26 -20.062  -9.006   0.355
  207   2HD2  LEU  26          2HD2      LEU  26 -19.064  -7.725   1.084
  208   3HD2  LEU  26          3HD2      LEU  26 -20.791  -7.851   1.496
  209    H    LYS  27           H        LYS  27 -22.089  -8.455  -2.788
  210    HA   LYS  27           HA       LYS  27 -20.462  -7.415  -5.003
  211   1HB   LYS  27          1HB       LYS  27 -19.921  -9.471  -3.043
  212   2HB   LYS  27          2HB       LYS  27 -19.935 -10.169  -4.650
  213   1HG   LYS  27          1HG       LYS  27 -18.521  -7.544  -4.412
  214   2HG   LYS  27          2HG       LYS  27 -17.770  -8.878  -3.559
  215   1HD   LYS  27          1HD       LYS  27 -18.688  -9.399  -6.378
  216   2HD   LYS  27          2HD       LYS  27 -17.285  -8.370  -6.174
  217   1HE   LYS  27          1HE       LYS  27 -16.164 -10.132  -4.817
  218   2HE   LYS  27          2HE       LYS  27 -17.579 -11.157  -4.953
  219   1HZ   LYS  27          1HZ       LYS  27 -15.539 -11.182  -6.651
  220   2HZ   LYS  27          2HZ       LYS  27 -17.039 -11.709  -7.024
  221   3HZ   LYS  27          3HZ       LYS  27 -16.572 -10.205  -7.455
  222    H    ARG  28           H        ARG  28 -22.587  -7.002  -6.064
  223    HA   ARG  28           HA       ARG  28 -23.379  -9.433  -7.402
  224   1HB   ARG  28          1HB       ARG  28 -25.011  -8.901  -5.479
  225   2HB   ARG  28          2HB       ARG  28 -25.444  -7.441  -6.346
  226   1HG   ARG  28          1HG       ARG  28 -25.515  -9.772  -8.128
  227   2HG   ARG  28          2HG       ARG  28 -26.533 -10.029  -6.725
  228   1HD   ARG  28          1HD       ARG  28 -27.127  -7.386  -7.426
  229   2HD   ARG  28          2HD       ARG  28 -26.892  -8.149  -8.986
  230    HE   ARG  28           HE       ARG  28 -28.583  -9.684  -7.128
  231   1HH1  ARG  28          1HH1      ARG  28 -31.451  -9.080  -9.022
  232   2HH1  ARG  28          2HH1      ARG  28 -30.765 -10.004  -7.728
  233   1HH2  ARG  28          1HH2      ARG  28 -30.154  -7.518 -10.148
  234   2HH2  ARG  28          2HH2      ARG  28 -28.501  -7.276  -9.693
  235    H    THR  29           H        THR  29 -23.063  -9.001  -9.563
  236    HA   THR  29           HA       THR  29 -24.028  -6.453 -10.605
  237    HB   THR  29           HB       THR  29 -21.830  -6.125 -11.792
  238    HG1  THR  29           1HG      THR  29 -20.112  -7.582 -10.711
  239   1HG2  THR  29          1HG2      THR  29 -21.483  -6.506  -8.771
  240   2HG2  THR  29          2HG2      THR  29 -20.430  -5.536  -9.828
  241   3HG2  THR  29          3HG2      THR  29 -22.112  -5.029  -9.539
  242    HA   PRO  30           HA       PRO  30 -25.255  -8.918 -13.893
  243   1HB   PRO  30          1HB       PRO  30 -25.315  -7.151 -15.977
  244   2HB   PRO  30          2HB       PRO  30 -26.577  -7.246 -14.765
  245   1HG   PRO  30          1HG       PRO  30 -24.454  -5.212 -15.076
  246   2HG   PRO  30          2HG       PRO  30 -25.948  -5.110 -14.165
  247   1HD   PRO  30          1HD       PRO  30 -23.317  -5.537 -13.105
  248   2HD   PRO  30          2HD       PRO  30 -24.822  -5.550 -12.209
  249    H    ARG  31           H        ARG  31 -24.812  -9.565 -16.298
  250    HA   ARG  31           HA       ARG  31 -21.905  -9.699 -16.430
  251   1HB   ARG  31          1HB       ARG  31 -24.045 -11.779 -16.869
  252   2HB   ARG  31          2HB       ARG  31 -22.622 -11.874 -17.887
  253   1HG   ARG  31          1HG       ARG  31 -21.391 -11.515 -15.487
  254   2HG   ARG  31          2HG       ARG  31 -22.868 -12.270 -14.920
  255   1HD   ARG  31          1HD       ARG  31 -21.527 -13.555 -17.285
  256   2HD   ARG  31          2HD       ARG  31 -20.707 -13.702 -15.743
  257    HE   ARG  31           HE       ARG  31 -23.234 -14.967 -16.502
  258   1HH1  ARG  31          1HH1      ARG  31 -23.684 -16.408 -13.356
  259   2HH1  ARG  31          2HH1      ARG  31 -24.205 -16.397 -15.007
  260   1HH2  ARG  31          1HH2      ARG  31 -22.000 -14.969 -12.660
  261   2HH2  ARG  31          2HH2      ARG  31 -21.264 -13.885 -13.794
  262    H    ARG  32           H        ARG  32 -21.119  -8.543 -18.162
  263    HA   ARG  32           HA       ARG  32 -22.960  -7.966 -20.297
  264   1HB   ARG  32          1HB       ARG  32 -21.630  -6.108 -19.310
  265   2HB   ARG  32          2HB       ARG  32 -20.138  -6.935 -19.712
  266   1HG   ARG  32          1HG       ARG  32 -21.320  -6.905 -22.181
  267   2HG   ARG  32          2HG       ARG  32 -22.033  -5.457 -21.500
  268   1HD   ARG  32          1HD       ARG  32 -19.986  -4.769 -22.587
  269   2HD   ARG  32          2HD       ARG  32 -19.685  -4.684 -20.863
  270    HE   ARG  32           HE       ARG  32 -18.975  -7.264 -22.094
  271   1HH1  ARG  32          1HH1      ARG  32 -15.560  -6.684 -21.666
  272   2HH1  ARG  32          2HH1      ARG  32 -16.769  -7.859 -22.065
  273   1HH2  ARG  32          1HH2      ARG  32 -16.181  -4.506 -21.160
  274   2HH2  ARG  32          2HH2      ARG  32 -17.853  -4.055 -21.182