*HEADER    NEUROPEPTIDE                            03-JUL-00   1F8P              
*TITLE     PORCINE NEUROPEPTIDE Y BOUND TO DPC MICELLES                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROPEPTIDE Y (PNPY);                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                                
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: OCCURS IN NERVOUS SYSTEM OF PIGS                      
*KEYWDS    HELIX, NEUROPEPTIDE                                                   
*EXPDTA    NMR, 17 STRUCTURES                                                    
*AUTHOR    R.BADER, A.G.BECK-SICKINGER, O.ZERBE                                  
*REVDAT   1   03-JAN-01 1F8P    0                                                
  3 SER  HB2     4 LYS+ HN      5.50                
  3 SER  HB3     4 LYS+ HN      5.50                
  7 ASN  HN      8 PRO  QD      6.38                
  7 ASN  HA      8 PRO  QD      3.55                
  8 PRO  QD      9 GLY  HN      5.59                
 10 GLU- HN     10 GLU- QB      3.79                
 10 GLU- HN     10 GLU- QG      6.38                
 10 GLU- HN     11 ASP- HN      4.11                
 10 GLU- HA     11 ASP- HN      2.96                
 11 ASP- HN     11 ASP- HB2     4.07                
 11 ASP- HN     11 ASP- HB3     4.07                
 11 ASP- HN     11 ASP- QB      3.69                
 11 ASP- HN     12 ALA  HN      3.27                
 11 ASP- HN     12 ALA  QB      6.53                
 12 ALA  HN     13 PRO  HD2     5.50                
 12 ALA  HN     13 PRO  HD3     5.50                
 12 ALA  HN     13 PRO  QD      5.31                
 12 ALA  HA     13 PRO  HD2     3.02                
 12 ALA  HA     13 PRO  HD3     3.02                
 12 ALA  HA     13 PRO  QD      2.81                
 12 ALA  QB     14 ALA  HN      6.53                
 12 ALA  QB     15 GLU- QG      7.40                
 13 PRO  HA     14 ALA  HN      2.68                
 13 PRO  HB2    14 ALA  HN      4.01                
 13 PRO  HB3    14 ALA  HN      4.01                
 13 PRO  QB     14 ALA  HN      3.67                
 13 PRO  QB     14 ALA  HA      5.26                
 13 PRO  QD     14 ALA  HN      5.59                
 14 ALA  HA     17 LEU  QB      4.21                
 14 ALA  HA     17 LEU  QD1     6.31                
 14 ALA  HA     17 LEU  QD2     6.31                
 14 ALA  HA     17 LEU  QQD     6.02                
 14 ALA  QB     15 GLU- QG      7.40                
 15 GLU- HN     15 GLU- HA      2.62                
 15 GLU- HN     15 GLU- HB2     3.27                
 15 GLU- HN     15 GLU- HB3     3.27                
 15 GLU- HN     15 GLU- QB      2.93                
 15 GLU- HN     15 GLU- QG      5.54                
 15 GLU- HN     16 ASP- HN      2.93                
 15 GLU- HN     18 ALA  QB      6.53                
 15 GLU- HA     15 GLU- HB2     3.05                
 15 GLU- HA     15 GLU- HB3     3.05                
 15 GLU- HA     18 ALA  HN      3.92                
 15 GLU- HA     18 ALA  QB      4.88                
 15 GLU- HB2    16 ASP- HN      3.95                
 15 GLU- HB3    16 ASP- HN      3.95                
 15 GLU- QB     16 ASP- HN      3.58                
 15 GLU- QG     16 ASP- HN      6.38                
 16 ASP- HN     16 ASP- HB2     3.14                
 16 ASP- HN     16 ASP- HB3     3.14                
 16 ASP- HN     17 LEU  HN      3.02                
 16 ASP- HA     16 ASP- HB2     3.05                
 16 ASP- HA     16 ASP- HB3     3.05                
 16 ASP- HA     18 ALA  HN      4.14                
 16 ASP- HA     19 ARG+ HN      3.95                
 16 ASP- HA     19 ARG+ HB2     3.83                
 16 ASP- HA     19 ARG+ HB3     3.83                
 16 ASP- HA     19 ARG+ QB      3.65                
 16 ASP- HB2    17 LEU  HN      3.70                
 16 ASP- HB3    17 LEU  HN      3.70                
 16 ASP- QB     17 LEU  HN      3.47                
 17 LEU  HN     17 LEU  HA      2.90                
 17 LEU  HN     17 LEU  QB      3.31                
 17 LEU  HN     17 LEU  HG      3.48                
 17 LEU  HN     17 LEU  QD1     5.94                
 17 LEU  HN     17 LEU  QD2     5.94                
 17 LEU  HN     17 LEU  QQD     5.54                
 17 LEU  HN     18 ALA  HN      2.90                
 17 LEU  HA     17 LEU  HG      3.73                
 17 LEU  HA     17 LEU  QD1     5.10                
 17 LEU  HA     17 LEU  QD2     5.10                
 17 LEU  HA     17 LEU  QQD     4.31                
 17 LEU  HA     20 TYR  HN      3.30                
 17 LEU  HA     20 TYR  QB      4.14                
 17 LEU  HA     20 TYR  QD      5.84                
 17 LEU  HA     20 TYR  QE      7.26                
 17 LEU  QB     18 ALA  HN      4.05                
 17 LEU  QB     20 TYR  QD      8.52                
 17 LEU  HG     18 ALA  HN      4.01                
 17 LEU  QD1    20 TYR  QD      8.67                
 17 LEU  QD1    20 TYR  QE      8.66                
 17 LEU  QD1    21 TYR  QE      8.66                
 17 LEU  QD2    20 TYR  QD      8.67                
 17 LEU  QD2    20 TYR  QE      8.66                
 17 LEU  QD2    21 TYR  QE      8.66                
 17 LEU  QQD    18 ALA  HN      8.10                
 17 LEU  QQD    20 TYR  QD      8.17                
 17 LEU  QQD    20 TYR  QE      8.39                
 18 ALA  HN     18 ALA  HA      2.93                
 18 ALA  HN     18 ALA  QB      3.58                
 18 ALA  HA     21 TYR  HN      3.30                
 18 ALA  HA     21 TYR  QB      3.99                
 18 ALA  HA     21 TYR  QD      6.59                
 18 ALA  HA     21 TYR  QE      7.63                
 18 ALA  QB     19 ARG+ HN      4.39                
 18 ALA  QB     19 ARG+ HA      5.47                
 18 ALA  QB     21 TYR  QB      7.40                
 18 ALA  QB     21 TYR  QD      8.67                
 18 ALA  QB     21 TYR  QE      8.66                
 19 ARG+ HN     19 ARG+ HB2     3.17                
 19 ARG+ HN     19 ARG+ HB3     3.17                
 19 ARG+ HN     19 ARG+ QB      2.83                
 19 ARG+ HN     19 ARG+ HG2     5.19                
 19 ARG+ HN     19 ARG+ HG3     5.19                
 19 ARG+ HN     19 ARG+ QG      5.02                
 19 ARG+ HN     21 TYR  HN      3.61                
 19 ARG+ HA     19 ARG+ HB2     2.96                
 19 ARG+ HA     19 ARG+ HB3     2.96                
 19 ARG+ HA     19 ARG+ HD2     5.50                
 19 ARG+ HA     19 ARG+ HD3     5.50                
 19 ARG+ HA     22 SER  HN      3.67                
 19 ARG+ HB2    20 TYR  HN      3.73                
 19 ARG+ HB3    20 TYR  HN      3.73                
 20 TYR  HN     20 TYR  QB      3.77                
 20 TYR  HN     21 TYR  HN      2.93                
 20 TYR  HA     21 TYR  HN      3.36                
 20 TYR  HA     23 ALA  HN      4.01                
 20 TYR  HA     23 ALA  QB      4.42                
 20 TYR  HA     24 LEU  QQD     8.10                
 20 TYR  QB     21 TYR  HN      4.33                
 20 TYR  QB     21 TYR  QD      8.52                
 20 TYR  QB     24 LEU  QD1     7.40                
 20 TYR  QB     24 LEU  QD2     7.40                
 20 TYR  QD     21 TYR  HN      7.64                
 20 TYR  QD     23 ALA  QB      8.45                
 20 TYR  QE     23 ALA  QB      8.66                
 21 TYR  HN     21 TYR  QB      3.71                
 21 TYR  HN     23 ALA  HN      4.29                
 21 TYR  HA     24 LEU  HN      4.14                
 21 TYR  HA     24 LEU  QB      4.52                
 21 TYR  HA     24 LEU  HG      4.11                
 21 TYR  HA     24 LEU  QD1     5.66                
 21 TYR  HA     24 LEU  QD2     5.66                
 21 TYR  QB     22 SER  HN      4.39                
 21 TYR  QD     22 SER  HN      7.64                
 21 TYR  QD     22 SER  HA      7.64                
 21 TYR  QD     24 LEU  QB      8.52                
 21 TYR  QD     24 LEU  HG      7.64                
 21 TYR  QD     24 LEU  QD1     8.67                
 21 TYR  QD     24 LEU  QD2     8.67                
 21 TYR  QD     24 LEU  QQD     8.46                
 21 TYR  QD     25 ARG+ QB      8.52                
 21 TYR  QD     25 ARG+ QD      8.52                
 21 TYR  QE     22 SER  HA      7.63                
 21 TYR  QE     24 LEU  HG      7.63                
 21 TYR  QE     24 LEU  QD1     8.66                
 21 TYR  QE     24 LEU  QD2     8.66                
 21 TYR  QE     25 ARG+ QD      8.51                
 22 SER  HN     22 SER  HA      2.62                
 22 SER  HN     23 ALA  HN      2.93                
 22 SER  HA     23 ALA  QB      6.34                
 22 SER  HA     25 ARG+ HN      3.36                
 22 SER  HA     25 ARG+ HB2     3.58                
 22 SER  HA     25 ARG+ HB3     3.58                
 22 SER  HA     25 ARG+ HG2     5.50                
 22 SER  HA     25 ARG+ HG3     5.50                
 22 SER  HA     25 ARG+ QD      6.38                
 23 ALA  HN     23 ALA  QB      3.55                
 23 ALA  HN     24 LEU  HN      2.80                
 23 ALA  HN     25 ARG+ HN      3.86                
 23 ALA  HA     26 HIS  HN      3.61                
 23 ALA  HA     26 HIS  HB2     3.36                
 23 ALA  HA     26 HIS  HB3     3.36                
 23 ALA  HA     26 HIS  QB      3.15                
 23 ALA  HA     26 HIS  HD2     5.50                
 23 ALA  HA     27 TYR  QD      7.64                
 23 ALA  HA     27 TYR  QE      7.63                
 23 ALA  QB     24 LEU  HN      4.08                
 23 ALA  QB     26 HIS  HB2     6.53                
 23 ALA  QB     26 HIS  HB3     6.53                
 23 ALA  QB     26 HIS  HD2     6.53                
 23 ALA  QB     27 TYR  QD      8.39                
 23 ALA  QB     27 TYR  QE      8.04                
 24 LEU  HN     24 LEU  HA      2.93                
 24 LEU  HN     24 LEU  HG      4.01                
 24 LEU  HN     24 LEU  QD1     6.53                
 24 LEU  HN     24 LEU  QD2     6.53                
 24 LEU  HA     24 LEU  HG      3.11                
 24 LEU  HA     24 LEU  QD1     4.57                
 24 LEU  HA     24 LEU  QD2     4.57                
 24 LEU  HA     24 LEU  QQD     4.02                
 24 LEU  HA     25 ARG+ HN      3.61                
 24 LEU  HA     27 TYR  QB      4.39                
 24 LEU  QB     25 ARG+ HN      5.20                
 24 LEU  HG     25 ARG+ HN      5.13                
 24 LEU  QD1    25 ARG+ HN      6.53                
 24 LEU  QD1    25 ARG+ HA      6.53                
 24 LEU  QD1    27 TYR  QB      7.40                
 24 LEU  QD1    27 TYR  QD      8.67                
 24 LEU  QD2    25 ARG+ HN      6.53                
 24 LEU  QD2    25 ARG+ HA      6.53                
 24 LEU  QD2    27 TYR  QB      7.40                
 24 LEU  QD2    27 TYR  QD      8.67                
 24 LEU  QQD    28 ILE  HA      8.10                
 25 ARG+ HN     25 ARG+ HB2     2.80                
 25 ARG+ HN     25 ARG+ HB3     2.80                
 25 ARG+ HN     25 ARG+ HG2     5.50                
 25 ARG+ HN     25 ARG+ HG3     5.50                
 25 ARG+ HN     25 ARG+ QG      5.04                
 25 ARG+ HN     25 ARG+ QD      6.38                
 25 ARG+ HN     26 HIS  HN      3.14                
 25 ARG+ HA     25 ARG+ HG2     3.79                
 25 ARG+ HA     25 ARG+ HG3     3.79                
 25 ARG+ HA     25 ARG+ QD      5.66                
 25 ARG+ HA     28 ILE  HN      3.83                
 25 ARG+ HA     28 ILE  HB      2.80                
 25 ARG+ HA     28 ILE  QG2     5.50                
 25 ARG+ HA     28 ILE  HG12    5.50                
 25 ARG+ HA     28 ILE  HG13    5.50                
 25 ARG+ HA     28 ILE  QG1     4.83                
 25 ARG+ HA     28 ILE  QD1     4.95                
 26 HIS  HN     26 HIS  HB2     3.05                
 26 HIS  HN     26 HIS  HB3     3.05                
 26 HIS  HN     27 TYR  HN      2.99                
 26 HIS  HA     26 HIS  HD2     5.50                
 26 HIS  HA     29 ASN  HN      5.07                
 26 HIS  HA     29 ASN  HB2     3.52                
 26 HIS  HA     29 ASN  HB3     3.52                
 26 HIS  HA     29 ASN  QB      3.28                
 26 HIS  HB2    27 TYR  HN      3.61                
 26 HIS  HB3    27 TYR  HN      3.61                
 26 HIS  QB     27 TYR  HN      3.34                
 26 HIS  HD2    27 TYR  HN      5.50                
 26 HIS  HD2    27 TYR  HA      5.00                
 26 HIS  HD2    27 TYR  QD      7.64                
 26 HIS  HD2    27 TYR  QE      7.63                
 26 HIS  HD2    30 LEU  HG      5.50                
 26 HIS  HD2    30 LEU  QQD     7.42                
 27 TYR  HN     27 TYR  HA      2.80                
 27 TYR  HN     27 TYR  QB      3.87                
 27 TYR  HN     28 ILE  HN      2.93                
 27 TYR  HA     29 ASN  HN      4.11                
 27 TYR  HA     30 LEU  HN      3.67                
 27 TYR  HA     30 LEU  QB      4.80                
 27 TYR  HA     30 LEU  HG      3.98                
 27 TYR  HA     30 LEU  QQD     6.36                
 27 TYR  HA     31 ILE  HB      3.70                
 27 TYR  QB     30 LEU  QB      7.25                
 27 TYR  QB     30 LEU  HG      6.38                
 27 TYR  QB     31 ILE  HB      6.38                
 27 TYR  QB     31 ILE  QG2     7.40                
 27 TYR  QB     31 ILE  QD1     7.40                
 27 TYR  QD     30 LEU  QB      8.52                
 27 TYR  QD     30 LEU  HG      7.64                
 27 TYR  QD     30 LEU  QQD     9.03                
 27 TYR  QD     31 ILE  QG2     8.67                
 27 TYR  QD     31 ILE  QD1     8.67                
 27 TYR  QE     30 LEU  QQD     9.76                
 27 TYR  QE     31 ILE  QG2     8.66                
 27 TYR  QE     31 ILE  QD1     8.66                
 28 ILE  HN     28 ILE  HB      2.74                
 28 ILE  HN     28 ILE  HG12    4.17                
 28 ILE  HN     28 ILE  HG13    4.17                
 28 ILE  HN     28 ILE  QG1     3.71                
 28 ILE  HN     28 ILE  QD1     6.09                
 28 ILE  HN     29 ASN  HN      2.99                
 28 ILE  HA     28 ILE  HB      2.93                
 28 ILE  HA     28 ILE  HG12    3.70                
 28 ILE  HA     28 ILE  HG13    3.70                
 28 ILE  HA     31 ILE  HN      4.14                
 28 ILE  HA     31 ILE  QG1     5.97                
 28 ILE  HA     32 THR  QG2     6.06                
 28 ILE  HB     29 ASN  HN      3.08                
 28 ILE  QG2    29 ASN  HN      5.54                
 28 ILE  QG2    29 ASN  HA      5.41                
 28 ILE  QG2    32 THR  HB      6.53                
 28 ILE  QD1    29 ASN  HN      6.53                
 29 ASN  HN     29 ASN  HB2     3.14                
 29 ASN  HN     29 ASN  HB3     3.14                
 29 ASN  HN     29 ASN  QB      2.86                
 29 ASN  HN     30 LEU  HN      2.99                
 29 ASN  HA     29 ASN  HB2     2.96                
 29 ASN  HA     29 ASN  HB3     2.96                
 29 ASN  HA     32 THR  HN      4.20                
 29 ASN  HA     32 THR  QG2     5.85                
 29 ASN  HB2    30 LEU  HN      3.70                
 29 ASN  HB3    30 LEU  HN      3.70                
 30 LEU  HN     30 LEU  HG      2.93                
 30 LEU  HN     30 LEU  QQD     7.42                
 30 LEU  HN     31 ILE  HN      2.93                
 30 LEU  HN     32 THR  HN      3.89                
 30 LEU  HA     31 ILE  QG2     6.53                
 30 LEU  HA     33 ARG+ HN      3.64                
 30 LEU  HA     33 ARG+ HB2     3.58                
 30 LEU  HA     33 ARG+ HB3     3.86                
 30 LEU  HA     33 ARG+ QD      5.38                
 30 LEU  HA     34 GLN  HN      4.63                
 30 LEU  QB     31 ILE  HN      5.23                
 30 LEU  HG     31 ILE  HN      4.94                
 30 LEU  HG     31 ILE  HA      5.50                
 30 LEU  QQD    31 ILE  HA      7.63                
 30 LEU  QQD    33 ARG+ QD      8.51                
 31 ILE  HN     31 ILE  HB      2.87                
 31 ILE  HN     31 ILE  HG12    3.98                
 31 ILE  HN     31 ILE  HG13    3.98                
 31 ILE  HN     31 ILE  QD1     5.91                
 31 ILE  HA     31 ILE  HB      2.96                
 31 ILE  HA     31 ILE  HG12    4.04                
 31 ILE  HA     31 ILE  HG13    4.04                
 31 ILE  HA     31 ILE  QG1     3.67                
 31 ILE  HA     32 THR  HN      3.58                
 31 ILE  HA     32 THR  QG2     6.53                
 31 ILE  HA     34 GLN  HN      4.07                
 31 ILE  HA     34 GLN  QB      5.14                
 31 ILE  HA     34 GLN  QG      6.38                
 31 ILE  HA     35 ARG+ HN      4.72                
 31 ILE  HB     32 THR  HN      3.42                
 31 ILE  QG2    32 THR  HN      5.16                
 31 ILE  QG2    32 THR  HB      6.53                
 31 ILE  QG2    35 ARG+ HD2     6.53                
 31 ILE  QG2    35 ARG+ HD3     6.53                
 31 ILE  QG2    35 ARG+ QD      6.36                
 31 ILE  QG2    36 TYR  QD      8.67                
 31 ILE  QG2    36 TYR  QE      8.66                
 31 ILE  QD1    35 ARG+ HD2     6.53                
 31 ILE  QD1    35 ARG+ HD3     6.53                
 32 THR  HN     32 THR  HA      2.83                
 32 THR  HN     32 THR  HB      3.67                
 32 THR  HN     32 THR  QG2     4.54                
 32 THR  HA     36 TYR  QD      7.64                
 32 THR  HB     36 TYR  HN      3.48                
 32 THR  HB     36 TYR  QD      7.64                
 32 THR  QG2    36 TYR  HN      5.88                
 32 THR  QG2    36 TYR  QD      8.67                
 32 THR  QG2    36 TYR  QE      8.66                
 33 ARG+ HN     33 ARG+ HB2     2.74                
 33 ARG+ HN     33 ARG+ HB3     3.27                
 33 ARG+ HA     33 ARG+ HB2     2.65                
 33 ARG+ HA     33 ARG+ QD      5.76                
 33 ARG+ HB2    34 GLN  HN      3.21                
 34 GLN  HN     34 GLN  HA      2.83                
 34 GLN  HN     34 GLN  QG      5.88                
 34 GLN  QB     35 ARG+ HN      4.49                
 35 ARG+ HN     35 ARG+ QB      3.74                
 35 ARG+ HN     35 ARG+ HG2     5.07                
 35 ARG+ HN     35 ARG+ HG3     5.07                
 35 ARG+ HN     35 ARG+ QG      4.77                
 35 ARG+ HA     35 ARG+ HG2     4.26                
 35 ARG+ HA     35 ARG+ HG3     4.26                
 35 ARG+ HA     35 ARG+ QD      6.28                
 35 ARG+ QB     36 TYR  QD      8.52                
 35 ARG+ QB     36 TYR  QE      8.51                
 36 TYR  HN     36 TYR  HB2     3.24                
 36 TYR  HN     36 TYR  HB3     3.24                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TYR   1          HN1       TYR   1 -24.099  -7.891   9.930
    2   2H    TYR   1          HN2       TYR   1 -25.210  -8.450  11.052
    3   3H    TYR   1          HN3       TYR   1 -23.556  -8.636  11.258
    4    HA   TYR   1           HA       TYR   1 -25.037 -10.569  10.486
    5   1HB   TYR   1          HB1       TYR   1 -24.798  -8.708   8.176
    6   2HB   TYR   1          HB2       TYR   1 -24.780 -10.418   7.842
    7    HD1  TYR   1           HD1      TYR   1 -26.862  -7.597   8.837
    8    HD2  TYR   1           HD2      TYR   1 -26.746 -11.892   8.502
    9    HE1  TYR   1           HE1      TYR   1 -29.306  -7.695   8.619
   10    HE2  TYR   1           HE2      TYR   1 -29.198 -11.970   8.586
   11    HH   TYR   1           HH       TYR   1 -31.109 -10.445   8.001
   12    HA   PRO   2           HA       PRO   2 -20.976 -12.200   9.992
   13   1HB   PRO   2          HB1       PRO   2 -21.706 -14.650   8.777
   14   2HB   PRO   2          HB2       PRO   2 -21.783 -14.246  10.536
   15   1HG   PRO   2          HG1       PRO   2 -23.834 -14.620   8.428
   16   2HG   PRO   2          HG2       PRO   2 -23.960 -14.780  10.219
   17   1HD   PRO   2          HD1       PRO   2 -24.710 -12.580   8.547
   18   2HD   PRO   2          HD2       PRO   2 -24.738 -12.681  10.360
   19    H    SER   3           H        SER   3 -22.708 -13.358   7.034
   20    HA   SER   3           HA       SER   3 -20.700 -13.281   5.259
   21   1HB   SER   3          HB1       SER   3 -23.143 -13.895   4.795
   22   2HB   SER   3          HB2       SER   3 -23.458 -12.162   4.599
   23    HG   SER   3           HG       SER   3 -22.922 -12.608   2.617
   24    H    LYS   4           H        LYS   4 -19.578 -11.783   4.008
   25    HA   LYS   4           HA       LYS   4 -20.293  -8.973   4.324
   26   1HB   LYS   4          HB1       LYS   4 -17.961  -8.372   4.925
   27   2HB   LYS   4          HB2       LYS   4 -18.749  -9.345   6.162
   28   1HG   LYS   4          HG1       LYS   4 -17.468 -11.263   5.649
   29   2HG   LYS   4          HG2       LYS   4 -17.081 -10.697   4.013
   30   1HD   LYS   4          HD1       LYS   4 -15.823  -8.710   5.193
   31   2HD   LYS   4          HD2       LYS   4 -15.923  -9.771   6.627
   32   1HE   LYS   4          HE1       LYS   4 -14.973 -11.517   4.715
   33   2HE   LYS   4          HE2       LYS   4 -14.349 -10.011   4.048
   34   1HZ   LYS   4          HZ1       LYS   4 -13.407  -9.713   6.333
   35   2HZ   LYS   4          HZ2       LYS   4 -13.830 -11.285   6.654
   36   3HZ   LYS   4          HZ3       LYS   4 -12.743 -10.965   5.477
   37    HA   PRO   5           HA       PRO   5 -19.153  -8.938   0.118
   38   1HB   PRO   5          HB1       PRO   5 -18.318  -6.265  -0.196
   39   2HB   PRO   5          HB2       PRO   5 -19.997  -6.838  -0.141
   40   1HG   PRO   5          HG1       PRO   5 -18.468  -5.365   1.934
   41   2HG   PRO   5          HG2       PRO   5 -20.239  -5.523   1.734
   42   1HD   PRO   5          HD1       PRO   5 -18.505  -6.910   3.523
   43   2HD   PRO   5          HD2       PRO   5 -20.245  -7.154   3.293
   44    H    ASP   6           H        ASP   6 -17.385  -9.358  -1.168
   45    HA   ASP   6           HA       ASP   6 -14.645  -8.615  -0.251
   46   1HB   ASP   6          HB1       ASP   6 -14.912 -10.827   0.678
   47   2HB   ASP   6          HB2       ASP   6 -15.749 -11.363  -0.823
   48    H    ASN   7           H        ASN   7 -14.259  -7.244  -1.907
   49    HA   ASN   7           HA       ASN   7 -14.090  -8.481  -4.593
   50   1HB   ASN   7          HB1       ASN   7 -16.170  -6.877  -3.904
   51   2HB   ASN   7          HB2       ASN   7 -15.170  -5.761  -4.876
   52   1HD2  ASN   7          HD2       ASN   7 -14.755  -6.179  -7.035
   53   2HD2  ASN   7          HD2       ASN   7 -15.765  -7.374  -7.911
   54    HA   PRO   8           HA       PRO   8 -10.513  -5.827  -3.564
   55   1HB   PRO   8          HB1       PRO   8  -8.608  -7.580  -4.638
   56   2HB   PRO   8          HB2       PRO   8  -9.158  -7.624  -2.939
   57   1HG   PRO   8          HG1       PRO   8  -9.882  -9.387  -5.186
   58   2HG   PRO   8          HG2       PRO   8  -9.930  -9.765  -3.409
   59   1HD   PRO   8          HD1       PRO   8 -12.039  -9.174  -5.236
   60   2HD   PRO   8          HD2       PRO   8 -12.173  -9.299  -3.447
   61    H    GLY   9           H        GLY   9 -10.881  -7.711  -6.594
   62   1HA   GLY   9          HA1       GLY   9 -11.082  -6.851  -8.732
   63   2HA   GLY   9          HA2       GLY   9 -10.910  -5.194  -8.086
   64    H    GLU  10           H        GLU  10  -9.232  -4.374  -9.244
   65    HA   GLU  10           HA       GLU  10  -6.739  -6.050  -9.581
   66   1HB   GLU  10          HB1       GLU  10  -8.239  -4.039 -11.285
   67   2HB   GLU  10          HB2       GLU  10  -6.527  -3.736 -11.220
   68   1HG   GLU  10          HG1       GLU  10  -7.041  -6.611 -11.565
   69   2HG   GLU  10          HG2       GLU  10  -7.612  -5.573 -12.859
   70    H    ASP  11           H        ASP  11  -6.656  -5.525  -7.076
   71    HA   ASP  11           HA       ASP  11  -4.500  -3.615  -6.829
   72   1HB   ASP  11          HB1       ASP  11  -6.194  -1.829  -7.072
   73   2HB   ASP  11          HB2       ASP  11  -7.230  -2.625  -5.869
   74    H    ALA  12           H        ALA  12  -3.714  -5.326  -5.727
   75    HA   ALA  12           HA       ALA  12  -4.938  -6.973  -3.884
   76   1HB   ALA  12          HB1       ALA  12  -2.305  -6.641  -4.744
   77   2HB   ALA  12          HB2       ALA  12  -2.193  -6.275  -3.022
   78   3HB   ALA  12          HB3       ALA  12  -2.846  -7.838  -3.556
   79    HA   PRO  13           HA       PRO  13  -5.845  -4.537  -0.418
   80   1HB   PRO  13          HB1       PRO  13  -5.466  -6.336   1.719
   81   2HB   PRO  13          HB2       PRO  13  -6.855  -6.277   0.637
   82   1HG   PRO  13          HG1       PRO  13  -4.651  -8.283   0.677
   83   2HG   PRO  13          HG2       PRO  13  -6.305  -8.403   0.009
   84   1HD   PRO  13          HD1       PRO  13  -3.838  -7.901  -1.392
   85   2HD   PRO  13          HD2       PRO  13  -5.514  -7.938  -2.046
   86    H    ALA  14           H        ALA  14  -4.813  -3.073   0.778
   87    HA   ALA  14           HA       ALA  14  -3.224  -2.012   2.047
   88   1HB   ALA  14          HB1       ALA  14  -2.274  -3.334   3.538
   89   2HB   ALA  14          HB2       ALA  14  -2.679  -4.773   2.709
   90   3HB   ALA  14          HB3       ALA  14  -1.151  -4.027   2.311
   91    H    GLU  15           H        GLU  15  -3.241  -2.736  -1.049
   92    HA   GLU  15           HA       GLU  15  -0.804  -2.822  -2.088
   93   1HB   GLU  15          HB1       GLU  15  -3.444  -2.006  -2.931
   94   2HB   GLU  15          HB2       GLU  15  -2.438  -0.714  -3.352
   95   1HG   GLU  15          HG1       GLU  15  -1.485  -3.586  -3.995
   96   2HG   GLU  15          HG2       GLU  15  -2.738  -2.824  -4.971
   97    H    ASP  16           H        ASP  16  -2.137  -0.157  -0.299
   98    HA   ASP  16           HA       ASP  16  -0.079   1.726  -1.035
   99   1HB   ASP  16          HB1       ASP  16  -2.550   2.026   0.163
  100   2HB   ASP  16          HB2       ASP  16  -1.585   2.065   1.607
  101    H    LEU  17           H        LEU  17  -0.903  -0.191   1.876
  102    HA   LEU  17           HA       LEU  17   1.329   0.568   3.468
  103   1HB   LEU  17          HB1       LEU  17   0.230  -0.694   4.941
  104   2HB   LEU  17          HB2       LEU  17  -0.812  -1.270   3.595
  105    HG   LEU  17           HG       LEU  17   0.612  -3.129   3.124
  106   1HD1  LEU  17          HD1       LEU  17   2.185  -3.287   5.539
  107   2HD1  LEU  17          HD1       LEU  17   2.717  -3.141   3.861
  108   3HD1  LEU  17          HD1       LEU  17   2.318  -1.680   4.837
  109   1HD2  LEU  17          HD2       LEU  17   0.185  -3.557   6.072
  110   2HD2  LEU  17          HD2       LEU  17  -1.189  -2.868   5.262
  111   3HD2  LEU  17          HD2       LEU  17  -0.469  -4.397   4.657
  112    H    ALA  18           H        ALA  18   0.974  -1.826   0.909
  113    HA   ALA  18           HA       ALA  18   3.511  -3.114   1.293
  114   1HB   ALA  18          HB1       ALA  18   2.467  -4.433  -0.171
  115   2HB   ALA  18          HB2       ALA  18   1.260  -3.210  -0.632
  116   3HB   ALA  18          HB3       ALA  18   2.816  -3.302  -1.469
  117    H    ARG  19           H        ARG  19   2.606  -0.004   0.129
  118    HA   ARG  19           HA       ARG  19   4.826   0.408  -1.631
  119   1HB   ARG  19          HB1       ARG  19   2.458   1.700  -1.323
  120   2HB   ARG  19          HB2       ARG  19   3.442   2.719  -0.272
  121   1HG   ARG  19          HG1       ARG  19   4.178   3.785  -2.093
  122   2HG   ARG  19          HG2       ARG  19   5.032   2.330  -2.601
  123   1HD   ARG  19          HD1       ARG  19   2.050   2.725  -3.177
  124   2HD   ARG  19          HD2       ARG  19   3.326   3.395  -4.202
  125    HE   ARG  19           HE       ARG  19   3.532   0.522  -3.545
  126   1HH1  ARG  19          HH1       ARG  19   2.696  -0.498  -6.824
  127   2HH1  ARG  19          HH1       ARG  19   3.324  -1.009  -5.348
  128   1HH2  ARG  19          HH2       ARG  19   2.010   1.776  -7.119
  129   2HH2  ARG  19          HH2       ARG  19   2.170   2.882  -5.813
  130    H    TYR  20           H        TYR  20   4.002   1.213   1.744
  131    HA   TYR  20           HA       TYR  20   6.421   2.648   2.334
  132   1HB   TYR  20          HB1       TYR  20   4.655   1.085   4.234
  133   2HB   TYR  20          HB2       TYR  20   5.677   2.530   4.543
  134    HD1  TYR  20           HD1      TYR  20   4.817   4.208   2.146
  135    HD2  TYR  20           HD2      TYR  20   2.513   1.903   4.978
  136    HE1  TYR  20           HE1      TYR  20   2.878   5.628   1.717
  137    HE2  TYR  20           HE2      TYR  20   0.556   3.368   4.544
  138    HH   TYR  20           HH       TYR  20   0.277   5.368   1.901
  139    H    TYR  21           H        TYR  21   5.709  -0.673   1.954
  140    HA   TYR  21           HA       TYR  21   7.654  -1.779   3.729
  141   1HB   TYR  21          HB1       TYR  21   5.596  -2.688   2.107
  142   2HB   TYR  21          HB2       TYR  21   6.955  -3.113   1.088
  143    HD1  TYR  21           HD1      TYR  21   8.983  -4.264   2.624
  144    HD2  TYR  21           HD2      TYR  21   4.738  -4.370   3.397
  145    HE1  TYR  21           HE1      TYR  21   9.280  -6.307   3.960
  146    HE2  TYR  21           HE2      TYR  21   5.054  -6.437   4.722
  147    HH   TYR  21           HH       TYR  21   8.061  -8.204   4.794
  148    H    SER  22           H        SER  22   7.758  -0.744   0.281
  149    HA   SER  22           HA       SER  22  10.170  -1.812  -0.348
  150   1HB   SER  22          HB1       SER  22   8.332   0.090  -1.527
  151   2HB   SER  22          HB2       SER  22   9.943   0.785  -1.659
  152    HG   SER  22           HG       SER  22   9.362  -1.896  -2.405
  153    H    ALA  23           H        ALA  23   9.377   1.345   1.085
  154    HA   ALA  23           HA       ALA  23  12.093   2.342   1.211
  155   1HB   ALA  23          HB1       ALA  23   9.513   3.093   2.651
  156   2HB   ALA  23          HB2       ALA  23  11.053   3.953   2.869
  157   3HB   ALA  23          HB3       ALA  23  10.279   3.912   1.269
  158    H    LEU  24           H        LEU  24   9.973   0.412   3.311
  159    HA   LEU  24           HA       LEU  24  11.731   0.520   5.527
  160   1HB   LEU  24          HB1       LEU  24   9.194  -0.764   4.850
  161   2HB   LEU  24          HB2       LEU  24  10.246  -1.996   5.533
  162    HG   LEU  24           HG       LEU  24   9.148   0.573   6.746
  163   1HD1  LEU  24          HD1       LEU  24   8.507  -1.025   8.551
  164   2HD1  LEU  24          HD1       LEU  24   7.836  -1.477   6.974
  165   3HD1  LEU  24          HD1       LEU  24   9.232  -2.361   7.634
  166   1HD2  LEU  24          HD2       LEU  24  10.689  -0.330   8.779
  167   2HD2  LEU  24          HD2       LEU  24  11.692  -0.785   7.395
  168   3HD2  LEU  24          HD2       LEU  24  11.203   0.908   7.614
  169    H    ARG  25           H        ARG  25  11.515  -1.529   2.661
  170    HA   ARG  25           HA       ARG  25  13.319  -3.500   3.575
  171   1HB   ARG  25          HB1       ARG  25  12.195  -4.129   1.645
  172   2HB   ARG  25          HB2       ARG  25  12.358  -2.565   0.859
  173   1HG   ARG  25          HG1       ARG  25  14.493  -2.845   0.095
  174   2HG   ARG  25          HG2       ARG  25  14.927  -4.068   1.310
  175   1HD   ARG  25          HD1       ARG  25  13.595  -5.755   0.239
  176   2HD   ARG  25          HD2       ARG  25  12.947  -4.579  -0.904
  177    HE   ARG  25           HE       ARG  25  14.843  -4.686  -2.170
  178   1HH1  ARG  25          HH1       ARG  25  17.938  -6.323  -1.589
  179   2HH1  ARG  25          HH1       ARG  25  16.967  -5.477  -2.748
  180   1HH2  ARG  25          HH2       ARG  25  17.094  -6.685   0.622
  181   2HH2  ARG  25          HH2       ARG  25  15.520  -6.079   1.006
  182    H    HIS  26           H        HIS  26  13.822  -0.533   1.561
  183    HA   HIS  26           HA       HIS  26  16.569  -0.798   1.134
  184   1HB   HIS  26          HB1       HIS  26  14.964   0.995   0.307
  185   2HB   HIS  26          HB2       HIS  26  15.186   1.829   1.857
  186    HD1  HIS  26           HD1      HIS  26  17.865   0.197  -0.434
  187    HD2  HIS  26           HD2      HIS  26  16.765   3.893   1.244
  188    HE1  HIS  26           HE1      HIS  26  19.721   1.838  -1.019
  189    H    TYR  27           H        TYR  27  14.903   0.591   3.934
  190    HA   TYR  27           HA       TYR  27  17.230   1.279   5.444
  191   1HB   TYR  27          HB1       TYR  27  14.321   1.130   5.825
  192   2HB   TYR  27          HB2       TYR  27  15.240   0.808   7.304
  193    HD1  TYR  27           HD1      TYR  27  17.062   2.392   8.075
  194    HD2  TYR  27           HD2      TYR  27  14.064   3.381   5.133
  195    HE1  TYR  27           HE1      TYR  27  17.403   4.805   8.533
  196    HE2  TYR  27           HE2      TYR  27  14.408   5.785   5.597
  197    HH   TYR  27           HH       TYR  27  16.985   7.074   6.979
  198    H    ILE  28           H        ILE  28  14.802  -1.222   6.242
  199    HA   ILE  28           HA       ILE  28  16.311  -2.638   8.050
  200    HB   ILE  28           HB       ILE  28  14.311  -3.706   6.124
  201   1HG1  ILE  28          1HG1      ILE  28  14.145  -2.562   8.981
  202   2HG1  ILE  28          2HG1      ILE  28  13.424  -1.938   7.531
  203   1HG2  ILE  28          1HG2      ILE  28  15.984  -5.195   8.018
  204   2HG2  ILE  28          2HG2      ILE  28  14.382  -5.203   8.628
  205   3HG2  ILE  28          3HG2      ILE  28  14.676  -5.753   6.954
  206   1HD1  ILE  28          1HD1      ILE  28  11.545  -3.108   8.012
  207   2HD1  ILE  28          2HD1      ILE  28  12.427  -4.579   7.633
  208   3HD1  ILE  28          3HD1      ILE  28  12.401  -3.973   9.308
  209    H    ASN  29           H        ASN  29  16.708  -2.543   4.592
  210    HA   ASN  29           HA       ASN  29  18.299  -4.960   4.294
  211   1HB   ASN  29          HB1       ASN  29  17.293  -4.074   2.325
  212   2HB   ASN  29          HB2       ASN  29  17.887  -2.472   2.644
  213   1HD2  ASN  29          HD2       ASN  29  18.758  -2.224   0.623
  214   2HD2  ASN  29          HD2       ASN  29  20.290  -3.029   0.225
  215    H    LEU  30           H        LEU  30  19.006  -1.448   4.418
  216    HA   LEU  30           HA       LEU  30  21.859  -1.929   4.547
  217   1HB   LEU  30          HB1       LEU  30  22.182   0.451   4.727
  218   2HB   LEU  30          HB2       LEU  30  21.111  -0.015   3.384
  219    HG   LEU  30           HG       LEU  30  19.196   0.535   4.903
  220   1HD1  LEU  30          HD1       LEU  30  21.268   1.033   6.835
  221   2HD1  LEU  30          HD1       LEU  30  20.400   2.518   6.547
  222   3HD1  LEU  30          HD1       LEU  30  19.480   1.109   7.034
  223   1HD2  LEU  30          HD2       LEU  30  19.739   1.972   3.078
  224   2HD2  LEU  30          HD2       LEU  30  19.322   2.956   4.487
  225   3HD2  LEU  30          HD2       LEU  30  21.034   2.735   4.039
  226    H    ILE  31           H        ILE  31  19.430  -0.901   6.853
  227    HA   ILE  31           HA       ILE  31  20.908  -0.454   9.036
  228    HB   ILE  31           HB       ILE  31  18.181  -0.649   8.480
  229   1HG1  ILE  31          1HG1      ILE  31  19.583   0.787  10.193
  230   2HG1  ILE  31          2HG1      ILE  31  17.845   0.598  10.270
  231   1HG2  ILE  31          1HG2      ILE  31  17.133  -2.145  10.095
  232   2HG2  ILE  31          2HG2      ILE  31  18.143  -3.015   8.936
  233   3HG2  ILE  31          3HG2      ILE  31  18.727  -2.795  10.564
  234   1HD1  ILE  31          1HD1      ILE  31  18.086  -1.191  11.985
  235   2HD1  ILE  31          2HD1      ILE  31  19.865  -1.100  11.812
  236   3HD1  ILE  31          3HD1      ILE  31  18.929   0.254  12.493
  237    H    THR  32           H        THR  32  19.869  -3.567   7.656
  238    HA   THR  32           HA       THR  32  20.955  -5.105   9.831
  239    HB   THR  32           HB       THR  32  20.647  -6.988   8.116
  240    HG1  THR  32           HG1      THR  32  20.797  -5.546   6.254
  241   1HG2  THR  32          1HG2      THR  32  18.748  -6.768   9.569
  242   2HG2  THR  32          2HG2      THR  32  18.433  -5.119   9.059
  243   3HG2  THR  32          3HG2      THR  32  18.048  -6.459   7.971
  244    H    ARG  33           H        ARG  33  22.076  -3.967   6.633
  245    HA   ARG  33           HA       ARG  33  24.222  -5.436   6.174
  246   1HB   ARG  33          HB1       ARG  33  23.384  -3.113   5.381
  247   2HB   ARG  33          HB2       ARG  33  24.977  -2.593   5.943
  248   1HG   ARG  33          HG1       ARG  33  26.003  -3.911   4.285
  249   2HG   ARG  33          HG2       ARG  33  24.655  -5.015   4.138
  250   1HD   ARG  33          HD1       ARG  33  23.984  -3.987   2.340
  251   2HD   ARG  33          HD2       ARG  33  23.420  -2.699   3.367
  252    HE   ARG  33           HE       ARG  33  26.234  -2.479   2.727
  253   1HH1  ARG  33          HH1       ARG  33  25.738   0.206   0.481
  254   2HH1  ARG  33          HH1       ARG  33  26.894  -0.713   1.383
  255   1HH2  ARG  33          HH2       ARG  33  23.417  -0.366   0.639
  256   2HH2  ARG  33          HH2       ARG  33  22.956  -1.702   1.652
  257    H    GLN  34           H        GLN  34  24.132  -2.696   8.428
  258    HA   GLN  34           HA       GLN  34  26.810  -3.217   9.449
  259   1HB   GLN  34          HB1       GLN  34  24.692  -1.098   9.935
  260   2HB   GLN  34          HB2       GLN  34  25.998  -1.354  11.086
  261   1HG   GLN  34          HG1       GLN  34  27.016  -1.308   8.303
  262   2HG   GLN  34          HG2       GLN  34  26.086   0.146   8.656
  263   1HE2  GLN  34          1HE2      GLN  34  28.685   0.483   8.058
  264   2HE2  GLN  34          2HE2      GLN  34  29.595   0.874   9.522
  265    H    ARG  35           H        ARG  35  23.514  -3.008  10.853
  266    HA   ARG  35           HA       ARG  35  24.182  -3.976  13.367
  267   1HB   ARG  35          HB1       ARG  35  21.873  -3.141  12.363
  268   2HB   ARG  35          HB2       ARG  35  21.544  -4.855  12.101
  269   1HG   ARG  35          HG1       ARG  35  21.830  -5.304  14.437
  270   2HG   ARG  35          HG2       ARG  35  22.395  -3.641  14.747
  271   1HD   ARG  35          HD1       ARG  35  20.350  -2.676  14.460
  272   2HD   ARG  35          HD2       ARG  35  19.698  -3.981  13.436
  273    HE   ARG  35           HE       ARG  35  20.087  -5.300  15.757
  274   1HH1  ARG  35          HH1       ARG  35  17.349  -4.295  17.755
  275   2HH1  ARG  35          HH1       ARG  35  18.550  -5.513  17.492
  276   1HH2  ARG  35          HH2       ARG  35  17.279  -2.381  16.320
  277   2HH2  ARG  35          HH2       ARG  35  18.435  -2.266  15.037
  278    H    TYR  36           H        TYR  36  22.751  -5.979  10.783
  279    HA   TYR  36           HA       TYR  36  23.685  -8.459  12.044
  280   1HB   TYR  36          HB1       TYR  36  21.535  -7.578  10.146
  281   2HB   TYR  36          HB2       TYR  36  22.277  -9.084   9.721
  282    HD1  TYR  36           HD1      TYR  36  21.675 -11.086  10.804
  283    HD2  TYR  36           HD2      TYR  36  20.608  -7.298  12.569
  284    HE1  TYR  36           HE1      TYR  36  20.259 -12.254  12.443
  285    HE2  TYR  36           HE2      TYR  36  19.174  -8.487  14.221
  286    HH   TYR  36           HH       TYR  36  18.871 -12.047  14.229
  287   1HN   NH2  37          HN1       NH2 237  24.307 -10.128  10.298
  288   2HN   NH2  37          HN2       NH2 237  25.556  -9.571   9.157
  Start of MODEL    2
    1   1H    TYR   1          HN1       TYR   1  -1.967 -12.857   0.133
    2   2H    TYR   1          HN2       TYR   1  -1.635 -11.277   0.441
    3   3H    TYR   1          HN3       TYR   1  -1.879 -12.334   1.695
    4    HA   TYR   1           HA       TYR   1  -3.785 -10.954   0.114
    5   1HB   TYR   1          HB1       TYR   1  -3.816 -13.870   0.054
    6   2HB   TYR   1          HB2       TYR   1  -5.224 -13.237   0.919
    7    HD1  TYR   1           HD1      TYR   1  -7.097 -12.643  -0.288
    8    HD2  TYR   1           HD2      TYR   1  -3.235 -12.729  -2.228
    9    HE1  TYR   1           HE1      TYR   1  -8.157 -12.509  -2.514
   10    HE2  TYR   1           HE2      TYR   1  -4.297 -12.090  -4.330
   11    HH   TYR   1           HH       TYR   1  -6.395 -11.367  -5.303
   12    HA   PRO   2           HA       PRO   2  -5.431 -11.741   4.484
   13   1HB   PRO   2          HB1       PRO   2  -3.908 -13.243   6.263
   14   2HB   PRO   2          HB2       PRO   2  -5.302 -13.797   5.308
   15   1HG   PRO   2          HG1       PRO   2  -2.412 -14.367   4.876
   16   2HG   PRO   2          HG2       PRO   2  -3.798 -15.261   4.227
   17   1HD   PRO   2          HD1       PRO   2  -2.109 -13.514   3.030
   18   2HD   PRO   2          HD2       PRO   2  -3.602 -14.235   2.333
   19    H    SER   3           H        SER   3  -5.134  -9.899   5.598
   20    HA   SER   3           HA       SER   3  -2.641  -9.244   7.006
   21   1HB   SER   3          HB1       SER   3  -2.565  -6.981   5.877
   22   2HB   SER   3          HB2       SER   3  -1.993  -8.372   4.906
   23    HG   SER   3           HG       SER   3  -4.320  -6.876   4.578
   24    H    LYS   4           H        LYS   4  -5.686  -7.835   5.791
   25    HA   LYS   4           HA       LYS   4  -6.903  -7.659   8.382
   26   1HB   LYS   4          HB1       LYS   4  -6.785  -5.179   8.597
   27   2HB   LYS   4          HB2       LYS   4  -5.193  -5.935   8.823
   28   1HG   LYS   4          HG1       LYS   4  -4.289  -5.364   6.831
   29   2HG   LYS   4          HG2       LYS   4  -5.803  -4.694   6.149
   30   1HD   LYS   4          HD1       LYS   4  -4.534  -3.715   8.746
   31   2HD   LYS   4          HD2       LYS   4  -4.106  -3.147   7.127
   32   1HE   LYS   4          HE1       LYS   4  -7.076  -3.139   7.799
   33   2HE   LYS   4          HE2       LYS   4  -6.019  -1.957   8.593
   34   1HZ   LYS   4          HZ1       LYS   4  -6.831  -2.139   5.873
   35   2HZ   LYS   4          HZ2       LYS   4  -6.362  -0.837   6.805
   36   3HZ   LYS   4          HZ3       LYS   4  -5.220  -1.753   6.092
   37    HA   PRO   5           HA       PRO   5  -9.351  -6.917   4.448
   38   1HB   PRO   5          HB1       PRO   5 -10.909  -9.194   4.626
   39   2HB   PRO   5          HB2       PRO   5  -9.443  -9.022   3.620
   40   1HG   PRO   5          HG1       PRO   5  -9.923 -10.497   6.069
   41   2HG   PRO   5          HG2       PRO   5  -8.543 -10.723   4.946
   42   1HD   PRO   5          HD1       PRO   5  -8.449  -9.324   7.495
   43   2HD   PRO   5          HD2       PRO   5  -7.195  -9.476   6.234
   44    H    ASP   6           H        ASP   6 -11.226  -5.790   4.499
   45    HA   ASP   6           HA       ASP   6 -13.091  -6.127   6.818
   46   1HB   ASP   6          HB1       ASP   6 -11.749  -3.503   5.995
   47   2HB   ASP   6          HB2       ASP   6 -13.120  -3.791   7.107
   48    H    ASN   7           H        ASN   7 -12.435  -4.012   4.044
   49    HA   ASN   7           HA       ASN   7 -14.483  -5.096   2.489
   50   1HB   ASN   7          HB1       ASN   7 -15.818  -3.742   4.512
   51   2HB   ASN   7          HB2       ASN   7 -15.393  -2.383   3.481
   52   1HD2  ASN   7          HD2       ASN   7 -17.097  -1.900   2.130
   53   2HD2  ASN   7          HD2       ASN   7 -18.184  -3.124   1.488
   54    HA   PRO   8           HA       PRO   8 -12.184  -2.297  -0.167
   55   1HB   PRO   8          HB1       PRO   8 -13.767  -2.366  -2.475
   56   2HB   PRO   8          HB2       PRO   8 -12.579  -3.605  -1.953
   57   1HG   PRO   8          HG1       PRO   8 -15.519  -3.798  -1.881
   58   2HG   PRO   8          HG2       PRO   8 -14.223  -5.060  -1.882
   59   1HD   PRO   8          HD1       PRO   8 -15.754  -4.065   0.240
   60   2HD   PRO   8          HD2       PRO   8 -14.424  -5.277   0.301
   61    H    GLY   9           H        GLY   9 -12.347  -0.211   0.629
   62   1HA   GLY   9          HA1       GLY   9 -13.651   1.926  -0.684
   63   2HA   GLY   9          HA2       GLY   9 -14.766   1.384   0.537
   64    H    GLU  10           H        GLU  10 -11.166   1.680   0.505
   65    HA   GLU  10           HA       GLU  10 -11.323   3.494   2.856
   66   1HB   GLU  10          HB1       GLU  10 -10.590   0.784   3.129
   67   2HB   GLU  10          HB2       GLU  10  -9.005   1.574   2.916
   68   1HG   GLU  10          HG1       GLU  10  -9.331   1.858   5.179
   69   2HG   GLU  10          HG2       GLU  10 -10.051   3.310   4.599
   70    H    ASP  11           H        ASP  11  -8.471   3.551   3.059
   71    HA   ASP  11           HA       ASP  11  -7.844   5.215   0.637
   72   1HB   ASP  11          HB1       ASP  11  -6.101   6.182   2.019
   73   2HB   ASP  11          HB2       ASP  11  -7.650   6.359   2.802
   74    H    ALA  12           H        ALA  12  -7.913   2.633   0.035
   75    HA   ALA  12           HA       ALA  12  -6.538   1.018  -1.001
   76   1HB   ALA  12          HB1       ALA  12  -5.441   3.055  -1.922
   77   2HB   ALA  12          HB2       ALA  12  -4.189   2.948  -0.671
   78   3HB   ALA  12          HB3       ALA  12  -4.389   1.636  -1.812
   79    HA   PRO  13           HA       PRO  13  -5.073  -0.094   3.277
   80   1HB   PRO  13          HB1       PRO  13  -6.724  -2.374   3.560
   81   2HB   PRO  13          HB2       PRO  13  -7.077  -0.699   4.126
   82   1HG   PRO  13          HG1       PRO  13  -8.261  -2.168   1.856
   83   2HG   PRO  13          HG2       PRO  13  -8.883  -0.779   2.781
   84   1HD   PRO  13          HD1       PRO  13  -7.570  -0.778   0.220
   85   2HD   PRO  13          HD2       PRO  13  -8.109   0.636   1.174
   86    H    ALA  14           H        ALA  14  -3.338  -1.424   3.396
   87    HA   ALA  14           HA       ALA  14  -2.042  -3.389   3.198
   88   1HB   ALA  14          HB1       ALA  14  -3.595  -4.516   0.916
   89   2HB   ALA  14          HB2       ALA  14  -2.633  -5.322   2.158
   90   3HB   ALA  14          HB3       ALA  14  -4.223  -4.619   2.594
   91    H    GLU  15           H        GLU  15  -3.313  -2.491  -0.068
   92    HA   GLU  15           HA       GLU  15  -1.067  -2.721  -1.541
   93   1HB   GLU  15          HB1       GLU  15  -3.545  -1.950  -2.135
   94   2HB   GLU  15          HB2       GLU  15  -2.851  -0.323  -2.009
   95   1HG   GLU  15          HG1       GLU  15  -1.088  -0.959  -3.641
   96   2HG   GLU  15          HG2       GLU  15  -1.870  -2.514  -3.862
   97    H    ASP  16           H        ASP  16  -1.990  -0.086   0.629
   98    HA   ASP  16           HA       ASP  16   0.111   1.682  -0.083
   99   1HB   ASP  16          HB1       ASP  16  -2.107   1.716   1.786
  100   2HB   ASP  16          HB2       ASP  16  -0.699   1.842   2.797
  101    H    LEU  17           H        LEU  17  -0.256  -0.635   2.496
  102    HA   LEU  17           HA       LEU  17   2.217  -0.312   3.907
  103   1HB   LEU  17          HB1       LEU  17   0.978  -3.047   3.377
  104   2HB   LEU  17          HB2       LEU  17   1.998  -2.532   4.739
  105    HG   LEU  17           HG       LEU  17  -0.873  -1.771   4.054
  106   1HD1  LEU  17          HD1       LEU  17  -0.570  -4.012   5.092
  107   2HD1  LEU  17          HD1       LEU  17   0.411  -3.290   6.388
  108   3HD1  LEU  17          HD1       LEU  17  -1.307  -2.866   6.216
  109   1HD2  LEU  17          HD2       LEU  17  -1.012  -0.489   5.921
  110   2HD2  LEU  17          HD2       LEU  17   0.715  -0.704   6.381
  111   3HD2  LEU  17          HD2       LEU  17   0.267   0.259   4.951
  112    H    ALA  18           H        ALA  18   1.542  -2.102   0.961
  113    HA   ALA  18           HA       ALA  18   4.145  -3.191   0.520
  114   1HB   ALA  18          HB1       ALA  18   2.049  -2.322  -1.458
  115   2HB   ALA  18          HB2       ALA  18   3.518  -3.169  -1.910
  116   3HB   ALA  18          HB3       ALA  18   2.323  -3.950  -0.835
  117    H    ARG  19           H        ARG  19   2.826   0.021  -0.200
  118    HA   ARG  19           HA       ARG  19   5.112   1.015  -1.670
  119   1HB   ARG  19          HB1       ARG  19   2.529   2.023  -1.015
  120   2HB   ARG  19          HB2       ARG  19   3.581   2.967   0.022
  121   1HG   ARG  19          HG1       ARG  19   3.531   4.195  -1.941
  122   2HG   ARG  19          HG2       ARG  19   5.068   3.289  -2.053
  123   1HD   ARG  19          HD1       ARG  19   3.541   1.477  -3.257
  124   2HD   ARG  19          HD2       ARG  19   2.416   2.830  -3.454
  125    HE   ARG  19           HE       ARG  19   4.732   3.905  -4.356
  126   1HH1  ARG  19          HH1       ARG  19   5.080   2.392  -7.593
  127   2HH1  ARG  19          HH1       ARG  19   5.460   3.794  -6.561
  128   1HH2  ARG  19          HH2       ARG  19   3.566   0.833  -6.814
  129   2HH2  ARG  19          HH2       ARG  19   2.965   0.944  -5.204
  130    H    TYR  20           H        TYR  20   4.072   1.354   1.683
  131    HA   TYR  20           HA       TYR  20   6.483   2.684   2.611
  132   1HB   TYR  20          HB1       TYR  20   4.625   1.037   4.294
  133   2HB   TYR  20          HB2       TYR  20   5.655   2.456   4.722
  134    HD1  TYR  20           HD1      TYR  20   2.390   1.767   4.875
  135    HD2  TYR  20           HD2      TYR  20   4.942   4.354   2.516
  136    HE1  TYR  20           HE1      TYR  20   0.496   3.253   4.427
  137    HE2  TYR  20           HE2      TYR  20   3.084   5.802   2.097
  138    HH   TYR  20           HH       TYR  20  -0.148   5.376   3.500
  139    H    TYR  21           H        TYR  21   5.812  -0.584   1.861
  140    HA   TYR  21           HA       TYR  21   7.650  -1.856   3.630
  141   1HB   TYR  21          HB1       TYR  21   5.689  -2.599   1.769
  142   2HB   TYR  21          HB2       TYR  21   7.193  -3.171   1.014
  143    HD1  TYR  21           HD1      TYR  21   5.491  -2.924   4.396
  144    HD2  TYR  21           HD2      TYR  21   7.466  -5.403   1.447
  145    HE1  TYR  21           HE1      TYR  21   5.310  -4.863   5.889
  146    HE2  TYR  21           HE2      TYR  21   7.223  -7.335   2.899
  147    HH   TYR  21           HH       TYR  21   5.947  -8.178   4.855
  148    H    SER  22           H        SER  22   7.832  -0.807   0.140
  149    HA   SER  22           HA       SER  22  10.273  -1.808  -0.375
  150   1HB   SER  22          HB1       SER  22   9.007   0.734  -1.302
  151   2HB   SER  22          HB2       SER  22  10.413  -0.013  -2.137
  152    HG   SER  22           HG       SER  22   9.117  -1.440  -2.922
  153    H    ALA  23           H        ALA  23   9.456   1.296   1.088
  154    HA   ALA  23           HA       ALA  23  12.181   2.368   1.255
  155   1HB   ALA  23          HB1       ALA  23  10.081   3.734   1.290
  156   2HB   ALA  23          HB2       ALA  23   9.754   3.141   2.940
  157   3HB   ALA  23          HB3       ALA  23  11.219   4.094   2.597
  158    H    LEU  24           H        LEU  24   9.971   0.426   3.271
  159    HA   LEU  24           HA       LEU  24  11.700   0.503   5.526
  160   1HB   LEU  24          HB1       LEU  24   9.172  -0.875   4.759
  161   2HB   LEU  24          HB2       LEU  24  10.238  -2.040   5.523
  162    HG   LEU  24           HG       LEU  24   9.046   0.526   6.585
  163   1HD1  LEU  24          HD1       LEU  24   8.063  -1.989   6.619
  164   2HD1  LEU  24          HD1       LEU  24   9.176  -2.189   7.977
  165   3HD1  LEU  24          HD1       LEU  24   7.947  -0.911   8.002
  166   1HD2  LEU  24          HD2       LEU  24  11.649  -0.715   7.364
  167   2HD2  LEU  24          HD2       LEU  24  10.984   0.888   7.743
  168   3HD2  LEU  24          HD2       LEU  24  10.473  -0.558   8.656
  169    H    ARG  25           H        ARG  25  11.456  -1.535   2.661
  170    HA   ARG  25           HA       ARG  25  13.302  -3.517   3.567
  171   1HB   ARG  25          HB1       ARG  25  12.148  -4.148   1.655
  172   2HB   ARG  25          HB2       ARG  25  12.380  -2.599   0.835
  173   1HG   ARG  25          HG1       ARG  25  14.484  -2.943   0.138
  174   2HG   ARG  25          HG2       ARG  25  14.891  -4.141   1.371
  175   1HD   ARG  25          HD1       ARG  25  13.704  -5.871   0.341
  176   2HD   ARG  25          HD2       ARG  25  12.903  -4.801  -0.772
  177    HE   ARG  25           HE       ARG  25  14.704  -4.734  -2.177
  178   1HH1  ARG  25          HH1       ARG  25  17.987  -6.121  -1.798
  179   2HH1  ARG  25          HH1       ARG  25  16.908  -5.321  -2.862
  180   1HH2  ARG  25          HH2       ARG  25  17.178  -6.641   0.496
  181   2HH2  ARG  25          HH2       ARG  25  15.602  -6.136   0.899
  182    H    HIS  26           H        HIS  26  13.800  -0.565   1.596
  183    HA   HIS  26           HA       HIS  26  16.549  -0.875   1.249
  184   1HB   HIS  26          HB1       HIS  26  14.976   0.926   0.361
  185   2HB   HIS  26          HB2       HIS  26  15.186   1.769   1.901
  186    HD1  HIS  26           HD1      HIS  26  17.837  -0.009  -0.330
  187    HD2  HIS  26           HD2      HIS  26  16.767   3.729   1.315
  188    HE1  HIS  26           HE1      HIS  26  19.778   1.594  -0.733
  189    H    TYR  27           H        TYR  27  14.855   0.537   3.933
  190    HA   TYR  27           HA       TYR  27  17.105   1.319   5.578
  191   1HB   TYR  27          HB1       TYR  27  14.186   1.119   5.854
  192   2HB   TYR  27          HB2       TYR  27  15.079   0.755   7.370
  193    HD1  TYR  27           HD1      TYR  27  14.301   3.371   4.965
  194    HD2  TYR  27           HD2      TYR  27  16.583   2.213   8.474
  195    HE1  TYR  27           HE1      TYR  27  14.628   5.726   5.556
  196    HE2  TYR  27           HE2      TYR  27  16.928   4.577   9.026
  197    HH   TYR  27           HH       TYR  27  17.092   6.765   7.683
  198    H    ILE  28           H        ILE  28  14.716  -1.282   6.207
  199    HA   ILE  28           HA       ILE  28  16.229  -2.635   8.089
  200    HB   ILE  28           HB       ILE  28  14.281  -3.785   6.170
  201   1HG1  ILE  28          1HG1      ILE  28  14.080  -2.661   9.009
  202   2HG1  ILE  28          2HG1      ILE  28  13.380  -1.948   7.579
  203   1HG2  ILE  28          1HG2      ILE  28  14.711  -5.824   7.061
  204   2HG2  ILE  28          2HG2      ILE  28  15.968  -5.215   8.152
  205   3HG2  ILE  28          3HG2      ILE  28  14.350  -5.259   8.707
  206   1HD1  ILE  28          1HD1      ILE  28  12.404  -4.686   7.685
  207   2HD1  ILE  28          2HD1      ILE  28  12.378  -3.866   9.268
  208   3HD1  ILE  28          3HD1      ILE  28  11.503  -3.164   7.881
  209    H    ASN  29           H        ASN  29  16.679  -2.578   4.632
  210    HA   ASN  29           HA       ASN  29  18.385  -4.956   4.345
  211   1HB   ASN  29          HB1       ASN  29  17.276  -4.139   2.416
  212   2HB   ASN  29          HB2       ASN  29  17.897  -2.518   2.629
  213   1HD2  ASN  29          HD2       ASN  29  18.536  -5.453   1.263
  214   2HD2  ASN  29          HD2       ASN  29  20.150  -5.043   0.589
  215    H    LEU  30           H        LEU  30  18.954  -1.411   4.429
  216    HA   LEU  30           HA       LEU  30  21.839  -1.794   4.418
  217   1HB   LEU  30          HB1       LEU  30  22.021   0.609   4.657
  218   2HB   LEU  30          HB2       LEU  30  20.932   0.102   3.352
  219    HG   LEU  30           HG       LEU  30  19.112   0.492   5.088
  220   1HD1  LEU  30          HD1       LEU  30  21.122   1.133   6.894
  221   2HD1  LEU  30          HD1       LEU  30  20.589   2.692   6.331
  222   3HD1  LEU  30          HD1       LEU  30  19.395   1.557   7.010
  223   1HD2  LEU  30          HD2       LEU  30  19.023   2.947   4.505
  224   2HD2  LEU  30          HD2       LEU  30  20.600   2.690   3.702
  225   3HD2  LEU  30          HD2       LEU  30  19.155   1.827   3.140
  226    H    ILE  31           H        ILE  31  19.518  -0.830   6.836
  227    HA   ILE  31           HA       ILE  31  21.067  -0.447   9.003
  228    HB   ILE  31           HB       ILE  31  18.292  -0.621   8.556
  229   1HG1  ILE  31          1HG1      ILE  31  19.746   0.735  10.291
  230   2HG1  ILE  31          2HG1      ILE  31  18.007   0.494  10.376
  231   1HG2  ILE  31          1HG2      ILE  31  18.186  -2.962   8.849
  232   2HG2  ILE  31          2HG2      ILE  31  18.939  -2.891  10.430
  233   3HG2  ILE  31          3HG2      ILE  31  17.316  -2.199  10.183
  234   1HD1  ILE  31          1HD1      ILE  31  20.042  -1.286  11.823
  235   2HD1  ILE  31          2HD1      ILE  31  19.242   0.117  12.576
  236   3HD1  ILE  31          3HD1      ILE  31  18.271  -1.260  12.083
  237    H    THR  32           H        THR  32  19.944  -3.553   7.611
  238    HA   THR  32           HA       THR  32  21.204  -5.133   9.665
  239    HB   THR  32           HB       THR  32  20.690  -7.007   8.124
  240    HG1  THR  32           HG1      THR  32  19.895  -6.494   6.152
  241   1HG2  THR  32          1HG2      THR  32  18.080  -6.442   8.230
  242   2HG2  THR  32          2HG2      THR  32  18.973  -6.693   9.740
  243   3HG2  THR  32          3HG2      THR  32  18.620  -5.068   9.199
  244    H    ARG  33           H        ARG  33  21.772  -4.413   6.207
  245    HA   ARG  33           HA       ARG  33  23.994  -5.875   5.723
  246   1HB   ARG  33          HB1       ARG  33  22.871  -3.679   4.475
  247   2HB   ARG  33          HB2       ARG  33  24.501  -3.151   4.821
  248   1HG   ARG  33          HG1       ARG  33  24.765  -5.745   3.703
  249   2HG   ARG  33          HG2       ARG  33  23.360  -4.992   2.894
  250   1HD   ARG  33          HD1       ARG  33  24.580  -3.642   1.666
  251   2HD   ARG  33          HD2       ARG  33  25.659  -3.167   2.991
  252    HE   ARG  33           HE       ARG  33  26.181  -5.843   2.231
  253   1HH1  ARG  33          HH1       ARG  33  29.084  -5.023   0.405
  254   2HH1  ARG  33          HH1       ARG  33  28.201  -6.296   1.182
  255   1HH2  ARG  33          HH2       ARG  33  28.204  -2.759   0.470
  256   2HH2  ARG  33          HH2       ARG  33  26.647  -2.520   1.191
  257    H    GLN  34           H        GLN  34  24.033  -2.757   7.385
  258    HA   GLN  34           HA       GLN  34  26.870  -2.794   8.054
  259   1HB   GLN  34          HB1       GLN  34  24.541  -0.909   8.530
  260   2HB   GLN  34          HB2       GLN  34  26.015  -0.775   9.504
  261   1HG   GLN  34          HG1       GLN  34  26.523  -1.067   6.576
  262   2HG   GLN  34          HG2       GLN  34  25.678   0.418   7.095
  263   1HE2  GLN  34          1HE2      GLN  34  27.049   2.102   7.374
  264   2HE2  GLN  34          2HE2      GLN  34  28.661   1.906   8.051
  265    H    ARG  35           H        ARG  35  23.705  -3.132   9.801
  266    HA   ARG  35           HA       ARG  35  25.032  -3.621  12.351
  267   1HB   ARG  35          HB1       ARG  35  22.695  -2.873  12.237
  268   2HB   ARG  35          HB2       ARG  35  22.313  -4.354  11.352
  269   1HG   ARG  35          HG1       ARG  35  23.533  -5.323  13.688
  270   2HG   ARG  35          HG2       ARG  35  22.605  -3.965  14.225
  271   1HD   ARG  35          HD1       ARG  35  20.743  -5.125  14.055
  272   2HD   ARG  35          HD2       ARG  35  20.922  -5.562  12.334
  273    HE   ARG  35           HE       ARG  35  22.588  -7.094  14.143
  274   1HH1  ARG  35          HH1       ARG  35  20.323  -9.816  14.291
  275   2HH1  ARG  35          HH1       ARG  35  21.951  -9.232  14.569
  276   1HH2  ARG  35          HH2       ARG  35  18.621  -8.121  13.633
  277   2HH2  ARG  35          HH2       ARG  35  19.176  -6.563  13.255
  278    H    TYR  36           H        TYR  36  23.063  -5.970  10.530
  279    HA   TYR  36           HA       TYR  36  23.722  -8.369  11.701
  280   1HB   TYR  36          HB1       TYR  36  22.464  -7.501   9.230
  281   2HB   TYR  36          HB2       TYR  36  23.652  -8.700   8.782
  282    HD1  TYR  36           HD1      TYR  36  21.154  -8.026  11.352
  283    HD2  TYR  36           HD2      TYR  36  22.669 -10.757   8.476
  284    HE1  TYR  36           HE1      TYR  36  19.390  -9.744  12.061
  285    HE2  TYR  36           HE2      TYR  36  20.979 -12.396   9.094
  286    HH   TYR  36           HH       TYR  36  19.021 -12.819  10.389
  287   1HN   NH2  37          HN1       NH2 237  25.359  -6.775   9.010
  288   2HN   NH2  37          HN2       NH2 237  26.864  -7.583   9.266
  Start of MODEL    3
    1   1H    TYR   1          HN1       TYR   1  18.905  14.909  -7.268
    2   2H    TYR   1          HN2       TYR   1  20.280  14.254  -6.664
    3   3H    TYR   1          HN3       TYR   1  19.668  15.665  -6.024
    4    HA   TYR   1           HA       TYR   1  20.235  16.823  -8.030
    5   1HB   TYR   1          HB1       TYR   1  22.191  15.533  -6.336
    6   2HB   TYR   1          HB2       TYR   1  22.802  15.684  -7.989
    7    HD1  TYR   1           HD1      TYR   1  20.895  17.686  -5.413
    8    HD2  TYR   1           HD2      TYR   1  23.987  17.683  -8.476
    9    HE1  TYR   1           HE1      TYR   1  21.511  20.011  -4.875
   10    HE2  TYR   1           HE2      TYR   1  24.466  19.952  -8.027
   11    HH   TYR   1           HH       TYR   1  23.326  22.046  -6.849
   12    HA   PRO   2           HA       PRO   2  21.786  13.760 -11.251
   13   1HB   PRO   2          HB1       PRO   2  21.809  11.014 -10.588
   14   2HB   PRO   2          HB2       PRO   2  23.207  12.150 -10.486
   15   1HG   PRO   2          HG1       PRO   2  21.573  10.914  -8.369
   16   2HG   PRO   2          HG2       PRO   2  23.199  11.642  -8.244
   17   1HD   PRO   2          HD1       PRO   2  20.646  12.628  -7.593
   18   2HD   PRO   2          HD2       PRO   2  22.251  13.481  -7.474
   19    H    SER   3           H        SER   3  19.613  11.437  -9.421
   20    HA   SER   3           HA       SER   3  17.279  12.272 -10.867
   21   1HB   SER   3          HB1       SER   3  18.814  10.842 -12.624
   22   2HB   SER   3          HB2       SER   3  18.149   9.486 -11.723
   23    HG   SER   3           HG       SER   3  16.083  10.904 -12.135
   24    H    LYS   4           H        LYS   4  15.573  11.649  -9.582
   25    HA   LYS   4           HA       LYS   4  15.805   9.182  -8.114
   26   1HB   LYS   4          HB1       LYS   4  15.216  10.385  -5.903
   27   2HB   LYS   4          HB2       LYS   4  16.859  10.777  -6.539
   28   1HG   LYS   4          HG1       LYS   4  15.899  12.928  -7.368
   29   2HG   LYS   4          HG2       LYS   4  14.291  12.380  -6.824
   30   1HD   LYS   4          HD1       LYS   4  15.966  11.996  -4.549
   31   2HD   LYS   4          HD2       LYS   4  16.474  13.531  -5.267
   32   1HE   LYS   4          HE1       LYS   4  14.027  14.228  -5.320
   33   2HE   LYS   4          HE2       LYS   4  13.607  12.729  -4.507
   34   1HZ   LYS   4          HZ1       LYS   4  14.055  14.918  -3.158
   35   2HZ   LYS   4          HZ2       LYS   4  14.320  13.500  -2.574
   36   3HZ   LYS   4          HZ3       LYS   4  15.609  14.359  -3.206
   37    HA   PRO   5           HA       PRO   5  11.502   9.275  -9.024
   38   1HB   PRO   5          HB1       PRO   5  10.475   7.643  -6.980
   39   2HB   PRO   5          HB2       PRO   5  11.305   7.085  -8.453
   40   1HG   PRO   5          HG1       PRO   5  12.305   7.136  -5.664
   41   2HG   PRO   5          HG2       PRO   5  12.849   6.152  -7.058
   42   1HD   PRO   5          HD1       PRO   5  13.952   8.538  -5.984
   43   2HD   PRO   5          HD2       PRO   5  14.492   7.591  -7.452
   44    H    ASP   6           H        ASP   6   9.419   9.843  -8.146
   45    HA   ASP   6           HA       ASP   6   9.383  11.707  -5.801
   46   1HB   ASP   6          HB1       ASP   6   7.866  11.890  -8.329
   47   2HB   ASP   6          HB2       ASP   6   7.798  13.094  -7.049
   48    H    ASN   7           H        ASN   7   7.139   9.952  -8.107
   49    HA   ASN   7           HA       ASN   7   6.143   8.356  -5.944
   50   1HB   ASN   7          HB1       ASN   7   5.018  11.141  -5.992
   51   2HB   ASN   7          HB2       ASN   7   3.850   9.763  -5.943
   52   1HD2  ASN   7          HD2       ASN   7   4.428  11.758  -3.889
   53   2HD2  ASN   7          HD2       ASN   7   4.725  10.763  -2.494
   54    HA   PRO   8           HA       PRO   8   4.692   7.436 -10.109
   55   1HB   PRO   8          HB1       PRO   8   4.743   4.623  -9.734
   56   2HB   PRO   8          HB2       PRO   8   6.141   5.619 -10.239
   57   1HG   PRO   8          HG1       PRO   8   5.781   4.337  -7.682
   58   2HG   PRO   8          HG2       PRO   8   7.266   4.952  -8.486
   59   1HD   PRO   8          HD1       PRO   8   5.699   6.196  -6.438
   60   2HD   PRO   8          HD2       PRO   8   7.154   6.863  -7.275
   61    H    GLY   9           H        GLY   9   2.766   6.183 -10.868
   62   1HA   GLY   9          HA1       GLY   9   0.438   6.810  -9.753
   63   2HA   GLY   9          HA2       GLY   9   0.632   5.320 -10.722
   64    H    GLU  10           H        GLU  10  -0.548   6.433  -7.791
   65    HA   GLU  10           HA       GLU  10  -0.400   3.767  -6.574
   66   1HB   GLU  10          HB1       GLU  10   0.236   4.810  -4.410
   67   2HB   GLU  10          HB2       GLU  10   1.527   4.857  -5.631
   68   1HG   GLU  10          HG1       GLU  10   0.908   7.285  -6.063
   69   2HG   GLU  10          HG2       GLU  10  -0.205   7.184  -4.700
   70    H    ASP  11           H        ASP  11  -2.449   3.294  -6.388
   71    HA   ASP  11           HA       ASP  11  -4.239   4.856  -4.754
   72   1HB   ASP  11          HB1       ASP  11  -5.882   5.404  -6.429
   73   2HB   ASP  11          HB2       ASP  11  -4.416   6.254  -6.813
   74    H    ALA  12           H        ALA  12  -4.183   2.791  -3.679
   75    HA   ALA  12           HA       ALA  12  -6.372   1.219  -4.597
   76   1HB   ALA  12          HB1       ALA  12  -4.480  -0.897  -4.818
   77   2HB   ALA  12          HB2       ALA  12  -5.418  -0.148  -6.124
   78   3HB   ALA  12          HB3       ALA  12  -3.785   0.438  -5.739
   79    HA   PRO  13           HA       PRO  13  -5.933   0.116  -0.373
   80   1HB   PRO  13          HB1       PRO  13  -7.395  -2.293  -0.277
   81   2HB   PRO  13          HB2       PRO  13  -8.066  -0.641  -0.269
   82   1HG   PRO  13          HG1       PRO  13  -8.073  -2.640  -2.470
   83   2HG   PRO  13          HG2       PRO  13  -9.114  -1.207  -2.228
   84   1HD   PRO  13          HD1       PRO  13  -6.848  -1.470  -3.970
   85   2HD   PRO  13          HD2       PRO  13  -7.849  -0.017  -3.615
   86    H    ALA  14           H        ALA  14  -4.398  -0.989   0.814
   87    HA   ALA  14           HA       ALA  14  -2.955  -2.507   1.513
   88   1HB   ALA  14          HB1       ALA  14  -3.427  -4.702   1.211
   89   2HB   ALA  14          HB2       ALA  14  -4.687  -4.254   0.051
   90   3HB   ALA  14          HB3       ALA  14  -3.048  -4.579  -0.535
   91    H    GLU  15           H        GLU  15  -3.010  -2.480  -2.060
   92    HA   GLU  15           HA       GLU  15  -0.389  -2.733  -2.650
   93   1HB   GLU  15          HB1       GLU  15  -2.432  -2.318  -4.211
   94   2HB   GLU  15          HB2       GLU  15  -2.055  -0.594  -4.004
   95   1HG   GLU  15          HG1       GLU  15  -0.530  -0.818  -5.661
   96   2HG   GLU  15          HG2       GLU  15   0.431  -1.855  -4.615
   97    H    ASP  16           H        ASP  16  -1.959   0.109  -1.388
   98    HA   ASP  16           HA       ASP  16   0.209   1.938  -1.609
   99   1HB   ASP  16          HB1       ASP  16  -2.505   1.956  -0.650
  100   2HB   ASP  16          HB2       ASP  16  -1.442   2.166   0.809
  101    H    LEU  17           H        LEU  17  -0.829  -0.215   1.026
  102    HA   LEU  17           HA       LEU  17   1.305   0.467   2.789
  103   1HB   LEU  17          HB1       LEU  17   0.223  -1.128   4.164
  104   2HB   LEU  17          HB2       LEU  17  -0.973  -1.133   2.910
  105    HG   LEU  17           HG       LEU  17   0.530  -3.103   1.934
  106   1HD1  LEU  17          HD1       LEU  17   2.424  -2.498   3.699
  107   2HD1  LEU  17          HD1       LEU  17   1.418  -3.386   4.846
  108   3HD1  LEU  17          HD1       LEU  17   2.073  -4.173   3.375
  109   1HD2  LEU  17          HD2       LEU  17  -0.748  -3.868   4.537
  110   2HD2  LEU  17          HD2       LEU  17  -1.736  -3.187   3.241
  111   3HD2  LEU  17          HD2       LEU  17  -0.766  -4.636   2.917
  112    H    ALA  18           H        ALA  18   1.121  -1.755   0.122
  113    HA   ALA  18           HA       ALA  18   3.738  -2.940   0.661
  114   1HB   ALA  18          HB1       ALA  18   3.613  -3.618  -1.747
  115   2HB   ALA  18          HB2       ALA  18   2.146  -4.031  -0.794
  116   3HB   ALA  18          HB3       ALA  18   2.135  -2.639  -1.899
  117    H    ARG  19           H        ARG  19   2.865   0.219  -0.248
  118    HA   ARG  19           HA       ARG  19   5.184   0.878  -1.846
  119   1HB   ARG  19          HB1       ARG  19   2.794   2.036  -1.629
  120   2HB   ARG  19          HB2       ARG  19   3.562   2.923  -0.324
  121   1HG   ARG  19          HG1       ARG  19   4.352   4.304  -1.871
  122   2HG   ARG  19          HG2       ARG  19   5.504   3.050  -2.314
  123   1HD   ARG  19          HD1       ARG  19   2.632   3.052  -3.476
  124   2HD   ARG  19          HD2       ARG  19   3.757   4.199  -4.088
  125    HE   ARG  19           HE       ARG  19   3.692   1.333  -4.523
  126   1HH1  ARG  19          HH1       ARG  19   6.749   1.327  -6.331
  127   2HH1  ARG  19          HH1       ARG  19   5.328   0.447  -5.885
  128   1HH2  ARG  19          HH2       ARG  19   7.026   3.553  -5.411
  129   2HH2  ARG  19          HH2       ARG  19   5.765   4.212  -4.474
  130    H    TYR  20           H        TYR  20   4.120   1.395   1.512
  131    HA   TYR  20           HA       TYR  20   6.464   2.836   2.374
  132   1HB   TYR  20          HB1       TYR  20   5.505   2.861   4.262
  133   2HB   TYR  20          HB2       TYR  20   4.049   2.393   3.383
  134    HD1  TYR  20           HD1      TYR  20   6.695   1.230   5.723
  135    HD2  TYR  20           HD2      TYR  20   2.791   0.579   4.183
  136    HE1  TYR  20           HE1      TYR  20   6.441  -0.815   7.157
  137    HE2  TYR  20           HE2      TYR  20   2.571  -1.484   5.589
  138    HH   TYR  20           HH       TYR  20   4.764  -3.247   6.636
  139    H    TYR  21           H        TYR  21   5.675  -0.478   1.883
  140    HA   TYR  21           HA       TYR  21   7.511  -1.675   3.674
  141   1HB   TYR  21          HB1       TYR  21   5.451  -2.523   2.018
  142   2HB   TYR  21          HB2       TYR  21   6.850  -3.035   1.038
  143    HD1  TYR  21           HD1      TYR  21   7.129  -5.353   1.288
  144    HD2  TYR  21           HD2      TYR  21   5.981  -2.969   4.723
  145    HE1  TYR  21           HE1      TYR  21   7.320  -7.314   2.739
  146    HE2  TYR  21           HE2      TYR  21   5.818  -4.919   6.046
  147    HH   TYR  21           HH       TYR  21   6.316  -8.233   4.992
  148    H    SER  22           H        SER  22   7.743  -0.777   0.216
  149    HA   SER  22           HA       SER  22  10.169  -1.846  -0.319
  150   1HB   SER  22          HB1       SER  22   8.652   0.509  -1.362
  151   2HB   SER  22          HB2       SER  22  10.321   0.347  -1.910
  152    HG   SER  22           HG       SER  22   9.361  -0.968  -3.313
  153    H    ALA  23           H        ALA  23   9.377   1.281   1.132
  154    HA   ALA  23           HA       ALA  23  12.094   2.294   1.230
  155   1HB   ALA  23          HB1       ALA  23  10.352   3.280   3.313
  156   2HB   ALA  23          HB2       ALA  23  11.009   4.155   1.897
  157   3HB   ALA  23          HB3       ALA  23   9.461   3.279   1.807
  158    H    LEU  24           H        LEU  24   9.942   0.477   3.421
  159    HA   LEU  24           HA       LEU  24  11.833   0.446   5.566
  160   1HB   LEU  24          HB1       LEU  24   9.349  -1.135   4.811
  161   2HB   LEU  24          HB2       LEU  24  10.457  -1.947   5.881
  162    HG   LEU  24           HG       LEU  24   8.807   0.501   6.297
  163   1HD1  LEU  24          HD1       LEU  24   8.361  -1.797   6.902
  164   2HD1  LEU  24          HD1       LEU  24   9.655  -1.824   8.129
  165   3HD1  LEU  24          HD1       LEU  24   8.261  -0.781   8.355
  166   1HD2  LEU  24          HD2       LEU  24  10.697   1.555   7.019
  167   2HD2  LEU  24          HD2       LEU  24  10.091   0.819   8.528
  168   3HD2  LEU  24          HD2       LEU  24  11.427   0.010   7.675
  169    H    ARG  25           H        ARG  25  11.422  -1.518   2.678
  170    HA   ARG  25           HA       ARG  25  13.394  -3.495   3.601
  171   1HB   ARG  25          HB1       ARG  25  12.154  -4.121   1.724
  172   2HB   ARG  25          HB2       ARG  25  12.335  -2.603   0.832
  173   1HG   ARG  25          HG1       ARG  25  14.470  -2.810   0.248
  174   2HG   ARG  25          HG2       ARG  25  14.895  -4.150   1.390
  175   1HD   ARG  25          HD1       ARG  25  13.249  -5.608   0.127
  176   2HD   ARG  25          HD2       ARG  25  13.226  -4.356  -1.109
  177    HE   ARG  25           HE       ARG  25  15.370  -5.161  -1.741
  178   1HH1  ARG  25          HH1       ARG  25  17.481  -7.575  -0.269
  179   2HH1  ARG  25          HH1       ARG  25  17.197  -6.474  -1.562
  180   1HH2  ARG  25          HH2       ARG  25  15.899  -7.513   1.572
  181   2HH2  ARG  25          HH2       ARG  25  14.531  -6.476   1.412
  182    H    HIS  26           H        HIS  26  13.817  -0.534   1.565
  183    HA   HIS  26           HA       HIS  26  16.546  -0.810   1.143
  184   1HB   HIS  26          HB1       HIS  26  14.903   0.992   0.313
  185   2HB   HIS  26          HB2       HIS  26  15.151   1.808   1.898
  186    HD1  HIS  26           HD1      HIS  26  17.759   0.188  -0.400
  187    HD2  HIS  26           HD2      HIS  26  16.696   3.824   1.382
  188    HE1  HIS  26           HE1      HIS  26  19.620   1.910  -0.926
  189    H    TYR  27           H        TYR  27  14.893   0.585   3.918
  190    HA   TYR  27           HA       TYR  27  17.187   1.323   5.478
  191   1HB   TYR  27          HB1       TYR  27  14.279   1.126   5.857
  192   2HB   TYR  27          HB2       TYR  27  15.226   0.810   7.331
  193    HD1  TYR  27           HD1      TYR  27  14.231   3.383   4.991
  194    HD2  TYR  27           HD2      TYR  27  16.849   2.366   8.267
  195    HE1  TYR  27           HE1      TYR  27  14.575   5.782   5.460
  196    HE2  TYR  27           HE2      TYR  27  17.180   4.755   8.760
  197    HH   TYR  27           HH       TYR  27  16.383   6.971   8.297
  198    H    ILE  28           H        ILE  28  14.802  -1.226   6.245
  199    HA   ILE  28           HA       ILE  28  16.326  -2.640   8.030
  200    HB   ILE  28           HB       ILE  28  14.330  -3.726   6.120
  201   1HG1  ILE  28          1HG1      ILE  28  14.191  -2.621   8.925
  202   2HG1  ILE  28          2HG1      ILE  28  13.371  -1.972   7.541
  203   1HG2  ILE  28          1HG2      ILE  28  14.761  -5.790   6.981
  204   2HG2  ILE  28          2HG2      ILE  28  16.058  -5.186   8.023
  205   3HG2  ILE  28          3HG2      ILE  28  14.428  -5.201   8.624
  206   1HD1  ILE  28          1HD1      ILE  28  12.474  -4.689   7.727
  207   2HD1  ILE  28          2HD1      ILE  28  12.422  -3.958   9.357
  208   3HD1  ILE  28          3HD1      ILE  28  11.575  -3.206   7.981
  209    H    ASN  29           H        ASN  29  16.745  -2.560   4.575
  210    HA   ASN  29           HA       ASN  29  18.421  -4.956   4.226
  211   1HB   ASN  29          HB1       ASN  29  17.337  -4.069   2.323
  212   2HB   ASN  29          HB2       ASN  29  17.845  -2.420   2.662
  213   1HD2  ASN  29          HD2       ASN  29  19.522  -1.597   1.522
  214   2HD2  ASN  29          HD2       ASN  29  20.772  -2.651   0.847
  215    H    LEU  30           H        LEU  30  19.011  -1.445   4.448
  216    HA   LEU  30           HA       LEU  30  21.884  -1.896   4.563
  217   1HB   LEU  30          HB1       LEU  30  22.204   0.356   4.831
  218   2HB   LEU  30          HB2       LEU  30  21.076  -0.067   3.471
  219    HG   LEU  30           HG       LEU  30  19.222   0.557   4.917
  220   1HD1  LEU  30          HD1       LEU  30  19.473   1.155   7.073
  221   2HD1  LEU  30          HD1       LEU  30  21.273   1.119   6.901
  222   3HD1  LEU  30          HD1       LEU  30  20.360   2.584   6.579
  223   1HD2  LEU  30          HD2       LEU  30  20.226   2.019   3.045
  224   2HD2  LEU  30          HD2       LEU  30  19.076   2.611   4.238
  225   3HD2  LEU  30          HD2       LEU  30  20.742   3.082   4.425
  226    H    ILE  31           H        ILE  31  19.486  -0.872   6.875
  227    HA   ILE  31           HA       ILE  31  20.955  -0.440   9.059
  228    HB   ILE  31           HB       ILE  31  18.208  -0.649   8.498
  229   1HG1  ILE  31          1HG1      ILE  31  19.575   0.791  10.228
  230   2HG1  ILE  31          2HG1      ILE  31  17.827   0.567  10.283
  231   1HG2  ILE  31          1HG2      ILE  31  17.149  -2.158  10.092
  232   2HG2  ILE  31          2HG2      ILE  31  18.168  -3.010   8.926
  233   3HG2  ILE  31          3HG2      ILE  31  18.730  -2.826  10.573
  234   1HD1  ILE  31          1HD1      ILE  31  19.051   0.250  12.512
  235   2HD1  ILE  31          2HD1      ILE  31  18.035  -1.114  12.039
  236   3HD1  ILE  31          3HD1      ILE  31  19.810  -1.185  11.790
  237    H    THR  32           H        THR  32  19.917  -3.536   7.672
  238    HA   THR  32           HA       THR  32  20.979  -5.105   9.843
  239    HB   THR  32           HB       THR  32  20.705  -6.994   8.113
  240    HG1  THR  32           HG1      THR  32  19.454  -6.121   6.262
  241   1HG2  THR  32          1HG2      THR  32  18.463  -5.166   9.078
  242   2HG2  THR  32          2HG2      THR  32  18.081  -6.510   7.975
  243   3HG2  THR  32          3HG2      THR  32  18.812  -6.810   9.569
  244    H    ARG  33           H        ARG  33  22.099  -3.930   6.618
  245    HA   ARG  33           HA       ARG  33  24.319  -5.428   6.244
  246   1HB   ARG  33          HB1       ARG  33  23.397  -3.065   5.302
  247   2HB   ARG  33          HB2       ARG  33  24.922  -2.520   5.936
  248   1HG   ARG  33          HG1       ARG  33  26.078  -3.798   4.398
  249   2HG   ARG  33          HG2       ARG  33  24.731  -4.912   4.145
  250   1HD   ARG  33          HD1       ARG  33  23.620  -3.759   2.631
  251   2HD   ARG  33          HD2       ARG  33  23.933  -2.213   3.399
  252    HE   ARG  33           HE       ARG  33  25.517  -1.789   1.989
  253   1HH1  ARG  33          HH1       ARG  33  27.886  -3.835   0.267
  254   2HH1  ARG  33          HH1       ARG  33  27.259  -2.222   0.555
  255   1HH2  ARG  33          HH2       ARG  33  26.752  -5.641   1.355
  256   2HH2  ARG  33          HH2       ARG  33  25.384  -5.154   2.262
  257    H    GLN  34           H        GLN  34  24.156  -2.637   8.414
  258    HA   GLN  34           HA       GLN  34  26.827  -3.052   9.470
  259   1HB   GLN  34          HB1       GLN  34  24.605  -1.198  10.328
  260   2HB   GLN  34          HB2       GLN  34  26.244  -1.220  11.019
  261   1HG   GLN  34          HG1       GLN  34  27.159  -0.186   9.311
  262   2HG   GLN  34          HG2       GLN  34  26.250  -1.018   8.059
  263   1HE2  GLN  34          1HE2      GLN  34  26.468   1.994   9.753
  264   2HE2  GLN  34          2HE2      GLN  34  24.957   2.631   9.146
  265    H    ARG  35           H        ARG  35  23.479  -3.021  10.908
  266    HA   ARG  35           HA       ARG  35  24.395  -4.289  13.325
  267   1HB   ARG  35          HB1       ARG  35  21.898  -3.521  12.121
  268   2HB   ARG  35          HB2       ARG  35  21.653  -5.154  12.653
  269   1HG   ARG  35          HG1       ARG  35  22.322  -4.491  14.908
  270   2HG   ARG  35          HG2       ARG  35  22.738  -2.851  14.258
  271   1HD   ARG  35          HD1       ARG  35  20.501  -2.399  13.571
  272   2HD   ARG  35          HD2       ARG  35  19.915  -3.963  14.169
  273    HE   ARG  35           HE       ARG  35  20.456  -1.510  15.652
  274   1HH1  ARG  35          HH1       ARG  35  20.191  -3.012  18.830
  275   2HH1  ARG  35          HH1       ARG  35  20.277  -1.523  17.982
  276   1HH2  ARG  35          HH2       ARG  35  20.410  -5.051  17.617
  277   2HH2  ARG  35          HH2       ARG  35  20.574  -5.003  15.925
  278    H    TYR  36           H        TYR  36  22.636  -6.002  10.717
  279    HA   TYR  36           HA       TYR  36  23.662  -8.562  11.771
  280   1HB   TYR  36          HB1       TYR  36  21.439  -7.558  10.103
  281   2HB   TYR  36          HB2       TYR  36  22.124  -9.060   9.568
  282    HD1  TYR  36           HD1      TYR  36  20.113  -7.396  12.131
  283    HD2  TYR  36           HD2      TYR  36  21.989 -11.093  11.003
  284    HE1  TYR  36           HE1      TYR  36  18.909  -8.535  13.910
  285    HE2  TYR  36           HE2      TYR  36  20.598 -12.294  12.629
  286    HH   TYR  36           HH       TYR  36  19.515 -11.678  14.894
  287   1HN   NH2  37          HN1       NH2 237  24.026 -10.143   9.768
  288   2HN   NH2  37          HN2       NH2 237  25.260  -9.540   8.667
  Start of MODEL    4
    1   1H    TYR   1          HN1       TYR   1 -16.546  16.952  -6.625
    2   2H    TYR   1          HN2       TYR   1 -16.373  16.251  -8.118
    3   3H    TYR   1          HN3       TYR   1 -17.893  16.444  -7.456
    4    HA   TYR   1           HA       TYR   1 -16.681  15.262  -5.443
    5   1HB   TYR   1          HB1       TYR   1 -18.555  14.420  -7.590
    6   2HB   TYR   1          HB2       TYR   1 -17.733  13.090  -6.780
    7    HD1  TYR   1           HD1      TYR   1 -20.498  15.354  -6.381
    8    HD2  TYR   1           HD2      TYR   1 -17.649  12.886  -4.316
    9    HE1  TYR   1           HE1      TYR   1 -22.028  15.221  -4.388
   10    HE2  TYR   1           HE2      TYR   1 -19.194  12.657  -2.416
   11    HH   TYR   1           HH       TYR   1 -22.608  13.661  -2.819
   12    HA   PRO   2           HA       PRO   2 -14.143  12.188  -7.558
   13   1HB   PRO   2          HB1       PRO   2 -13.584  12.132 -10.313
   14   2HB   PRO   2          HB2       PRO   2 -14.792  11.166  -9.508
   15   1HG   PRO   2          HG1       PRO   2 -15.204  13.469 -11.234
   16   2HG   PRO   2          HG2       PRO   2 -16.325  12.187 -10.727
   17   1HD   PRO   2          HD1       PRO   2 -16.283  14.893  -9.617
   18   2HD   PRO   2          HD2       PRO   2 -17.243  13.502  -9.060
   19    H    SER   3           H        SER   3 -12.452  13.229  -6.509
   20    HA   SER   3           HA       SER   3 -10.900  15.270  -7.977
   21   1HB   SER   3          HB1       SER   3 -11.546  14.839  -5.158
   22   2HB   SER   3          HB2       SER   3  -9.781  15.005  -5.399
   23    HG   SER   3           HG       SER   3 -11.061  16.963  -5.007
   24    H    LYS   4           H        LYS   4 -10.255  12.300  -6.075
   25    HA   LYS   4           HA       LYS   4  -8.631  10.912  -7.772
   26   1HB   LYS   4          HB1       LYS   4  -7.133  13.204  -6.668
   27   2HB   LYS   4          HB2       LYS   4  -6.370  11.653  -6.366
   28   1HG   LYS   4          HG1       LYS   4  -7.411  12.011  -9.147
   29   2HG   LYS   4          HG2       LYS   4  -6.033  13.029  -8.712
   30   1HD   LYS   4          HD1       LYS   4  -4.572  11.256  -8.587
   31   2HD   LYS   4          HD2       LYS   4  -5.752  10.172  -7.858
   32   1HE   LYS   4          HE1       LYS   4  -5.075   9.394 -10.051
   33   2HE   LYS   4          HE2       LYS   4  -6.809   9.700 -10.000
   34   1HZ   LYS   4          HZ1       LYS   4  -6.507  11.604 -11.422
   35   2HZ   LYS   4          HZ2       LYS   4  -4.909  11.687 -11.060
   36   3HZ   LYS   4          HZ3       LYS   4  -5.488  10.487 -12.027
   37    HA   PRO   5           HA       PRO   5  -7.985   9.251  -3.386
   38   1HB   PRO   5          HB1       PRO   5  -8.693  10.736  -1.228
   39   2HB   PRO   5          HB2       PRO   5  -7.079  10.791  -1.898
   40   1HG   PRO   5          HG1       PRO   5  -9.240  12.819  -2.050
   41   2HG   PRO   5          HG2       PRO   5  -7.476  13.026  -2.246
   42   1HD   PRO   5          HD1       PRO   5  -9.477  12.836  -4.338
   43   2HD   PRO   5          HD2       PRO   5  -7.731  12.973  -4.574
   44    H    ASP   6           H        ASP   6  -9.762   8.236  -4.544
   45    HA   ASP   6           HA       ASP   6 -12.371   8.611  -3.219
   46   1HB   ASP   6          HB1       ASP   6 -12.103   8.673  -5.827
   47   2HB   ASP   6          HB2       ASP   6 -11.947   6.936  -5.724
   48    H    ASN   7           H        ASN   7 -11.803   7.474  -1.326
   49    HA   ASN   7           HA       ASN   7 -12.162   4.794  -1.309
   50   1HB   ASN   7          HB1       ASN   7  -9.420   5.106  -1.988
   51   2HB   ASN   7          HB2       ASN   7  -9.408   4.708  -0.255
   52   1HD2  ASN   7          HD2       ASN   7  -9.028   2.503  -0.131
   53   2HD2  ASN   7          HD2       ASN   7  -9.827   1.307  -1.109
   54    HA   PRO   8           HA       PRO   8 -12.684   5.938   2.989
   55   1HB   PRO   8          HB1       PRO   8 -12.812   3.478   4.268
   56   2HB   PRO   8          HB2       PRO   8 -14.153   4.200   3.355
   57   1HG   PRO   8          HG1       PRO   8 -12.358   1.947   2.580
   58   2HG   PRO   8          HG2       PRO   8 -14.003   2.345   2.004
   59   1HD   PRO   8          HD1       PRO   8 -11.583   2.820   0.620
   60   2HD   PRO   8          HD2       PRO   8 -13.149   3.458   0.169
   61    H    GLY   9           H        GLY   9 -10.332   3.263   2.599
   62   1HA   GLY   9          HA1       GLY   9  -8.743   4.214   4.918
   63   2HA   GLY   9          HA2       GLY   9  -8.407   2.879   3.810
   64    H    GLU  10           H        GLU  10  -6.674   3.195   2.686
   65    HA   GLU  10           HA       GLU  10  -6.034   5.799   1.404
   66   1HB   GLU  10          HB1       GLU  10  -4.240   3.949   2.994
   67   2HB   GLU  10          HB2       GLU  10  -3.603   5.107   1.859
   68   1HG   GLU  10          HG1       GLU  10  -5.487   6.477   3.597
   69   2HG   GLU  10          HG2       GLU  10  -4.394   5.514   4.615
   70    H    ASP  11           H        ASP  11  -7.010   4.709  -0.438
   71    HA   ASP  11           HA       ASP  11  -6.878   4.029  -2.482
   72   1HB   ASP  11          HB1       ASP  11  -4.375   4.409  -2.002
   73   2HB   ASP  11          HB2       ASP  11  -4.224   2.650  -1.990
   74    H    ALA  12           H        ALA  12  -5.533   1.694  -0.323
   75    HA   ALA  12           HA       ALA  12  -7.667  -0.168  -0.370
   76   1HB   ALA  12          HB1       ALA  12  -5.545  -1.736  -1.652
   77   2HB   ALA  12          HB2       ALA  12  -7.272  -1.583  -2.053
   78   3HB   ALA  12          HB3       ALA  12  -6.097  -0.403  -2.667
   79    HA   PRO  13           HA       PRO  13  -5.328  -1.414   3.224
   80   1HB   PRO  13          HB1       PRO  13  -6.235  -3.960   3.686
   81   2HB   PRO  13          HB2       PRO  13  -7.177  -2.527   4.111
   82   1HG   PRO  13          HG1       PRO  13  -7.581  -4.423   1.856
   83   2HG   PRO  13          HG2       PRO  13  -8.771  -3.377   2.596
   84   1HD   PRO  13          HD1       PRO  13  -7.440  -2.887   0.136
   85   2HD   PRO  13          HD2       PRO  13  -8.434  -1.733   1.029
   86    H    ALA  14           H        ALA  14  -3.296  -2.242   3.531
   87    HA   ALA  14           HA       ALA  14  -1.527  -3.622   3.500
   88   1HB   ALA  14          HB1       ALA  14  -1.386  -5.708   2.486
   89   2HB   ALA  14          HB2       ALA  14  -3.056  -5.652   3.082
   90   3HB   ALA  14          HB3       ALA  14  -2.692  -5.418   1.352
   91    H    GLU  15           H        GLU  15  -2.998  -3.240   0.255
   92    HA   GLU  15           HA       GLU  15  -0.798  -3.007  -1.273
   93   1HB   GLU  15          HB1       GLU  15  -3.560  -2.574  -1.533
   94   2HB   GLU  15          HB2       GLU  15  -2.882  -1.002  -2.002
   95   1HG   GLU  15          HG1       GLU  15  -1.280  -2.379  -3.514
   96   2HG   GLU  15          HG2       GLU  15  -2.445  -3.690  -3.275
   97    H    ASP  16           H        ASP  16  -2.335  -0.431   0.709
   98    HA   ASP  16           HA       ASP  16  -0.461   1.522   0.055
   99   1HB   ASP  16          HB1       ASP  16  -2.675   1.689   1.550
  100   2HB   ASP  16          HB2       ASP  16  -1.590   1.330   2.958
  101    H    LEU  17           H        LEU  17  -0.405  -0.689   2.850
  102    HA   LEU  17           HA       LEU  17   1.971   0.183   4.010
  103   1HB   LEU  17          HB1       LEU  17   1.262  -1.265   5.522
  104   2HB   LEU  17          HB2       LEU  17   0.052  -1.849   4.393
  105    HG   LEU  17           HG       LEU  17   1.575  -3.553   3.545
  106   1HD1  LEU  17          HD1       LEU  17   3.515  -2.136   5.330
  107   2HD1  LEU  17          HD1       LEU  17   3.559  -3.916   5.411
  108   3HD1  LEU  17          HD1       LEU  17   3.838  -3.113   3.888
  109   1HD2  LEU  17          HD2       LEU  17   0.919  -5.006   5.158
  110   2HD2  LEU  17          HD2       LEU  17   1.638  -4.076   6.495
  111   3HD2  LEU  17          HD2       LEU  17   0.090  -3.617   5.831
  112    H    ALA  18           H        ALA  18   1.409  -2.039   1.337
  113    HA   ALA  18           HA       ALA  18   3.909  -3.264   1.019
  114   1HB   ALA  18          HB1       ALA  18   2.038  -4.146  -0.087
  115   2HB   ALA  18          HB2       ALA  18   1.720  -2.639  -0.955
  116   3HB   ALA  18          HB3       ALA  18   3.173  -3.577  -1.339
  117    H    ARG  19           H        ARG  19   2.679  -0.103  -0.039
  118    HA   ARG  19           HA       ARG  19   4.854   0.651  -1.656
  119   1HB   ARG  19          HB1       ARG  19   2.526   1.542  -1.313
  120   2HB   ARG  19          HB2       ARG  19   3.152   2.551  -0.018
  121   1HG   ARG  19          HG1       ARG  19   4.170   2.470  -2.895
  122   2HG   ARG  19          HG2       ARG  19   3.078   3.678  -2.254
  123   1HD   ARG  19          HD1       ARG  19   5.003   3.934  -0.361
  124   2HD   ARG  19          HD2       ARG  19   6.016   3.200  -1.586
  125    HE   ARG  19           HE       ARG  19   6.021   5.189  -2.768
  126   1HH1  ARG  19          HH1       ARG  19   3.859   7.955  -2.664
  127   2HH1  ARG  19          HH1       ARG  19   5.338   7.341  -3.284
  128   1HH2  ARG  19          HH2       ARG  19   2.454   6.472  -1.315
  129   2HH2  ARG  19          HH2       ARG  19   3.228   5.085  -0.650
  130    H    TYR  20           H        TYR  20   4.025   1.550   1.745
  131    HA   TYR  20           HA       TYR  20   6.446   2.754   2.390
  132   1HB   TYR  20          HB1       TYR  20   4.658   3.207   3.790
  133   2HB   TYR  20          HB2       TYR  20   4.138   1.535   3.884
  134    HD1  TYR  20           HD1      TYR  20   7.104   3.649   4.882
  135    HD2  TYR  20           HD2      TYR  20   4.583   0.291   5.782
  136    HE1  TYR  20           HE1      TYR  20   8.313   3.321   7.060
  137    HE2  TYR  20           HE2      TYR  20   5.749   0.029   7.974
  138    HH   TYR  20           HH       TYR  20   8.349   2.115   9.089
  139    H    TYR  21           H        TYR  21   5.574  -0.561   2.189
  140    HA   TYR  21           HA       TYR  21   7.584  -1.790   3.684
  141   1HB   TYR  21          HB1       TYR  21   5.536  -2.682   2.119
  142   2HB   TYR  21          HB2       TYR  21   6.868  -3.169   1.114
  143    HD1  TYR  21           HD1      TYR  21   8.779  -3.813   3.632
  144    HD2  TYR  21           HD2      TYR  21   4.748  -4.836   2.541
  145    HE1  TYR  21           HE1      TYR  21   8.867  -5.792   5.154
  146    HE2  TYR  21           HE2      TYR  21   4.818  -6.756   4.154
  147    HH   TYR  21           HH       TYR  21   6.530  -8.283   4.816
  148    H    SER  22           H        SER  22   7.711  -0.761   0.187
  149    HA   SER  22           HA       SER  22  10.142  -1.847  -0.336
  150   1HB   SER  22          HB1       SER  22   8.547  -0.699  -1.958
  151   2HB   SER  22          HB2       SER  22   9.274   0.832  -1.428
  152    HG   SER  22           HG       SER  22  10.436   0.269  -3.212
  153    H    ALA  23           H        ALA  23   9.381   1.307   1.097
  154    HA   ALA  23           HA       ALA  23  12.113   2.340   1.129
  155   1HB   ALA  23          HB1       ALA  23  11.170   4.015   2.732
  156   2HB   ALA  23          HB2       ALA  23  10.222   3.888   1.241
  157   3HB   ALA  23          HB3       ALA  23   9.636   3.116   2.731
  158    H    LEU  24           H        LEU  24   9.921   0.708   3.529
  159    HA   LEU  24           HA       LEU  24  11.816   0.489   5.555
  160   1HB   LEU  24          HB1       LEU  24   9.531  -1.310   4.781
  161   2HB   LEU  24          HB2       LEU  24  10.711  -1.829   5.984
  162    HG   LEU  24           HG       LEU  24   8.704   0.362   6.226
  163   1HD1  LEU  24          HD1       LEU  24   9.524  -1.485   8.453
  164   2HD1  LEU  24          HD1       LEU  24   7.913  -0.900   7.999
  165   3HD1  LEU  24          HD1       LEU  24   8.666  -2.199   7.061
  166   1HD2  LEU  24          HD2       LEU  24  11.357   0.167   7.688
  167   2HD2  LEU  24          HD2       LEU  24  10.618   1.581   6.869
  168   3HD2  LEU  24          HD2       LEU  24   9.917   0.944   8.366
  169    H    ARG  25           H        ARG  25  11.438  -1.629   2.694
  170    HA   ARG  25           HA       ARG  25  13.349  -3.452   3.620
  171   1HB   ARG  25          HB1       ARG  25  12.153  -4.177   1.597
  172   2HB   ARG  25          HB2       ARG  25  12.277  -2.630   0.813
  173   1HG   ARG  25          HG1       ARG  25  14.662  -2.916   0.419
  174   2HG   ARG  25          HG2       ARG  25  14.663  -4.472   1.301
  175   1HD   ARG  25          HD1       ARG  25  13.401  -5.494  -0.529
  176   2HD   ARG  25          HD2       ARG  25  12.845  -3.906  -1.056
  177    HE   ARG  25           HE       ARG  25  14.619  -3.572  -2.359
  178   1HH1  ARG  25          HH1       ARG  25  17.705  -5.195  -2.718
  179   2HH1  ARG  25          HH1       ARG  25  16.631  -3.983  -3.339
  180   1HH2  ARG  25          HH2       ARG  25  17.040  -6.427  -0.738
  181   2HH2  ARG  25          HH2       ARG  25  15.492  -6.040  -0.040
  182    H    HIS  26           H        HIS  26  13.745  -0.447   1.640
  183    HA   HIS  26           HA       HIS  26  16.453  -0.902   1.190
  184   1HB   HIS  26          HB1       HIS  26  14.951   1.010   0.239
  185   2HB   HIS  26          HB2       HIS  26  15.204   1.841   1.731
  186    HD1  HIS  26           HD1      HIS  26  17.902   0.094  -0.469
  187    HD2  HIS  26           HD2      HIS  26  16.787   3.796   1.198
  188    HE1  HIS  26           HE1      HIS  26  19.751   1.761  -1.064
  189    H    TYR  27           H        TYR  27  14.820   0.748   3.930
  190    HA   TYR  27           HA       TYR  27  17.179   1.246   5.440
  191   1HB   TYR  27          HB1       TYR  27  14.234   1.124   5.969
  192   2HB   TYR  27          HB2       TYR  27  15.262   0.797   7.333
  193    HD1  TYR  27           HD1      TYR  27  14.152   3.375   4.948
  194    HD2  TYR  27           HD2      TYR  27  16.952   2.485   8.090
  195    HE1  TYR  27           HE1      TYR  27  14.525   5.821   5.332
  196    HE2  TYR  27           HE2      TYR  27  17.216   4.936   8.550
  197    HH   TYR  27           HH       TYR  27  16.167   7.095   8.193
  198    H    ILE  28           H        ILE  28  14.800  -1.239   6.180
  199    HA   ILE  28           HA       ILE  28  16.243  -2.541   7.961
  200    HB   ILE  28           HB       ILE  28  14.206  -3.799   6.141
  201   1HG1  ILE  28          1HG1      ILE  28  14.119  -2.735   8.969
  202   2HG1  ILE  28          2HG1      ILE  28  13.432  -1.932   7.541
  203   1HG2  ILE  28          1HG2      ILE  28  14.079  -5.610   7.820
  204   2HG2  ILE  28          2HG2      ILE  28  15.710  -5.527   7.165
  205   3HG2  ILE  28          3HG2      ILE  28  15.355  -4.826   8.762
  206   1HD1  ILE  28          1HD1      ILE  28  11.893  -3.943   7.277
  207   2HD1  ILE  28          2HD1      ILE  28  12.466  -4.509   8.865
  208   3HD1  ILE  28          3HD1      ILE  28  11.627  -2.970   8.742
  209    H    ASN  29           H        ASN  29  16.689  -2.823   4.555
  210    HA   ASN  29           HA       ASN  29  18.502  -5.038   4.330
  211   1HB   ASN  29          HB1       ASN  29  17.407  -4.167   2.370
  212   2HB   ASN  29          HB2       ASN  29  17.912  -2.560   2.691
  213   1HD2  ASN  29          HD2       ASN  29  19.736  -1.745   1.889
  214   2HD2  ASN  29          HD2       ASN  29  20.914  -2.649   0.953
  215    H    LEU  30           H        LEU  30  18.990  -1.541   4.577
  216    HA   LEU  30           HA       LEU  30  21.890  -1.810   4.590
  217   1HB   LEU  30          HB1       LEU  30  22.134   0.503   4.663
  218   2HB   LEU  30          HB2       LEU  30  20.962   0.051   3.421
  219    HG   LEU  30           HG       LEU  30  19.148   0.728   5.035
  220   1HD1  LEU  30          HD1       LEU  30  20.401   2.736   6.534
  221   2HD1  LEU  30          HD1       LEU  30  19.568   1.307   7.115
  222   3HD1  LEU  30          HD1       LEU  30  21.327   1.285   6.883
  223   1HD2  LEU  30          HD2       LEU  30  19.287   2.126   3.312
  224   2HD2  LEU  30          HD2       LEU  30  19.844   3.280   4.519
  225   3HD2  LEU  30          HD2       LEU  30  21.015   2.440   3.498
  226    H    ILE  31           H        ILE  31  19.422  -1.061   6.974
  227    HA   ILE  31           HA       ILE  31  21.004  -0.472   9.187
  228    HB   ILE  31           HB       ILE  31  18.349  -0.561   8.523
  229   1HG1  ILE  31          1HG1      ILE  31  19.584   0.855  10.220
  230   2HG1  ILE  31          2HG1      ILE  31  17.860   0.553  10.351
  231   1HG2  ILE  31          1HG2      ILE  31  17.171  -2.009  10.093
  232   2HG2  ILE  31          2HG2      ILE  31  18.115  -2.959   8.970
  233   3HG2  ILE  31          3HG2      ILE  31  18.703  -2.763  10.602
  234   1HD1  ILE  31          1HD1      ILE  31  19.092   0.414  12.530
  235   2HD1  ILE  31          2HD1      ILE  31  18.093  -0.988  12.138
  236   3HD1  ILE  31          3HD1      ILE  31  19.864  -1.082  11.937
  237    H    THR  32           H        THR  32  19.719  -3.629   7.857
  238    HA   THR  32           HA       THR  32  20.978  -5.192   9.870
  239    HB   THR  32           HB       THR  32  20.683  -7.083   8.225
  240    HG1  THR  32           HG1      THR  32  20.865  -5.940   6.314
  241   1HG2  THR  32          1HG2      THR  32  18.447  -5.292   9.175
  242   2HG2  THR  32          2HG2      THR  32  18.080  -6.706   8.174
  243   3HG2  THR  32          3HG2      THR  32  18.959  -6.898   9.704
  244    H    ARG  33           H        ARG  33  22.105  -3.976   6.722
  245    HA   ARG  33           HA       ARG  33  24.310  -5.428   6.306
  246   1HB   ARG  33          HB1       ARG  33  23.367  -3.131   5.347
  247   2HB   ARG  33          HB2       ARG  33  24.807  -2.501   5.936
  248   1HG   ARG  33          HG1       ARG  33  25.178  -3.145   3.648
  249   2HG   ARG  33          HG2       ARG  33  25.887  -4.460   4.531
  250   1HD   ARG  33          HD1       ARG  33  23.032  -4.975   4.183
  251   2HD   ARG  33          HD2       ARG  33  23.735  -4.595   2.646
  252    HE   ARG  33           HE       ARG  33  24.093  -6.929   4.401
  253   1HH1  ARG  33          HH1       ARG  33  26.393  -8.517   2.267
  254   2HH1  ARG  33          HH1       ARG  33  25.392  -8.668   3.674
  255   1HH2  ARG  33          HH2       ARG  33  26.438  -6.354   1.113
  256   2HH2  ARG  33          HH2       ARG  33  25.487  -5.083   1.814
  257    H    GLN  34           H        GLN  34  24.218  -2.659   8.453
  258    HA   GLN  34           HA       GLN  34  26.859  -3.144   9.562
  259   1HB   GLN  34          HB1       GLN  34  24.616  -1.145  10.117
  260   2HB   GLN  34          HB2       GLN  34  25.998  -1.328  11.211
  261   1HG   GLN  34          HG1       GLN  34  27.164  -1.185   8.634
  262   2HG   GLN  34          HG2       GLN  34  25.904   0.038   8.589
  263   1HE2  GLN  34          1HE2      GLN  34  26.130   1.898  10.106
  264   2HE2  GLN  34          2HE2      GLN  34  27.627   2.114  10.994
  265    H    ARG  35           H        ARG  35  23.484  -3.221  10.962
  266    HA   ARG  35           HA       ARG  35  24.371  -4.173  13.424
  267   1HB   ARG  35          HB1       ARG  35  21.961  -3.335  12.331
  268   2HB   ARG  35          HB2       ARG  35  21.638  -5.038  12.627
  269   1HG   ARG  35          HG1       ARG  35  22.414  -4.591  15.052
  270   2HG   ARG  35          HG2       ARG  35  22.598  -2.900  14.605
  271   1HD   ARG  35          HD1       ARG  35  20.342  -2.483  14.434
  272   2HD   ARG  35          HD2       ARG  35  19.934  -4.095  13.893
  273    HE   ARG  35           HE       ARG  35  19.832  -3.107  16.580
  274   1HH1  ARG  35          HH1       ARG  35  19.622  -6.286  18.102
  275   2HH1  ARG  35          HH1       ARG  35  19.447  -4.575  18.330
  276   1HH2  ARG  35          HH2       ARG  35  20.345  -7.109  15.951
  277   2HH2  ARG  35          HH2       ARG  35  20.616  -5.936  14.698
  278    H    TYR  36           H        TYR  36  22.873  -6.044  10.796
  279    HA   TYR  36           HA       TYR  36  23.593  -8.687  11.932
  280   1HB   TYR  36          HB1       TYR  36  21.452  -7.506  10.239
  281   2HB   TYR  36          HB2       TYR  36  22.038  -9.028   9.655
  282    HD1  TYR  36           HD1      TYR  36  21.227 -11.029  10.566
  283    HD2  TYR  36           HD2      TYR  36  20.786  -7.372  12.786
  284    HE1  TYR  36           HE1      TYR  36  19.834 -12.224  12.274
  285    HE2  TYR  36           HE2      TYR  36  19.365  -8.587  14.473
  286    HH   TYR  36           HH       TYR  36  18.717 -12.060  14.262
  287   1HN   NH2  37          HN1       NH2 237  25.831  -7.868  11.466
  288   2HN   NH2  37          HN2       NH2 237  26.452  -8.111   9.844
  Start of MODEL    5
    1   1H    TYR   1          HN1       TYR   1  -4.540 -17.042 -16.770
    2   2H    TYR   1          HN2       TYR   1  -5.187 -18.079 -17.906
    3   3H    TYR   1          HN3       TYR   1  -3.561 -17.886 -17.759
    4    HA   TYR   1           HA       TYR   1  -4.401 -16.661 -19.680
    5   1HB   TYR   1          HB1       TYR   1  -6.044 -15.580 -17.508
    6   2HB   TYR   1          HB2       TYR   1  -5.282 -14.369 -18.516
    7    HD1  TYR   1           HD1      TYR   1  -6.739 -13.459 -20.035
    8    HD2  TYR   1           HD2      TYR   1  -7.064 -17.687 -19.260
    9    HE1  TYR   1           HE1      TYR   1  -8.476 -13.668 -21.818
   10    HE2  TYR   1           HE2      TYR   1  -8.804 -17.849 -21.053
   11    HH   TYR   1           HH       TYR   1  -9.761 -16.843 -22.847
   12    HA   PRO   2           HA       PRO   2  -0.562 -14.625 -18.732
   13   1HB   PRO   2          HB1       PRO   2  -0.571 -12.371 -20.371
   14   2HB   PRO   2          HB2       PRO   2  -0.212 -14.017 -20.925
   15   1HG   PRO   2          HG1       PRO   2  -2.641 -12.430 -21.434
   16   2HG   PRO   2          HG2       PRO   2  -2.004 -13.885 -22.282
   17   1HD   PRO   2          HD1       PRO   2  -4.126 -13.733 -20.294
   18   2HD   PRO   2          HD2       PRO   2  -3.505 -15.192 -21.126
   19    H    SER   3           H        SER   3   0.342 -12.294 -18.066
   20    HA   SER   3           HA       SER   3  -1.583 -11.152 -16.113
   21   1HB   SER   3          HB1       SER   3   0.594 -10.449 -15.021
   22   2HB   SER   3          HB2       SER   3   0.413 -12.205 -15.243
   23    HG   SER   3           HG       SER   3   1.759 -10.605 -17.130
   24    H    LYS   4           H        LYS   4  -1.211  -8.707 -15.797
   25    HA   LYS   4           HA       LYS   4  -0.490  -7.370 -18.348
   26   1HB   LYS   4          HB1       LYS   4  -2.905  -7.400 -17.172
   27   2HB   LYS   4          HB2       LYS   4  -2.236  -5.972 -16.391
   28   1HG   LYS   4          HG1       LYS   4  -2.544  -4.737 -18.269
   29   2HG   LYS   4          HG2       LYS   4  -1.635  -5.863 -19.245
   30   1HD   LYS   4          HD1       LYS   4  -3.639  -6.196 -20.322
   31   2HD   LYS   4          HD2       LYS   4  -3.871  -7.357 -19.041
   32   1HE   LYS   4          HE1       LYS   4  -5.873  -6.103 -18.995
   33   2HE   LYS   4          HE2       LYS   4  -4.920  -5.421 -17.660
   34   1HZ   LYS   4          HZ1       LYS   4  -4.246  -3.649 -19.259
   35   2HZ   LYS   4          HZ2       LYS   4  -5.296  -4.260 -20.361
   36   3HZ   LYS   4          HZ3       LYS   4  -5.865  -3.656 -18.955
   37    HA   PRO   5           HA       PRO   5   2.775  -5.977 -15.386
   38   1HB   PRO   5          HB1       PRO   5   4.805  -5.916 -17.249
   39   2HB   PRO   5          HB2       PRO   5   4.374  -7.387 -16.336
   40   1HG   PRO   5          HG1       PRO   5   3.781  -6.727 -19.175
   41   2HG   PRO   5          HG2       PRO   5   4.015  -8.332 -18.408
   42   1HD   PRO   5          HD1       PRO   5   1.546  -7.002 -19.033
   43   2HD   PRO   5          HD2       PRO   5   1.745  -8.529 -18.123
   44    H    ASP   6           H        ASP   6   4.343  -4.100 -15.982
   45    HA   ASP   6           HA       ASP   6   4.496  -1.869 -16.299
   46   1HB   ASP   6          HB1       ASP   6   3.064  -2.486 -18.858
   47   2HB   ASP   6          HB2       ASP   6   3.745  -0.928 -18.446
   48    H    ASN   7           H        ASN   7   3.168   0.209 -16.605
   49    HA   ASN   7           HA       ASN   7   1.619   1.565 -15.681
   50   1HB   ASN   7          HB1       ASN   7   0.214  -0.693 -16.913
   51   2HB   ASN   7          HB2       ASN   7  -0.749  -0.044 -15.604
   52   1HD2  ASN   7          HD2       ASN   7  -0.452   0.187 -18.780
   53   2HD2  ASN   7          HD2       ASN   7  -0.732   1.918 -19.020
   54    HA   PRO   8           HA       PRO   8   1.925  -0.213 -11.484
   55   1HB   PRO   8          HB1       PRO   8   2.668   2.104 -10.141
   56   2HB   PRO   8          HB2       PRO   8   3.773   0.903 -10.837
   57   1HG   PRO   8          HG1       PRO   8   3.106   3.589 -11.881
   58   2HG   PRO   8          HG2       PRO   8   4.529   2.572 -12.193
   59   1HD   PRO   8          HD1       PRO   8   2.221   2.929 -13.859
   60   2HD   PRO   8          HD2       PRO   8   3.571   1.810 -14.173
   61    H    GLY   9           H        GLY   9   0.702   3.144 -11.857
   62   1HA   GLY   9          HA1       GLY   9  -1.634   3.702 -11.779
   63   2HA   GLY   9          HA2       GLY   9  -1.939   2.324 -10.683
   64    H    GLU  10           H        GLU  10  -0.193   2.441  -8.740
   65    HA   GLU  10           HA       GLU  10   0.356   3.394  -6.791
   66   1HB   GLU  10          HB1       GLU  10   0.746   5.839  -8.597
   67   2HB   GLU  10          HB2       GLU  10   0.945   5.945  -6.870
   68   1HG   GLU  10          HG1       GLU  10   2.852   4.774  -6.801
   69   2HG   GLU  10          HG2       GLU  10   2.369   3.646  -8.063
   70    H    ASP  11           H        ASP  11  -2.258   2.833  -6.962
   71    HA   ASP  11           HA       ASP  11  -3.431   4.657  -5.165
   72   1HB   ASP  11          HB1       ASP  11  -3.742   5.860  -7.527
   73   2HB   ASP  11          HB2       ASP  11  -4.984   4.691  -7.789
   74    H    ALA  12           H        ALA  12  -3.855   2.622  -4.045
   75    HA   ALA  12           HA       ALA  12  -6.238   1.278  -4.820
   76   1HB   ALA  12          HB1       ALA  12  -3.818  -0.511  -4.971
   77   2HB   ALA  12          HB2       ALA  12  -5.485  -0.873  -5.437
   78   3HB   ALA  12          HB3       ALA  12  -4.495   0.217  -6.436
   79    HA   PRO  13           HA       PRO  13  -5.958   0.221  -0.535
   80   1HB   PRO  13          HB1       PRO  13  -7.587  -2.052  -0.365
   81   2HB   PRO  13          HB2       PRO  13  -8.170  -0.370  -0.401
   82   1HG   PRO  13          HG1       PRO  13  -8.321  -2.369  -2.530
   83   2HG   PRO  13          HG2       PRO  13  -9.276  -0.902  -2.314
   84   1HD   PRO  13          HD1       PRO  13  -7.011  -1.336  -4.058
   85   2HD   PRO  13          HD2       PRO  13  -7.912   0.180  -3.827
   86    H    ALA  14           H        ALA  14  -4.415  -0.875   0.598
   87    HA   ALA  14           HA       ALA  14  -3.177  -2.521   1.455
   88   1HB   ALA  14          HB1       ALA  14  -3.852  -4.519  -0.720
   89   2HB   ALA  14          HB2       ALA  14  -3.219  -4.789   0.900
   90   3HB   ALA  14          HB3       ALA  14  -4.903  -4.237   0.702
   91    H    GLU  15           H        GLU  15  -3.025  -2.665  -2.136
   92    HA   GLU  15           HA       GLU  15  -0.350  -2.998  -2.381
   93   1HB   GLU  15          HB1       GLU  15  -2.231  -2.893  -4.166
   94   2HB   GLU  15          HB2       GLU  15  -1.920  -1.172  -4.244
   95   1HG   GLU  15          HG1       GLU  15  -0.020  -1.478  -5.489
   96   2HG   GLU  15          HG2       GLU  15   0.562  -2.783  -4.437
   97    H    ASP  16           H        ASP  16  -2.061   0.054  -1.743
   98    HA   ASP  16           HA       ASP  16   0.084   1.822  -1.954
   99   1HB   ASP  16          HB1       ASP  16  -2.282   2.472  -1.524
  100   2HB   ASP  16          HB2       ASP  16  -2.224   1.757   0.082
  101    H    LEU  17           H        LEU  17  -0.907  -0.137   0.820
  102    HA   LEU  17           HA       LEU  17   1.124   0.920   2.564
  103   1HB   LEU  17          HB1       LEU  17   0.233  -0.414   4.129
  104   2HB   LEU  17          HB2       LEU  17  -1.073  -0.639   2.975
  105    HG   LEU  17           HG       LEU  17   0.389  -2.735   2.187
  106   1HD1  LEU  17          HD1       LEU  17   1.647  -3.762   3.925
  107   2HD1  LEU  17          HD1       LEU  17   2.340  -2.172   3.744
  108   3HD1  LEU  17          HD1       LEU  17   1.197  -2.466   5.075
  109   1HD2  LEU  17          HD2       LEU  17  -0.742  -4.086   3.877
  110   2HD2  LEU  17          HD2       LEU  17  -1.113  -2.667   4.846
  111   3HD2  LEU  17          HD2       LEU  17  -1.849  -2.915   3.206
  112    H    ALA  18           H        ALA  18   1.032  -1.702   0.164
  113    HA   ALA  18           HA       ALA  18   3.478  -2.898   0.857
  114   1HB   ALA  18          HB1       ALA  18   2.650  -2.685  -2.054
  115   2HB   ALA  18          HB2       ALA  18   3.416  -3.968  -1.200
  116   3HB   ALA  18          HB3       ALA  18   1.654  -3.616  -0.921
  117    H    ARG  19           H        ARG  19   2.810   0.077  -0.764
  118    HA   ARG  19           HA       ARG  19   5.216   0.582  -2.212
  119   1HB   ARG  19          HB1       ARG  19   2.907   1.794  -2.265
  120   2HB   ARG  19          HB2       ARG  19   3.495   2.636  -0.816
  121   1HG   ARG  19          HG1       ARG  19   5.616   3.106  -2.368
  122   2HG   ARG  19          HG2       ARG  19   4.439   2.799  -3.660
  123   1HD   ARG  19          HD1       ARG  19   4.498   5.184  -3.156
  124   2HD   ARG  19          HD2       ARG  19   2.941   4.506  -2.650
  125    HE   ARG  19           HE       ARG  19   5.013   4.538  -0.560
  126   1HH1  ARG  19          HH1       ARG  19   3.387   7.082   1.253
  127   2HH1  ARG  19          HH1       ARG  19   4.567   5.799   1.312
  128   1HH2  ARG  19          HH2       ARG  19   2.073   7.383  -0.726
  129   2HH2  ARG  19          HH2       ARG  19   2.362   6.317  -2.040
  130    H    TYR  20           H        TYR  20   4.012   1.639   1.019
  131    HA   TYR  20           HA       TYR  20   6.413   2.932   1.752
  132   1HB   TYR  20          HB1       TYR  20   5.363   3.418   3.725
  133   2HB   TYR  20          HB2       TYR  20   3.929   2.807   2.908
  134    HD1  TYR  20           HD1      TYR  20   2.667   1.209   4.000
  135    HD2  TYR  20           HD2      TYR  20   6.664   1.908   5.363
  136    HE1  TYR  20           HE1      TYR  20   2.429  -0.617   5.660
  137    HE2  TYR  20           HE2      TYR  20   6.353   0.163   7.108
  138    HH   TYR  20           HH       TYR  20   3.586  -0.963   8.092
  139    H    TYR  21           H        TYR  21   5.425  -0.348   1.823
  140    HA   TYR  21           HA       TYR  21   7.361  -1.395   3.637
  141   1HB   TYR  21          HB1       TYR  21   5.259  -2.400   2.124
  142   2HB   TYR  21          HB2       TYR  21   6.624  -3.013   1.177
  143    HD1  TYR  21           HD1      TYR  21   6.947  -5.322   1.699
  144    HD2  TYR  21           HD2      TYR  21   5.520  -2.629   4.693
  145    HE1  TYR  21           HE1      TYR  21   7.213  -7.103   3.363
  146    HE2  TYR  21           HE2      TYR  21   5.817  -4.411   6.390
  147    HH   TYR  21           HH       TYR  21   6.694  -7.718   5.594
  148    H    SER  22           H        SER  22   7.746  -0.869   0.028
  149    HA   SER  22           HA       SER  22  10.210  -1.965  -0.259
  150   1HB   SER  22          HB1       SER  22   9.140   0.689  -1.384
  151   2HB   SER  22          HB2       SER  22  10.583  -0.272  -1.958
  152    HG   SER  22           HG       SER  22   8.028  -0.598  -2.688
  153    H    ALA  23           H        ALA  23   9.382   1.264   0.989
  154    HA   ALA  23           HA       ALA  23  12.070   2.337   1.090
  155   1HB   ALA  23          HB1       ALA  23   9.575   3.068   2.720
  156   2HB   ALA  23          HB2       ALA  23  11.097   4.004   2.648
  157   3HB   ALA  23          HB3       ALA  23  10.072   3.822   1.214
  158    H    LEU  24           H        LEU  24   9.853   0.721   3.441
  159    HA   LEU  24           HA       LEU  24  11.731   0.689   5.548
  160   1HB   LEU  24          HB1       LEU  24   9.327  -1.035   4.881
  161   2HB   LEU  24          HB2       LEU  24  10.472  -1.523   6.133
  162    HG   LEU  24           HG       LEU  24   8.618   0.849   6.117
  163   1HD1  LEU  24          HD1       LEU  24   8.021  -1.343   7.061
  164   2HD1  LEU  24          HD1       LEU  24   9.468  -1.314   8.109
  165   3HD1  LEU  24          HD1       LEU  24   8.147  -0.170   8.396
  166   1HD2  LEU  24          HD2       LEU  24   9.705   1.512   8.263
  167   2HD2  LEU  24          HD2       LEU  24  11.133   0.572   7.761
  168   3HD2  LEU  24          HD2       LEU  24  10.568   1.998   6.800
  169    H    ARG  25           H        ARG  25  11.295  -1.597   2.848
  170    HA   ARG  25           HA       ARG  25  13.235  -3.343   3.886
  171   1HB   ARG  25          HB1       ARG  25  11.968  -4.244   1.987
  172   2HB   ARG  25          HB2       ARG  25  12.216  -2.782   1.074
  173   1HG   ARG  25          HG1       ARG  25  14.362  -3.205   0.445
  174   2HG   ARG  25          HG2       ARG  25  14.655  -4.405   1.717
  175   1HD   ARG  25          HD1       ARG  25  13.880  -6.127   0.409
  176   2HD   ARG  25          HD2       ARG  25  12.496  -5.171  -0.134
  177    HE   ARG  25           HE       ARG  25  13.607  -4.294  -1.920
  178   1HH1  ARG  25          HH1       ARG  25  16.796  -4.579  -3.242
  179   2HH1  ARG  25          HH1       ARG  25  15.170  -4.804  -3.653
  180   1HH2  ARG  25          HH2       ARG  25  17.344  -5.570  -1.105
  181   2HH2  ARG  25          HH2       ARG  25  16.103  -5.666   0.105
  182    H    HIS  26           H        HIS  26  13.651  -0.580   1.679
  183    HA   HIS  26           HA       HIS  26  16.374  -0.983   1.183
  184   1HB   HIS  26          HB1       HIS  26  14.735   0.824   0.251
  185   2HB   HIS  26          HB2       HIS  26  15.099   1.755   1.709
  186    HD1  HIS  26           HD1      HIS  26  17.544  -0.112  -0.698
  187    HD2  HIS  26           HD2      HIS  26  16.760   3.610   1.111
  188    HE1  HIS  26           HE1      HIS  26  19.428   1.463  -1.428
  189    H    TYR  27           H        TYR  27  14.755   0.580   3.922
  190    HA   TYR  27           HA       TYR  27  17.154   1.141   5.369
  191   1HB   TYR  27          HB1       TYR  27  14.245   0.920   6.037
  192   2HB   TYR  27          HB2       TYR  27  15.348   0.597   7.344
  193    HD1  TYR  27           HD1      TYR  27  15.983   2.327   8.707
  194    HD2  TYR  27           HD2      TYR  27  14.976   3.158   4.601
  195    HE1  TYR  27           HE1      TYR  27  16.270   4.763   9.128
  196    HE2  TYR  27           HE2      TYR  27  15.252   5.599   5.038
  197    HH   TYR  27           HH       TYR  27  15.192   7.166   6.777
  198    H    ILE  28           H        ILE  28  14.854  -1.547   6.008
  199    HA   ILE  28           HA       ILE  28  16.464  -2.737   7.865
  200    HB   ILE  28           HB       ILE  28  14.342  -3.683   6.033
  201   1HG1  ILE  28          1HG1      ILE  28  13.222  -4.122   8.213
  202   2HG1  ILE  28          2HG1      ILE  28  14.766  -3.931   9.068
  203   1HG2  ILE  28          1HG2      ILE  28  16.095  -5.544   7.652
  204   2HG2  ILE  28          2HG2      ILE  28  14.412  -5.923   7.317
  205   3HG2  ILE  28          3HG2      ILE  28  15.532  -5.729   5.961
  206   1HD1  ILE  28          1HD1      ILE  28  13.319  -1.644   7.651
  207   2HD1  ILE  28          2HD1      ILE  28  13.197  -2.057   9.360
  208   3HD1  ILE  28          3HD1      ILE  28  14.748  -1.535   8.728
  209    H    ASN  29           H        ASN  29  16.912  -2.806   4.474
  210    HA   ASN  29           HA       ASN  29  18.820  -4.970   4.191
  211   1HB   ASN  29          HB1       ASN  29  17.713  -4.134   2.268
  212   2HB   ASN  29          HB2       ASN  29  18.100  -2.486   2.618
  213   1HD2  ASN  29          HD2       ASN  29  19.776  -1.543   1.726
  214   2HD2  ASN  29          HD2       ASN  29  21.081  -2.350   0.865
  215    H    LEU  30           H        LEU  30  19.147  -1.493   4.568
  216    HA   LEU  30           HA       LEU  30  22.060  -1.691   4.758
  217   1HB   LEU  30          HB1       LEU  30  22.199   0.689   4.922
  218   2HB   LEU  30          HB2       LEU  30  21.178   0.163   3.569
  219    HG   LEU  30           HG       LEU  30  19.211   0.667   4.949
  220   1HD1  LEU  30          HD1       LEU  30  19.356   1.225   7.097
  221   2HD1  LEU  30          HD1       LEU  30  21.139   1.402   7.029
  222   3HD1  LEU  30          HD1       LEU  30  20.081   2.744   6.638
  223   1HD2  LEU  30          HD2       LEU  30  20.559   3.303   4.559
  224   2HD2  LEU  30          HD2       LEU  30  20.566   2.209   3.190
  225   3HD2  LEU  30          HD2       LEU  30  19.033   2.651   3.937
  226    H    ILE  31           H        ILE  31  19.469  -1.013   6.963
  227    HA   ILE  31           HA       ILE  31  20.841  -0.434   9.271
  228    HB   ILE  31           HB       ILE  31  18.214  -0.792   8.451
  229   1HG1  ILE  31          1HG1      ILE  31  19.149   0.900  10.076
  230   2HG1  ILE  31          2HG1      ILE  31  17.483   0.340  10.220
  231   1HG2  ILE  31          1HG2      ILE  31  17.126  -2.253  10.047
  232   2HG2  ILE  31          2HG2      ILE  31  18.244  -3.148   9.012
  233   3HG2  ILE  31          3HG2      ILE  31  18.715  -2.818  10.658
  234   1HD1  ILE  31          1HD1      ILE  31  18.001  -1.103  12.069
  235   2HD1  ILE  31          2HD1      ILE  31  19.745  -0.768  11.896
  236   3HD1  ILE  31          3HD1      ILE  31  18.624   0.513  12.417
  237    H    THR  32           H        THR  32  20.052  -3.633   7.755
  238    HA   THR  32           HA       THR  32  21.259  -5.127   9.896
  239    HB   THR  32           HB       THR  32  21.144  -6.988   8.175
  240    HG1  THR  32           HG1      THR  32  20.560  -6.496   6.201
  241   1HG2  THR  32          1HG2      THR  32  18.477  -6.730   8.118
  242   2HG2  THR  32          2HG2      THR  32  19.320  -7.009   9.644
  243   3HG2  THR  32          3HG2      THR  32  18.815  -5.367   9.208
  244    H    ARG  33           H        ARG  33  22.222  -4.267   6.565
  245    HA   ARG  33           HA       ARG  33  24.627  -5.411   6.425
  246   1HB   ARG  33          HB1       ARG  33  23.401  -3.394   5.051
  247   2HB   ARG  33          HB2       ARG  33  24.891  -2.611   5.512
  248   1HG   ARG  33          HG1       ARG  33  25.766  -5.121   4.617
  249   2HG   ARG  33          HG2       ARG  33  24.325  -4.889   3.647
  250   1HD   ARG  33          HD1       ARG  33  25.488  -3.624   2.232
  251   2HD   ARG  33          HD2       ARG  33  25.749  -2.411   3.504
  252    HE   ARG  33           HE       ARG  33  27.628  -4.429   3.989
  253   1HH1  ARG  33          HH1       ARG  33  30.226  -3.440   1.837
  254   2HH1  ARG  33          HH1       ARG  33  29.774  -4.437   3.178
  255   1HH2  ARG  33          HH2       ARG  33  28.535  -2.063   0.790
  256   2HH2  ARG  33          HH2       ARG  33  26.936  -2.109   1.458
  257    H    GLN  34           H        GLN  34  24.061  -2.298   8.060
  258    HA   GLN  34           HA       GLN  34  26.770  -2.009   9.029
  259   1HB   GLN  34          HB1       GLN  34  26.048  -0.069  10.175
  260   2HB   GLN  34          HB2       GLN  34  25.173  -0.105   8.638
  261   1HG   GLN  34          HG1       GLN  34  23.180  -0.878   9.718
  262   2HG   GLN  34          HG2       GLN  34  23.985  -1.072  11.283
  263   1HE2  GLN  34          1HE2      GLN  34  24.430   0.761  12.591
  264   2HE2  GLN  34          2HE2      GLN  34  23.636   2.286  12.242
  265    H    ARG  35           H        ARG  35  23.864  -3.564  10.384
  266    HA   ARG  35           HA       ARG  35  25.102  -3.901  13.055
  267   1HB   ARG  35          HB1       ARG  35  22.306  -4.154  11.935
  268   2HB   ARG  35          HB2       ARG  35  22.722  -5.071  13.352
  269   1HG   ARG  35          HG1       ARG  35  23.082  -3.223  14.704
  270   2HG   ARG  35          HG2       ARG  35  23.415  -2.140  13.336
  271   1HD   ARG  35          HD1       ARG  35  21.024  -2.304  12.650
  272   2HD   ARG  35          HD2       ARG  35  20.698  -3.282  14.075
  273    HE   ARG  35           HE       ARG  35  21.989  -0.713  14.662
  274   1HH1  ARG  35          HH1       ARG  35  19.196   0.766  16.075
  275   2HH1  ARG  35          HH1       ARG  35  20.937   0.676  15.984
  276   1HH2  ARG  35          HH2       ARG  35  18.009  -1.251  15.309
  277   2HH2  ARG  35          HH2       ARG  35  18.931  -2.417  14.441
  278    H    TYR  36           H        TYR  36  23.281  -5.989  10.831
  279    HA   TYR  36           HA       TYR  36  24.055  -8.513  11.965
  280   1HB   TYR  36          HB1       TYR  36  22.338  -7.418   9.876
  281   2HB   TYR  36          HB2       TYR  36  23.255  -8.725   9.194
  282    HD1  TYR  36           HD1      TYR  36  22.749 -11.022   9.810
  283    HD2  TYR  36           HD2      TYR  36  20.765  -7.708  11.715
  284    HE1  TYR  36           HE1      TYR  36  21.103 -12.590  10.837
  285    HE2  TYR  36           HE2      TYR  36  19.089  -9.291  12.699
  286    HH   TYR  36           HH       TYR  36  19.571 -12.828  12.517
  287   1HN   NH2  37          HN1       NH2 237  25.383 -10.081  10.836
  288   2HN   NH2  37          HN2       NH2 237  26.752  -9.513   9.868
  Start of MODEL    6
    1   1H    TYR   1          HN1       TYR   1 -13.690 -24.053  -5.014
    2   2H    TYR   1          HN2       TYR   1 -14.485 -25.353  -5.692
    3   3H    TYR   1          HN3       TYR   1 -15.001 -24.712  -4.290
    4    HA   TYR   1           HA       TYR   1 -13.766 -26.826  -4.100
    5   1HB   TYR   1          HB1       TYR   1 -11.679 -24.870  -4.982
    6   2HB   TYR   1          HB2       TYR   1 -11.243 -25.949  -3.681
    7    HD1  TYR   1           HD1      TYR   1 -13.092 -26.355  -6.975
    8    HD2  TYR   1           HD2      TYR   1 -10.006 -27.783  -4.341
    9    HE1  TYR   1           HE1      TYR   1 -12.496 -28.153  -8.597
   10    HE2  TYR   1           HE2      TYR   1  -9.735 -29.798  -5.777
   11    HH   TYR   1           HH       TYR   1  -9.993 -30.323  -8.189
   12    HA   PRO   2           HA       PRO   2 -14.157 -25.384   0.062
   13   1HB   PRO   2          HB1       PRO   2 -12.592 -27.193   1.494
   14   2HB   PRO   2          HB2       PRO   2 -14.149 -27.605   0.719
   15   1HG   PRO   2          HG1       PRO   2 -11.473 -28.407  -0.161
   16   2HG   PRO   2          HG2       PRO   2 -13.051 -29.207  -0.433
   17   1HD   PRO   2          HD1       PRO   2 -11.598 -27.490  -2.227
   18   2HD   PRO   2          HD2       PRO   2 -13.244 -28.165  -2.484
   19    H    SER   3           H        SER   3 -13.182 -23.483   0.751
   20    HA   SER   3           HA       SER   3 -11.605 -22.072   1.262
   21   1HB   SER   3          HB1       SER   3 -10.218 -24.674   1.959
   22   2HB   SER   3          HB2       SER   3  -9.158 -23.252   1.824
   23    HG   SER   3           HG       SER   3 -10.133 -22.278   3.445
   24    H    LYS   4           H        LYS   4 -11.723 -21.062  -0.746
   25    HA   LYS   4           HA       LYS   4  -9.401 -21.767  -2.487
   26   1HB   LYS   4          HB1       LYS   4 -10.598 -21.066  -4.403
   27   2HB   LYS   4          HB2       LYS   4 -11.533 -22.298  -3.544
   28   1HG   LYS   4          HG1       LYS   4 -12.151 -19.476  -2.779
   29   2HG   LYS   4          HG2       LYS   4 -12.385 -19.807  -4.467
   30   1HD   LYS   4          HD1       LYS   4 -13.863 -21.782  -4.053
   31   2HD   LYS   4          HD2       LYS   4 -13.667 -21.559  -2.338
   32   1HE   LYS   4          HE1       LYS   4 -15.589 -20.316  -2.540
   33   2HE   LYS   4          HE2       LYS   4 -14.509 -18.992  -2.939
   34   1HZ   LYS   4          HZ1       LYS   4 -15.117 -19.029  -5.092
   35   2HZ   LYS   4          HZ2       LYS   4 -15.488 -20.605  -5.162
   36   3HZ   LYS   4          HZ3       LYS   4 -16.510 -19.617  -4.427
   37    HA   PRO   5           HA       PRO   5  -8.033 -17.587  -1.713
   38   1HB   PRO   5          HB1       PRO   5  -6.591 -17.105  -4.031
   39   2HB   PRO   5          HB2       PRO   5  -6.107 -18.181  -2.688
   40   1HG   PRO   5          HG1       PRO   5  -6.955 -19.006  -5.343
   41   2HG   PRO   5          HG2       PRO   5  -5.861 -19.818  -4.157
   42   1HD   PRO   5          HD1       PRO   5  -8.623 -20.322  -4.624
   43   2HD   PRO   5          HD2       PRO   5  -7.605 -20.987  -3.307
   44    H    ASP   6           H        ASP   6 -10.388 -17.021  -1.837
   45    HA   ASP   6           HA       ASP   6 -11.556 -15.916  -4.150
   46   1HB   ASP   6          HB1       ASP   6 -13.073 -14.724  -2.587
   47   2HB   ASP   6          HB2       ASP   6 -12.892 -16.436  -2.213
   48    H    ASN   7           H        ASN   7 -11.979 -13.634  -4.548
   49    HA   ASN   7           HA       ASN   7  -9.506 -12.136  -4.796
   50   1HB   ASN   7          HB1       ASN   7 -12.436 -11.497  -5.408
   51   2HB   ASN   7          HB2       ASN   7 -11.138 -10.319  -5.658
   52   1HD2  ASN   7          HD2       ASN   7 -10.088 -10.283  -7.636
   53   2HD2  ASN   7          HD2       ASN   7 -10.009 -11.662  -8.686
   54    HA   PRO   8           HA       PRO   8  -9.924  -9.933  -0.988
   55   1HB   PRO   8          HB1       PRO   8  -8.483  -7.624  -1.481
   56   2HB   PRO   8          HB2       PRO   8  -7.757  -9.235  -1.180
   57   1HG   PRO   8          HG1       PRO   8  -8.136  -7.876  -3.744
   58   2HG   PRO   8          HG2       PRO   8  -6.775  -8.962  -3.239
   59   1HD   PRO   8          HD1       PRO   8  -9.001  -9.603  -4.897
   60   2HD   PRO   8          HD2       PRO   8  -7.957 -10.785  -4.032
   61    H    GLY   9           H        GLY   9 -10.662  -8.085  -3.980
   62   1HA   GLY   9          HA1       GLY   9 -13.066  -7.385  -4.129
   63   2HA   GLY   9          HA2       GLY   9 -12.872  -6.629  -2.511
   64    H    GLU  10           H        GLU  10 -11.939  -4.582  -2.423
   65    HA   GLU  10           HA       GLU  10 -10.050  -3.489  -4.261
   66   1HB   GLU  10          HB1       GLU  10 -11.575  -1.670  -5.068
   67   2HB   GLU  10          HB2       GLU  10 -11.823  -3.244  -5.850
   68   1HG   GLU  10          HG1       GLU  10 -13.599  -2.334  -3.549
   69   2HG   GLU  10          HG2       GLU  10 -13.894  -1.865  -5.223
   70    H    ASP  11           H        ASP  11  -9.118  -1.739  -3.180
   71    HA   ASP  11           HA       ASP  11  -8.729  -0.079  -1.753
   72   1HB   ASP  11          HB1       ASP  11 -11.010   0.749  -2.568
   73   2HB   ASP  11          HB2       ASP  11 -11.696   0.087  -1.035
   74    H    ALA  12           H        ALA  12  -7.522  -1.508  -0.432
   75    HA   ALA  12           HA       ALA  12  -8.764  -1.984   2.200
   76   1HB   ALA  12          HB1       ALA  12  -7.361  -4.417   1.273
   77   2HB   ALA  12          HB2       ALA  12  -8.923  -4.205   2.031
   78   3HB   ALA  12          HB3       ALA  12  -8.771  -4.034   0.291
   79    HA   PRO  13           HA       PRO  13  -4.514  -1.476   3.568
   80   1HB   PRO  13          HB1       PRO  13  -4.116  -3.611   5.382
   81   2HB   PRO  13          HB2       PRO  13  -4.911  -2.123   5.746
   82   1HG   PRO  13          HG1       PRO  13  -6.058  -4.801   5.267
   83   2HG   PRO  13          HG2       PRO  13  -6.818  -3.430   6.137
   84   1HD   PRO  13          HD1       PRO  13  -7.285  -4.363   3.466
   85   2HD   PRO  13          HD2       PRO  13  -8.026  -2.919   4.224
   86    H    ALA  14           H        ALA  14  -2.563  -3.048   4.178
   87    HA   ALA  14           HA       ALA  14  -0.974  -4.468   3.584
   88   1HB   ALA  14          HB1       ALA  14  -2.895  -5.993   1.795
   89   2HB   ALA  14          HB2       ALA  14  -1.351  -6.550   2.566
   90   3HB   ALA  14          HB3       ALA  14  -2.736  -6.219   3.562
   91    H    GLU  15           H        GLU  15  -2.810  -3.975   0.513
   92    HA   GLU  15           HA       GLU  15  -0.713  -3.677  -1.171
   93   1HB   GLU  15          HB1       GLU  15  -3.475  -3.441  -1.269
   94   2HB   GLU  15          HB2       GLU  15  -2.979  -1.824  -1.762
   95   1HG   GLU  15          HG1       GLU  15  -1.771  -4.337  -3.034
   96   2HG   GLU  15          HG2       GLU  15  -3.368  -3.746  -3.495
   97    H    ASP  16           H        ASP  16  -2.288  -1.148   0.831
   98    HA   ASP  16           HA       ASP  16  -0.597   0.960   0.032
   99   1HB   ASP  16          HB1       ASP  16  -2.757   0.925   1.575
  100   2HB   ASP  16          HB2       ASP  16  -1.646   0.911   2.913
  101    H    LEU  17           H        LEU  17  -0.399  -1.263   2.839
  102    HA   LEU  17           HA       LEU  17   1.876  -0.146   4.056
  103   1HB   LEU  17          HB1       LEU  17   1.323  -1.634   5.590
  104   2HB   LEU  17          HB2       LEU  17   0.125  -2.347   4.486
  105    HG   LEU  17           HG       LEU  17   1.873  -3.868   3.696
  106   1HD1  LEU  17          HD1       LEU  17   4.045  -3.418   4.019
  107   2HD1  LEU  17          HD1       LEU  17   3.639  -2.189   5.285
  108   3HD1  LEU  17          HD1       LEU  17   3.805  -3.913   5.691
  109   1HD2  LEU  17          HD2       LEU  17   0.397  -4.648   5.471
  110   2HD2  LEU  17          HD2       LEU  17   2.016  -5.339   5.624
  111   3HD2  LEU  17          HD2       LEU  17   1.538  -3.969   6.675
  112    H    ALA  18           H        ALA  18   1.489  -2.381   1.356
  113    HA   ALA  18           HA       ALA  18   4.069  -3.387   1.094
  114   1HB   ALA  18          HB1       ALA  18   3.295  -4.300  -0.835
  115   2HB   ALA  18          HB2       ALA  18   1.709  -3.689  -0.333
  116   3HB   ALA  18          HB3       ALA  18   2.676  -2.754  -1.463
  117    H    ARG  19           H        ARG  19   2.696  -0.263   0.137
  118    HA   ARG  19           HA       ARG  19   4.807   0.746  -1.460
  119   1HB   ARG  19          HB1       ARG  19   2.466   1.709  -1.109
  120   2HB   ARG  19          HB2       ARG  19   3.039   2.277   0.452
  121   1HG   ARG  19          HG1       ARG  19   3.591   4.143  -0.620
  122   2HG   ARG  19          HG2       ARG  19   5.077   3.252  -1.010
  123   1HD   ARG  19          HD1       ARG  19   4.583   3.150  -3.237
  124   2HD   ARG  19          HD2       ARG  19   2.931   2.681  -2.930
  125    HE   ARG  19           HE       ARG  19   3.805   5.294  -3.602
  126   1HH1  ARG  19          HH1       ARG  19   0.720   6.753  -2.954
  127   2HH1  ARG  19          HH1       ARG  19   2.316   6.988  -3.625
  128   1HH2  ARG  19          HH2       ARG  19   0.231   4.695  -1.700
  129   2HH2  ARG  19          HH2       ARG  19   1.430   3.460  -1.757
  130    H    TYR  20           H        TYR  20   4.031   1.331   2.009
  131    HA   TYR  20           HA       TYR  20   6.448   2.632   2.644
  132   1HB   TYR  20          HB1       TYR  20   4.684   2.954   4.114
  133   2HB   TYR  20          HB2       TYR  20   4.250   1.247   4.195
  134    HD1  TYR  20           HD1      TYR  20   7.062   3.581   5.160
  135    HD2  TYR  20           HD2      TYR  20   4.993  -0.077   5.946
  136    HE1  TYR  20           HE1      TYR  20   8.241   3.367   7.355
  137    HE2  TYR  20           HE2      TYR  20   6.011  -0.165   8.230
  138    HH   TYR  20           HH       TYR  20   7.371   0.842   9.694
  139    H    TYR  21           H        TYR  21   5.697  -0.688   2.246
  140    HA   TYR  21           HA       TYR  21   7.778  -1.845   3.734
  141   1HB   TYR  21          HB1       TYR  21   5.622  -2.766   2.317
  142   2HB   TYR  21          HB2       TYR  21   6.909  -3.273   1.253
  143    HD1  TYR  21           HD1      TYR  21   7.087  -5.587   1.549
  144    HD2  TYR  21           HD2      TYR  21   6.309  -3.102   4.964
  145    HE1  TYR  21           HE1      TYR  21   7.041  -7.582   3.004
  146    HE2  TYR  21           HE2      TYR  21   6.478  -5.094   6.448
  147    HH   TYR  21           HH       TYR  21   7.176  -8.355   5.121
  148    H    SER  22           H        SER  22   7.741  -0.737   0.258
  149    HA   SER  22           HA       SER  22  10.174  -1.704  -0.422
  150   1HB   SER  22          HB1       SER  22   8.570   0.777  -1.170
  151   2HB   SER  22          HB2       SER  22  10.218   0.637  -1.852
  152    HG   SER  22           HG       SER  22   9.547  -1.113  -2.974
  153    H    ALA  23           H        ALA  23   9.351   1.356   1.129
  154    HA   ALA  23           HA       ALA  23  12.098   2.390   1.116
  155   1HB   ALA  23          HB1       ALA  23   9.814   3.215   2.953
  156   2HB   ALA  23          HB2       ALA  23  11.258   4.158   2.499
  157   3HB   ALA  23          HB3       ALA  23  10.019   3.801   1.285
  158    H    LEU  24           H        LEU  24   9.949   0.732   3.491
  159    HA   LEU  24           HA       LEU  24  11.860   0.542   5.510
  160   1HB   LEU  24          HB1       LEU  24   9.435  -1.079   4.752
  161   2HB   LEU  24          HB2       LEU  24  10.597  -1.827   5.851
  162    HG   LEU  24           HG       LEU  24   8.852   0.548   6.337
  163   1HD1  LEU  24          HD1       LEU  24   9.428  -2.148   7.629
  164   2HD1  LEU  24          HD1       LEU  24   8.638  -0.868   8.519
  165   3HD1  LEU  24          HD1       LEU  24   7.903  -1.485   7.038
  166   1HD2  LEU  24          HD2       LEU  24  11.477  -0.039   7.734
  167   2HD2  LEU  24          HD2       LEU  24  10.827   1.525   7.103
  168   3HD2  LEU  24          HD2       LEU  24  10.137   0.808   8.549
  169    H    ARG  25           H        ARG  25  11.426  -1.550   2.683
  170    HA   ARG  25           HA       ARG  25  13.273  -3.505   3.559
  171   1HB   ARG  25          HB1       ARG  25  12.048  -4.091   1.539
  172   2HB   ARG  25          HB2       ARG  25  12.337  -2.566   0.823
  173   1HG   ARG  25          HG1       ARG  25  14.650  -2.954   0.380
  174   2HG   ARG  25          HG2       ARG  25  14.625  -4.489   1.267
  175   1HD   ARG  25          HD1       ARG  25  13.489  -5.561  -0.500
  176   2HD   ARG  25          HD2       ARG  25  12.743  -4.046  -1.042
  177    HE   ARG  25           HE       ARG  25  15.551  -3.811  -1.392
  178   1HH1  ARG  25          HH1       ARG  25  15.506  -4.649  -4.815
  179   2HH1  ARG  25          HH1       ARG  25  16.412  -3.888  -3.538
  180   1HH2  ARG  25          HH2       ARG  25  13.315  -5.519  -4.351
  181   2HH2  ARG  25          HH2       ARG  25  12.736  -5.454  -2.735
  182    H    HIS  26           H        HIS  26  13.743  -0.451   1.632
  183    HA   HIS  26           HA       HIS  26  16.466  -0.897   1.184
  184   1HB   HIS  26          HB1       HIS  26  14.969   0.964   0.221
  185   2HB   HIS  26          HB2       HIS  26  15.202   1.844   1.706
  186    HD1  HIS  26           HD1      HIS  26  17.930   0.074  -0.454
  187    HD2  HIS  26           HD2      HIS  26  16.812   3.793   1.168
  188    HE1  HIS  26           HE1      HIS  26  19.802   1.715  -1.043
  189    H    TYR  27           H        TYR  27  14.829   0.715   3.883
  190    HA   TYR  27           HA       TYR  27  17.198   1.249   5.419
  191   1HB   TYR  27          HB1       TYR  27  14.249   1.169   5.915
  192   2HB   TYR  27          HB2       TYR  27  15.272   0.855   7.307
  193    HD1  TYR  27           HD1      TYR  27  14.423   3.425   4.752
  194    HD2  TYR  27           HD2      TYR  27  16.706   2.506   8.285
  195    HE1  TYR  27           HE1      TYR  27  14.812   5.862   5.150
  196    HE2  TYR  27           HE2      TYR  27  17.056   4.938   8.693
  197    HH   TYR  27           HH       TYR  27  15.889   7.086   8.147
  198    H    ILE  28           H        ILE  28  14.797  -1.232   6.163
  199    HA   ILE  28           HA       ILE  28  16.279  -2.578   7.978
  200    HB   ILE  28           HB       ILE  28  14.215  -3.767   6.164
  201   1HG1  ILE  28          1HG1      ILE  28  14.112  -2.576   8.978
  202   2HG1  ILE  28          2HG1      ILE  28  13.369  -1.925   7.529
  203   1HG2  ILE  28          1HG2      ILE  28  14.650  -5.786   7.028
  204   2HG2  ILE  28          2HG2      ILE  28  15.928  -5.144   8.079
  205   3HG2  ILE  28          3HG2      ILE  28  14.304  -5.179   8.658
  206   1HD1  ILE  28          1HD1      ILE  28  12.166  -4.372   7.547
  207   2HD1  ILE  28          2HD1      ILE  28  12.431  -4.119   9.290
  208   3HD1  ILE  28          3HD1      ILE  28  11.514  -2.937   8.367
  209    H    ASN  29           H        ASN  29  16.695  -2.739   4.553
  210    HA   ASN  29           HA       ASN  29  18.469  -5.040   4.321
  211   1HB   ASN  29          HB1       ASN  29  17.359  -4.171   2.367
  212   2HB   ASN  29          HB2       ASN  29  17.907  -2.558   2.667
  213   1HD2  ASN  29          HD2       ASN  29  19.441  -1.803   1.450
  214   2HD2  ASN  29          HD2       ASN  29  20.697  -2.760   0.680
  215    H    LEU  30           H        LEU  30  18.976  -1.532   4.529
  216    HA   LEU  30           HA       LEU  30  21.890  -1.866   4.584
  217   1HB   LEU  30          HB1       LEU  30  22.167   0.465   4.674
  218   2HB   LEU  30          HB2       LEU  30  21.015  -0.023   3.409
  219    HG   LEU  30           HG       LEU  30  19.189   0.641   4.945
  220   1HD1  LEU  30          HD1       LEU  30  19.520   1.254   7.047
  221   2HD1  LEU  30          HD1       LEU  30  21.303   1.255   6.855
  222   3HD1  LEU  30          HD1       LEU  30  20.357   2.687   6.501
  223   1HD2  LEU  30          HD2       LEU  30  19.044   2.510   3.781
  224   2HD2  LEU  30          HD2       LEU  30  20.556   3.199   4.399
  225   3HD2  LEU  30          HD2       LEU  30  20.591   2.059   3.066
  226    H    ILE  31           H        ILE  31  19.423  -1.014   6.949
  227    HA   ILE  31           HA       ILE  31  20.989  -0.461   9.157
  228    HB   ILE  31           HB       ILE  31  18.322  -0.574   8.504
  229   1HG1  ILE  31          1HG1      ILE  31  19.530   0.902  10.191
  230   2HG1  ILE  31          2HG1      ILE  31  17.804   0.576  10.308
  231   1HG2  ILE  31          1HG2      ILE  31  18.660  -2.744  10.607
  232   2HG2  ILE  31          2HG2      ILE  31  17.132  -1.981  10.084
  233   3HG2  ILE  31          3HG2      ILE  31  18.109  -2.937   8.963
  234   1HD1  ILE  31          1HD1      ILE  31  19.869  -0.971  11.930
  235   2HD1  ILE  31          2HD1      ILE  31  18.990   0.476  12.505
  236   3HD1  ILE  31          3HD1      ILE  31  18.081  -0.980  12.113
  237    H    THR  32           H        THR  32  19.790  -3.608   7.794
  238    HA   THR  32           HA       THR  32  20.946  -5.164   9.920
  239    HB   THR  32           HB       THR  32  20.609  -7.065   8.288
  240    HG1  THR  32           HG1      THR  32  19.158  -6.023   6.503
  241   1HG2  THR  32          1HG2      THR  32  18.797  -6.819   9.723
  242   2HG2  THR  32          2HG2      THR  32  18.384  -5.211   9.151
  243   3HG2  THR  32          3HG2      THR  32  18.026  -6.644   8.158
  244    H    ARG  33           H        ARG  33  22.071  -4.177   6.686
  245    HA   ARG  33           HA       ARG  33  24.309  -5.539   6.343
  246   1HB   ARG  33          HB1       ARG  33  23.268  -3.295   5.354
  247   2HB   ARG  33          HB2       ARG  33  24.826  -2.650   5.923
  248   1HG   ARG  33          HG1       ARG  33  25.999  -4.064   4.401
  249   2HG   ARG  33          HG2       ARG  33  24.615  -5.130   4.190
  250   1HD   ARG  33          HD1       ARG  33  23.644  -3.845   2.570
  251   2HD   ARG  33          HD2       ARG  33  23.888  -2.380   3.498
  252    HE   ARG  33           HE       ARG  33  25.749  -1.822   2.379
  253   1HH1  ARG  33          HH1       ARG  33  27.691  -3.556   0.013
  254   2HH1  ARG  33          HH1       ARG  33  27.418  -2.045   0.827
  255   1HH2  ARG  33          HH2       ARG  33  26.271  -5.454   0.581
  256   2HH2  ARG  33          HH2       ARG  33  25.068  -5.205   1.814
  257    H    GLN  34           H        GLN  34  24.150  -2.645   8.457
  258    HA   GLN  34           HA       GLN  34  26.801  -3.121   9.523
  259   1HB   GLN  34          HB1       GLN  34  25.960  -0.827   9.272
  260   2HB   GLN  34          HB2       GLN  34  24.624  -1.169  10.380
  261   1HG   GLN  34          HG1       GLN  34  26.333  -0.004  11.600
  262   2HG   GLN  34          HG2       GLN  34  26.363  -1.664  12.183
  263   1HE2  GLN  34          1HE2      GLN  34  28.420  -2.755  12.049
  264   2HE2  GLN  34          2HE2      GLN  34  29.782  -2.035  11.217
  265    H    ARG  35           H        ARG  35  23.438  -3.175  10.845
  266    HA   ARG  35           HA       ARG  35  24.206  -3.942  13.409
  267   1HB   ARG  35          HB1       ARG  35  21.992  -2.982  12.613
  268   2HB   ARG  35          HB2       ARG  35  21.507  -4.594  12.130
  269   1HG   ARG  35          HG1       ARG  35  22.560  -4.613  14.860
  270   2HG   ARG  35          HG2       ARG  35  21.341  -3.357  14.697
  271   1HD   ARG  35          HD1       ARG  35  19.666  -4.891  13.945
  272   2HD   ARG  35          HD2       ARG  35  20.800  -6.222  13.799
  273    HE   ARG  35           HE       ARG  35  19.539  -5.148  16.231
  274   1HH1  ARG  35          HH1       ARG  35  21.210  -7.367  18.387
  275   2HH1  ARG  35          HH1       ARG  35  19.946  -6.190  18.236
  276   1HH2  ARG  35          HH2       ARG  35  22.569  -7.876  16.469
  277   2HH2  ARG  35          HH2       ARG  35  22.287  -7.006  15.004
  278    H    TYR  36           H        TYR  36  22.839  -6.021  10.854
  279    HA   TYR  36           HA       TYR  36  23.630  -8.547  12.159
  280   1HB   TYR  36          HB1       TYR  36  21.514  -7.553  10.261
  281   2HB   TYR  36          HB2       TYR  36  22.172  -9.126   9.900
  282    HD1  TYR  36           HD1      TYR  36  22.460 -10.719  11.982
  283    HD2  TYR  36           HD2      TYR  36  19.585  -7.531  11.703
  284    HE1  TYR  36           HE1      TYR  36  21.034 -11.853  13.680
  285    HE2  TYR  36           HE2      TYR  36  18.111  -8.723  13.322
  286    HH   TYR  36           HH       TYR  36  17.747 -10.877  14.328
  287   1HN   NH2  37          HN1       NH2 237  25.860  -7.709  11.698
  288   2HN   NH2  37          HN2       NH2 237  26.498  -8.039  10.080
  Start of MODEL    7
    1   1H    TYR   1          HN1       TYR   1  11.857  -2.839 -16.411
    2   2H    TYR   1          HN2       TYR   1  10.595  -3.876 -16.373
    3   3H    TYR   1          HN3       TYR   1  11.862  -4.182 -17.438
    4    HA   TYR   1           HA       TYR   1  11.212  -2.639 -18.830
    5   1HB   TYR   1          HB1       TYR   1   8.719  -3.760 -17.494
    6   2HB   TYR   1          HB2       TYR   1   8.644  -2.892 -19.008
    7    HD1  TYR   1           HD1      TYR   1   9.191  -6.118 -17.571
    8    HD2  TYR   1           HD2      TYR   1  10.084  -3.647 -21.024
    9    HE1  TYR   1           HE1      TYR   1   9.730  -8.117 -18.893
   10    HE2  TYR   1           HE2      TYR   1  10.552  -5.660 -22.317
   11    HH   TYR   1           HH       TYR   1  11.612  -8.506 -21.004
   12    HA   PRO   2           HA       PRO   2  10.182   1.317 -17.093
   13   1HB   PRO   2          HB1       PRO   2   8.827   2.463 -19.299
   14   2HB   PRO   2          HB2       PRO   2  10.618   2.221 -19.144
   15   1HG   PRO   2          HG1       PRO   2   8.761   0.881 -20.906
   16   2HG   PRO   2          HG2       PRO   2  10.547   1.131 -21.003
   17   1HD   PRO   2          HD1       PRO   2   9.121  -1.141 -20.141
   18   2HD   PRO   2          HD2       PRO   2  10.904  -0.873 -20.088
   19    H    SER   3           H        SER   3   8.676   1.563 -15.556
   20    HA   SER   3           HA       SER   3   6.627   1.511 -14.407
   21   1HB   SER   3          HB1       SER   3   5.689   2.322 -17.231
   22   2HB   SER   3          HB2       SER   3   4.624   2.266 -15.848
   23    HG   SER   3           HG       SER   3   6.213   4.186 -16.508
   24    H    LYS   4           H        LYS   4   7.294  -0.874 -14.463
   25    HA   LYS   4           HA       LYS   4   6.364  -2.906 -15.893
   26   1HB   LYS   4          HB1       LYS   4   7.516  -2.779 -13.574
   27   2HB   LYS   4          HB2       LYS   4   5.868  -3.170 -13.016
   28   1HG   LYS   4          HG1       LYS   4   5.898  -5.267 -13.775
   29   2HG   LYS   4          HG2       LYS   4   6.687  -4.903 -15.292
   30   1HD   LYS   4          HD1       LYS   4   8.800  -5.123 -14.620
   31   2HD   LYS   4          HD2       LYS   4   8.542  -4.719 -12.920
   32   1HE   LYS   4          HE1       LYS   4   7.607  -6.767 -12.298
   33   2HE   LYS   4          HE2       LYS   4   7.262  -7.238 -13.965
   34   1HZ   LYS   4          HZ1       LYS   4   9.999  -6.873 -13.794
   35   2HZ   LYS   4          HZ2       LYS   4   9.633  -7.766 -12.477
   36   3HZ   LYS   4          HZ3       LYS   4   9.203  -8.316 -13.916
   37    HA   PRO   5           HA       PRO   5   2.015  -1.598 -15.670
   38   1HB   PRO   5          HB1       PRO   5   1.341  -3.002 -18.132
   39   2HB   PRO   5          HB2       PRO   5   1.913  -1.309 -17.858
   40   1HG   PRO   5          HG1       PRO   5   3.284  -3.692 -18.921
   41   2HG   PRO   5          HG2       PRO   5   3.629  -1.942 -19.206
   42   1HD   PRO   5          HD1       PRO   5   4.905  -3.794 -17.415
   43   2HD   PRO   5          HD2       PRO   5   5.241  -2.048 -17.657
   44    H    ASP   6           H        ASP   6   0.853  -2.804 -14.195
   45    HA   ASP   6           HA       ASP   6  -0.263  -5.332 -14.853
   46   1HB   ASP   6          HB1       ASP   6   2.226  -5.372 -13.213
   47   2HB   ASP   6          HB2       ASP   6   0.882  -6.245 -12.461
   48    H    ASN   7           H        ASN   7  -2.201  -4.585 -14.156
   49    HA   ASN   7           HA       ASN   7  -3.813  -4.185 -12.714
   50   1HB   ASN   7          HB1       ASN   7  -1.991  -5.437 -10.984
   51   2HB   ASN   7          HB2       ASN   7  -2.422  -3.938 -10.125
   52   1HD2  ASN   7          HD2       ASN   7  -2.907  -6.400  -9.135
   53   2HD2  ASN   7          HD2       ASN   7  -4.679  -6.731  -9.208
   54    HA   PRO   8           HA       PRO   8  -3.099   0.252 -12.435
   55   1HB   PRO   8          HB1       PRO   8  -5.660   1.033 -11.655
   56   2HB   PRO   8          HB2       PRO   8  -5.128   0.697 -13.322
   57   1HG   PRO   8          HG1       PRO   8  -6.883  -0.915 -11.549
   58   2HG   PRO   8          HG2       PRO   8  -6.730  -0.960 -13.333
   59   1HD   PRO   8          HD1       PRO   8  -5.571  -2.729 -11.408
   60   2HD   PRO   8          HD2       PRO   8  -5.327  -2.699 -13.207
   61    H    GLY   9           H        GLY   9  -2.443   1.598 -10.801
   62   1HA   GLY   9          HA1       GLY   9  -3.086   0.926  -7.932
   63   2HA   GLY   9          HA2       GLY   9  -1.452   1.281  -8.610
   64    H    GLU  10           H        GLU  10  -1.006   3.415  -9.131
   65    HA   GLU  10           HA       GLU  10  -1.067   5.738  -8.420
   66   1HB   GLU  10          HB1       GLU  10  -3.316   4.993 -10.363
   67   2HB   GLU  10          HB2       GLU  10  -3.439   6.578  -9.666
   68   1HG   GLU  10          HG1       GLU  10  -1.891   7.490 -10.841
   69   2HG   GLU  10          HG2       GLU  10  -0.742   6.130 -10.541
   70    H    ASP  11           H        ASP  11  -1.198   4.999  -6.222
   71    HA   ASP  11           HA       ASP  11  -2.077   5.419  -4.084
   72   1HB   ASP  11          HB1       ASP  11  -3.279   7.597  -5.785
   73   2HB   ASP  11          HB2       ASP  11  -4.203   7.160  -4.400
   74    H    ALA  12           H        ALA  12  -2.698   3.285  -3.888
   75    HA   ALA  12           HA       ALA  12  -5.622   2.822  -4.377
   76   1HB   ALA  12          HB1       ALA  12  -4.214   0.360  -4.073
   77   2HB   ALA  12          HB2       ALA  12  -5.178   0.974  -5.431
   78   3HB   ALA  12          HB3       ALA  12  -3.438   1.329  -5.349
   79    HA   PRO  13           HA       PRO  13  -5.932   2.377  -0.017
   80   1HB   PRO  13          HB1       PRO  13  -8.120   0.589   0.133
   81   2HB   PRO  13          HB2       PRO  13  -8.184   2.359  -0.129
   82   1HG   PRO  13          HG1       PRO  13  -8.661   0.155  -2.097
   83   2HG   PRO  13          HG2       PRO  13  -9.165   1.874  -2.200
   84   1HD   PRO  13          HD1       PRO  13  -6.984   0.641  -3.524
   85   2HD   PRO  13          HD2       PRO  13  -7.491   2.371  -3.467
   86    H    ALA  14           H        ALA  14  -5.038   1.047   1.468
   87    HA   ALA  14           HA       ALA  14  -4.224  -0.798   2.538
   88   1HB   ALA  14          HB1       ALA  14  -6.310  -2.002   1.506
   89   2HB   ALA  14          HB2       ALA  14  -5.107  -2.710   0.373
   90   3HB   ALA  14          HB3       ALA  14  -4.914  -2.985   2.105
   91    H    GLU  15           H        GLU  15  -3.895  -1.373  -1.047
   92    HA   GLU  15           HA       GLU  15  -1.391  -2.376  -1.012
   93   1HB   GLU  15          HB1       GLU  15  -3.196  -1.437  -2.997
   94   2HB   GLU  15          HB2       GLU  15  -1.720  -0.491  -3.264
   95   1HG   GLU  15          HG1       GLU  15  -0.502  -2.804  -3.052
   96   2HG   GLU  15          HG2       GLU  15  -2.137  -3.458  -3.321
   97    H    ASP  16           H        ASP  16  -2.273   0.887  -0.374
   98    HA   ASP  16           HA       ASP  16   0.140   2.182  -0.888
   99   1HB   ASP  16          HB1       ASP  16  -2.368   2.746   0.454
  100   2HB   ASP  16          HB2       ASP  16  -1.136   3.175   1.524
  101    H    LEU  17           H        LEU  17  -0.495  -0.228   1.565
  102    HA   LEU  17           HA       LEU  17   1.431   0.634   3.397
  103   1HB   LEU  17          HB1       LEU  17   0.422  -0.763   4.687
  104   2HB   LEU  17          HB2       LEU  17  -0.923  -0.702   3.644
  105    HG   LEU  17           HG       LEU  17   1.215  -2.663   3.101
  106   1HD1  LEU  17          HD1       LEU  17   0.577  -4.116   4.872
  107   2HD1  LEU  17          HD1       LEU  17   0.005  -2.657   5.690
  108   3HD1  LEU  17          HD1       LEU  17  -1.057  -3.719   4.710
  109   1HD2  LEU  17          HD2       LEU  17  -0.394  -2.674   1.427
  110   2HD2  LEU  17          HD2       LEU  17  -0.400  -4.214   2.245
  111   3HD2  LEU  17          HD2       LEU  17  -1.687  -3.073   2.613
  112    H    ALA  18           H        ALA  18   0.997  -1.492   0.492
  113    HA   ALA  18           HA       ALA  18   3.518  -2.937   1.055
  114   1HB   ALA  18          HB1       ALA  18   2.747  -4.237  -0.639
  115   2HB   ALA  18          HB2       ALA  18   1.283  -3.210  -0.721
  116   3HB   ALA  18          HB3       ALA  18   2.747  -2.727  -1.620
  117    H    ARG  19           H        ARG  19   2.686   0.199  -0.101
  118    HA   ARG  19           HA       ARG  19   4.982   0.628  -1.802
  119   1HB   ARG  19          HB1       ARG  19   2.579   1.952  -1.367
  120   2HB   ARG  19          HB2       ARG  19   3.702   3.003  -0.468
  121   1HG   ARG  19          HG1       ARG  19   5.189   3.106  -2.489
  122   2HG   ARG  19          HG2       ARG  19   4.052   2.004  -3.273
  123   1HD   ARG  19          HD1       ARG  19   3.250   4.010  -4.107
  124   2HD   ARG  19          HD2       ARG  19   2.233   3.767  -2.652
  125    HE   ARG  19           HE       ARG  19   4.674   5.220  -2.097
  126   1HH1  ARG  19          HH1       ARG  19   3.093   8.320  -1.632
  127   2HH1  ARG  19          HH1       ARG  19   4.592   7.457  -1.608
  128   1HH2  ARG  19          HH2       ARG  19   1.044   7.161  -2.589
  129   2HH2  ARG  19          HH2       ARG  19   1.220   5.533  -2.899
  130    H    TYR  20           H        TYR  20   4.077   1.385   1.544
  131    HA   TYR  20           HA       TYR  20   6.534   2.764   2.222
  132   1HB   TYR  20          HB1       TYR  20   4.704   1.248   4.049
  133   2HB   TYR  20          HB2       TYR  20   5.717   2.632   4.517
  134    HD1  TYR  20           HD1      TYR  20   5.026   4.461   2.220
  135    HD2  TYR  20           HD2      TYR  20   2.502   1.936   4.636
  136    HE1  TYR  20           HE1      TYR  20   3.109   5.916   1.731
  137    HE2  TYR  20           HE2      TYR  20   0.571   3.383   4.113
  138    HH   TYR  20           HH       TYR  20   0.856   6.218   1.933
  139    H    TYR  21           H        TYR  21   5.749  -0.544   1.795
  140    HA   TYR  21           HA       TYR  21   7.643  -1.737   3.607
  141   1HB   TYR  21          HB1       TYR  21   5.581  -2.601   1.945
  142   2HB   TYR  21          HB2       TYR  21   6.971  -2.984   0.967
  143    HD1  TYR  21           HD1      TYR  21   8.504  -4.702   1.755
  144    HD2  TYR  21           HD2      TYR  21   5.110  -3.586   4.105
  145    HE1  TYR  21           HE1      TYR  21   8.608  -6.924   2.959
  146    HE2  TYR  21           HE2      TYR  21   5.286  -5.680   5.390
  147    HH   TYR  21           HH       TYR  21   6.221  -7.911   5.282
  148    H    SER  22           H        SER  22   7.836  -0.677   0.151
  149    HA   SER  22           HA       SER  22  10.243  -1.770  -0.422
  150   1HB   SER  22          HB1       SER  22   8.591   0.535  -1.470
  151   2HB   SER  22          HB2       SER  22  10.304   0.584  -1.747
  152    HG   SER  22           HG       SER  22   8.434  -1.219  -2.702
  153    H    ALA  23           H        ALA  23   9.474   1.342   1.019
  154    HA   ALA  23           HA       ALA  23  12.186   2.330   1.215
  155   1HB   ALA  23          HB1       ALA  23   9.606   3.386   1.648
  156   2HB   ALA  23          HB2       ALA  23  10.280   3.351   3.266
  157   3HB   ALA  23          HB3       ALA  23  11.088   4.244   1.932
  158    H    LEU  24           H        LEU  24  10.014   0.437   3.254
  159    HA   LEU  24           HA       LEU  24  11.777   0.367   5.550
  160   1HB   LEU  24          HB1       LEU  24   9.147  -0.784   4.773
  161   2HB   LEU  24          HB2       LEU  24  10.173  -2.032   5.479
  162    HG   LEU  24           HG       LEU  24   9.100   0.575   6.673
  163   1HD1  LEU  24          HD1       LEU  24   9.044  -2.404   7.426
  164   2HD1  LEU  24          HD1       LEU  24   8.485  -1.094   8.483
  165   3HD1  LEU  24          HD1       LEU  24   7.695  -1.363   6.910
  166   1HD2  LEU  24          HD2       LEU  24  10.521  -0.393   8.775
  167   2HD2  LEU  24          HD2       LEU  24  11.548  -0.946   7.431
  168   3HD2  LEU  24          HD2       LEU  24  11.171   0.781   7.646
  169    H    ARG  25           H        ARG  25  11.483  -1.545   2.643
  170    HA   ARG  25           HA       ARG  25  13.252  -3.580   3.561
  171   1HB   ARG  25          HB1       ARG  25  12.196  -4.119   1.568
  172   2HB   ARG  25          HB2       ARG  25  12.396  -2.563   0.826
  173   1HG   ARG  25          HG1       ARG  25  14.569  -2.886   0.148
  174   2HG   ARG  25          HG2       ARG  25  14.889  -4.211   1.324
  175   1HD   ARG  25          HD1       ARG  25  13.339  -5.617   0.164
  176   2HD   ARG  25          HD2       ARG  25  13.047  -4.384  -1.058
  177    HE   ARG  25           HE       ARG  25  15.894  -5.087  -0.563
  178   1HH1  ARG  25          HH1       ARG  25  16.243  -6.704  -3.693
  179   2HH1  ARG  25          HH1       ARG  25  17.075  -5.983  -2.346
  180   1HH2  ARG  25          HH2       ARG  25  13.804  -6.672  -3.738
  181   2HH2  ARG  25          HH2       ARG  25  13.014  -6.038  -2.384
  182    H    HIS  26           H        HIS  26  13.826  -0.581   1.647
  183    HA   HIS  26           HA       HIS  26  16.603  -0.896   1.307
  184   1HB   HIS  26          HB1       HIS  26  15.065   0.995   0.456
  185   2HB   HIS  26          HB2       HIS  26  15.285   1.785   2.021
  186    HD1  HIS  26           HD1      HIS  26  18.030   0.039  -0.155
  187    HD2  HIS  26           HD2      HIS  26  16.860   3.774   1.399
  188    HE1  HIS  26           HE1      HIS  26  19.958   1.673  -0.628
  189    H    TYR  27           H        TYR  27  14.867   0.583   4.021
  190    HA   TYR  27           HA       TYR  27  17.110   1.266   5.700
  191   1HB   TYR  27          HB1       TYR  27  14.180   1.098   5.919
  192   2HB   TYR  27          HB2       TYR  27  15.041   0.724   7.415
  193    HD1  TYR  27           HD1      TYR  27  15.049   3.299   4.677
  194    HD2  TYR  27           HD2      TYR  27  15.724   2.310   8.815
  195    HE1  TYR  27           HE1      TYR  27  15.356   5.678   5.196
  196    HE2  TYR  27           HE2      TYR  27  15.801   4.766   9.382
  197    HH   TYR  27           HH       TYR  27  15.213   7.092   8.121
  198    H    ILE  28           H        ILE  28  14.693  -1.318   6.248
  199    HA   ILE  28           HA       ILE  28  16.176  -2.713   8.149
  200    HB   ILE  28           HB       ILE  28  14.286  -3.814   6.120
  201   1HG1  ILE  28          1HG1      ILE  28  14.050  -2.756   8.995
  202   2HG1  ILE  28          2HG1      ILE  28  13.334  -2.008   7.579
  203   1HG2  ILE  28          1HG2      ILE  28  14.017  -5.637   7.526
  204   2HG2  ILE  28          2HG2      ILE  28  15.720  -5.625   7.347
  205   3HG2  ILE  28          3HG2      ILE  28  15.032  -5.018   8.876
  206   1HD1  ILE  28          1HD1      ILE  28  12.494  -4.759   8.645
  207   2HD1  ILE  28          2HD1      ILE  28  11.526  -3.306   8.714
  208   3HD1  ILE  28          3HD1      ILE  28  11.893  -3.983   7.130
  209    H    ASN  29           H        ASN  29  16.657  -2.554   4.678
  210    HA   ASN  29           HA       ASN  29  18.378  -4.934   4.415
  211   1HB   ASN  29          HB1       ASN  29  17.298  -4.242   2.418
  212   2HB   ASN  29          HB2       ASN  29  17.776  -2.581   2.622
  213   1HD2  ASN  29          HD2       ASN  29  19.499  -1.700   1.781
  214   2HD2  ASN  29          HD2       ASN  29  20.750  -2.627   0.978
  215    H    LEU  30           H        LEU  30  18.895  -1.414   4.340
  216    HA   LEU  30           HA       LEU  30  21.837  -1.675   4.326
  217   1HB   LEU  30          HB1       LEU  30  21.848   0.762   4.841
  218   2HB   LEU  30          HB2       LEU  30  21.019   0.200   3.319
  219    HG   LEU  30           HG       LEU  30  19.062   0.380   5.190
  220   1HD1  LEU  30          HD1       LEU  30  20.771   2.721   5.928
  221   2HD1  LEU  30          HD1       LEU  30  19.215   2.197   6.640
  222   3HD1  LEU  30          HD1       LEU  30  20.704   1.275   6.897
  223   1HD2  LEU  30          HD2       LEU  30  19.399   1.575   2.802
  224   2HD2  LEU  30          HD2       LEU  30  18.194   2.173   3.924
  225   3HD2  LEU  30          HD2       LEU  30  19.756   2.979   3.829
  226    H    ILE  31           H        ILE  31  19.507  -0.769   6.828
  227    HA   ILE  31           HA       ILE  31  21.187  -0.427   8.924
  228    HB   ILE  31           HB       ILE  31  18.429  -0.566   8.624
  229   1HG1  ILE  31          1HG1      ILE  31  20.004   0.563  10.436
  230   2HG1  ILE  31          2HG1      ILE  31  18.242   0.491  10.474
  231   1HG2  ILE  31          1HG2      ILE  31  17.409  -2.223  10.139
  232   2HG2  ILE  31          2HG2      ILE  31  18.238  -2.851   8.721
  233   3HG2  ILE  31          3HG2      ILE  31  18.987  -3.019  10.334
  234   1HD1  ILE  31          1HD1      ILE  31  20.076  -1.566  11.790
  235   2HD1  ILE  31          2HD1      ILE  31  19.339  -0.162  12.647
  236   3HD1  ILE  31          3HD1      ILE  31  18.313  -1.392  12.009
  237    H    THR  32           H        THR  32  20.054  -3.418   7.506
  238    HA   THR  32           HA       THR  32  21.416  -5.003   9.486
  239    HB   THR  32           HB       THR  32  20.676  -6.906   8.060
  240    HG1  THR  32           HG1      THR  32  19.368  -5.071   6.544
  241   1HG2  THR  32          1HG2      THR  32  19.023  -6.334   9.890
  242   2HG2  THR  32          2HG2      THR  32  18.686  -4.853   9.116
  243   3HG2  THR  32          3HG2      THR  32  18.102  -6.350   8.371
  244    H    ARG  33           H        ARG  33  21.738  -4.352   6.039
  245    HA   ARG  33           HA       ARG  33  23.811  -5.820   5.327
  246   1HB   ARG  33          HB1       ARG  33  22.586  -3.739   4.179
  247   2HB   ARG  33          HB2       ARG  33  24.185  -3.072   4.324
  248   1HG   ARG  33          HG1       ARG  33  24.383  -5.752   3.270
  249   2HG   ARG  33          HG2       ARG  33  22.875  -5.136   2.609
  250   1HD   ARG  33          HD1       ARG  33  23.939  -3.695   1.207
  251   2HD   ARG  33          HD2       ARG  33  25.189  -3.249   2.407
  252    HE   ARG  33           HE       ARG  33  25.492  -5.947   1.573
  253   1HH1  ARG  33          HH1       ARG  33  28.367  -5.194  -0.428
  254   2HH1  ARG  33          HH1       ARG  33  27.427  -6.464   0.228
  255   1HH2  ARG  33          HH2       ARG  33  27.643  -2.828  -0.091
  256   2HH2  ARG  33          HH2       ARG  33  26.191  -2.581   0.736
  257    H    GLN  34           H        GLN  34  23.969  -2.745   6.952
  258    HA   GLN  34           HA       GLN  34  26.859  -2.575   7.160
  259   1HB   GLN  34          HB1       GLN  34  26.513  -0.635   8.447
  260   2HB   GLN  34          HB2       GLN  34  25.457  -0.541   7.024
  261   1HG   GLN  34          HG1       GLN  34  23.666  -0.174   8.343
  262   2HG   GLN  34          HG2       GLN  34  23.861  -1.792   8.972
  263   1HE2  GLN  34          1HE2      GLN  34  22.697  -0.477  10.645
  264   2HE2  GLN  34          2HE2      GLN  34  23.718   0.313  11.879
  265    H    ARG  35           H        ARG  35  24.254  -3.970   9.040
  266    HA   ARG  35           HA       ARG  35  26.127  -4.737  11.275
  267   1HB   ARG  35          HB1       ARG  35  23.189  -3.912  11.382
  268   2HB   ARG  35          HB2       ARG  35  23.990  -4.890  12.644
  269   1HG   ARG  35          HG1       ARG  35  25.700  -3.203  12.939
  270   2HG   ARG  35          HG2       ARG  35  24.991  -2.226  11.714
  271   1HD   ARG  35          HD1       ARG  35  23.342  -1.425  13.133
  272   2HD   ARG  35          HD2       ARG  35  22.938  -3.045  13.692
  273    HE   ARG  35           HE       ARG  35  25.388  -2.442  14.829
  274   1HH1  ARG  35          HH1       ARG  35  24.323  -0.639  17.690
  275   2HH1  ARG  35          HH1       ARG  35  25.603  -1.559  16.973
  276   1HH2  ARG  35          HH2       ARG  35  22.298  -0.270  16.423
  277   2HH2  ARG  35          HH2       ARG  35  22.180  -0.984  14.855
  278    H    TYR  36           H        TYR  36  22.808  -5.741  10.658
  279    HA   TYR  36           HA       TYR  36  23.449  -8.450  10.946
  280   1HB   TYR  36          HB1       TYR  36  21.350  -7.607  11.768
  281   2HB   TYR  36          HB2       TYR  36  20.978  -7.013  10.180
  282    HD1  TYR  36           HD1      TYR  36  21.968 -10.327  11.644
  283    HD2  TYR  36           HD2      TYR  36  19.249  -8.288   8.936
  284    HE1  TYR  36           HE1      TYR  36  20.897 -12.435  11.010
  285    HE2  TYR  36           HE2      TYR  36  18.151 -10.255   8.459
  286    HH   TYR  36           HH       TYR  36  18.089 -12.535   8.757
  287   1HN   NH2  37          HN1       NH2 237  25.194  -7.969   8.931
  288   2HN   NH2  37          HN2       NH2 237  24.594  -8.470   7.334
  Start of MODEL    8
    1   1H    TYR   1          HN1       TYR   1  18.498  14.974 -16.344
    2   2H    TYR   1          HN2       TYR   1  18.980  13.940 -15.135
    3   3H    TYR   1          HN3       TYR   1  20.072  14.642 -16.147
    4    HA   TYR   1           HA       TYR   1  19.597  13.500 -17.965
    5   1HB   TYR   1          HB1       TYR   1  19.778  11.816 -15.546
    6   2HB   TYR   1          HB2       TYR   1  18.854  11.044 -16.822
    7    HD1  TYR   1           HD1      TYR   1  20.025   9.494 -17.985
    8    HD2  TYR   1           HD2      TYR   1  21.974  13.146 -16.823
    9    HE1  TYR   1           HE1      TYR   1  22.123   8.744 -19.137
   10    HE2  TYR   1           HE2      TYR   1  24.084  12.355 -17.993
   11    HH   TYR   1           HH       TYR   1  24.363  11.033 -20.089
   12    HA   PRO   2           HA       PRO   2  15.262  11.875 -18.102
   13   1HB   PRO   2          HB1       PRO   2  13.529  11.880 -15.976
   14   2HB   PRO   2          HB2       PRO   2  14.617  10.540 -16.411
   15   1HG   PRO   2          HG1       PRO   2  14.840  12.460 -14.179
   16   2HG   PRO   2          HG2       PRO   2  15.551  10.837 -14.334
   17   1HD   PRO   2          HD1       PRO   2  16.872  13.357 -14.713
   18   2HD   PRO   2          HD2       PRO   2  17.512  11.726 -15.068
   19    H    SER   3           H        SER   3  14.142  14.087 -15.510
   20    HA   SER   3           HA       SER   3  13.965  16.419 -17.093
   21   1HB   SER   3          HB1       SER   3  12.092  15.051 -18.217
   22   2HB   SER   3          HB2       SER   3  11.215  15.215 -16.674
   23    HG   SER   3           HG       SER   3  12.149  17.600 -17.425
   24    H    LYS   4           H        LYS   4  12.223  14.497 -14.589
   25    HA   LYS   4           HA       LYS   4  12.993  16.242 -12.404
   26   1HB   LYS   4          HB1       LYS   4  11.270  17.669 -13.456
   27   2HB   LYS   4          HB2       LYS   4  10.130  16.355 -13.424
   28   1HG   LYS   4          HG1       LYS   4   9.473  16.956 -11.404
   29   2HG   LYS   4          HG2       LYS   4  11.061  16.551 -10.742
   30   1HD   LYS   4          HD1       LYS   4  11.900  18.765 -11.015
   31   2HD   LYS   4          HD2       LYS   4  10.536  19.287 -12.002
   32   1HE   LYS   4          HE1       LYS   4   9.772  18.175  -9.344
   33   2HE   LYS   4          HE2       LYS   4  10.749  19.637  -9.233
   34   1HZ   LYS   4          HZ1       LYS   4   8.978  20.863 -10.039
   35   2HZ   LYS   4          HZ2       LYS   4   8.504  19.670 -11.073
   36   3HZ   LYS   4          HZ3       LYS   4   8.115  19.539  -9.544
   37    HA   PRO   5           HA       PRO   5  11.753  11.818 -11.569
   38   1HB   PRO   5          HB1       PRO   5  14.011  11.228 -10.025
   39   2HB   PRO   5          HB2       PRO   5  13.855  10.922 -11.765
   40   1HG   PRO   5          HG1       PRO   5  15.423  12.991 -10.345
   41   2HG   PRO   5          HG2       PRO   5  15.623  12.384 -12.027
   42   1HD   PRO   5          HD1       PRO   5  14.329  14.825 -11.089
   43   2HD   PRO   5          HD2       PRO   5  14.491  14.278 -12.771
   44    H    ASP   6           H        ASP   6  10.037  13.065 -10.415
   45    HA   ASP   6           HA       ASP   6  10.059  12.428  -7.664
   46   1HB   ASP   6          HB1       ASP   6  11.527  14.671  -7.787
   47   2HB   ASP   6          HB2       ASP   6   9.977  15.456  -7.950
   48    H    ASN   7           H        ASN   7   8.153  11.438  -8.907
   49    HA   ASN   7           HA       ASN   7   5.942  13.386  -9.414
   50   1HB   ASN   7          HB1       ASN   7   4.868  11.743 -10.710
   51   2HB   ASN   7          HB2       ASN   7   6.502  11.983 -11.336
   52   1HD2  ASN   7          HD2       ASN   7   8.088  10.201 -10.889
   53   2HD2  ASN   7          HD2       ASN   7   7.524   8.653 -10.315
   54    HA   PRO   8           HA       PRO   8   3.765  11.793  -5.857
   55   1HB   PRO   8          HB1       PRO   8   1.129  12.444  -6.519
   56   2HB   PRO   8          HB2       PRO   8   2.352  13.543  -5.877
   57   1HG   PRO   8          HG1       PRO   8   1.326  13.342  -8.642
   58   2HG   PRO   8          HG2       PRO   8   2.006  14.734  -7.794
   59   1HD   PRO   8          HD1       PRO   8   3.320  13.009  -9.658
   60   2HD   PRO   8          HD2       PRO   8   4.081  14.285  -8.682
   61    H    GLY   9           H        GLY   9   1.217  10.580  -5.902
   62   1HA   GLY   9          HA1       GLY   9   1.422   8.234  -7.655
   63   2HA   GLY   9          HA2       GLY   9   1.444   7.951  -5.896
   64    H    GLU  10           H        GLU  10  -0.670   6.924  -6.201
   65    HA   GLU  10           HA       GLU  10  -2.882   8.832  -6.676
   66   1HB   GLU  10          HB1       GLU  10  -2.068   6.952  -8.505
   67   2HB   GLU  10          HB2       GLU  10  -3.236   6.013  -7.594
   68   1HG   GLU  10          HG1       GLU  10  -4.960   7.124  -8.576
   69   2HG   GLU  10          HG2       GLU  10  -4.270   8.727  -8.247
   70    H    ASP  11           H        ASP  11  -4.807   6.682  -6.307
   71    HA   ASP  11           HA       ASP  11  -4.867   7.008  -3.434
   72   1HB   ASP  11          HB1       ASP  11  -6.858   7.147  -5.109
   73   2HB   ASP  11          HB2       ASP  11  -6.976   5.379  -4.917
   74    H    ALA  12           H        ALA  12  -5.391   4.099  -5.452
   75    HA   ALA  12           HA       ALA  12  -4.882   1.928  -5.252
   76   1HB   ALA  12          HB1       ALA  12  -2.171   2.638  -4.124
   77   2HB   ALA  12          HB2       ALA  12  -2.645   1.381  -5.284
   78   3HB   ALA  12          HB3       ALA  12  -2.624   3.080  -5.771
   79    HA   PRO  13           HA       PRO  13  -5.887   2.038  -0.695
   80   1HB   PRO  13          HB1       PRO  13  -8.041   0.245  -0.829
   81   2HB   PRO  13          HB2       PRO  13  -8.223   2.006  -0.947
   82   1HG   PRO  13          HG1       PRO  13  -8.369  -0.003  -3.089
   83   2HG   PRO  13          HG2       PRO  13  -9.072   1.645  -2.990
   84   1HD   PRO  13          HD1       PRO  13  -6.742   0.801  -4.414
   85   2HD   PRO  13          HD2       PRO  13  -7.240   2.495  -4.185
   86    H    ALA  14           H        ALA  14  -5.106   0.585   0.725
   87    HA   ALA  14           HA       ALA  14  -4.262  -1.290   1.661
   88   1HB   ALA  14          HB1       ALA  14  -6.244  -2.518   0.484
   89   2HB   ALA  14          HB2       ALA  14  -5.021  -3.044  -0.711
   90   3HB   ALA  14          HB3       ALA  14  -4.820  -3.463   0.994
   91    H    GLU  15           H        GLU  15  -3.658  -1.525  -1.922
   92    HA   GLU  15           HA       GLU  15  -1.146  -2.416  -1.701
   93   1HB   GLU  15          HB1       GLU  15  -2.772  -1.486  -3.816
   94   2HB   GLU  15          HB2       GLU  15  -1.275  -0.570  -3.936
   95   1HG   GLU  15          HG1       GLU  15  -0.799  -2.519  -5.189
   96   2HG   GLU  15          HG2       GLU  15  -0.081  -2.846  -3.606
   97    H    ASP  16           H        ASP  16  -2.152   0.914  -1.180
   98    HA   ASP  16           HA       ASP  16   0.321   2.135  -1.324
   99   1HB   ASP  16          HB1       ASP  16  -2.260   2.779  -0.315
  100   2HB   ASP  16          HB2       ASP  16  -1.231   3.038   1.061
  101    H    LEU  17           H        LEU  17  -0.613  -0.333   1.051
  102    HA   LEU  17           HA       LEU  17   1.215   0.460   3.049
  103   1HB   LEU  17          HB1       LEU  17   0.166  -1.133   4.192
  104   2HB   LEU  17          HB2       LEU  17  -1.033  -1.101   2.975
  105    HG   LEU  17           HG       LEU  17   1.225  -2.906   2.644
  106   1HD1  LEU  17          HD1       LEU  17   0.363  -4.635   4.118
  107   2HD1  LEU  17          HD1       LEU  17   0.195  -3.144   5.081
  108   3HD1  LEU  17          HD1       LEU  17  -1.230  -3.822   4.224
  109   1HD2  LEU  17          HD2       LEU  17  -0.225  -4.521   1.635
  110   2HD2  LEU  17          HD2       LEU  17  -1.615  -3.466   1.889
  111   3HD2  LEU  17          HD2       LEU  17  -0.294  -2.968   0.794
  112    H    ALA  18           H        ALA  18   1.162  -1.563   0.105
  113    HA   ALA  18           HA       ALA  18   3.693  -2.855   0.579
  114   1HB   ALA  18          HB1       ALA  18   2.290  -2.466  -2.104
  115   2HB   ALA  18          HB2       ALA  18   3.377  -3.773  -1.650
  116   3HB   ALA  18          HB3       ALA  18   1.771  -3.680  -0.938
  117    H    ARG  19           H        ARG  19   2.951   0.326  -0.162
  118    HA   ARG  19           HA       ARG  19   5.287   0.882  -1.788
  119   1HB   ARG  19          HB1       ARG  19   2.929   2.081  -1.643
  120   2HB   ARG  19          HB2       ARG  19   3.670   2.911  -0.285
  121   1HG   ARG  19          HG1       ARG  19   5.222   2.882  -2.868
  122   2HG   ARG  19          HG2       ARG  19   3.671   3.699  -2.883
  123   1HD   ARG  19          HD1       ARG  19   4.729   4.809  -0.602
  124   2HD   ARG  19          HD2       ARG  19   6.203   4.527  -1.568
  125    HE   ARG  19           HE       ARG  19   4.075   5.719  -3.115
  126   1HH1  ARG  19          HH1       ARG  19   4.699   9.088  -2.538
  127   2HH1  ARG  19          HH1       ARG  19   3.873   7.927  -3.537
  128   1HH2  ARG  19          HH2       ARG  19   6.327   8.331  -0.962
  129   2HH2  ARG  19          HH2       ARG  19   6.593   6.607  -0.897
  130    H    TYR  20           H        TYR  20   4.109   1.279   1.600
  131    HA   TYR  20           HA       TYR  20   6.420   2.724   2.482
  132   1HB   TYR  20          HB1       TYR  20   5.490   2.668   4.582
  133   2HB   TYR  20          HB2       TYR  20   4.037   2.291   3.647
  134    HD1  TYR  20           HD1      TYR  20   6.736   0.772   5.778
  135    HD2  TYR  20           HD2      TYR  20   2.672   0.619   4.504
  136    HE1  TYR  20           HE1      TYR  20   6.445  -1.407   6.949
  137    HE2  TYR  20           HE2      TYR  20   2.423  -1.678   5.463
  138    HH   TYR  20           HH       TYR  20   5.090  -3.266   7.261
  139    H    TYR  21           H        TYR  21   5.594  -0.590   2.203
  140    HA   TYR  21           HA       TYR  21   7.608  -1.770   3.699
  141   1HB   TYR  21          HB1       TYR  21   5.526  -2.661   2.018
  142   2HB   TYR  21          HB2       TYR  21   6.968  -3.175   1.163
  143    HD1  TYR  21           HD1      TYR  21   8.663  -4.681   2.339
  144    HD2  TYR  21           HD2      TYR  21   4.712  -3.892   3.860
  145    HE1  TYR  21           HE1      TYR  21   8.801  -6.711   3.765
  146    HE2  TYR  21           HE2      TYR  21   4.843  -5.947   5.247
  147    HH   TYR  21           HH       TYR  21   7.894  -7.699   5.670
  148    H    SER  22           H        SER  22   7.776  -0.939   0.145
  149    HA   SER  22           HA       SER  22  10.288  -1.811  -0.353
  150   1HB   SER  22          HB1       SER  22   9.026   0.759  -1.343
  151   2HB   SER  22          HB2       SER  22  10.338  -0.122  -2.147
  152    HG   SER  22           HG       SER  22   8.850  -1.415  -2.949
  153    H    ALA  23           H        ALA  23   9.356   1.309   1.107
  154    HA   ALA  23           HA       ALA  23  12.070   2.405   1.200
  155   1HB   ALA  23          HB1       ALA  23   9.389   3.123   2.376
  156   2HB   ALA  23          HB2       ALA  23  10.847   3.772   3.147
  157   3HB   ALA  23          HB3       ALA  23  10.525   4.104   1.431
  158    H    LEU  24           H        LEU  24   9.924   0.628   3.455
  159    HA   LEU  24           HA       LEU  24  11.846   0.490   5.546
  160   1HB   LEU  24          HB1       LEU  24   9.390  -1.133   4.809
  161   2HB   LEU  24          HB2       LEU  24  10.542  -1.862   5.885
  162    HG   LEU  24           HG       LEU  24   8.802   0.523   6.414
  163   1HD1  LEU  24          HD1       LEU  24   8.111  -0.846   8.240
  164   2HD1  LEU  24          HD1       LEU  24   8.478  -2.084   7.007
  165   3HD1  LEU  24          HD1       LEU  24   9.640  -1.722   8.279
  166   1HD2  LEU  24          HD2       LEU  24  11.400  -0.200   7.734
  167   2HD2  LEU  24          HD2       LEU  24  10.887   1.416   7.165
  168   3HD2  LEU  24          HD2       LEU  24  10.124   0.691   8.585
  169    H    ARG  25           H        ARG  25  11.441  -1.614   2.661
  170    HA   ARG  25           HA       ARG  25  13.347  -3.495   3.542
  171   1HB   ARG  25          HB1       ARG  25  12.162  -4.174   1.605
  172   2HB   ARG  25          HB2       ARG  25  12.253  -2.607   0.829
  173   1HG   ARG  25          HG1       ARG  25  14.440  -2.841   0.093
  174   2HG   ARG  25          HG2       ARG  25  14.819  -4.138   1.238
  175   1HD   ARG  25          HD1       ARG  25  13.745  -5.761   0.071
  176   2HD   ARG  25          HD2       ARG  25  12.725  -4.626  -0.859
  177    HE   ARG  25           HE       ARG  25  15.094  -3.859  -1.781
  178   1HH1  ARG  25          HH1       ARG  25  16.194  -6.532  -3.853
  179   2HH1  ARG  25          HH1       ARG  25  16.516  -4.911  -3.373
  180   1HH2  ARG  25          HH2       ARG  25  14.648  -7.849  -2.581
  181   2HH2  ARG  25          HH2       ARG  25  13.695  -7.010  -1.394
  182    H    HIS  26           H        HIS  26  13.736  -0.506   1.547
  183    HA   HIS  26           HA       HIS  26  16.450  -0.830   1.161
  184   1HB   HIS  26          HB1       HIS  26  14.903   1.029   0.253
  185   2HB   HIS  26          HB2       HIS  26  15.150   1.865   1.761
  186    HD1  HIS  26           HD1      HIS  26  17.902   0.203  -0.488
  187    HD2  HIS  26           HD2      HIS  26  16.698   3.833   1.274
  188    HE1  HIS  26           HE1      HIS  26  19.735   1.898  -0.993
  189    H    TYR  27           H        TYR  27  14.814   0.759   3.906
  190    HA   TYR  27           HA       TYR  27  17.172   1.280   5.422
  191   1HB   TYR  27          HB1       TYR  27  14.246   1.216   5.973
  192   2HB   TYR  27          HB2       TYR  27  15.327   0.908   7.337
  193    HD1  TYR  27           HD1      TYR  27  14.341   3.514   4.909
  194    HD2  TYR  27           HD2      TYR  27  16.926   2.478   8.171
  195    HE1  TYR  27           HE1      TYR  27  14.605   5.947   5.503
  196    HE2  TYR  27           HE2      TYR  27  17.506   4.892   8.448
  197    HH   TYR  27           HH       TYR  27  15.489   7.231   7.860
  198    H    ILE  28           H        ILE  28  14.782  -1.254   6.129
  199    HA   ILE  28           HA       ILE  28  16.267  -2.561   7.993
  200    HB   ILE  28           HB       ILE  28  14.230  -3.754   6.150
  201   1HG1  ILE  28          1HG1      ILE  28  14.097  -2.652   8.984
  202   2HG1  ILE  28          2HG1      ILE  28  13.405  -1.926   7.549
  203   1HG2  ILE  28          1HG2      ILE  28  15.940  -5.156   8.056
  204   2HG2  ILE  28          2HG2      ILE  28  14.290  -5.202   8.637
  205   3HG2  ILE  28          3HG2      ILE  28  14.643  -5.786   7.004
  206   1HD1  ILE  28          1HD1      ILE  28  12.389  -4.278   9.118
  207   2HD1  ILE  28          2HD1      ILE  28  11.539  -2.893   8.463
  208   3HD1  ILE  28          3HD1      ILE  28  12.045  -4.191   7.378
  209    H    ASN  29           H        ASN  29  16.677  -2.773   4.530
  210    HA   ASN  29           HA       ASN  29  18.414  -5.053   4.378
  211   1HB   ASN  29          HB1       ASN  29  17.294  -4.114   2.373
  212   2HB   ASN  29          HB2       ASN  29  18.053  -2.594   2.671
  213   1HD2  ASN  29          HD2       ASN  29  18.713  -5.802   1.400
  214   2HD2  ASN  29          HD2       ASN  29  20.191  -5.296   0.580
  215    H    LEU  30           H        LEU  30  19.003  -1.535   4.528
  216    HA   LEU  30           HA       LEU  30  21.905  -1.881   4.577
  217   1HB   LEU  30          HB1       LEU  30  22.153   0.454   4.688
  218   2HB   LEU  30          HB2       LEU  30  21.011   0.006   3.439
  219    HG   LEU  30           HG       LEU  30  19.191   0.672   5.017
  220   1HD1  LEU  30          HD1       LEU  30  21.345   1.256   6.872
  221   2HD1  LEU  30          HD1       LEU  30  20.442   2.723   6.501
  222   3HD1  LEU  30          HD1       LEU  30  19.576   1.318   7.104
  223   1HD2  LEU  30          HD2       LEU  30  21.045   2.452   3.539
  224   2HD2  LEU  30          HD2       LEU  30  19.336   2.062   3.267
  225   3HD2  LEU  30          HD2       LEU  30  19.780   3.232   4.513
  226    H    ILE  31           H        ILE  31  19.495  -0.961   6.931
  227    HA   ILE  31           HA       ILE  31  21.056  -0.477   9.169
  228    HB   ILE  31           HB       ILE  31  18.365  -0.581   8.481
  229   1HG1  ILE  31          1HG1      ILE  31  19.540   0.941  10.125
  230   2HG1  ILE  31          2HG1      ILE  31  17.825   0.573  10.273
  231   1HG2  ILE  31          1HG2      ILE  31  18.803  -2.688  10.642
  232   2HG2  ILE  31          2HG2      ILE  31  17.236  -1.989  10.131
  233   3HG2  ILE  31          3HG2      ILE  31  18.195  -2.957   9.006
  234   1HD1  ILE  31          1HD1      ILE  31  19.068   0.525  12.454
  235   2HD1  ILE  31          2HD1      ILE  31  18.175  -0.951  12.071
  236   3HD1  ILE  31          3HD1      ILE  31  19.938  -0.917  11.853
  237    H    THR  32           H        THR  32  19.846  -3.582   7.766
  238    HA   THR  32           HA       THR  32  21.032  -5.148   9.831
  239    HB   THR  32           HB       THR  32  20.625  -7.062   8.340
  240    HG1  THR  32           HG1      THR  32  20.663  -6.419   6.324
  241   1HG2  THR  32          1HG2      THR  32  18.909  -6.886   9.729
  242   2HG2  THR  32          2HG2      THR  32  18.430  -5.249   9.218
  243   3HG2  THR  32          3HG2      THR  32  18.050  -6.658   8.187
  244    H    ARG  33           H        ARG  33  22.041  -4.234   6.559
  245    HA   ARG  33           HA       ARG  33  24.255  -5.760   6.222
  246   1HB   ARG  33          HB1       ARG  33  23.199  -3.550   5.024
  247   2HB   ARG  33          HB2       ARG  33  24.781  -2.979   5.456
  248   1HG   ARG  33          HG1       ARG  33  25.192  -3.849   3.374
  249   2HG   ARG  33          HG2       ARG  33  25.540  -5.276   4.329
  250   1HD   ARG  33          HD1       ARG  33  23.279  -6.167   3.886
  251   2HD   ARG  33          HD2       ARG  33  22.800  -4.618   3.133
  252    HE   ARG  33           HE       ARG  33  25.018  -5.503   1.679
  253   1HH1  ARG  33          HH1       ARG  33  23.222  -7.491  -0.682
  254   2HH1  ARG  33          HH1       ARG  33  24.682  -6.571  -0.425
  255   1HH2  ARG  33          HH2       ARG  33  21.489  -7.432   0.913
  256   2HH2  ARG  33          HH2       ARG  33  21.651  -6.381   2.277
  257    H    GLN  34           H        GLN  34  24.121  -2.569   7.797
  258    HA   GLN  34           HA       GLN  34  26.672  -2.465   8.939
  259   1HB   GLN  34          HB1       GLN  34  23.997  -1.301   9.730
  260   2HB   GLN  34          HB2       GLN  34  25.391  -1.167  10.810
  261   1HG   GLN  34          HG1       GLN  34  25.857   0.724   9.788
  262   2HG   GLN  34          HG2       GLN  34  26.578  -0.248   8.532
  263   1HE2  GLN  34          1HE2      GLN  34  25.808   0.140   6.465
  264   2HE2  GLN  34          2HE2      GLN  34  24.396   1.089   6.125
  265    H    ARG  35           H        ARG  35  23.800  -3.794  10.630
  266    HA   ARG  35           HA       ARG  35  25.293  -5.849  11.980
  267   1HB   ARG  35          HB1       ARG  35  25.104  -4.700  14.321
  268   2HB   ARG  35          HB2       ARG  35  26.467  -4.423  13.267
  269   1HG   ARG  35          HG1       ARG  35  25.665  -2.329  14.372
  270   2HG   ARG  35          HG2       ARG  35  25.759  -2.229  12.636
  271   1HD   ARG  35          HD1       ARG  35  23.658  -1.211  13.220
  272   2HD   ARG  35          HD2       ARG  35  23.216  -2.767  12.564
  273    HE   ARG  35           HE       ARG  35  23.620  -3.279  15.249
  274   1HH1  ARG  35          HH1       ARG  35  20.492  -2.361  16.545
  275   2HH1  ARG  35          HH1       ARG  35  22.034  -3.073  16.871
  276   1HH2  ARG  35          HH2       ARG  35  20.162  -1.281  14.403
  277   2HH2  ARG  35          HH2       ARG  35  21.370  -1.586  13.191
  278    H    TYR  36           H        TYR  36  22.984  -6.128  10.761
  279    HA   TYR  36           HA       TYR  36  20.936  -7.000  10.997
  280   1HB   TYR  36          HB1       TYR  36  21.536  -8.615  12.378
  281   2HB   TYR  36          HB2       TYR  36  22.233  -7.583  13.587
  282    HD1  TYR  36           HD1      TYR  36  19.360  -9.563  12.812
  283    HD2  TYR  36           HD2      TYR  36  20.626  -6.050  14.971
  284    HE1  TYR  36           HE1      TYR  36  17.494  -9.837  14.356
  285    HE2  TYR  36           HE2      TYR  36  18.649  -6.169  16.361
  286    HH   TYR  36           HH       TYR  36  16.778  -7.604  17.015
  287   1HN   NH2  37          HN1       NH2 237  18.686  -6.644  12.028
  288   2HN   NH2  37          HN2       NH2 237  18.304  -5.004  12.478
  Start of MODEL    9
    1   1H    TYR   1          HN1       TYR   1  15.485  22.211   8.698
    2   2H    TYR   1          HN2       TYR   1  15.639  20.840   9.522
    3   3H    TYR   1          HN3       TYR   1  16.995  21.749   9.194
    4    HA   TYR   1           HA       TYR   1  16.798  21.207   6.863
    5   1HB   TYR   1          HB1       TYR   1  16.726  18.755   8.614
    6   2HB   TYR   1          HB2       TYR   1  16.869  18.689   6.884
    7    HD1  TYR   1           HD1      TYR   1  18.955  19.011   5.753
    8    HD2  TYR   1           HD2      TYR   1  18.497  20.287   9.866
    9    HE1  TYR   1           HE1      TYR   1  21.352  19.437   5.899
   10    HE2  TYR   1           HE2      TYR   1  20.858  20.776   9.969
   11    HH   TYR   1           HH       TYR   1  22.981  19.973   8.905
   12    HA   PRO   2           HA       PRO   2  12.503  20.277   5.658
   13   1HB   PRO   2          HB1       PRO   2  12.899  19.186   3.149
   14   2HB   PRO   2          HB2       PRO   2  12.949  20.934   3.509
   15   1HG   PRO   2          HG1       PRO   2  15.199  19.039   2.941
   16   2HG   PRO   2          HG2       PRO   2  15.128  20.809   2.729
   17   1HD   PRO   2          HD1       PRO   2  16.322  19.335   4.820
   18   2HD   PRO   2          HD2       PRO   2  16.096  21.126   4.726
   19    H    SER   3           H        SER   3  11.159  18.415   4.943
   20    HA   SER   3           HA       SER   3  12.016  15.991   6.417
   21   1HB   SER   3          HB1       SER   3   9.446  17.330   6.252
   22   2HB   SER   3          HB2       SER   3   9.307  15.754   5.470
   23    HG   SER   3           HG       SER   3   9.270  15.029   7.471
   24    H    LYS   4           H        LYS   4  12.168  14.150   5.441
   25    HA   LYS   4           HA       LYS   4  12.327  14.081   2.503
   26   1HB   LYS   4          HB1       LYS   4  13.487  12.497   4.654
   27   2HB   LYS   4          HB2       LYS   4  12.437  11.441   3.712
   28   1HG   LYS   4          HG1       LYS   4  14.325  11.139   2.558
   29   2HG   LYS   4          HG2       LYS   4  13.587  12.487   1.630
   30   1HD   LYS   4          HD1       LYS   4  15.048  13.714   3.675
   31   2HD   LYS   4          HD2       LYS   4  16.006  12.316   3.392
   32   1HE   LYS   4          HE1       LYS   4  15.264  13.649   0.802
   33   2HE   LYS   4          HE2       LYS   4  15.894  14.779   1.955
   34   1HZ   LYS   4          HZ1       LYS   4  17.703  13.878   0.732
   35   2HZ   LYS   4          HZ2       LYS   4  17.824  13.417   2.274
   36   3HZ   LYS   4          HZ3       LYS   4  17.334  12.340   1.127
   37    HA   PRO   5           HA       PRO   5   8.622  11.250   2.886
   38   1HB   PRO   5          HB1       PRO   5   7.243  11.089   5.335
   39   2HB   PRO   5          HB2       PRO   5   8.418   9.914   4.715
   40   1HG   PRO   5          HG1       PRO   5   8.633  11.900   6.830
   41   2HG   PRO   5          HG2       PRO   5   9.705  10.494   6.540
   42   1HD   PRO   5          HD1       PRO   5  10.114  13.290   5.968
   43   2HD   PRO   5          HD2       PRO   5  11.223  11.914   5.584
   44    H    ASP   6           H        ASP   6   6.610  12.068   2.181
   45    HA   ASP   6           HA       ASP   6   4.966  13.975   3.441
   46   1HB   ASP   6          HB1       ASP   6   5.342  15.733   1.736
   47   2HB   ASP   6          HB2       ASP   6   6.705  15.491   2.794
   48    H    ASN   7           H        ASN   7   3.459  14.628   1.666
   49    HA   ASN   7           HA       ASN   7   1.609  13.940   0.414
   50   1HB   ASN   7          HB1       ASN   7   3.978  12.978  -1.122
   51   2HB   ASN   7          HB2       ASN   7   2.368  12.402  -1.550
   52   1HD2  ASN   7          HD2       ASN   7   3.755  13.774  -3.437
   53   2HD2  ASN   7          HD2       ASN   7   2.958  15.332  -3.672
   54    HA   PRO   8           HA       PRO   8   1.044   9.972   2.573
   55   1HB   PRO   8          HB1       PRO   8  -1.681  10.358   3.163
   56   2HB   PRO   8          HB2       PRO   8  -0.280  10.829   4.159
   57   1HG   PRO   8          HG1       PRO   8  -2.067  12.559   2.588
   58   2HG   PRO   8          HG2       PRO   8  -0.981  12.927   3.970
   59   1HD   PRO   8          HD1       PRO   8  -0.541  13.263   1.102
   60   2HD   PRO   8          HD2       PRO   8   0.515  13.789   2.451
   61    H    GLY   9           H        GLY   9  -0.762   8.220   2.065
   62   1HA   GLY   9          HA1       GLY   9  -1.585   8.209  -0.820
   63   2HA   GLY   9          HA2       GLY   9  -0.848   6.797  -0.048
   64    H    GLU  10           H        GLU  10  -2.084   5.522   1.253
   65    HA   GLU  10           HA       GLU  10  -3.877   4.548   2.155
   66   1HB   GLU  10          HB1       GLU  10  -4.702   7.390   2.759
   67   2HB   GLU  10          HB2       GLU  10  -5.672   5.980   3.153
   68   1HG   GLU  10          HG1       GLU  10  -2.931   5.439   4.005
   69   2HG   GLU  10          HG2       GLU  10  -3.415   7.047   4.585
   70    H    ASP  11           H        ASP  11  -4.307   3.547   0.250
   71    HA   ASP  11           HA       ASP  11  -6.718   4.590  -1.268
   72   1HB   ASP  11          HB1       ASP  11  -4.013   4.203  -2.214
   73   2HB   ASP  11          HB2       ASP  11  -5.022   2.974  -2.967
   74    H    ALA  12           H        ALA  12  -4.838   1.689  -0.961
   75    HA   ALA  12           HA       ALA  12  -7.343   0.072  -0.741
   76   1HB   ALA  12          HB1       ALA  12  -4.891  -0.364  -2.413
   77   2HB   ALA  12          HB2       ALA  12  -5.722  -1.772  -1.732
   78   3HB   ALA  12          HB3       ALA  12  -6.615  -0.620  -2.749
   79    HA   PRO  13           HA       PRO  13  -5.774  -1.211   3.143
   80   1HB   PRO  13          HB1       PRO  13  -6.879  -3.785   3.336
   81   2HB   PRO  13          HB2       PRO  13  -7.718  -2.245   3.704
   82   1HG   PRO  13          HG1       PRO  13  -8.076  -4.053   1.342
   83   2HG   PRO  13          HG2       PRO  13  -9.166  -2.804   2.013
   84   1HD   PRO  13          HD1       PRO  13  -7.408  -2.616  -0.222
   85   2HD   PRO  13          HD2       PRO  13  -8.458  -1.336   0.494
   86    H    ALA  14           H        ALA  14  -3.882  -2.258   3.724
   87    HA   ALA  14           HA       ALA  14  -2.129  -3.704   3.884
   88   1HB   ALA  14          HB1       ALA  14  -2.583  -5.883   3.688
   89   2HB   ALA  14          HB2       ALA  14  -4.038  -5.557   2.718
   90   3HB   ALA  14          HB3       ALA  14  -2.469  -5.760   1.954
   91    H    GLU  15           H        GLU  15  -3.059  -3.645   0.450
   92    HA   GLU  15           HA       GLU  15  -0.691  -3.440  -0.832
   93   1HB   GLU  15          HB1       GLU  15  -3.408  -3.012  -1.503
   94   2HB   GLU  15          HB2       GLU  15  -2.607  -1.538  -2.040
   95   1HG   GLU  15          HG1       GLU  15  -1.099  -2.885  -3.424
   96   2HG   GLU  15          HG2       GLU  15  -1.768  -4.400  -2.758
   97    H    ASP  16           H        ASP  16  -2.313  -0.773   0.871
   98    HA   ASP  16           HA       ASP  16  -0.451   1.231   0.313
   99   1HB   ASP  16          HB1       ASP  16  -2.670   0.908   1.997
  100   2HB   ASP  16          HB2       ASP  16  -1.400   1.342   3.117
  101    H    LEU  17           H        LEU  17  -0.436  -1.014   2.965
  102    HA   LEU  17           HA       LEU  17   1.995  -0.079   4.193
  103   1HB   LEU  17          HB1       LEU  17   1.365  -1.504   5.778
  104   2HB   LEU  17          HB2       LEU  17   0.092  -2.114   4.739
  105    HG   LEU  17           HG       LEU  17   1.592  -3.789   3.821
  106   1HD1  LEU  17          HD1       LEU  17   3.909  -3.586   4.094
  107   2HD1  LEU  17          HD1       LEU  17   3.696  -2.274   5.274
  108   3HD1  LEU  17          HD1       LEU  17   3.681  -3.956   5.801
  109   1HD2  LEU  17          HD2       LEU  17   0.212  -4.331   5.767
  110   2HD2  LEU  17          HD2       LEU  17   1.743  -5.210   5.825
  111   3HD2  LEU  17          HD2       LEU  17   1.502  -3.751   6.845
  112    H    ALA  18           H        ALA  18   1.287  -2.358   1.606
  113    HA   ALA  18           HA       ALA  18   3.874  -3.479   1.247
  114   1HB   ALA  18          HB1       ALA  18   1.562  -3.987   0.042
  115   2HB   ALA  18          HB2       ALA  18   2.226  -2.889  -1.183
  116   3HB   ALA  18          HB3       ALA  18   3.103  -4.354  -0.739
  117    H    ARG  19           H        ARG  19   2.631  -0.306   0.373
  118    HA   ARG  19           HA       ARG  19   4.773   0.554  -1.349
  119   1HB   ARG  19          HB1       ARG  19   2.458   1.526  -1.017
  120   2HB   ARG  19          HB2       ARG  19   3.075   2.309   0.451
  121   1HG   ARG  19          HG1       ARG  19   4.322   3.796  -0.534
  122   2HG   ARG  19          HG2       ARG  19   4.889   2.736  -1.819
  123   1HD   ARG  19          HD1       ARG  19   1.975   3.498  -1.945
  124   2HD   ARG  19          HD2       ARG  19   3.170   4.797  -2.185
  125    HE   ARG  19           HE       ARG  19   3.971   2.564  -3.733
  126   1HH1  ARG  19          HH1       ARG  19   2.515   3.614  -6.784
  127   2HH1  ARG  19          HH1       ARG  19   3.711   2.584  -6.082
  128   1HH2  ARG  19          HH2       ARG  19   1.326   5.180  -5.402
  129   2HH2  ARG  19          HH2       ARG  19   1.460   5.061  -3.691
  130    H    TYR  20           H        TYR  20   4.097   0.988   2.089
  131    HA   TYR  20           HA       TYR  20   6.536   2.436   2.796
  132   1HB   TYR  20          HB1       TYR  20   4.862   2.651   4.369
  133   2HB   TYR  20          HB2       TYR  20   4.469   0.927   4.363
  134    HD1  TYR  20           HD1      TYR  20   7.608   2.928   5.095
  135    HD2  TYR  20           HD2      TYR  20   4.868  -0.186   6.279
  136    HE1  TYR  20           HE1      TYR  20   8.900   2.557   7.127
  137    HE2  TYR  20           HE2      TYR  20   6.176  -0.587   8.282
  138    HH   TYR  20           HH       TYR  20   8.404   1.786   9.581
  139    H    TYR  21           H        TYR  21   5.768  -0.876   2.222
  140    HA   TYR  21           HA       TYR  21   7.877  -2.112   3.636
  141   1HB   TYR  21          HB1       TYR  21   5.778  -3.065   2.205
  142   2HB   TYR  21          HB2       TYR  21   7.012  -3.224   0.939
  143    HD1  TYR  21           HD1      TYR  21   6.545  -3.864   4.617
  144    HD2  TYR  21           HD2      TYR  21   7.898  -5.363   0.799
  145    HE1  TYR  21           HE1      TYR  21   7.067  -6.005   5.662
  146    HE2  TYR  21           HE2      TYR  21   8.376  -7.542   1.837
  147    HH   TYR  21           HH       TYR  21   8.369  -8.152   5.284
  148    H    SER  22           H        SER  22   7.789  -0.859   0.278
  149    HA   SER  22           HA       SER  22  10.258  -1.690  -0.472
  150   1HB   SER  22          HB1       SER  22   8.336   0.337  -1.403
  151   2HB   SER  22          HB2       SER  22   9.958   0.958  -1.619
  152    HG   SER  22           HG       SER  22   8.877  -1.258  -2.867
  153    H    ALA  23           H        ALA  23   9.362   1.325   1.021
  154    HA   ALA  23           HA       ALA  23  12.087   2.358   1.189
  155   1HB   ALA  23          HB1       ALA  23  11.084   4.270   1.649
  156   2HB   ALA  23          HB2       ALA  23   9.555   3.432   1.429
  157   3HB   ALA  23          HB3       ALA  23  10.226   3.542   3.043
  158    H    LEU  24           H        LEU  24  10.043   0.456   3.547
  159    HA   LEU  24           HA       LEU  24  11.765   0.570   5.629
  160   1HB   LEU  24          HB1       LEU  24   9.246   0.075   5.469
  161   2HB   LEU  24          HB2       LEU  24   9.651  -1.492   4.749
  162    HG   LEU  24           HG       LEU  24  10.882  -1.997   6.484
  163   1HD1  LEU  24          HD1       LEU  24  10.626  -0.530   8.772
  164   2HD1  LEU  24          HD1       LEU  24  11.858  -0.215   7.572
  165   3HD1  LEU  24          HD1       LEU  24  10.396   0.759   7.606
  166   1HD2  LEU  24          HD2       LEU  24   8.708  -1.620   8.343
  167   2HD2  LEU  24          HD2       LEU  24   8.066  -1.639   6.711
  168   3HD2  LEU  24          HD2       LEU  24   9.041  -2.984   7.281
  169    H    ARG  25           H        ARG  25  11.509  -1.403   2.679
  170    HA   ARG  25           HA       ARG  25  13.352  -3.430   3.620
  171   1HB   ARG  25          HB1       ARG  25  12.035  -4.048   1.689
  172   2HB   ARG  25          HB2       ARG  25  12.341  -2.550   0.846
  173   1HG   ARG  25          HG1       ARG  25  14.431  -2.957   0.180
  174   2HG   ARG  25          HG2       ARG  25  14.809  -4.173   1.429
  175   1HD   ARG  25          HD1       ARG  25  13.826  -5.873   0.414
  176   2HD   ARG  25          HD2       ARG  25  12.731  -4.865  -0.574
  177    HE   ARG  25           HE       ARG  25  15.125  -4.097  -1.546
  178   1HH1  ARG  25          HH1       ARG  25  15.699  -6.569  -3.949
  179   2HH1  ARG  25          HH1       ARG  25  16.182  -5.040  -3.365
  180   1HH2  ARG  25          HH2       ARG  25  13.832  -7.708  -2.877
  181   2HH2  ARG  25          HH2       ARG  25  13.153  -6.983  -1.485
  182    H    HIS  26           H        HIS  26  13.725  -0.438   1.618
  183    HA   HIS  26           HA       HIS  26  16.481  -0.855   1.167
  184   1HB   HIS  26          HB1       HIS  26  14.997   1.051   0.283
  185   2HB   HIS  26          HB2       HIS  26  15.207   1.799   1.852
  186    HD1  HIS  26           HD1      HIS  26  18.044   0.174  -0.260
  187    HD2  HIS  26           HD2      HIS  26  16.646   3.812   1.324
  188    HE1  HIS  26           HE1      HIS  26  19.686   1.942  -1.009
  189    H    TYR  27           H        TYR  27  14.860   0.679   3.916
  190    HA   TYR  27           HA       TYR  27  17.207   1.315   5.457
  191   1HB   TYR  27          HB1       TYR  27  14.291   1.268   5.918
  192   2HB   TYR  27          HB2       TYR  27  15.382   0.996   7.327
  193    HD1  TYR  27           HD1      TYR  27  16.897   2.458   8.180
  194    HD2  TYR  27           HD2      TYR  27  14.483   3.401   4.769
  195    HE1  TYR  27           HE1      TYR  27  16.878   4.825   8.838
  196    HE2  TYR  27           HE2      TYR  27  14.953   5.812   5.078
  197    HH   TYR  27           HH       TYR  27  16.297   7.404   6.455
  198    H    ILE  28           H        ILE  28  14.679  -1.178   6.261
  199    HA   ILE  28           HA       ILE  28  16.215  -2.513   8.017
  200    HB   ILE  28           HB       ILE  28  14.146  -3.640   6.191
  201   1HG1  ILE  28          1HG1      ILE  28  14.135  -2.630   9.056
  202   2HG1  ILE  28          2HG1      ILE  28  13.366  -1.856   7.673
  203   1HG2  ILE  28          1HG2      ILE  28  15.009  -4.918   8.847
  204   2HG2  ILE  28          2HG2      ILE  28  13.931  -5.582   7.615
  205   3HG2  ILE  28          3HG2      ILE  28  15.650  -5.551   7.349
  206   1HD1  ILE  28          1HD1      ILE  28  11.966  -3.921   7.393
  207   2HD1  ILE  28          2HD1      ILE  28  12.547  -4.475   8.982
  208   3HD1  ILE  28          3HD1      ILE  28  11.634  -2.967   8.859
  209    H    ASN  29           H        ASN  29  16.669  -2.684   4.546
  210    HA   ASN  29           HA       ASN  29  18.373  -5.054   4.298
  211   1HB   ASN  29          HB1       ASN  29  17.196  -4.163   2.366
  212   2HB   ASN  29          HB2       ASN  29  17.830  -2.573   2.667
  213   1HD2  ASN  29          HD2       ASN  29  18.797  -2.307   0.626
  214   2HD2  ASN  29          HD2       ASN  29  20.261  -3.275   0.261
  215    H    LEU  30           H        LEU  30  18.925  -1.554   4.490
  216    HA   LEU  30           HA       LEU  30  21.838  -1.991   4.520
  217   1HB   LEU  30          HB1       LEU  30  22.200   0.367   4.616
  218   2HB   LEU  30          HB2       LEU  30  21.021  -0.129   3.363
  219    HG   LEU  30           HG       LEU  30  19.252   0.518   4.880
  220   1HD1  LEU  30          HD1       LEU  30  19.512   1.212   6.986
  221   2HD1  LEU  30          HD1       LEU  30  21.287   1.089   6.863
  222   3HD1  LEU  30          HD1       LEU  30  20.497   2.558   6.412
  223   1HD2  LEU  30          HD2       LEU  30  20.230   1.904   2.960
  224   2HD2  LEU  30          HD2       LEU  30  19.137   2.666   4.117
  225   3HD2  LEU  30          HD2       LEU  30  20.898   2.946   4.232
  226    H    ILE  31           H        ILE  31  19.425  -0.944   6.836
  227    HA   ILE  31           HA       ILE  31  21.038  -0.506   9.051
  228    HB   ILE  31           HB       ILE  31  18.300  -0.625   8.499
  229   1HG1  ILE  31          1HG1      ILE  31  19.630   0.812  10.160
  230   2HG1  ILE  31          2HG1      ILE  31  17.893   0.547  10.256
  231   1HG2  ILE  31          1HG2      ILE  31  17.153  -2.082  10.077
  232   2HG2  ILE  31          2HG2      ILE  31  18.094  -2.980   8.908
  233   3HG2  ILE  31          3HG2      ILE  31  18.668  -2.862  10.558
  234   1HD1  ILE  31          1HD1      ILE  31  19.236   0.313  12.444
  235   2HD1  ILE  31          2HD1      ILE  31  18.122  -1.017  12.066
  236   3HD1  ILE  31          3HD1      ILE  31  19.866  -1.208  11.789
  237    H    THR  32           H        THR  32  19.801  -3.603   7.773
  238    HA   THR  32           HA       THR  32  20.851  -5.222   9.905
  239    HB   THR  32           HB       THR  32  20.559  -6.998   8.126
  240    HG1  THR  32           HG1      THR  32  20.580  -5.989   6.249
  241   1HG2  THR  32          1HG2      THR  32  18.749  -6.812   9.676
  242   2HG2  THR  32          2HG2      THR  32  18.307  -5.214   9.138
  243   3HG2  THR  32          3HG2      THR  32  17.967  -6.618   8.106
  244    H    ARG  33           H        ARG  33  21.996  -4.054   6.676
  245    HA   ARG  33           HA       ARG  33  24.169  -5.633   6.239
  246   1HB   ARG  33          HB1       ARG  33  23.292  -3.355   5.198
  247   2HB   ARG  33          HB2       ARG  33  24.782  -2.714   5.872
  248   1HG   ARG  33          HG1       ARG  33  25.143  -5.242   4.339
  249   2HG   ARG  33          HG2       ARG  33  24.213  -4.025   3.407
  250   1HD   ARG  33          HD1       ARG  33  25.895  -2.586   3.207
  251   2HD   ARG  33          HD2       ARG  33  26.767  -3.110   4.661
  252    HE   ARG  33           HE       ARG  33  26.831  -5.396   3.252
  253   1HH2  ARG  33          HH2       ARG  33  29.636  -2.656   2.265
  254   2HH2  ARG  33          HH2       ARG  33  28.345  -2.309   3.284
  255    HH1  ARG  33           HH1      ARG  33  29.830  -5.104   1.557
  256    HH1  ARG  33           HH1      ARG  33  28.657  -6.172   2.210
  257    H    GLN  34           H        GLN  34  24.079  -2.871   8.350
  258    HA   GLN  34           HA       GLN  34  26.755  -3.280   9.398
  259   1HB   GLN  34          HB1       GLN  34  25.843  -0.975   9.273
  260   2HB   GLN  34          HB2       GLN  34  24.561  -1.423  10.386
  261   1HG   GLN  34          HG1       GLN  34  26.397  -0.222  11.513
  262   2HG   GLN  34          HG2       GLN  34  26.178  -1.840  12.194
  263   1HE2  GLN  34          1HE2      GLN  34  27.855  -3.576  11.663
  264   2HE2  GLN  34          2HE2      GLN  34  29.447  -2.953  11.270
  265    H    ARG  35           H        ARG  35  23.469  -3.318  10.847
  266    HA   ARG  35           HA       ARG  35  24.265  -4.338  13.379
  267   1HB   ARG  35          HB1       ARG  35  21.663  -3.981  11.996
  268   2HB   ARG  35          HB2       ARG  35  21.703  -5.440  12.968
  269   1HG   ARG  35          HG1       ARG  35  22.622  -3.927  14.853
  270   2HG   ARG  35          HG2       ARG  35  22.091  -2.596  13.813
  271   1HD   ARG  35          HD1       ARG  35  19.906  -4.049  13.617
  272   2HD   ARG  35          HD2       ARG  35  20.446  -4.880  15.053
  273    HE   ARG  35           HE       ARG  35  19.453  -2.116  14.726
  274   1HH1  ARG  35          HH1       ARG  35  19.523  -1.293  18.126
  275   2HH1  ARG  35          HH1       ARG  35  18.985  -0.799  16.588
  276   1HH2  ARG  35          HH2       ARG  35  21.027  -3.237  18.369
  277   2HH2  ARG  35          HH2       ARG  35  21.109  -4.212  16.937
  278    H    TYR  36           H        TYR  36  22.844  -6.240  10.729
  279    HA   TYR  36           HA       TYR  36  23.621  -8.782  11.920
  280   1HB   TYR  36          HB1       TYR  36  21.634  -7.803   9.917
  281   2HB   TYR  36          HB2       TYR  36  22.410  -9.309   9.540
  282    HD1  TYR  36           HD1      TYR  36  22.572 -11.079  11.585
  283    HD2  TYR  36           HD2      TYR  36  19.658  -7.925  11.191
  284    HE1  TYR  36           HE1      TYR  36  21.133 -12.185  13.219
  285    HE2  TYR  36           HE2      TYR  36  18.133  -9.168  12.591
  286    HH   TYR  36           HH       TYR  36  19.052 -11.913  14.617
  287   1HN   NH2  37          HN1       NH2 237  25.046 -10.170  10.870
  288   2HN   NH2  37          HN2       NH2 237  26.235  -9.470   9.767
  Start of MODEL   10
    1   1H    TYR   1          HN1       TYR   1   3.069  26.889   5.862
    2   2H    TYR   1          HN2       TYR   1   4.684  26.813   5.945
    3   3H    TYR   1          HN3       TYR   1   3.916  26.563   4.488
    4    HA   TYR   1           HA       TYR   1   3.299  24.413   5.047
    5   1HB   TYR   1          HB1       TYR   1   5.954  25.009   6.352
    6   2HB   TYR   1          HB2       TYR   1   5.118  23.487   6.658
    7    HD1  TYR   1           HD1      TYR   1   5.760  25.635   3.589
    8    HD2  TYR   1           HD2      TYR   1   5.509  21.701   5.333
    9    HE1  TYR   1           HE1      TYR   1   6.617  24.669   1.526
   10    HE2  TYR   1           HE2      TYR   1   6.445  20.734   3.273
   11    HH   TYR   1           HH       TYR   1   6.312  21.988   0.498
   12    HA   PRO   2           HA       PRO   2   1.249  25.321   8.978
   13   1HB   PRO   2          HB1       PRO   2  -1.291  24.455   8.308
   14   2HB   PRO   2          HB2       PRO   2  -0.618  26.061   7.983
   15   1HG   PRO   2          HG1       PRO   2  -1.027  23.763   6.059
   16   2HG   PRO   2          HG2       PRO   2  -1.124  25.503   5.759
   17   1HD   PRO   2          HD1       PRO   2   1.093  23.787   5.287
   18   2HD   PRO   2          HD2       PRO   2   1.121  25.589   5.276
   19    H    SER   3           H        SER   3   2.613  23.619   9.886
   20    HA   SER   3           HA       SER   3   2.882  21.709  11.086
   21   1HB   SER   3          HB1       SER   3   0.461  22.019  11.721
   22   2HB   SER   3          HB2       SER   3   0.040  20.793  10.557
   23    HG   SER   3           HG       SER   3   1.668  19.456  11.691
   24    H    LYS   4           H        LYS   4   3.301  19.447  10.687
   25    HA   LYS   4           HA       LYS   4   3.294  18.672   7.785
   26   1HB   LYS   4          HB1       LYS   4   5.423  18.238   9.909
   27   2HB   LYS   4          HB2       LYS   4   5.246  17.304   8.425
   28   1HG   LYS   4          HG1       LYS   4   5.036  19.833   7.368
   29   2HG   LYS   4          HG2       LYS   4   6.035  20.206   8.768
   30   1HD   LYS   4          HD1       LYS   4   7.847  19.049   7.878
   31   2HD   LYS   4          HD2       LYS   4   6.843  17.812   7.125
   32   1HE   LYS   4          HE1       LYS   4   6.236  19.552   5.361
   33   2HE   LYS   4          HE2       LYS   4   7.484  20.594   6.099
   34   1HZ   LYS   4          HZ1       LYS   4   8.363  19.393   4.244
   35   2HZ   LYS   4          HZ2       LYS   4   9.077  18.825   5.588
   36   3HZ   LYS   4          HZ3       LYS   4   7.874  17.941   4.852
   37    HA   PRO   5           HA       PRO   5   0.591  15.822  10.131
   38   1HB   PRO   5          HB1       PRO   5  -1.251  15.499   8.051
   39   2HB   PRO   5          HB2       PRO   5  -1.346  16.688   9.361
   40   1HG   PRO   5          HG1       PRO   5  -0.710  17.180   6.512
   41   2HG   PRO   5          HG2       PRO   5  -1.289  18.292   7.757
   42   1HD   PRO   5          HD1       PRO   5   1.381  18.040   6.840
   43   2HD   PRO   5          HD2       PRO   5   0.776  19.035   8.195
   44    H    ASP   6           H        ASP   6   1.259  15.732   6.618
   45    HA   ASP   6           HA       ASP   6   2.487  14.266   5.305
   46   1HB   ASP   6          HB1       ASP   6   3.543  13.548   7.811
   47   2HB   ASP   6          HB2       ASP   6   2.905  12.033   7.176
   48    H    ASN   7           H        ASN   7   0.684  12.410   7.652
   49    HA   ASN   7           HA       ASN   7  -1.253  11.299   7.661
   50   1HB   ASN   7          HB1       ASN   7  -1.785  12.977   5.460
   51   2HB   ASN   7          HB2       ASN   7  -2.288  11.369   4.965
   52   1HD2  ASN   7          HD2       ASN   7  -3.637  14.016   5.833
   53   2HD2  ASN   7          HD2       ASN   7  -4.866  13.475   6.944
   54    HA   PRO   8           HA       PRO   8   0.736   7.633   5.941
   55   1HB   PRO   8          HB1       PRO   8  -0.826   5.619   7.105
   56   2HB   PRO   8          HB2       PRO   8   0.532   6.501   7.853
   57   1HG   PRO   8          HG1       PRO   8  -2.379   6.851   8.364
   58   2HG   PRO   8          HG2       PRO   8  -1.009   7.153   9.450
   59   1HD   PRO   8          HD1       PRO   8  -2.453   9.050   7.894
   60   2HD   PRO   8          HD2       PRO   8  -0.950   9.382   8.828
   61    H    GLY   9           H        GLY   9  -2.918   7.316   6.058
   62   1HA   GLY   9          HA1       GLY   9  -3.636   7.821   3.503
   63   2HA   GLY   9          HA2       GLY   9  -2.850   6.228   3.395
   64    H    GLU  10           H        GLU  10  -5.670   6.847   3.187
   65    HA   GLU  10           HA       GLU  10  -6.628   4.740   4.952
   66   1HB   GLU  10          HB1       GLU  10  -6.944   7.071   6.089
   67   2HB   GLU  10          HB2       GLU  10  -8.078   7.428   4.791
   68   1HG   GLU  10          HG1       GLU  10  -9.642   6.446   6.111
   69   2HG   GLU  10          HG2       GLU  10  -8.891   4.901   5.660
   70    H    ASP  11           H        ASP  11  -6.884   3.526   3.027
   71    HA   ASP  11           HA       ASP  11  -9.245   3.871   1.604
   72   1HB   ASP  11          HB1       ASP  11  -7.445   5.705   0.510
   73   2HB   ASP  11          HB2       ASP  11  -7.289   4.382  -0.590
   74    H    ALA  12           H        ALA  12  -5.959   2.883   1.217
   75    HA   ALA  12           HA       ALA  12  -6.780   0.223   0.082
   76   1HB   ALA  12          HB1       ALA  12  -4.643   0.104  -0.936
   77   2HB   ALA  12          HB2       ALA  12  -5.513   1.547  -1.481
   78   3HB   ALA  12          HB3       ALA  12  -4.167   1.704  -0.318
   79    HA   PRO  13           HA       PRO  13  -5.051  -0.294   4.330
   80   1HB   PRO  13          HB1       PRO  13  -6.656  -2.478   5.039
   81   2HB   PRO  13          HB2       PRO  13  -7.068  -0.759   5.327
   82   1HG   PRO  13          HG1       PRO  13  -8.267  -2.582   3.341
   83   2HG   PRO  13          HG2       PRO  13  -8.868  -1.061   4.045
   84   1HD   PRO  13          HD1       PRO  13  -7.649  -1.385   1.490
   85   2HD   PRO  13          HD2       PRO  13  -8.122   0.140   2.333
   86    H    ALA  14           H        ALA  14  -3.314  -1.728   4.684
   87    HA   ALA  14           HA       ALA  14  -2.047  -3.605   4.703
   88   1HB   ALA  14          HB1       ALA  14  -4.197  -4.931   4.357
   89   2HB   ALA  14          HB2       ALA  14  -3.682  -5.103   2.671
   90   3HB   ALA  14          HB3       ALA  14  -2.636  -5.667   3.974
   91    H    GLU  15           H        GLU  15  -3.405  -3.262   1.407
   92    HA   GLU  15           HA       GLU  15  -1.165  -3.691  -0.043
   93   1HB   GLU  15          HB1       GLU  15  -3.477  -3.297  -0.980
   94   2HB   GLU  15          HB2       GLU  15  -3.194  -1.567  -0.778
   95   1HG   GLU  15          HG1       GLU  15  -2.682  -2.276  -3.072
   96   2HG   GLU  15          HG2       GLU  15  -1.215  -1.705  -2.254
   97    H    ASP  16           H        ASP  16  -2.142  -0.603   1.516
   98    HA   ASP  16           HA       ASP  16  -0.074   1.122   0.690
   99   1HB   ASP  16          HB1       ASP  16  -2.098   1.705   2.176
  100   2HB   ASP  16          HB2       ASP  16  -1.184   0.980   3.510
  101    H    LEU  17           H        LEU  17  -0.019  -1.186   3.311
  102    HA   LEU  17           HA       LEU  17   2.524  -0.549   4.424
  103   1HB   LEU  17          HB1       LEU  17   1.471  -3.394   4.205
  104   2HB   LEU  17          HB2       LEU  17   2.554  -2.722   5.405
  105    HG   LEU  17           HG       LEU  17  -0.413  -2.216   5.085
  106   1HD1  LEU  17          HD1       LEU  17  -0.680  -3.455   6.980
  107   2HD1  LEU  17          HD1       LEU  17   0.705  -4.293   6.287
  108   3HD1  LEU  17          HD1       LEU  17   0.953  -3.133   7.600
  109   1HD2  LEU  17          HD2       LEU  17   0.111  -0.084   5.686
  110   2HD2  LEU  17          HD2       LEU  17  -0.046  -0.826   7.278
  111   3HD2  LEU  17          HD2       LEU  17   1.568  -0.540   6.586
  112    H    ALA  18           H        ALA  18   1.625  -2.587   1.675
  113    HA   ALA  18           HA       ALA  18   4.170  -3.667   1.018
  114   1HB   ALA  18          HB1       ALA  18   3.131  -4.601  -0.694
  115   2HB   ALA  18          HB2       ALA  18   1.639  -3.849  -0.137
  116   3HB   ALA  18          HB3       ALA  18   2.647  -3.056  -1.375
  117    H    ARG  19           H        ARG  19   2.715  -0.515   0.279
  118    HA   ARG  19           HA       ARG  19   4.763   0.420  -1.558
  119   1HB   ARG  19          HB1       ARG  19   2.236   1.341  -0.832
  120   2HB   ARG  19          HB2       ARG  19   3.273   2.409   0.088
  121   1HG   ARG  19          HG1       ARG  19   3.016   3.449  -1.959
  122   2HG   ARG  19          HG2       ARG  19   4.622   2.728  -2.047
  123   1HD   ARG  19          HD1       ARG  19   3.763   1.993  -4.133
  124   2HD   ARG  19          HD2       ARG  19   3.056   0.703  -3.114
  125    HE   ARG  19           HE       ARG  19   0.989   1.529  -3.487
  126   1HH1  ARG  19          HH1       ARG  19   0.082   4.433  -5.340
  127   2HH1  ARG  19          HH1       ARG  19  -0.498   3.004  -4.553
  128   1HH2  ARG  19          HH2       ARG  19   2.464   5.064  -5.050
  129   2HH2  ARG  19          HH2       ARG  19   3.393   3.962  -4.097
  130    H    TYR  20           H        TYR  20   3.986   1.030   1.832
  131    HA   TYR  20           HA       TYR  20   6.422   2.474   2.487
  132   1HB   TYR  20          HB1       TYR  20   4.643   2.836   3.961
  133   2HB   TYR  20          HB2       TYR  20   4.277   1.116   4.086
  134    HD1  TYR  20           HD1      TYR  20   4.509   0.306   6.159
  135    HD2  TYR  20           HD2      TYR  20   7.406   3.155   4.733
  136    HE1  TYR  20           HE1      TYR  20   5.747   0.055   8.225
  137    HE2  TYR  20           HE2      TYR  20   8.647   2.932   6.831
  138    HH   TYR  20           HH       TYR  20   8.416   2.266   9.174
  139    H    TYR  21           H        TYR  21   5.708  -0.880   2.154
  140    HA   TYR  21           HA       TYR  21   7.804  -1.917   3.622
  141   1HB   TYR  21          HB1       TYR  21   5.818  -2.967   2.006
  142   2HB   TYR  21          HB2       TYR  21   7.261  -3.439   1.141
  143    HD1  TYR  21           HD1      TYR  21   6.112  -3.125   4.748
  144    HD2  TYR  21           HD2      TYR  21   7.389  -5.702   1.549
  145    HE1  TYR  21           HE1      TYR  21   6.121  -5.033   6.299
  146    HE2  TYR  21           HE2      TYR  21   7.351  -7.624   3.074
  147    HH   TYR  21           HH       TYR  21   6.864  -7.210   6.604
  148    H    SER  22           H        SER  22   7.753  -0.879   0.210
  149    HA   SER  22           HA       SER  22  10.221  -1.808  -0.406
  150   1HB   SER  22          HB1       SER  22   8.322  -0.393  -1.825
  151   2HB   SER  22          HB2       SER  22   9.509   0.893  -1.604
  152    HG   SER  22           HG       SER  22  10.672  -1.445  -2.362
  153    H    ALA  23           H        ALA  23   9.269   1.313   0.923
  154    HA   ALA  23           HA       ALA  23  11.946   2.380   1.067
  155   1HB   ALA  23          HB1       ALA  23  11.153   4.243   2.017
  156   2HB   ALA  23          HB2       ALA  23   9.783   3.743   1.015
  157   3HB   ALA  23          HB3       ALA  23   9.721   3.498   2.772
  158    H    LEU  24           H        LEU  24   9.853   0.736   3.558
  159    HA   LEU  24           HA       LEU  24  11.591   0.797   5.660
  160   1HB   LEU  24          HB1       LEU  24   9.037   0.347   5.355
  161   2HB   LEU  24          HB2       LEU  24   9.520  -1.252   4.798
  162    HG   LEU  24           HG       LEU  24  10.627  -1.668   6.629
  163   1HD1  LEU  24          HD1       LEU  24  11.512   0.107   7.829
  164   2HD1  LEU  24          HD1       LEU  24  10.091   1.148   7.550
  165   3HD1  LEU  24          HD1       LEU  24  10.067  -0.046   8.853
  166   1HD2  LEU  24          HD2       LEU  24   8.825  -2.537   7.615
  167   2HD2  LEU  24          HD2       LEU  24   8.232  -1.011   8.234
  168   3HD2  LEU  24          HD2       LEU  24   7.842  -1.488   6.611
  169    H    ARG  25           H        ARG  25  11.419  -1.301   2.776
  170    HA   ARG  25           HA       ARG  25  13.155  -3.265   3.944
  171   1HB   ARG  25          HB1       ARG  25  11.881  -4.002   2.002
  172   2HB   ARG  25          HB2       ARG  25  12.219  -2.553   1.097
  173   1HG   ARG  25          HG1       ARG  25  14.353  -3.042   0.503
  174   2HG   ARG  25          HG2       ARG  25  14.565  -4.320   1.722
  175   1HD   ARG  25          HD1       ARG  25  13.300  -5.851   0.590
  176   2HD   ARG  25          HD2       ARG  25  12.533  -4.686  -0.494
  177    HE   ARG  25           HE       ARG  25  15.195  -5.931  -0.690
  178   1HH1  ARG  25          HH1       ARG  25  16.036  -4.199  -3.673
  179   2HH1  ARG  25          HH1       ARG  25  16.475  -5.492  -2.609
  180   1HH2  ARG  25          HH2       ARG  25  14.173  -2.755  -3.062
  181   2HH2  ARG  25          HH2       ARG  25  13.300  -3.167  -1.640
  182    H    HIS  26           H        HIS  26  13.657  -0.560   1.730
  183    HA   HIS  26           HA       HIS  26  16.375  -0.992   1.252
  184   1HB   HIS  26          HB1       HIS  26  14.789   0.755   0.312
  185   2HB   HIS  26          HB2       HIS  26  15.052   1.672   1.825
  186    HD1  HIS  26           HD1      HIS  26  17.653  -0.121  -0.396
  187    HD2  HIS  26           HD2      HIS  26  16.665   3.571   1.270
  188    HE1  HIS  26           HE1      HIS  26  19.557   1.391  -1.080
  189    H    TYR  27           H        TYR  27  14.853   0.605   3.996
  190    HA   TYR  27           HA       TYR  27  17.213   1.184   5.521
  191   1HB   TYR  27          HB1       TYR  27  14.306   1.013   6.029
  192   2HB   TYR  27          HB2       TYR  27  15.444   0.743   7.387
  193    HD1  TYR  27           HD1      TYR  27  16.799   2.391   8.333
  194    HD2  TYR  27           HD2      TYR  27  14.440   3.232   4.843
  195    HE1  TYR  27           HE1      TYR  27  17.117   4.815   8.710
  196    HE2  TYR  27           HE2      TYR  27  14.802   5.678   5.198
  197    HH   TYR  27           HH       TYR  27  15.281   7.152   6.698
  198    H    ILE  28           H        ILE  28  14.759  -1.408   6.207
  199    HA   ILE  28           HA       ILE  28  16.359  -2.733   7.876
  200    HB   ILE  28           HB       ILE  28  14.152  -3.605   6.113
  201   1HG1  ILE  28          1HG1      ILE  28  12.995  -3.796   8.208
  202   2HG1  ILE  28          2HG1      ILE  28  14.494  -3.832   9.139
  203   1HG2  ILE  28          1HG2      ILE  28  15.783  -5.485   7.853
  204   2HG2  ILE  28          2HG2      ILE  28  14.164  -5.850   7.229
  205   3HG2  ILE  28          3HG2      ILE  28  15.512  -5.621   6.106
  206   1HD1  ILE  28          1HD1      ILE  28  13.201  -1.767   9.425
  207   2HD1  ILE  28          2HD1      ILE  28  14.794  -1.401   8.746
  208   3HD1  ILE  28          3HD1      ILE  28  13.352  -1.401   7.720
  209    H    ASN  29           H        ASN  29  16.774  -2.866   4.494
  210    HA   ASN  29           HA       ASN  29  18.665  -5.070   4.168
  211   1HB   ASN  29          HB1       ASN  29  17.510  -4.197   2.278
  212   2HB   ASN  29          HB2       ASN  29  17.930  -2.560   2.675
  213   1HD2  ASN  29          HD2       ASN  29  19.700  -1.615   1.730
  214   2HD2  ASN  29          HD2       ASN  29  20.968  -2.560   0.931
  215    H    LEU  30           H        LEU  30  19.082  -1.564   4.487
  216    HA   LEU  30           HA       LEU  30  21.984  -1.934   4.662
  217   1HB   LEU  30          HB1       LEU  30  22.251   0.446   4.816
  218   2HB   LEU  30          HB2       LEU  30  21.191  -0.069   3.454
  219    HG   LEU  30           HG       LEU  30  19.278   0.506   4.828
  220   1HD1  LEU  30          HD1       LEU  30  20.289   2.566   6.535
  221   2HD1  LEU  30          HD1       LEU  30  19.407   1.130   6.993
  222   3HD1  LEU  30          HD1       LEU  30  21.176   1.127   6.963
  223   1HD2  LEU  30          HD2       LEU  30  19.679   2.928   4.476
  224   2HD2  LEU  30          HD2       LEU  30  21.313   2.485   3.882
  225   3HD2  LEU  30          HD2       LEU  30  19.848   1.865   3.078
  226    H    ILE  31           H        ILE  31  19.432  -1.021   6.837
  227    HA   ILE  31           HA       ILE  31  20.868  -0.433   9.134
  228    HB   ILE  31           HB       ILE  31  18.189  -0.737   8.420
  229   1HG1  ILE  31          1HG1      ILE  31  19.308   0.809  10.186
  230   2HG1  ILE  31          2HG1      ILE  31  17.584   0.466  10.111
  231   1HG2  ILE  31          1HG2      ILE  31  17.089  -2.209  10.018
  232   2HG2  ILE  31          2HG2      ILE  31  18.129  -3.081   8.919
  233   3HG2  ILE  31          3HG2      ILE  31  18.653  -2.856  10.569
  234   1HD1  ILE  31          1HD1      ILE  31  18.733   0.285  12.437
  235   2HD1  ILE  31          2HD1      ILE  31  17.704  -1.064  11.957
  236   3HD1  ILE  31          3HD1      ILE  31  19.490  -1.170  11.828
  237    H    THR  32           H        THR  32  19.816  -3.594   7.777
  238    HA   THR  32           HA       THR  32  20.965  -5.153   9.869
  239    HB   THR  32           HB       THR  32  20.882  -6.989   8.312
  240    HG1  THR  32           HG1      THR  32  21.028  -5.669   6.315
  241   1HG2  THR  32          1HG2      THR  32  18.192  -6.639   8.027
  242   2HG2  THR  32          2HG2      THR  32  18.974  -6.961   9.600
  243   3HG2  THR  32          3HG2      THR  32  18.535  -5.317   9.144
  244    H    ARG  33           H        ARG  33  22.208  -3.891   6.737
  245    HA   ARG  33           HA       ARG  33  24.483  -5.327   6.449
  246   1HB   ARG  33          HB1       ARG  33  23.544  -3.022   5.417
  247   2HB   ARG  33          HB2       ARG  33  25.027  -2.420   6.117
  248   1HG   ARG  33          HG1       ARG  33  25.531  -4.853   4.616
  249   2HG   ARG  33          HG2       ARG  33  24.405  -3.854   3.695
  250   1HD   ARG  33          HD1       ARG  33  26.040  -1.976   3.680
  251   2HD   ARG  33          HD2       ARG  33  26.999  -2.806   4.895
  252    HE   ARG  33           HE       ARG  33  27.958  -4.190   3.468
  253   1HH1  ARG  33          HH1       ARG  33  27.514  -4.739  -0.004
  254   2HH1  ARG  33          HH1       ARG  33  28.483  -5.085   1.386
  255   1HH2  ARG  33          HH2       ARG  33  25.555  -3.301   0.278
  256   2HH2  ARG  33          HH2       ARG  33  25.230  -2.723   1.888
  257    H    GLN  34           H        GLN  34  24.192  -2.527   8.572
  258    HA   GLN  34           HA       GLN  34  26.834  -2.935   9.730
  259   1HB   GLN  34          HB1       GLN  34  26.091  -0.637   9.300
  260   2HB   GLN  34          HB2       GLN  34  24.696  -0.900  10.355
  261   1HG   GLN  34          HG1       GLN  34  26.201   0.202  11.777
  262   2HG   GLN  34          HG2       GLN  34  26.473  -1.473  12.226
  263   1HE2  GLN  34          1HE2      GLN  34  28.701  -1.927  12.461
  264   2HE2  GLN  34          2HE2      GLN  34  29.933  -1.084  11.545
  265    H    ARG  35           H        ARG  35  23.382  -2.874  10.830
  266    HA   ARG  35           HA       ARG  35  23.897  -3.506  13.512
  267   1HB   ARG  35          HB1       ARG  35  21.756  -2.640  12.669
  268   2HB   ARG  35          HB2       ARG  35  21.390  -4.201  11.903
  269   1HG   ARG  35          HG1       ARG  35  21.279  -5.326  13.983
  270   2HG   ARG  35          HG2       ARG  35  21.947  -3.927  14.860
  271   1HD   ARG  35          HD1       ARG  35  19.936  -2.596  14.143
  272   2HD   ARG  35          HD2       ARG  35  19.281  -4.073  13.376
  273    HE   ARG  35           HE       ARG  35  20.089  -4.356  16.176
  274   1HH1  ARG  35          HH1       ARG  35  16.823  -4.331  17.496
  275   2HH1  ARG  35          HH1       ARG  35  18.491  -4.655  17.800
  276   1HH2  ARG  35          HH2       ARG  35  16.191  -3.497  15.254
  277   2HH2  ARG  35          HH2       ARG  35  17.480  -3.238  14.132
  278    H    TYR  36           H        TYR  36  22.915  -5.687  10.911
  279    HA   TYR  36           HA       TYR  36  23.543  -8.144  12.451
  280   1HB   TYR  36          HB1       TYR  36  21.502  -7.374  10.455
  281   2HB   TYR  36          HB2       TYR  36  22.385  -8.807   9.977
  282    HD1  TYR  36           HD1      TYR  36  21.291 -10.785  10.576
  283    HD2  TYR  36           HD2      TYR  36  21.043  -7.379  13.205
  284    HE1  TYR  36           HE1      TYR  36  19.898 -12.081  12.121
  285    HE2  TYR  36           HE2      TYR  36  19.645  -8.673  14.761
  286    HH   TYR  36           HH       TYR  36  19.419 -11.474  15.213
  287   1HN   NH2  37          HN1       NH2 237  24.454  -9.898  10.930
  288   2HN   NH2  37          HN2       NH2 237  25.784  -9.350   9.910
  Start of MODEL   11
    1   1H    TYR   1          HN1       TYR   1 -14.647 -24.342   4.550
    2   2H    TYR   1          HN2       TYR   1 -13.767 -25.717   4.423
    3   3H    TYR   1          HN3       TYR   1 -14.192 -25.132   5.938
    4    HA   TYR   1           HA       TYR   1 -12.829 -23.208   4.383
    5   1HB   TYR   1          HB1       TYR   1 -12.759 -24.183   7.176
    6   2HB   TYR   1          HB2       TYR   1 -11.153 -24.110   6.454
    7    HD1  TYR   1           HD1      TYR   1 -14.010 -22.239   7.517
    8    HD2  TYR   1           HD2      TYR   1  -9.993 -22.128   6.023
    9    HE1  TYR   1           HE1      TYR   1 -13.869 -19.898   8.139
   10    HE2  TYR   1           HE2      TYR   1  -9.787 -19.824   6.666
   11    HH   TYR   1           HH       TYR   1 -10.880 -17.978   7.439
   12    HA   PRO   2           HA       PRO   2  -9.226 -26.492   3.915
   13   1HB   PRO   2          HB1       PRO   2  -9.720 -29.051   4.616
   14   2HB   PRO   2          HB2       PRO   2  -8.942 -27.835   5.646
   15   1HG   PRO   2          HG1       PRO   2 -11.599 -29.039   5.878
   16   2HG   PRO   2          HG2       PRO   2 -10.668 -28.180   7.113
   17   1HD   PRO   2          HD1       PRO   2 -12.831 -27.271   5.530
   18   2HD   PRO   2          HD2       PRO   2 -11.834 -26.335   6.714
   19    H    SER   3           H        SER   3 -10.641 -25.638   1.925
   20    HA   SER   3           HA       SER   3 -10.872 -27.879   0.100
   21   1HB   SER   3          HB1       SER   3 -13.112 -27.054  -0.597
   22   2HB   SER   3          HB2       SER   3 -13.093 -28.129   0.806
   23    HG   SER   3           HG       SER   3 -14.068 -25.586   0.696
   24    H    LYS   4           H        LYS   4 -12.350 -24.712   0.117
   25    HA   LYS   4           HA       LYS   4 -11.376 -24.056  -2.457
   26   1HB   LYS   4          HB1       LYS   4 -12.271 -21.727  -1.979
   27   2HB   LYS   4          HB2       LYS   4 -13.377 -22.976  -1.451
   28   1HG   LYS   4          HG1       LYS   4 -13.410 -21.702   0.409
   29   2HG   LYS   4          HG2       LYS   4 -12.062 -22.739   0.852
   30   1HD   LYS   4          HD1       LYS   4 -10.874 -20.563  -0.622
   31   2HD   LYS   4          HD2       LYS   4 -12.202 -19.858   0.257
   32   1HE   LYS   4          HE1       LYS   4 -10.868 -21.518   2.187
   33   2HE   LYS   4          HE2       LYS   4  -9.555 -20.941   1.180
   34   1HZ   LYS   4          HZ1       LYS   4 -10.012 -18.774   1.729
   35   2HZ   LYS   4          HZ2       LYS   4 -11.544 -19.134   2.269
   36   3HZ   LYS   4          HZ3       LYS   4 -10.204 -19.607   3.136
   37    HA   PRO   5           HA       PRO   5  -7.260 -22.786  -1.726
   38   1HB   PRO   5          HB1       PRO   5  -6.897 -20.839  -3.676
   39   2HB   PRO   5          HB2       PRO   5  -7.001 -22.604  -3.951
   40   1HG   PRO   5          HG1       PRO   5  -9.007 -20.566  -4.688
   41   2HG   PRO   5          HG2       PRO   5  -8.635 -22.247  -5.216
   42   1HD   PRO   5          HD1       PRO   5 -10.662 -21.356  -3.384
   43   2HD   PRO   5          HD2       PRO   5 -10.329 -22.998  -3.989
   44    H    ASP   6           H        ASP   6  -8.866 -19.703  -2.669
   45    HA   ASP   6           HA       ASP   6  -8.791 -18.537  -0.017
   46   1HB   ASP   6          HB1       ASP   6  -6.236 -18.638  -0.849
   47   2HB   ASP   6          HB2       ASP   6  -6.769 -17.211  -1.842
   48    H    ASN   7           H        ASN   7  -8.398 -17.857  -3.418
   49    HA   ASN   7           HA       ASN   7  -9.635 -16.624  -4.951
   50   1HB   ASN   7          HB1       ASN   7 -11.580 -17.826  -3.363
   51   2HB   ASN   7          HB2       ASN   7 -12.035 -16.102  -3.274
   52   1HD2  ASN   7          HD2       ASN   7 -11.942 -18.851  -5.237
   53   2HD2  ASN   7          HD2       ASN   7 -12.343 -17.999  -6.740
   54    HA   PRO   8           HA       PRO   8  -8.384 -12.862  -2.534
   55   1HB   PRO   8          HB1       PRO   8  -6.751 -11.737  -4.522
   56   2HB   PRO   8          HB2       PRO   8  -6.237 -12.876  -3.250
   57   1HG   PRO   8          HG1       PRO   8  -6.898 -13.346  -6.157
   58   2HG   PRO   8          HG2       PRO   8  -5.708 -14.180  -5.094
   59   1HD   PRO   8          HD1       PRO   8  -8.281 -14.981  -5.937
   60   2HD   PRO   8          HD2       PRO   8  -7.310 -15.798  -4.664
   61    H    GLY   9           H        GLY   9 -10.844 -12.864  -3.238
   62   1HA   GLY   9          HA1       GLY   9 -11.684 -11.235  -5.481
   63   2HA   GLY   9          HA2       GLY   9 -12.603 -11.899  -4.107
   64    H    GLU  10           H        GLU  10  -9.830  -9.630  -4.508
   65    HA   GLU  10           HA       GLU  10 -11.345  -7.512  -3.078
   66   1HB   GLU  10          HB1       GLU  10  -9.529  -9.044  -1.685
   67   2HB   GLU  10          HB2       GLU  10  -8.404  -7.917  -2.385
   68   1HG   GLU  10          HG1       GLU  10  -9.096  -6.327  -0.815
   69   2HG   GLU  10          HG2       GLU  10 -10.751  -6.429  -1.387
   70    H    ASP  11           H        ASP  11  -9.066  -5.917  -3.072
   71    HA   ASP  11           HA       ASP  11  -8.290  -5.480  -5.922
   72   1HB   ASP  11          HB1       ASP  11  -9.723  -3.521  -4.073
   73   2HB   ASP  11          HB2       ASP  11  -8.915  -3.064  -5.572
   74    H    ALA  12           H        ALA  12  -6.599  -6.571  -4.097
   75    HA   ALA  12           HA       ALA  12  -4.578  -6.257  -3.069
   76   1HB   ALA  12          HB1       ALA  12  -4.297  -5.211  -5.381
   77   2HB   ALA  12          HB2       ALA  12  -4.290  -3.656  -4.527
   78   3HB   ALA  12          HB3       ALA  12  -3.065  -4.913  -4.169
   79    HA   PRO  13           HA       PRO  13  -6.518  -3.199  -0.141
   80   1HB   PRO  13          HB1       PRO  13  -6.415  -4.864   2.111
   81   2HB   PRO  13          HB2       PRO  13  -7.760  -4.628   0.933
   82   1HG   PRO  13          HG1       PRO  13  -5.915  -6.979   1.260
   83   2HG   PRO  13          HG2       PRO  13  -7.543  -6.904   0.568
   84   1HD   PRO  13          HD1       PRO  13  -5.045  -6.888  -0.833
   85   2HD   PRO  13          HD2       PRO  13  -6.673  -6.659  -1.536
   86    H    ALA  14           H        ALA  14  -5.224  -1.842   1.068
   87    HA   ALA  14           HA       ALA  14  -3.389  -1.078   2.252
   88   1HB   ALA  14          HB1       ALA  14  -2.442  -2.339   3.708
   89   2HB   ALA  14          HB2       ALA  14  -3.275  -3.771   3.090
   90   3HB   ALA  14          HB3       ALA  14  -1.686  -3.412   2.504
   91    H    GLU  15           H        GLU  15  -3.527  -1.839  -0.768
   92    HA   GLU  15           HA       GLU  15  -1.114  -2.335  -1.761
   93   1HB   GLU  15          HB1       GLU  15  -3.484  -1.386  -2.766
   94   2HB   GLU  15          HB2       GLU  15  -2.519   0.000  -3.057
   95   1HG   GLU  15          HG1       GLU  15  -0.870  -2.050  -3.960
   96   2HG   GLU  15          HG2       GLU  15  -2.472  -2.577  -4.446
   97    H    ASP  16           H        ASP  16  -2.141   0.701  -0.349
   98    HA   ASP  16           HA       ASP  16   0.181   2.242  -1.000
   99   1HB   ASP  16          HB1       ASP  16  -2.382   2.838   0.180
  100   2HB   ASP  16          HB2       ASP  16  -1.234   3.112   1.495
  101    H    LEU  17           H        LEU  17  -0.850   0.437   1.820
  102    HA   LEU  17           HA       LEU  17   1.375   1.034   3.528
  103   1HB   LEU  17          HB1       LEU  17   0.116  -0.122   4.931
  104   2HB   LEU  17          HB2       LEU  17  -0.956  -0.604   3.641
  105    HG   LEU  17           HG       LEU  17   0.415  -2.576   3.200
  106   1HD1  LEU  17          HD1       LEU  17   2.595  -2.605   3.912
  107   2HD1  LEU  17          HD1       LEU  17   2.301  -1.260   5.041
  108   3HD1  LEU  17          HD1       LEU  17   2.043  -2.927   5.542
  109   1HD2  LEU  17          HD2       LEU  17  -0.883  -3.683   4.644
  110   2HD2  LEU  17          HD2       LEU  17   0.045  -3.189   6.043
  111   3HD2  LEU  17          HD2       LEU  17  -1.235  -2.136   5.472
  112    H    ALA  18           H        ALA  18   0.832  -1.381   0.954
  113    HA   ALA  18           HA       ALA  18   3.336  -2.728   1.278
  114   1HB   ALA  18          HB1       ALA  18   2.903  -3.718  -0.838
  115   2HB   ALA  18          HB2       ALA  18   1.384  -3.514   0.041
  116   3HB   ALA  18          HB3       ALA  18   1.773  -2.424  -1.301
  117    H    ARG  19           H        ARG  19   2.617   0.394   0.037
  118    HA   ARG  19           HA       ARG  19   4.915   0.680  -1.696
  119   1HB   ARG  19          HB1       ARG  19   2.508   2.096  -1.379
  120   2HB   ARG  19          HB2       ARG  19   3.623   3.097  -0.457
  121   1HG   ARG  19          HG1       ARG  19   3.602   3.869  -2.697
  122   2HG   ARG  19          HG2       ARG  19   5.139   2.994  -2.464
  123   1HD   ARG  19          HD1       ARG  19   3.441   0.943  -3.317
  124   2HD   ARG  19          HD2       ARG  19   2.686   2.328  -4.101
  125    HE   ARG  19           HE       ARG  19   5.488   2.473  -4.532
  126   1HH1  ARG  19          HH1       ARG  19   5.821   0.339  -7.296
  127   2HH1  ARG  19          HH1       ARG  19   6.555   1.560  -6.324
  128   1HH2  ARG  19          HH2       ARG  19   3.553  -0.414  -6.723
  129   2HH2  ARG  19          HH2       ARG  19   2.860   0.245  -5.294
  130    H    TYR  20           H        TYR  20   4.039   1.500   1.621
  131    HA   TYR  20           HA       TYR  20   6.512   2.882   2.279
  132   1HB   TYR  20          HB1       TYR  20   4.655   1.451   4.180
  133   2HB   TYR  20          HB2       TYR  20   5.707   2.828   4.523
  134    HD1  TYR  20           HD1      TYR  20   2.774   2.653   5.173
  135    HD2  TYR  20           HD2      TYR  20   4.782   4.246   1.680
  136    HE1  TYR  20           HE1      TYR  20   0.971   4.264   4.825
  137    HE2  TYR  20           HE2      TYR  20   2.870   5.651   1.224
  138    HH   TYR  20           HH       TYR  20   0.007   5.899   3.312
  139    H    TYR  21           H        TYR  21   5.649  -0.406   1.977
  140    HA   TYR  21           HA       TYR  21   7.574  -1.589   3.727
  141   1HB   TYR  21          HB1       TYR  21   5.433  -2.401   2.143
  142   2HB   TYR  21          HB2       TYR  21   6.778  -2.936   1.116
  143    HD1  TYR  21           HD1      TYR  21   8.713  -4.195   2.613
  144    HD2  TYR  21           HD2      TYR  21   4.459  -4.076   3.351
  145    HE1  TYR  21           HE1      TYR  21   8.892  -6.196   3.962
  146    HE2  TYR  21           HE2      TYR  21   4.642  -6.076   4.726
  147    HH   TYR  21           HH       TYR  21   6.660  -7.250   6.188
  148    H    SER  22           H        SER  22   7.683  -0.663   0.210
  149    HA   SER  22           HA       SER  22  10.092  -1.798  -0.280
  150   1HB   SER  22          HB1       SER  22   8.442   0.252  -1.613
  151   2HB   SER  22          HB2       SER  22  10.180   0.511  -1.857
  152    HG   SER  22           HG       SER  22   9.736  -0.871  -3.307
  153    H    ALA  23           H        ALA  23   9.388   1.344   1.065
  154    HA   ALA  23           HA       ALA  23  12.171   2.206   1.168
  155   1HB   ALA  23          HB1       ALA  23  10.710   3.626   3.162
  156   2HB   ALA  23          HB2       ALA  23  11.051   4.159   1.507
  157   3HB   ALA  23          HB3       ALA  23   9.533   3.338   1.878
  158    H    LEU  24           H        LEU  24   9.891   0.520   3.313
  159    HA   LEU  24           HA       LEU  24  11.763   0.591   5.490
  160   1HB   LEU  24          HB1       LEU  24   9.172  -0.741   4.860
  161   2HB   LEU  24          HB2       LEU  24  10.411  -1.718   5.733
  162    HG   LEU  24           HG       LEU  24   9.127   0.779   6.718
  163   1HD1  LEU  24          HD1       LEU  24   9.225  -2.001   7.995
  164   2HD1  LEU  24          HD1       LEU  24   8.119  -0.630   8.305
  165   3HD1  LEU  24          HD1       LEU  24   7.992  -1.547   6.810
  166   1HD2  LEU  24          HD2       LEU  24  10.578  -0.102   8.777
  167   2HD2  LEU  24          HD2       LEU  24  11.577  -0.839   7.496
  168   3HD2  LEU  24          HD2       LEU  24  11.324   0.930   7.528
  169    H    ARG  25           H        ARG  25  11.403  -1.549   2.684
  170    HA   ARG  25           HA       ARG  25  13.106  -3.596   3.579
  171   1HB   ARG  25          HB1       ARG  25  11.974  -4.170   1.681
  172   2HB   ARG  25          HB2       ARG  25  12.203  -2.627   0.847
  173   1HG   ARG  25          HG1       ARG  25  14.336  -3.018   0.123
  174   2HG   ARG  25          HG2       ARG  25  14.636  -4.306   1.335
  175   1HD   ARG  25          HD1       ARG  25  13.257  -5.828   0.228
  176   2HD   ARG  25          HD2       ARG  25  12.743  -4.581  -0.949
  177    HE   ARG  25           HE       ARG  25  15.644  -5.005  -0.743
  178   1HH1  ARG  25          HH1       ARG  25  15.854  -6.831  -3.795
  179   2HH1  ARG  25          HH1       ARG  25  16.711  -5.962  -2.587
  180   1HH2  ARG  25          HH2       ARG  25  13.407  -7.019  -3.481
  181   2HH2  ARG  25          HH2       ARG  25  12.691  -6.223  -2.113
  182    H    HIS  26           H        HIS  26  13.798  -0.661   1.637
  183    HA   HIS  26           HA       HIS  26  16.530  -1.080   1.201
  184   1HB   HIS  26          HB1       HIS  26  15.013   0.806   0.254
  185   2HB   HIS  26          HB2       HIS  26  15.328   1.579   1.822
  186    HD1  HIS  26           HD1      HIS  26  17.968  -0.205  -0.305
  187    HD2  HIS  26           HD2      HIS  26  16.870   3.611   1.077
  188    HE1  HIS  26           HE1      HIS  26  19.878   1.361  -0.924
  189    H    TYR  27           H        TYR  27  14.855   0.572   3.845
  190    HA   TYR  27           HA       TYR  27  17.089   1.260   5.508
  191   1HB   TYR  27          HB1       TYR  27  14.189   0.989   5.845
  192   2HB   TYR  27          HB2       TYR  27  15.165   0.659   7.320
  193    HD1  TYR  27           HD1      TYR  27  16.810   2.220   8.231
  194    HD2  TYR  27           HD2      TYR  27  14.040   3.243   5.084
  195    HE1  TYR  27           HE1      TYR  27  17.098   4.592   8.783
  196    HE2  TYR  27           HE2      TYR  27  14.337   5.601   5.582
  197    HH   TYR  27           HH       TYR  27  16.751   6.911   7.281
  198    H    ILE  28           H        ILE  28  14.805  -1.422   6.068
  199    HA   ILE  28           HA       ILE  28  16.319  -2.735   7.933
  200    HB   ILE  28           HB       ILE  28  14.463  -3.903   5.916
  201   1HG1  ILE  28          1HG1      ILE  28  14.068  -3.381   8.903
  202   2HG1  ILE  28          2HG1      ILE  28  13.686  -2.135   7.733
  203   1HG2  ILE  28          1HG2      ILE  28  15.782  -5.791   6.720
  204   2HG2  ILE  28          2HG2      ILE  28  15.760  -5.196   8.388
  205   3HG2  ILE  28          3HG2      ILE  28  14.306  -5.849   7.651
  206   1HD1  ILE  28          1HD1      ILE  28  11.880  -3.173   6.863
  207   2HD1  ILE  28          2HD1      ILE  28  12.456  -4.809   7.165
  208   3HD1  ILE  28          3HD1      ILE  28  11.818  -3.832   8.513
  209    H    ASN  29           H        ASN  29  16.901  -2.561   4.499
  210    HA   ASN  29           HA       ASN  29  18.519  -4.936   4.219
  211   1HB   ASN  29          HB1       ASN  29  17.460  -2.764   2.499
  212   2HB   ASN  29          HB2       ASN  29  19.202  -2.888   2.287
  213   1HD2  ASN  29          HD2       ASN  29  16.355  -4.673   2.571
  214   2HD2  ASN  29          HD2       ASN  29  16.624  -5.990   1.456
  215    H    LEU  30           H        LEU  30  19.085  -1.418   4.502
  216    HA   LEU  30           HA       LEU  30  21.962  -1.719   4.701
  217   1HB   LEU  30          HB1       LEU  30  22.149   0.683   4.940
  218   2HB   LEU  30          HB2       LEU  30  21.110   0.175   3.577
  219    HG   LEU  30           HG       LEU  30  19.204   0.616   4.996
  220   1HD1  LEU  30          HD1       LEU  30  20.217   2.655   6.807
  221   2HD1  LEU  30          HD1       LEU  30  19.385   1.176   7.206
  222   3HD1  LEU  30          HD1       LEU  30  21.165   1.219   7.071
  223   1HD2  LEU  30          HD2       LEU  30  20.196   3.337   4.791
  224   2HD2  LEU  30          HD2       LEU  30  20.582   2.355   3.374
  225   3HD2  LEU  30          HD2       LEU  30  18.907   2.483   3.933
  226    H    ILE  31           H        ILE  31  19.451  -0.868   6.940
  227    HA   ILE  31           HA       ILE  31  20.891  -0.438   9.214
  228    HB   ILE  31           HB       ILE  31  18.172  -0.730   8.556
  229   1HG1  ILE  31          1HG1      ILE  31  19.366   0.773  10.265
  230   2HG1  ILE  31          2HG1      ILE  31  17.648   0.393  10.339
  231   1HG2  ILE  31          1HG2      ILE  31  18.753  -2.934  10.606
  232   2HG2  ILE  31          2HG2      ILE  31  17.158  -2.319  10.141
  233   3HG2  ILE  31          3HG2      ILE  31  18.190  -3.101   8.945
  234   1HD1  ILE  31          1HD1      ILE  31  19.718  -1.257  11.861
  235   2HD1  ILE  31          2HD1      ILE  31  18.971   0.203  12.553
  236   3HD1  ILE  31          3HD1      ILE  31  17.951  -1.185  12.121
  237    H    THR  32           H        THR  32  20.023  -3.476   7.688
  238    HA   THR  32           HA       THR  32  21.179  -5.083   9.764
  239    HB   THR  32           HB       THR  32  20.953  -6.983   8.141
  240    HG1  THR  32           HG1      THR  32  19.622  -5.152   6.467
  241   1HG2  THR  32          1HG2      THR  32  18.314  -6.583   7.824
  242   2HG2  THR  32          2HG2      THR  32  19.017  -6.920   9.381
  243   3HG2  THR  32          3HG2      THR  32  18.600  -5.260   8.968
  244    H    ARG  33           H        ARG  33  22.261  -3.840   6.701
  245    HA   ARG  33           HA       ARG  33  24.481  -5.180   6.145
  246   1HB   ARG  33          HB1       ARG  33  23.526  -2.862   5.444
  247   2HB   ARG  33          HB2       ARG  33  25.079  -2.257   6.099
  248   1HG   ARG  33          HG1       ARG  33  26.068  -2.900   4.187
  249   2HG   ARG  33          HG2       ARG  33  25.476  -4.571   4.321
  250   1HD   ARG  33          HD1       ARG  33  23.305  -3.960   3.302
  251   2HD   ARG  33          HD2       ARG  33  23.724  -2.250   3.329
  252    HE   ARG  33           HE       ARG  33  25.024  -2.335   1.569
  253   1HH2  ARG  33          HH2       ARG  33  25.040  -6.431   1.258
  254   2HH2  ARG  33          HH2       ARG  33  24.341  -5.618   2.618
  255    HH1  ARG  33           HH1      ARG  33  26.047  -5.048  -0.476
  256    HH1  ARG  33           HH1      ARG  33  26.019  -3.326  -0.293
  257    H    GLN  34           H        GLN  34  24.203  -2.631   8.611
  258    HA   GLN  34           HA       GLN  34  26.889  -3.038   9.673
  259   1HB   GLN  34          HB1       GLN  34  26.251  -0.834   9.674
  260   2HB   GLN  34          HB2       GLN  34  24.652  -1.140  10.373
  261   1HG   GLN  34          HG1       GLN  34  25.434  -1.176  12.503
  262   2HG   GLN  34          HG2       GLN  34  26.935  -2.052  12.108
  263   1HE2  GLN  34          1HE2      GLN  34  25.466   1.102  12.491
  264   2HE2  GLN  34          2HE2      GLN  34  27.011   1.943  12.401
  265    H    ARG  35           H        ARG  35  23.464  -3.681  10.666
  266    HA   ARG  35           HA       ARG  35  23.963  -6.077  12.034
  267   1HB   ARG  35          HB1       ARG  35  23.690  -5.257  14.382
  268   2HB   ARG  35          HB2       ARG  35  25.274  -4.963  13.695
  269   1HG   ARG  35          HG1       ARG  35  25.073  -2.796  14.305
  270   2HG   ARG  35          HG2       ARG  35  23.885  -2.600  13.031
  271   1HD   ARG  35          HD1       ARG  35  22.452  -1.968  14.408
  272   2HD   ARG  35          HD2       ARG  35  22.219  -3.638  14.904
  273    HE   ARG  35           HE       ARG  35  24.381  -2.884  16.399
  274   1HH1  ARG  35          HH1       ARG  35  22.818  -1.126  19.050
  275   2HH1  ARG  35          HH1       ARG  35  24.238  -1.969  18.518
  276   1HH2  ARG  35          HH2       ARG  35  20.948  -0.909  17.481
  277   2HH2  ARG  35          HH2       ARG  35  21.131  -1.642  15.925
  278    H    TYR  36           H        TYR  36  21.935  -6.798  11.499
  279    HA   TYR  36           HA       TYR  36  19.626  -5.629  11.091
  280   1HB   TYR  36          HB1       TYR  36  18.739  -7.697  11.273
  281   2HB   TYR  36          HB2       TYR  36  20.411  -8.167  11.257
  282    HD1  TYR  36           HD1      TYR  36  17.320  -7.766  13.211
  283    HD2  TYR  36           HD2      TYR  36  21.510  -8.738  13.484
  284    HE1  TYR  36           HE1      TYR  36  16.939  -8.723  15.427
  285    HE2  TYR  36           HE2      TYR  36  21.144  -9.713  15.705
  286    HH   TYR  36           HH       TYR  36  19.362  -9.376  17.638
  287   1HN   NH2  37          HN1       NH2 237  17.937  -4.580  12.041
  288   2HN   NH2  37          HN2       NH2 237  17.909  -4.256  13.767
  Start of MODEL   12
    1   1H    TYR   1          HN1       TYR   1  20.438   8.792 -10.912
    2   2H    TYR   1          HN2       TYR   1  21.074  10.313 -11.042
    3   3H    TYR   1          HN3       TYR   1  21.853   9.233 -10.085
    4    HA   TYR   1           HA       TYR   1  20.178   9.443  -8.478
    5   1HB   TYR   1          HB1       TYR   1  21.191  11.218  -7.990
    6   2HB   TYR   1          HB2       TYR   1  21.381  11.824  -9.567
    7    HD1  TYR   1           HD1      TYR   1  20.339  13.798 -10.168
    8    HD2  TYR   1           HD2      TYR   1  18.420  11.373  -7.211
    9    HE1  TYR   1           HE1      TYR   1  18.713  15.637  -9.774
   10    HE2  TYR   1           HE2      TYR   1  16.713  13.121  -6.945
   11    HH   TYR   1           HH       TYR   1  15.853  15.110  -7.650
   12    HA   PRO   2           HA       PRO   2  16.377  11.481 -10.403
   13   1HB   PRO   2          HB1       PRO   2  16.646  12.178 -13.269
   14   2HB   PRO   2          HB2       PRO   2  16.831  13.161 -11.767
   15   1HG   PRO   2          HG1       PRO   2  18.679  12.022 -13.708
   16   2HG   PRO   2          HG2       PRO   2  18.855  13.478 -12.644
   17   1HD   PRO   2          HD1       PRO   2  19.714  10.802 -12.505
   18   2HD   PRO   2          HD2       PRO   2  20.040  12.131 -11.341
   19    H    SER   3           H        SER   3  15.439   9.397 -10.181
   20    HA   SER   3           HA       SER   3  14.371   8.205 -12.497
   21   1HB   SER   3          HB1       SER   3  16.780   7.269 -12.706
   22   2HB   SER   3          HB2       SER   3  16.564   6.608 -11.055
   23    HG   SER   3           HG       SER   3  15.132   6.027 -13.414
   24    H    LYS   4           H        LYS   4  13.214   6.213 -11.874
   25    HA   LYS   4           HA       LYS   4  11.529   5.266 -10.594
   26   1HB   LYS   4          HB1       LYS   4  13.984   5.302  -8.884
   27   2HB   LYS   4          HB2       LYS   4  12.486   5.146  -7.999
   28   1HG   LYS   4          HG1       LYS   4  12.535   3.440 -10.512
   29   2HG   LYS   4          HG2       LYS   4  13.879   3.178  -9.499
   30   1HD   LYS   4          HD1       LYS   4  12.758   2.175  -7.907
   31   2HD   LYS   4          HD2       LYS   4  11.439   3.332  -7.860
   32   1HE   LYS   4          HE1       LYS   4  10.371   2.456  -9.749
   33   2HE   LYS   4          HE2       LYS   4  11.630   1.214 -10.050
   34   1HZ   LYS   4          HZ1       LYS   4  10.166   1.354  -7.551
   35   2HZ   LYS   4          HZ2       LYS   4   9.545   0.569  -8.848
   36   3HZ   LYS   4          HZ3       LYS   4  11.012   0.084  -8.185
   37    HA   PRO   5           HA       PRO   5  10.001   9.276  -9.177
   38   1HB   PRO   5          HB1       PRO   5   7.668   9.129 -10.840
   39   2HB   PRO   5          HB2       PRO   5   9.199   9.914 -11.218
   40   1HG   PRO   5          HG1       PRO   5   7.925   7.475 -12.013
   41   2HG   PRO   5          HG2       PRO   5   9.194   8.404 -12.941
   42   1HD   PRO   5          HD1       PRO   5   9.590   5.991 -11.391
   43   2HD   PRO   5          HD2       PRO   5  10.850   7.047 -12.155
   44    H    ASP   6           H        ASP   6   9.697   8.528  -7.129
   45    HA   ASP   6           HA       ASP   6   7.499   6.669  -6.487
   46   1HB   ASP   6          HB1       ASP   6   9.869   6.863  -5.328
   47   2HB   ASP   6          HB2       ASP   6   9.155   8.299  -4.506
   48    H    ASN   7           H        ASN   7   5.711   7.250  -5.337
   49    HA   ASN   7           HA       ASN   7   5.167   9.800  -4.268
   50   1HB   ASN   7          HB1       ASN   7   3.543  10.626  -5.870
   51   2HB   ASN   7          HB2       ASN   7   5.177  10.783  -6.483
   52   1HD2  ASN   7          HD2       ASN   7   2.125   9.752  -7.194
   53   2HD2  ASN   7          HD2       ASN   7   2.540   8.655  -8.582
   54    HA   PRO   8           HA       PRO   8   2.184   6.456  -3.315
   55   1HB   PRO   8          HB1       PRO   8   1.936   7.065  -0.663
   56   2HB   PRO   8          HB2       PRO   8   3.123   5.990  -1.345
   57   1HG   PRO   8          HG1       PRO   8   3.604   8.667  -0.299
   58   2HG   PRO   8          HG2       PRO   8   4.766   7.323  -0.520
   59   1HD   PRO   8          HD1       PRO   8   4.324   9.664  -2.152
   60   2HD   PRO   8          HD2       PRO   8   5.398   8.262  -2.500
   61    H    GLY   9           H        GLY   9   0.286   7.188  -4.317
   62   1HA   GLY   9          HA1       GLY   9  -1.372   9.208  -2.886
   63   2HA   GLY   9          HA2       GLY   9  -1.042   9.306  -4.652
   64    H    GLU  10           H        GLU  10  -1.804   6.660  -2.293
   65    HA   GLU  10           HA       GLU  10  -4.140   5.936  -3.974
   66   1HB   GLU  10          HB1       GLU  10  -1.872   4.438  -4.017
   67   2HB   GLU  10          HB2       GLU  10  -2.749   3.675  -2.702
   68   1HG   GLU  10          HG1       GLU  10  -3.404   2.607  -4.757
   69   2HG   GLU  10          HG2       GLU  10  -4.771   3.537  -4.348
   70    H    ASP  11           H        ASP  11  -4.703   3.755  -2.169
   71    HA   ASP  11           HA       ASP  11  -5.026   4.416   0.490
   72   1HB   ASP  11          HB1       ASP  11  -6.575   6.337  -0.886
   73   2HB   ASP  11          HB2       ASP  11  -7.722   5.023  -0.964
   74    H    ALA  12           H        ALA  12  -4.687   2.183   0.565
   75    HA   ALA  12           HA       ALA  12  -7.126   0.666   0.263
   76   1HB   ALA  12          HB1       ALA  12  -5.387  -1.119  -1.048
   77   2HB   ALA  12          HB2       ALA  12  -6.682  -0.158  -1.796
   78   3HB   ALA  12          HB3       ALA  12  -5.015   0.451  -1.781
   79    HA   PRO  13           HA       PRO  13  -5.223  -1.197   3.764
   80   1HB   PRO  13          HB1       PRO  13  -6.543  -3.723   3.771
   81   2HB   PRO  13          HB2       PRO  13  -7.196  -2.165   4.370
   82   1HG   PRO  13          HG1       PRO  13  -7.915  -3.665   1.899
   83   2HG   PRO  13          HG2       PRO  13  -8.845  -2.404   2.788
   84   1HD   PRO  13          HD1       PRO  13  -7.291  -2.099   0.382
   85   2HD   PRO  13          HD2       PRO  13  -8.145  -0.856   1.367
   86    H    ALA  14           H        ALA  14  -3.429  -2.385   4.120
   87    HA   ALA  14           HA       ALA  14  -1.708  -3.879   3.919
   88   1HB   ALA  14          HB1       ALA  14  -1.915  -5.945   2.832
   89   2HB   ALA  14          HB2       ALA  14  -3.564  -5.542   3.424
   90   3HB   ALA  14          HB3       ALA  14  -3.131  -5.362   1.703
   91    H    GLU  15           H        GLU  15  -3.045  -3.331   0.632
   92    HA   GLU  15           HA       GLU  15  -0.847  -3.264  -0.909
   93   1HB   GLU  15          HB1       GLU  15  -3.423  -2.764  -1.474
   94   2HB   GLU  15          HB2       GLU  15  -2.899  -1.086  -1.203
   95   1HG   GLU  15          HG1       GLU  15  -0.911  -1.825  -2.867
   96   2HG   GLU  15          HG2       GLU  15  -2.089  -3.079  -3.315
   97    H    ASP  16           H        ASP  16  -1.917  -0.794   1.388
   98    HA   ASP  16           HA       ASP  16  -0.057   1.186   0.624
   99   1HB   ASP  16          HB1       ASP  16  -2.102   0.837   2.699
  100   2HB   ASP  16          HB2       ASP  16  -0.612   1.181   3.563
  101    H    LEU  17           H        LEU  17   0.002  -1.153   3.243
  102    HA   LEU  17           HA       LEU  17   2.574  -0.611   4.333
  103   1HB   LEU  17          HB1       LEU  17   1.493  -3.449   3.997
  104   2HB   LEU  17          HB2       LEU  17   2.587  -2.821   5.261
  105    HG   LEU  17           HG       LEU  17  -0.390  -2.366   4.842
  106   1HD1  LEU  17          HD1       LEU  17   0.560  -4.455   6.051
  107   2HD1  LEU  17          HD1       LEU  17   1.032  -3.345   7.345
  108   3HD1  LEU  17          HD1       LEU  17  -0.670  -3.512   6.898
  109   1HD2  LEU  17          HD2       LEU  17   0.737  -0.168   5.539
  110   2HD2  LEU  17          HD2       LEU  17  -0.470  -0.780   6.609
  111   3HD2  LEU  17          HD2       LEU  17   1.261  -1.001   7.005
  112    H    ALA  18           H        ALA  18   1.660  -2.430   1.448
  113    HA   ALA  18           HA       ALA  18   4.288  -3.481   0.777
  114   1HB   ALA  18          HB1       ALA  18   3.035  -2.876  -1.658
  115   2HB   ALA  18          HB2       ALA  18   2.861  -4.369  -0.714
  116   3HB   ALA  18          HB3       ALA  18   1.668  -3.110  -0.565
  117    H    ARG  19           H        ARG  19   2.748  -0.314   0.152
  118    HA   ARG  19           HA       ARG  19   4.872   0.716  -1.479
  119   1HB   ARG  19          HB1       ARG  19   2.341   1.653  -0.633
  120   2HB   ARG  19          HB2       ARG  19   3.401   2.594   0.355
  121   1HG   ARG  19          HG1       ARG  19   3.397   3.922  -1.397
  122   2HG   ARG  19          HG2       ARG  19   4.809   2.984  -1.887
  123   1HD   ARG  19          HD1       ARG  19   3.685   2.001  -3.647
  124   2HD   ARG  19          HD2       ARG  19   2.165   1.862  -2.724
  125    HE   ARG  19           HE       ARG  19   2.867   4.582  -3.480
  126   1HH1  ARG  19          HH1       ARG  19   0.119   4.771  -5.737
  127   2HH1  ARG  19          HH1       ARG  19   1.400   5.671  -4.991
  128   1HH2  ARG  19          HH2       ARG  19  -0.014   2.465  -5.415
  129   2HH2  ARG  19          HH2       ARG  19   1.063   1.674  -4.326
  130    H    TYR  20           H        TYR  20   4.117   1.138   1.949
  131    HA   TYR  20           HA       TYR  20   6.576   2.503   2.620
  132   1HB   TYR  20          HB1       TYR  20   4.820   2.803   4.171
  133   2HB   TYR  20          HB2       TYR  20   4.430   1.074   4.142
  134    HD1  TYR  20           HD1      TYR  20   4.659   0.013   6.141
  135    HD2  TYR  20           HD2      TYR  20   7.634   2.925   4.938
  136    HE1  TYR  20           HE1      TYR  20   6.159  -0.490   8.082
  137    HE2  TYR  20           HE2      TYR  20   8.850   2.580   6.969
  138    HH   TYR  20           HH       TYR  20   8.083   1.558   9.555
  139    H    TYR  21           H        TYR  21   5.858  -0.790   1.937
  140    HA   TYR  21           HA       TYR  21   7.808  -2.043   3.576
  141   1HB   TYR  21          HB1       TYR  21   5.881  -2.803   1.809
  142   2HB   TYR  21          HB2       TYR  21   7.316  -3.244   0.943
  143    HD1  TYR  21           HD1      TYR  21   8.501  -5.191   1.789
  144    HD2  TYR  21           HD2      TYR  21   5.188  -3.544   4.011
  145    HE1  TYR  21           HE1      TYR  21   8.374  -7.235   3.227
  146    HE2  TYR  21           HE2      TYR  21   5.053  -5.609   5.293
  147    HH   TYR  21           HH       TYR  21   6.986  -8.469   4.684
  148    H    SER  22           H        SER  22   7.857  -0.752   0.160
  149    HA   SER  22           HA       SER  22  10.298  -1.677  -0.522
  150   1HB   SER  22          HB1       SER  22   8.718   0.886  -1.216
  151   2HB   SER  22          HB2       SER  22  10.358   0.653  -1.917
  152    HG   SER  22           HG       SER  22   8.745  -0.345  -3.178
  153    H    ALA  23           H        ALA  23   9.483   1.357   1.075
  154    HA   ALA  23           HA       ALA  23  12.224   2.337   1.198
  155   1HB   ALA  23          HB1       ALA  23  10.189   3.452   3.063
  156   2HB   ALA  23          HB2       ALA  23  11.339   4.252   1.967
  157   3HB   ALA  23          HB3       ALA  23   9.834   3.569   1.331
  158    H    LEU  24           H        LEU  24  10.018   0.356   3.426
  159    HA   LEU  24           HA       LEU  24  11.642   0.573   5.590
  160   1HB   LEU  24          HB1       LEU  24   9.179   0.179   5.512
  161   2HB   LEU  24          HB2       LEU  24   9.474  -1.444   4.755
  162    HG   LEU  24           HG       LEU  24  10.684  -1.892   6.424
  163   1HD1  LEU  24          HD1       LEU  24  11.674  -0.159   7.720
  164   2HD1  LEU  24          HD1       LEU  24  10.225   0.807   7.568
  165   3HD1  LEU  24          HD1       LEU  24  10.321  -0.438   8.824
  166   1HD2  LEU  24          HD2       LEU  24   8.412  -1.508   8.300
  167   2HD2  LEU  24          HD2       LEU  24   7.846  -1.538   6.623
  168   3HD2  LEU  24          HD2       LEU  24   8.775  -2.856   7.310
  169    H    ARG  25           H        ARG  25  11.552  -1.351   2.625
  170    HA   ARG  25           HA       ARG  25  13.145  -3.526   3.646
  171   1HB   ARG  25          HB1       ARG  25  11.925  -4.044   1.746
  172   2HB   ARG  25          HB2       ARG  25  12.245  -2.560   0.889
  173   1HG   ARG  25          HG1       ARG  25  14.392  -3.011   0.214
  174   2HG   ARG  25          HG2       ARG  25  14.665  -4.247   1.468
  175   1HD   ARG  25          HD1       ARG  25  12.586  -5.320   0.075
  176   2HD   ARG  25          HD2       ARG  25  13.510  -4.563  -1.209
  177    HE   ARG  25           HE       ARG  25  15.197  -6.143  -0.893
  178   1HH1  ARG  25          HH1       ARG  25  15.578  -8.617   1.596
  179   2HH1  ARG  25          HH1       ARG  25  16.241  -7.976   0.169
  180   1HH2  ARG  25          HH2       ARG  25  13.620  -7.590   2.610
  181   2HH2  ARG  25          HH2       ARG  25  12.972  -6.185   1.860
  182    H    HIS  26           H        HIS  26  13.769  -0.535   1.725
  183    HA   HIS  26           HA       HIS  26  16.535  -0.992   1.323
  184   1HB   HIS  26          HB1       HIS  26  15.102   0.851   0.366
  185   2HB   HIS  26          HB2       HIS  26  15.227   1.719   1.939
  186    HD1  HIS  26           HD1      HIS  26  18.005  -0.075  -0.186
  187    HD2  HIS  26           HD2      HIS  26  16.914   3.612   1.546
  188    HE1  HIS  26           HE1      HIS  26  19.962   1.595  -0.480
  189    H    TYR  27           H        TYR  27  14.863   0.673   3.981
  190    HA   TYR  27           HA       TYR  27  17.186   1.224   5.572
  191   1HB   TYR  27          HB1       TYR  27  14.282   1.118   5.947
  192   2HB   TYR  27          HB2       TYR  27  15.178   0.806   7.434
  193    HD1  TYR  27           HD1      TYR  27  13.876   3.354   5.400
  194    HD2  TYR  27           HD2      TYR  27  17.275   2.394   7.903
  195    HE1  TYR  27           HE1      TYR  27  14.350   5.724   5.702
  196    HE2  TYR  27           HE2      TYR  27  17.515   4.791   8.487
  197    HH   TYR  27           HH       TYR  27  15.467   7.407   7.077
  198    H    ILE  28           H        ILE  28  14.647  -1.295   6.200
  199    HA   ILE  28           HA       ILE  28  16.275  -2.704   8.124
  200    HB   ILE  28           HB       ILE  28  14.252  -3.720   6.190
  201   1HG1  ILE  28          1HG1      ILE  28  14.049  -2.652   9.069
  202   2HG1  ILE  28          2HG1      ILE  28  13.386  -1.893   7.653
  203   1HG2  ILE  28          1HG2      ILE  28  15.800  -5.128   8.337
  204   2HG2  ILE  28          2HG2      ILE  28  14.111  -5.398   8.466
  205   3HG2  ILE  28          3HG2      ILE  28  14.882  -5.765   6.935
  206   1HD1  ILE  28          1HD1      ILE  28  12.400  -4.266   9.067
  207   2HD1  ILE  28          2HD1      ILE  28  11.485  -2.942   8.427
  208   3HD1  ILE  28          3HD1      ILE  28  12.103  -4.208   7.322
  209    H    ASN  29           H        ASN  29  16.671  -2.562   4.650
  210    HA   ASN  29           HA       ASN  29  18.323  -4.979   4.396
  211   1HB   ASN  29          HB1       ASN  29  17.157  -4.293   2.483
  212   2HB   ASN  29          HB2       ASN  29  17.731  -2.613   2.599
  213   1HD2  ASN  29          HD2       ASN  29  18.973  -5.867   2.225
  214   2HD2  ASN  29          HD2       ASN  29  20.298  -5.405   1.215
  215    H    LEU  30           H        LEU  30  18.827  -1.488   4.408
  216    HA   LEU  30           HA       LEU  30  21.671  -1.690   4.230
  217   1HB   LEU  30          HB1       LEU  30  21.837   0.580   4.085
  218   2HB   LEU  30          HB2       LEU  30  20.267   0.217   3.373
  219    HG   LEU  30           HG       LEU  30  19.282   0.773   5.669
  220   1HD1  LEU  30          HD1       LEU  30  22.065   1.041   6.420
  221   2HD1  LEU  30          HD1       LEU  30  21.357   2.631   6.519
  222   3HD1  LEU  30          HD1       LEU  30  20.603   1.349   7.410
  223   1HD2  LEU  30          HD2       LEU  30  19.333   3.201   5.278
  224   2HD2  LEU  30          HD2       LEU  30  20.669   2.959   4.121
  225   3HD2  LEU  30          HD2       LEU  30  19.059   2.282   3.789
  226    H    ILE  31           H        ILE  31  19.523  -0.668   6.801
  227    HA   ILE  31           HA       ILE  31  21.084  -0.423   8.805
  228    HB   ILE  31           HB       ILE  31  18.401  -0.499   8.605
  229   1HG1  ILE  31          1HG1      ILE  31  20.072   0.753  10.272
  230   2HG1  ILE  31          2HG1      ILE  31  18.374   0.701  10.444
  231   1HG2  ILE  31          1HG2      ILE  31  17.488  -2.115  10.234
  232   2HG2  ILE  31          2HG2      ILE  31  18.299  -2.880   8.871
  233   3HG2  ILE  31          3HG2      ILE  31  19.110  -2.823  10.448
  234   1HD1  ILE  31          1HD1      ILE  31  19.547   0.122  12.559
  235   2HD1  ILE  31          2HD1      ILE  31  18.584  -1.236  12.079
  236   3HD1  ILE  31          3HD1      ILE  31  20.347  -1.241  11.743
  237    H    THR  32           H        THR  32  19.969  -3.438   7.596
  238    HA   THR  32           HA       THR  32  21.245  -5.077   9.584
  239    HB   THR  32           HB       THR  32  20.739  -6.860   7.912
  240    HG1  THR  32           HG1      THR  32  19.233  -5.948   6.283
  241   1HG2  THR  32          1HG2      THR  32  18.184  -6.473   8.115
  242   2HG2  THR  32          2HG2      THR  32  19.117  -6.528   9.646
  243   3HG2  THR  32          3HG2      THR  32  18.602  -4.998   9.032
  244    H    ARG  33           H        ARG  33  22.007  -3.920   6.261
  245    HA   ARG  33           HA       ARG  33  24.069  -5.356   5.563
  246   1HB   ARG  33          HB1       ARG  33  23.191  -2.899   4.817
  247   2HB   ARG  33          HB2       ARG  33  24.851  -2.504   5.295
  248   1HG   ARG  33          HG1       ARG  33  25.452  -4.491   3.746
  249   2HG   ARG  33          HG2       ARG  33  23.736  -4.411   3.262
  250   1HD   ARG  33          HD1       ARG  33  24.034  -2.148   2.437
  251   2HD   ARG  33          HD2       ARG  33  25.642  -2.019   3.119
  252    HE   ARG  33           HE       ARG  33  24.745  -3.407   0.707
  253   1HH1  ARG  33          HH1       ARG  33  28.021  -4.580  -0.060
  254   2HH1  ARG  33          HH1       ARG  33  26.462  -4.367  -0.631
  255   1HH2  ARG  33          HH2       ARG  33  28.593  -3.799   2.167
  256   2HH2  ARG  33          HH2       ARG  33  27.351  -3.101   3.134
  257    H    GLN  34           H        GLN  34  24.245  -2.566   7.824
  258    HA   GLN  34           HA       GLN  34  27.035  -2.999   8.531
  259   1HB   GLN  34          HB1       GLN  34  26.178  -0.733   8.503
  260   2HB   GLN  34          HB2       GLN  34  24.921  -1.169   9.683
  261   1HG   GLN  34          HG1       GLN  34  26.681  -0.104  10.942
  262   2HG   GLN  34          HG2       GLN  34  26.781  -1.816  11.330
  263   1HE2  GLN  34          1HE2      GLN  34  28.990  -1.992  11.838
  264   2HE2  GLN  34          2HE2      GLN  34  30.249  -1.602  10.644
  265    H    ARG  35           H        ARG  35  23.871  -3.189  10.274
  266    HA   ARG  35           HA       ARG  35  24.964  -4.293  12.685
  267   1HB   ARG  35          HB1       ARG  35  22.295  -4.320  11.325
  268   2HB   ARG  35          HB2       ARG  35  22.520  -5.528  12.578
  269   1HG   ARG  35          HG1       ARG  35  23.248  -3.757  14.123
  270   2HG   ARG  35          HG2       ARG  35  22.901  -2.522  12.874
  271   1HD   ARG  35          HD1       ARG  35  20.734  -2.500  13.681
  272   2HD   ARG  35          HD2       ARG  35  20.533  -4.052  12.929
  273    HE   ARG  35           HE       ARG  35  20.644  -5.125  14.953
  274   1HH1  ARG  35          HH1       ARG  35  21.205  -3.807  18.224
  275   2HH1  ARG  35          HH1       ARG  35  20.792  -5.190  17.358
  276   1HH2  ARG  35          HH2       ARG  35  21.639  -1.759  17.047
  277   2HH2  ARG  35          HH2       ARG  35  21.621  -1.757  15.309
  278    H    TYR  36           H        TYR  36  23.269  -6.250  10.257
  279    HA   TYR  36           HA       TYR  36  24.441  -8.729  11.212
  280   1HB   TYR  36          HB1       TYR  36  22.377  -7.802   9.217
  281   2HB   TYR  36          HB2       TYR  36  23.169  -9.281   8.894
  282    HD1  TYR  36           HD1      TYR  36  23.236 -11.115  10.687
  283    HD2  TYR  36           HD2      TYR  36  20.562  -7.719  10.763
  284    HE1  TYR  36           HE1      TYR  36  21.623 -12.373  12.008
  285    HE2  TYR  36           HE2      TYR  36  19.000  -8.979  12.218
  286    HH   TYR  36           HH       TYR  36  19.323 -12.392  12.828
  287   1HN   NH2  37          HN1       NH2 237  24.451  -6.888   8.119
  288   2HN   NH2  37          HN2       NH2 237  26.022  -7.493   7.588
  Start of MODEL   13
    1   1H    TYR   1          HN1       TYR   1  -1.013   9.641  -7.667
    2   2H    TYR   1          HN2       TYR   1   0.611   9.602  -7.431
    3   3H    TYR   1          HN3       TYR   1  -0.165   8.489  -8.350
    4    HA   TYR   1           HA       TYR   1  -1.374   7.512  -6.644
    5   1HB   TYR   1          HB1       TYR   1   1.567   7.641  -6.405
    6   2HB   TYR   1          HB2       TYR   1   0.788   7.456  -4.840
    7    HD1  TYR   1           HD1      TYR   1   0.169   6.145  -8.331
    8    HD2  TYR   1           HD2      TYR   1   0.527   5.257  -4.118
    9    HE1  TYR   1           HE1      TYR   1  -0.015   3.734  -8.819
   10    HE2  TYR   1           HE2      TYR   1   0.346   2.854  -4.627
   11    HH   TYR   1           HH       TYR   1  -0.644   1.475  -7.488
   12    HA   PRO   2           HA       PRO   2  -1.276   9.932  -2.734
   13   1HB   PRO   2          HB1       PRO   2   0.081  12.350  -2.453
   14   2HB   PRO   2          HB2       PRO   2   0.672  10.768  -1.905
   15   1HG   PRO   2          HG1       PRO   2   1.577  12.399  -4.186
   16   2HG   PRO   2          HG2       PRO   2   2.363  11.029  -3.400
   17   1HD   PRO   2          HD1       PRO   2   0.867  11.011  -5.935
   18   2HD   PRO   2          HD2       PRO   2   1.659   9.647  -5.118
   19    H    SER   3           H        SER   3  -3.431  10.649  -3.001
   20    HA   SER   3           HA       SER   3  -3.924  13.428  -3.612
   21   1HB   SER   3          HB1       SER   3  -4.671  11.326  -5.626
   22   2HB   SER   3          HB2       SER   3  -5.676  12.746  -5.408
   23    HG   SER   3           HG       SER   3  -2.884  12.752  -6.012
   24    H    LYS   4           H        LYS   4  -4.478  13.009  -1.285
   25    HA   LYS   4           HA       LYS   4  -6.562  11.201  -0.634
   26   1HB   LYS   4          HB1       LYS   4  -6.562  12.218   1.513
   27   2HB   LYS   4          HB2       LYS   4  -4.933  11.962   0.929
   28   1HG   LYS   4          HG1       LYS   4  -5.744  14.712   0.263
   29   2HG   LYS   4          HG2       LYS   4  -6.205  14.326   1.903
   30   1HD   LYS   4          HD1       LYS   4  -4.140  15.028   2.403
   31   2HD   LYS   4          HD2       LYS   4  -3.790  13.335   2.158
   32   1HE   LYS   4          HE1       LYS   4  -3.715  14.799  -0.420
   33   2HE   LYS   4          HE2       LYS   4  -2.730  15.652   0.773
   34   1HZ   LYS   4          HZ1       LYS   4  -2.427  12.734   0.364
   35   2HZ   LYS   4          HZ2       LYS   4  -1.593  13.828  -0.522
   36   3HZ   LYS   4          HZ3       LYS   4  -1.371  13.771   1.025
   37    HA   PRO   5           HA       PRO   5 -10.040  13.755  -1.859
   38   1HB   PRO   5          HB1       PRO   5 -12.084  12.913  -0.198
   39   2HB   PRO   5          HB2       PRO   5 -11.412  11.981  -1.545
   40   1HG   PRO   5          HG1       PRO   5 -10.986  11.559   1.381
   41   2HG   PRO   5          HG2       PRO   5 -10.885  10.399   0.035
   42   1HD   PRO   5          HD1       PRO   5  -8.739  11.751   1.341
   43   2HD   PRO   5          HD2       PRO   5  -8.642  10.660  -0.076
   44    H    ASP   6           H        ASP   6  -8.395  15.442  -0.718
   45    HA   ASP   6           HA       ASP   6  -8.381  17.563   0.362
   46   1HB   ASP   6          HB1       ASP   6 -10.941  17.400  -0.073
   47   2HB   ASP   6          HB2       ASP   6 -11.088  17.004   1.622
   48    H    ASN   7           H        ASN   7 -10.218  15.487   2.504
   49    HA   ASN   7           HA       ASN   7  -8.784  16.079   4.815
   50   1HB   ASN   7          HB1       ASN   7 -11.055  14.409   4.143
   51   2HB   ASN   7          HB2       ASN   7  -9.975  13.429   5.106
   52   1HD2  ASN   7          HD2       ASN   7 -10.548  13.592   7.378
   53   2HD2  ASN   7          HD2       ASN   7 -11.161  15.105   8.026
   54    HA   PRO   8           HA       PRO   8  -5.279  13.285   4.251
   55   1HB   PRO   8          HB1       PRO   8  -4.069  13.609   6.702
   56   2HB   PRO   8          HB2       PRO   8  -3.852  14.689   5.320
   57   1HG   PRO   8          HG1       PRO   8  -5.488  15.083   7.796
   58   2HG   PRO   8          HG2       PRO   8  -4.754  16.321   6.749
   59   1HD   PRO   8          HD1       PRO   8  -7.484  15.424   6.791
   60   2HD   PRO   8          HD2       PRO   8  -6.753  16.521   5.576
   61    H    GLY   9           H        GLY   9  -8.022  12.731   6.125
   62   1HA   GLY   9          HA1       GLY   9  -7.081  10.373   7.636
   63   2HA   GLY   9          HA2       GLY   9  -8.681  11.079   7.632
   64    H    GLU  10           H        GLU  10  -6.784   8.617   6.245
   65    HA   GLU  10           HA       GLU  10  -8.907   7.808   4.379
   66   1HB   GLU  10          HB1       GLU  10  -7.355   7.216   2.675
   67   2HB   GLU  10          HB2       GLU  10  -6.959   8.836   3.106
   68   1HG   GLU  10          HG1       GLU  10  -4.828   8.240   3.476
   69   2HG   GLU  10          HG2       GLU  10  -5.336   7.243   4.851
   70    H    ASP  11           H        ASP  11  -7.708   5.410   3.788
   71    HA   ASP  11           HA       ASP  11  -6.767   3.759   5.799
   72   1HB   ASP  11          HB1       ASP  11  -9.481   4.379   6.394
   73   2HB   ASP  11          HB2       ASP  11  -9.410   2.709   5.884
   74    H    ALA  12           H        ALA  12  -5.793   2.797   4.025
   75    HA   ALA  12           HA       ALA  12  -7.405   1.506   1.887
   76   1HB   ALA  12          HB1       ALA  12  -4.543   1.580   1.355
   77   2HB   ALA  12          HB2       ALA  12  -5.857   2.060   0.313
   78   3HB   ALA  12          HB3       ALA  12  -5.214   3.213   1.488
   79    HA   PRO  13           HA       PRO  13  -6.028  -2.406   3.203
   80   1HB   PRO  13          HB1       PRO  13  -5.427  -3.780   0.872
   81   2HB   PRO  13          HB2       PRO  13  -7.054  -3.401   1.479
   82   1HG   PRO  13          HG1       PRO  13  -5.504  -2.084  -0.746
   83   2HG   PRO  13          HG2       PRO  13  -7.272  -2.291  -0.559
   84   1HD   PRO  13          HD1       PRO  13  -5.654  -0.044   0.005
   85   2HD   PRO  13          HD2       PRO  13  -7.380  -0.218   0.410
   86    H    ALA  14           H        ALA  14  -4.221  -4.077   2.534
   87    HA   ALA  14           HA       ALA  14  -1.669  -3.126   3.318
   88   1HB   ALA  14          HB1       ALA  14  -2.249  -5.513   3.568
   89   2HB   ALA  14          HB2       ALA  14  -2.428  -5.643   1.806
   90   3HB   ALA  14          HB3       ALA  14  -0.828  -5.352   2.517
   91    H    GLU  15           H        GLU  15  -3.062  -2.994   0.147
   92    HA   GLU  15           HA       GLU  15  -0.874  -2.916  -1.436
   93   1HB   GLU  15          HB1       GLU  15  -3.364  -2.606  -2.017
   94   2HB   GLU  15          HB2       GLU  15  -3.126  -0.897  -1.617
   95   1HG   GLU  15          HG1       GLU  15  -0.935  -1.417  -3.191
   96   2HG   GLU  15          HG2       GLU  15  -2.042  -2.615  -3.834
   97    H    ASP  16           H        ASP  16  -2.163  -0.362   0.703
   98    HA   ASP  16           HA       ASP  16  -0.225   1.624  -0.057
   99   1HB   ASP  16          HB1       ASP  16  -2.466   1.965   1.098
  100   2HB   ASP  16          HB2       ASP  16  -1.666   1.521   2.571
  101    H    LEU  17           H        LEU  17  -0.336  -0.754   2.596
  102    HA   LEU  17           HA       LEU  17   2.022   0.039   3.937
  103   1HB   LEU  17          HB1       LEU  17   1.070  -1.422   5.316
  104   2HB   LEU  17          HB2       LEU  17   0.002  -1.989   4.074
  105    HG   LEU  17           HG       LEU  17   1.658  -3.629   3.315
  106   1HD1  LEU  17          HD1       LEU  17   3.400  -2.118   5.164
  107   2HD1  LEU  17          HD1       LEU  17   3.445  -3.873   5.433
  108   3HD1  LEU  17          HD1       LEU  17   3.868  -3.195   3.866
  109   1HD2  LEU  17          HD2       LEU  17   0.501  -3.482   6.069
  110   2HD2  LEU  17          HD2       LEU  17   0.133  -4.607   4.759
  111   3HD2  LEU  17          HD2       LEU  17   1.558  -4.855   5.771
  112    H    ALA  18           H        ALA  18   1.411  -2.059   1.170
  113    HA   ALA  18           HA       ALA  18   4.007  -3.220   0.821
  114   1HB   ALA  18          HB1       ALA  18   1.688  -2.802  -1.049
  115   2HB   ALA  18          HB2       ALA  18   3.285  -3.093  -1.704
  116   3HB   ALA  18          HB3       ALA  18   2.550  -4.283  -0.638
  117    H    ARG  19           H        ARG  19   2.648  -0.093  -0.073
  118    HA   ARG  19           HA       ARG  19   4.825   0.697  -1.678
  119   1HB   ARG  19          HB1       ARG  19   2.372   1.755  -1.337
  120   2HB   ARG  19          HB2       ARG  19   3.170   2.679  -0.081
  121   1HG   ARG  19          HG1       ARG  19   4.902   2.673  -2.365
  122   2HG   ARG  19          HG2       ARG  19   3.263   2.944  -2.956
  123   1HD   ARG  19          HD1       ARG  19   4.280   5.046  -2.539
  124   2HD   ARG  19          HD2       ARG  19   3.055   4.818  -1.279
  125    HE   ARG  19           HE       ARG  19   5.388   3.848  -0.119
  126   1HH1  ARG  19          HH1       ARG  19   6.863   6.865   0.966
  127   2HH1  ARG  19          HH1       ARG  19   6.616   5.213   1.402
  128   1HH2  ARG  19          HH2       ARG  19   5.478   7.887  -0.565
  129   2HH2  ARG  19          HH2       ARG  19   4.279   6.925  -1.383
  130    H    TYR  20           H        TYR  20   3.991   1.461   1.707
  131    HA   TYR  20           HA       TYR  20   6.448   2.775   2.421
  132   1HB   TYR  20          HB1       TYR  20   4.692   3.150   3.828
  133   2HB   TYR  20          HB2       TYR  20   4.126   1.506   3.864
  134    HD1  TYR  20           HD1      TYR  20   4.535   0.204   5.751
  135    HD2  TYR  20           HD2      TYR  20   7.114   3.557   4.946
  136    HE1  TYR  20           HE1      TYR  20   5.608  -0.105   7.937
  137    HE2  TYR  20           HE2      TYR  20   8.252   3.135   7.109
  138    HH   TYR  20           HH       TYR  20   7.086   2.011   9.659
  139    H    TYR  21           H        TYR  21   5.645  -0.538   2.025
  140    HA   TYR  21           HA       TYR  21   7.585  -1.738   3.626
  141   1HB   TYR  21          HB1       TYR  21   5.569  -2.655   2.085
  142   2HB   TYR  21          HB2       TYR  21   6.898  -3.195   1.066
  143    HD1  TYR  21           HD1      TYR  21   8.760  -3.843   3.653
  144    HD2  TYR  21           HD2      TYR  21   4.727  -4.765   2.477
  145    HE1  TYR  21           HE1      TYR  21   8.690  -5.671   5.285
  146    HE2  TYR  21           HE2      TYR  21   4.705  -6.686   3.994
  147    HH   TYR  21           HH       TYR  21   7.304  -7.007   6.501
  148    H    SER  22           H        SER  22   7.772  -0.776   0.101
  149    HA   SER  22           HA       SER  22  10.258  -1.761  -0.368
  150   1HB   SER  22          HB1       SER  22   8.612   0.409  -1.553
  151   2HB   SER  22          HB2       SER  22  10.325   0.431  -1.979
  152    HG   SER  22           HG       SER  22   8.406  -1.670  -2.222
  153    H    ALA  23           H        ALA  23   9.446   1.392   1.036
  154    HA   ALA  23           HA       ALA  23  12.265   2.296   1.308
  155   1HB   ALA  23          HB1       ALA  23   9.713   3.112   2.726
  156   2HB   ALA  23          HB2       ALA  23  11.336   3.774   3.129
  157   3HB   ALA  23          HB3       ALA  23  10.648   4.029   1.517
  158    H    LEU  24           H        LEU  24   9.933   0.669   3.494
  159    HA   LEU  24           HA       LEU  24  11.834   0.422   5.599
  160   1HB   LEU  24          HB1       LEU  24   9.471  -1.265   4.765
  161   2HB   LEU  24          HB2       LEU  24  10.641  -1.902   5.926
  162    HG   LEU  24           HG       LEU  24   8.736   0.402   6.209
  163   1HD1  LEU  24          HD1       LEU  24   9.019  -1.093   8.609
  164   2HD1  LEU  24          HD1       LEU  24   7.729  -1.231   7.414
  165   3HD1  LEU  24          HD1       LEU  24   9.137  -2.293   7.338
  166   1HD2  LEU  24          HD2       LEU  24  10.656   1.570   6.922
  167   2HD2  LEU  24          HD2       LEU  24   9.859   0.999   8.376
  168   3HD2  LEU  24          HD2       LEU  24  11.321   0.168   7.800
  169    H    ARG  25           H        ARG  25  11.419  -1.584   2.672
  170    HA   ARG  25           HA       ARG  25  13.238  -3.545   3.575
  171   1HB   ARG  25          HB1       ARG  25  12.057  -4.187   1.651
  172   2HB   ARG  25          HB2       ARG  25  12.269  -2.657   0.820
  173   1HG   ARG  25          HG1       ARG  25  14.481  -3.029   0.229
  174   2HG   ARG  25          HG2       ARG  25  14.744  -4.297   1.418
  175   1HD   ARG  25          HD1       ARG  25  14.003  -5.921   0.017
  176   2HD   ARG  25          HD2       ARG  25  12.638  -4.938  -0.535
  177    HE   ARG  25           HE       ARG  25  13.793  -4.229  -2.321
  178   1HH1  ARG  25          HH1       ARG  25  17.036  -4.973  -3.404
  179   2HH1  ARG  25          HH1       ARG  25  15.541  -4.199  -3.799
  180   1HH2  ARG  25          HH2       ARG  25  17.353  -5.864  -1.284
  181   2HH2  ARG  25          HH2       ARG  25  16.156  -5.700  -0.084
  182    H    HIS  26           H        HIS  26  13.729  -0.535   1.613
  183    HA   HIS  26           HA       HIS  26  16.472  -0.934   1.264
  184   1HB   HIS  26          HB1       HIS  26  15.027   0.883   0.269
  185   2HB   HIS  26          HB2       HIS  26  15.216   1.782   1.758
  186    HD1  HIS  26           HD1      HIS  26  17.933  -0.073  -0.348
  187    HD2  HIS  26           HD2      HIS  26  16.917   3.692   1.239
  188    HE1  HIS  26           HE1      HIS  26  19.808   1.515  -0.999
  189    H    TYR  27           H        TYR  27  14.790   0.700   3.926
  190    HA   TYR  27           HA       TYR  27  17.097   1.285   5.529
  191   1HB   TYR  27          HB1       TYR  27  14.159   1.179   5.951
  192   2HB   TYR  27          HB2       TYR  27  15.168   0.882   7.380
  193    HD1  TYR  27           HD1      TYR  27  13.764   3.481   5.411
  194    HD2  TYR  27           HD2      TYR  27  17.134   2.388   7.861
  195    HE1  TYR  27           HE1      TYR  27  14.311   5.869   5.718
  196    HE2  TYR  27           HE2      TYR  27  17.497   4.737   8.420
  197    HH   TYR  27           HH       TYR  27  16.603   6.868   8.268
  198    H    ILE  28           H        ILE  28  14.724  -1.237   6.230
  199    HA   ILE  28           HA       ILE  28  16.176  -2.609   8.044
  200    HB   ILE  28           HB       ILE  28  14.187  -3.785   6.134
  201   1HG1  ILE  28          1HG1      ILE  28  13.981  -2.756   9.008
  202   2HG1  ILE  28          2HG1      ILE  28  13.307  -1.939   7.591
  203   1HG2  ILE  28          1HG2      ILE  28  15.053  -4.886   8.833
  204   2HG2  ILE  28          2HG2      ILE  28  13.985  -5.654   7.657
  205   3HG2  ILE  28          3HG2      ILE  28  15.708  -5.506   7.315
  206   1HD1  ILE  28          1HD1      ILE  28  11.493  -3.071   8.600
  207   2HD1  ILE  28          2HD1      ILE  28  11.984  -4.094   7.212
  208   3HD1  ILE  28          3HD1      ILE  28  12.420  -4.546   8.871
  209    H    ASN  29           H        ASN  29  16.654  -2.744   4.569
  210    HA   ASN  29           HA       ASN  29  18.461  -4.993   4.348
  211   1HB   ASN  29          HB1       ASN  29  17.280  -4.174   2.421
  212   2HB   ASN  29          HB2       ASN  29  17.886  -2.558   2.654
  213   1HD2  ASN  29          HD2       ASN  29  19.269  -5.897   2.025
  214   2HD2  ASN  29          HD2       ASN  29  20.486  -5.284   0.959
  215    H    LEU  30           H        LEU  30  18.975  -1.484   4.487
  216    HA   LEU  30           HA       LEU  30  21.879  -1.802   4.447
  217   1HB   LEU  30          HB1       LEU  30  22.065   0.603   4.649
  218   2HB   LEU  30          HB2       LEU  30  20.885   0.107   3.421
  219    HG   LEU  30           HG       LEU  30  19.108   0.597   5.086
  220   1HD1  LEU  30          HD1       LEU  30  20.305   2.768   6.486
  221   2HD1  LEU  30          HD1       LEU  30  19.501   1.346   7.137
  222   3HD1  LEU  30          HD1       LEU  30  21.256   1.337   6.900
  223   1HD2  LEU  30          HD2       LEU  30  19.041   2.938   4.492
  224   2HD2  LEU  30          HD2       LEU  30  20.739   2.879   3.985
  225   3HD2  LEU  30          HD2       LEU  30  19.522   1.922   3.127
  226    H    ILE  31           H        ILE  31  19.526  -0.911   6.869
  227    HA   ILE  31           HA       ILE  31  21.129  -0.450   9.056
  228    HB   ILE  31           HB       ILE  31  18.442  -0.512   8.565
  229   1HG1  ILE  31          1HG1      ILE  31  19.837   0.651  10.379
  230   2HG1  ILE  31          2HG1      ILE  31  18.073   0.573  10.331
  231   1HG2  ILE  31          1HG2      ILE  31  17.266  -2.097  10.025
  232   2HG2  ILE  31          2HG2      ILE  31  18.218  -2.916   8.828
  233   3HG2  ILE  31          3HG2      ILE  31  18.780  -2.913  10.471
  234   1HD1  ILE  31          1HD1      ILE  31  18.056  -1.143  12.053
  235   2HD1  ILE  31          2HD1      ILE  31  19.798  -1.383  11.855
  236   3HD1  ILE  31          3HD1      ILE  31  19.200   0.119  12.579
  237    H    THR  32           H        THR  32  19.869  -3.529   7.740
  238    HA   THR  32           HA       THR  32  21.099  -5.207   9.730
  239    HB   THR  32           HB       THR  32  20.423  -7.010   8.269
  240    HG1  THR  32           HG1      THR  32  20.639  -6.019   6.233
  241   1HG2  THR  32          1HG2      THR  32  18.443  -5.094   9.315
  242   2HG2  THR  32          2HG2      THR  32  17.924  -6.480   8.370
  243   3HG2  THR  32          3HG2      THR  32  18.942  -6.696   9.792
  244    H    ARG  33           H        ARG  33  21.850  -4.313   6.305
  245    HA   ARG  33           HA       ARG  33  24.032  -5.845   5.773
  246   1HB   ARG  33          HB1       ARG  33  22.821  -3.694   4.596
  247   2HB   ARG  33          HB2       ARG  33  24.494  -3.067   4.881
  248   1HG   ARG  33          HG1       ARG  33  25.325  -5.152   3.668
  249   2HG   ARG  33          HG2       ARG  33  23.631  -5.648   3.512
  250   1HD   ARG  33          HD1       ARG  33  23.273  -3.260   2.431
  251   2HD   ARG  33          HD2       ARG  33  25.023  -3.331   2.242
  252    HE   ARG  33           HE       ARG  33  24.264  -5.722   1.206
  253   1HH1  ARG  33          HH1       ARG  33  23.861  -4.766  -2.115
  254   2HH1  ARG  33          HH1       ARG  33  23.710  -6.081  -1.007
  255   1HH2  ARG  33          HH2       ARG  33  24.096  -2.444  -1.170
  256   2HH2  ARG  33          HH2       ARG  33  24.110  -2.337   0.561
  257    H    GLN  34           H        GLN  34  24.166  -2.702   7.411
  258    HA   GLN  34           HA       GLN  34  26.866  -2.987   8.332
  259   1HB   GLN  34          HB1       GLN  34  25.803  -0.804   8.010
  260   2HB   GLN  34          HB2       GLN  34  24.607  -1.203   9.238
  261   1HG   GLN  34          HG1       GLN  34  26.201   0.270  10.249
  262   2HG   GLN  34          HG2       GLN  34  26.497  -1.313  10.953
  263   1HE2  GLN  34          1HE2      GLN  34  27.713   1.150   8.707
  264   2HE2  GLN  34          2HE2      GLN  34  29.301   0.524   8.539
  265    H    ARG  35           H        ARG  35  23.704  -3.718   9.908
  266    HA   ARG  35           HA       ARG  35  25.047  -4.476  12.461
  267   1HB   ARG  35          HB1       ARG  35  22.106  -4.239  11.772
  268   2HB   ARG  35          HB2       ARG  35  22.737  -4.884  13.290
  269   1HG   ARG  35          HG1       ARG  35  23.742  -2.911  13.929
  270   2HG   ARG  35          HG2       ARG  35  23.639  -2.211  12.305
  271   1HD   ARG  35          HD1       ARG  35  21.628  -1.259  12.866
  272   2HD   ARG  35          HD2       ARG  35  20.958  -2.857  13.107
  273    HE   ARG  35           HE       ARG  35  20.989  -2.532  15.333
  274   1HH1  ARG  35          HH1       ARG  35  22.387  -0.145  17.457
  275   2HH1  ARG  35          HH1       ARG  35  21.639  -1.677  17.368
  276   1HH2  ARG  35          HH2       ARG  35  23.684   0.509  15.476
  277   2HH2  ARG  35          HH2       ARG  35  23.237  -0.156  13.930
  278    H    TYR  36           H        TYR  36  22.332  -6.135  11.014
  279    HA   TYR  36           HA       TYR  36  21.815  -8.296  11.492
  280   1HB   TYR  36          HB1       TYR  36  21.987  -7.480   9.337
  281   2HB   TYR  36          HB2       TYR  36  23.435  -8.297   8.919
  282    HD1  TYR  36           HD1      TYR  36  21.410 -10.482  10.955
  283    HD2  TYR  36           HD2      TYR  36  21.601  -8.672   7.050
  284    HE1  TYR  36           HE1      TYR  36  19.713 -12.067  10.113
  285    HE2  TYR  36           HE2      TYR  36  19.759 -10.103   6.290
  286    HH   TYR  36           HH       TYR  36  17.824 -11.730   7.934
  287   1HN   NH2  37          HN1       NH2 237  23.028  -8.990  13.560
  288   2HN   NH2  37          HN2       NH2 237  24.451  -9.945  13.313
  Start of MODEL   14
    1   1H    TYR   1          HN1       TYR   1   2.052  -3.540 -23.113
    2   2H    TYR   1          HN2       TYR   1   0.956  -4.750 -22.787
    3   3H    TYR   1          HN3       TYR   1   1.902  -4.784 -24.140
    4    HA   TYR   1           HA       TYR   1   1.084  -3.027 -25.205
    5   1HB   TYR   1          HB1       TYR   1  -0.860  -5.085 -24.315
    6   2HB   TYR   1          HB2       TYR   1  -1.647  -3.595 -24.669
    7    HD1  TYR   1           HD1      TYR   1  -0.791  -6.505 -26.141
    8    HD2  TYR   1           HD2      TYR   1  -0.618  -2.321 -26.856
    9    HE1  TYR   1           HE1      TYR   1  -0.747  -6.975 -28.606
   10    HE2  TYR   1           HE2      TYR   1  -0.478  -2.782 -29.343
   11    HH   TYR   1           HH       TYR   1   0.344  -4.995 -30.942
   12    HA   PRO   2           HA       PRO   2  -1.655  -0.318 -22.746
   13   1HB   PRO   2          HB1       PRO   2  -2.511  -0.734 -20.173
   14   2HB   PRO   2          HB2       PRO   2  -3.305  -1.318 -21.652
   15   1HG   PRO   2          HG1       PRO   2  -1.797  -2.930 -19.684
   16   2HG   PRO   2          HG2       PRO   2  -3.099  -3.400 -20.811
   17   1HD   PRO   2          HD1       PRO   2  -0.273  -3.756 -21.155
   18   2HD   PRO   2          HD2       PRO   2  -1.569  -4.086 -22.343
   19    H    SER   3           H        SER   3  -0.487  -1.246 -19.534
   20    HA   SER   3           HA       SER   3   2.036  -0.103 -19.459
   21   1HB   SER   3          HB1       SER   3  -0.068   1.955 -19.514
   22   2HB   SER   3          HB2       SER   3   0.755   1.971 -18.018
   23    HG   SER   3           HG       SER   3   2.477   1.802 -20.238
   24    H    LYS   4           H        LYS   4  -1.075   0.054 -17.646
   25    HA   LYS   4           HA       LYS   4  -1.578  -0.586 -15.531
   26   1HB   LYS   4          HB1       LYS   4   0.404  -2.737 -16.160
   27   2HB   LYS   4          HB2       LYS   4  -0.473  -2.721 -14.667
   28   1HG   LYS   4          HG1       LYS   4  -2.155  -2.483 -17.141
   29   2HG   LYS   4          HG2       LYS   4  -1.242  -3.969 -16.958
   30   1HD   LYS   4          HD1       LYS   4  -3.301  -4.471 -15.925
   31   2HD   LYS   4          HD2       LYS   4  -2.150  -4.253 -14.631
   32   1HE   LYS   4          HE1       LYS   4  -3.030  -1.891 -14.274
   33   2HE   LYS   4          HE2       LYS   4  -4.192  -2.212 -15.571
   34   1HZ   LYS   4          HZ1       LYS   4  -4.900  -4.117 -13.732
   35   2HZ   LYS   4          HZ2       LYS   4  -4.394  -2.864 -12.791
   36   3HZ   LYS   4          HZ3       LYS   4  -5.504  -2.591 -13.859
   37    HA   PRO   5           HA       PRO   5   2.134   1.590 -14.020
   38   1HB   PRO   5          HB1       PRO   5   1.043   4.060 -13.428
   39   2HB   PRO   5          HB2       PRO   5   1.636   3.620 -15.045
   40   1HG   PRO   5          HG1       PRO   5  -1.184   3.780 -14.113
   41   2HG   PRO   5          HG2       PRO   5  -0.540   4.049 -15.743
   42   1HD   PRO   5          HD1       PRO   5  -1.764   1.683 -14.730
   43   2HD   PRO   5          HD2       PRO   5  -0.964   1.876 -16.306
   44    H    ASP   6           H        ASP   6   2.314   2.836 -11.799
   45    HA   ASP   6           HA       ASP   6   1.350   1.028  -9.817
   46   1HB   ASP   6          HB1       ASP   6   3.122   3.440  -9.978
   47   2HB   ASP   6          HB2       ASP   6   2.298   3.065  -8.424
   48    H    ASN   7           H        ASN   7   0.741   4.462 -10.382
   49    HA   ASN   7           HA       ASN   7  -1.135   5.731 -10.183
   50   1HB   ASN   7          HB1       ASN   7  -2.247   3.153 -10.693
   51   2HB   ASN   7          HB2       ASN   7  -3.227   3.835  -9.397
   52   1HD2  ASN   7          HD2       ASN   7  -5.012   4.932 -10.165
   53   2HD2  ASN   7          HD2       ASN   7  -5.080   5.625 -11.762
   54    HA   PRO   8           HA       PRO   8  -0.512   5.652  -5.636
   55   1HB   PRO   8          HB1       PRO   8  -0.043   8.389  -5.323
   56   2HB   PRO   8          HB2       PRO   8   1.202   7.196  -5.733
   57   1HG   PRO   8          HG1       PRO   8  -0.068   9.183  -7.500
   58   2HG   PRO   8          HG2       PRO   8   1.543   8.432  -7.610
   59   1HD   PRO   8          HD1       PRO   8  -0.792   7.719  -9.083
   60   2HD   PRO   8          HD2       PRO   8   0.727   6.806  -9.031
   61    H    GLY   9           H        GLY   9  -1.683   7.079  -3.873
   62   1HA   GLY   9          HA1       GLY   9  -3.436   8.404  -3.162
   63   2HA   GLY   9          HA2       GLY   9  -4.178   8.378  -4.773
   64    H    GLU  10           H        GLU  10  -4.234   5.588  -5.206
   65    HA   GLU  10           HA       GLU  10  -6.280   4.652  -3.265
   66   1HB   GLU  10          HB1       GLU  10  -6.452   4.426  -5.806
   67   2HB   GLU  10          HB2       GLU  10  -5.227   3.157  -5.694
   68   1HG   GLU  10          HG1       GLU  10  -6.747   1.919  -4.140
   69   2HG   GLU  10          HG2       GLU  10  -7.938   3.263  -4.300
   70    H    ASP  11           H        ASP  11  -4.934   4.704  -1.511
   71    HA   ASP  11           HA       ASP  11  -2.509   3.451  -0.981
   72   1HB   ASP  11          HB1       ASP  11  -4.854   3.340   0.951
   73   2HB   ASP  11          HB2       ASP  11  -3.134   3.405   1.299
   74    H    ALA  12           H        ALA  12  -5.779   2.063  -0.633
   75    HA   ALA  12           HA       ALA  12  -6.724   0.086  -0.814
   76   1HB   ALA  12          HB1       ALA  12  -5.907  -1.627  -2.322
   77   2HB   ALA  12          HB2       ALA  12  -5.593  -0.030  -3.022
   78   3HB   ALA  12          HB3       ALA  12  -4.283  -0.970  -2.275
   79    HA   PRO  13           HA       PRO  13  -5.295  -2.114   2.757
   80   1HB   PRO  13          HB1       PRO  13  -6.395  -4.658   2.394
   81   2HB   PRO  13          HB2       PRO  13  -7.227  -3.295   3.169
   82   1HG   PRO  13          HG1       PRO  13  -7.834  -4.431   0.591
   83   2HG   PRO  13          HG2       PRO  13  -8.756  -3.261   1.524
   84   1HD   PRO  13          HD1       PRO  13  -6.971  -2.799  -0.747
   85   2HD   PRO  13          HD2       PRO  13  -8.029  -1.630   0.083
   86    H    ALA  14           H        ALA  14  -3.434  -3.381   3.219
   87    HA   ALA  14           HA       ALA  14  -1.621  -4.595   3.002
   88   1HB   ALA  14          HB1       ALA  14  -2.202  -6.661   2.455
   89   2HB   ALA  14          HB2       ALA  14  -3.584  -6.072   1.511
   90   3HB   ALA  14          HB3       ALA  14  -1.998  -6.240   0.745
   91    H    GLU  15           H        GLU  15  -2.500  -4.011  -0.394
   92    HA   GLU  15           HA       GLU  15  -0.048  -3.746  -1.507
   93   1HB   GLU  15          HB1       GLU  15  -2.756  -3.238  -2.231
   94   2HB   GLU  15          HB2       GLU  15  -1.861  -1.794  -2.607
   95   1HG   GLU  15          HG1       GLU  15  -1.726  -2.918  -4.593
   96   2HG   GLU  15          HG2       GLU  15  -0.194  -3.394  -3.852
   97    H    ASP  16           H        ASP  16  -1.938  -1.300   0.383
   98    HA   ASP  16           HA       ASP  16  -0.192   0.865   0.208
   99   1HB   ASP  16          HB1       ASP  16  -2.268   1.129   1.449
  100   2HB   ASP  16          HB2       ASP  16  -1.857  -0.098   2.612
  101    H    LEU  17           H        LEU  17  -0.102  -1.719   2.648
  102    HA   LEU  17           HA       LEU  17   2.239  -0.849   3.996
  103   1HB   LEU  17          HB1       LEU  17   1.582  -2.502   5.322
  104   2HB   LEU  17          HB2       LEU  17   0.425  -3.008   4.075
  105    HG   LEU  17           HG       LEU  17   2.198  -4.402   3.017
  106   1HD1  LEU  17          HD1       LEU  17   4.172  -3.469   4.300
  107   2HD1  LEU  17          HD1       LEU  17   3.429  -4.052   5.806
  108   3HD1  LEU  17          HD1       LEU  17   3.978  -5.201   4.545
  109   1HD2  LEU  17          HD2       LEU  17   1.917  -5.979   5.258
  110   2HD2  LEU  17          HD2       LEU  17   0.552  -4.878   5.419
  111   3HD2  LEU  17          HD2       LEU  17   0.743  -5.834   3.928
  112    H    ALA  18           H        ALA  18   1.763  -2.771   1.074
  113    HA   ALA  18           HA       ALA  18   4.470  -3.685   0.790
  114   1HB   ALA  18          HB1       ALA  18   3.746  -3.699  -1.760
  115   2HB   ALA  18          HB2       ALA  18   2.973  -4.812  -0.591
  116   3HB   ALA  18          HB3       ALA  18   2.152  -3.361  -1.107
  117    H    ARG  19           H        ARG  19   2.890  -0.680  -0.093
  118    HA   ARG  19           HA       ARG  19   4.987   0.506  -1.589
  119   1HB   ARG  19          HB1       ARG  19   2.488   1.203  -1.208
  120   2HB   ARG  19          HB2       ARG  19   3.086   1.974   0.258
  121   1HG   ARG  19          HG1       ARG  19   3.292   3.704  -1.296
  122   2HG   ARG  19          HG2       ARG  19   4.953   3.028  -1.244
  123   1HD   ARG  19          HD1       ARG  19   4.226   1.502  -3.200
  124   2HD   ARG  19          HD2       ARG  19   2.664   2.270  -3.252
  125    HE   ARG  19           HE       ARG  19   5.286   3.259  -4.147
  126   1HH1  ARG  19          HH1       ARG  19   3.980   6.169  -5.511
  127   2HH1  ARG  19          HH1       ARG  19   5.322   5.148  -5.363
  128   1HH2  ARG  19          HH2       ARG  19   1.906   5.496  -4.395
  129   2HH2  ARG  19          HH2       ARG  19   1.935   4.067  -3.415
  130    H    TYR  20           H        TYR  20   4.030   1.006   1.858
  131    HA   TYR  20           HA       TYR  20   6.311   2.471   2.539
  132   1HB   TYR  20          HB1       TYR  20   4.793   2.692   4.199
  133   2HB   TYR  20          HB2       TYR  20   4.095   1.092   3.930
  134    HD1  TYR  20           HD1      TYR  20   7.105   2.783   5.449
  135    HD2  TYR  20           HD2      TYR  20   4.274  -0.469   5.646
  136    HE1  TYR  20           HE1      TYR  20   8.061   2.078   7.657
  137    HE2  TYR  20           HE2      TYR  20   5.101  -1.007   7.936
  138    HH   TYR  20           HH       TYR  20   6.746  -0.725   9.455
  139    H    TYR  21           H        TYR  21   5.844  -0.895   2.116
  140    HA   TYR  21           HA       TYR  21   7.932  -1.975   3.710
  141   1HB   TYR  21          HB1       TYR  21   5.872  -3.031   2.223
  142   2HB   TYR  21          HB2       TYR  21   7.213  -3.392   1.129
  143    HD1  TYR  21           HD1      TYR  21   7.557  -5.727   1.361
  144    HD2  TYR  21           HD2      TYR  21   6.565  -3.374   4.850
  145    HE1  TYR  21           HE1      TYR  21   7.398  -7.747   2.719
  146    HE2  TYR  21           HE2      TYR  21   6.780  -5.430   6.264
  147    HH   TYR  21           HH       TYR  21   7.635  -8.568   4.871
  148    H    SER  22           H        SER  22   7.931  -0.728   0.311
  149    HA   SER  22           HA       SER  22  10.323  -1.820  -0.353
  150   1HB   SER  22          HB1       SER  22   8.833   0.572  -1.410
  151   2HB   SER  22          HB2       SER  22  10.172  -0.162  -2.270
  152    HG   SER  22           HG       SER  22   7.626  -1.307  -1.848
  153    H    ALA  23           H        ALA  23   9.514   1.270   1.217
  154    HA   ALA  23           HA       ALA  23  12.293   2.378   1.165
  155   1HB   ALA  23          HB1       ALA  23   9.736   3.197   2.451
  156   2HB   ALA  23          HB2       ALA  23  11.285   4.048   2.837
  157   3HB   ALA  23          HB3       ALA  23  10.669   4.029   1.152
  158    H    LEU  24           H        LEU  24  10.003   0.958   3.593
  159    HA   LEU  24           HA       LEU  24  11.734   0.683   5.669
  160   1HB   LEU  24          HB1       LEU  24   9.145   0.277   5.422
  161   2HB   LEU  24          HB2       LEU  24   9.551  -1.241   4.697
  162    HG   LEU  24           HG       LEU  24  10.921  -1.741   6.564
  163   1HD1  LEU  24          HD1       LEU  24   9.572   0.019   8.541
  164   2HD1  LEU  24          HD1       LEU  24  11.270  -0.376   8.383
  165   3HD1  LEU  24          HD1       LEU  24  10.532   0.914   7.372
  166   1HD2  LEU  24          HD2       LEU  24   9.077  -3.061   6.761
  167   2HD2  LEU  24          HD2       LEU  24   8.809  -2.141   8.240
  168   3HD2  LEU  24          HD2       LEU  24   7.941  -1.691   6.719
  169    H    ARG  25           H        ARG  25  11.423  -1.432   2.700
  170    HA   ARG  25           HA       ARG  25  13.245  -3.439   3.610
  171   1HB   ARG  25          HB1       ARG  25  11.983  -4.069   1.714
  172   2HB   ARG  25          HB2       ARG  25  12.305  -2.592   0.826
  173   1HG   ARG  25          HG1       ARG  25  14.601  -3.209   0.368
  174   2HG   ARG  25          HG2       ARG  25  14.540  -4.511   1.538
  175   1HD   ARG  25          HD1       ARG  25  14.285  -5.818  -0.280
  176   2HD   ARG  25          HD2       ARG  25  12.609  -5.374  -0.096
  177    HE   ARG  25           HE       ARG  25  14.230  -3.604  -1.832
  178   1HH1  ARG  25          HH1       ARG  25  12.417  -4.664  -4.675
  179   2HH1  ARG  25          HH1       ARG  25  13.657  -3.601  -4.185
  180   1HH2  ARG  25          HH2       ARG  25  11.632  -6.434  -3.249
  181   2HH2  ARG  25          HH2       ARG  25  12.227  -6.552  -1.694
  182    H    HIS  26           H        HIS  26  13.717  -0.365   1.660
  183    HA   HIS  26           HA       HIS  26  16.435  -0.921   1.282
  184   1HB   HIS  26          HB1       HIS  26  15.045   0.974   0.265
  185   2HB   HIS  26          HB2       HIS  26  15.262   1.886   1.758
  186    HD1  HIS  26           HD1      HIS  26  18.030  -0.051  -0.222
  187    HD2  HIS  26           HD2      HIS  26  16.976   3.738   1.251
  188    HE1  HIS  26           HE1      HIS  26  20.024   1.483  -0.671
  189    H    TYR  27           H        TYR  27  14.792   0.758   3.940
  190    HA   TYR  27           HA       TYR  27  17.118   1.189   5.540
  191   1HB   TYR  27          HB1       TYR  27  14.172   1.159   5.999
  192   2HB   TYR  27          HB2       TYR  27  15.177   0.817   7.410
  193    HD1  TYR  27           HD1      TYR  27  14.056   3.520   5.137
  194    HD2  TYR  27           HD2      TYR  27  16.826   2.389   8.267
  195    HE1  TYR  27           HE1      TYR  27  14.339   5.900   5.795
  196    HE2  TYR  27           HE2      TYR  27  17.298   4.806   8.702
  197    HH   TYR  27           HH       TYR  27  16.957   6.925   8.016
  198    H    ILE  28           H        ILE  28  14.732  -1.314   6.119
  199    HA   ILE  28           HA       ILE  28  16.181  -2.714   8.048
  200    HB   ILE  28           HB       ILE  28  14.129  -3.787   6.155
  201   1HG1  ILE  28          1HG1      ILE  28  13.965  -2.841   9.059
  202   2HG1  ILE  28          2HG1      ILE  28  13.348  -1.960   7.669
  203   1HG2  ILE  28          1HG2      ILE  28  15.010  -4.980   8.818
  204   2HG2  ILE  28          2HG2      ILE  28  13.899  -5.698   7.603
  205   3HG2  ILE  28          3HG2      ILE  28  15.592  -5.586   7.233
  206   1HD1  ILE  28          1HD1      ILE  28  12.267  -4.590   8.804
  207   2HD1  ILE  28          2HD1      ILE  28  11.494  -3.004   8.762
  208   3HD1  ILE  28          3HD1      ILE  28  11.731  -3.908   7.250
  209    H    ASN  29           H        ASN  29  16.483  -2.815   4.567
  210    HA   ASN  29           HA       ASN  29  18.352  -5.011   4.315
  211   1HB   ASN  29          HB1       ASN  29  17.332  -4.248   2.305
  212   2HB   ASN  29          HB2       ASN  29  17.777  -2.598   2.578
  213   1HD2  ASN  29          HD2       ASN  29  19.514  -1.744   1.773
  214   2HD2  ASN  29          HD2       ASN  29  20.769  -2.621   0.939
  215    H    LEU  30           H        LEU  30  18.835  -1.454   4.378
  216    HA   LEU  30           HA       LEU  30  21.723  -1.771   4.341
  217   1HB   LEU  30          HB1       LEU  30  21.975   0.602   4.576
  218   2HB   LEU  30          HB2       LEU  30  20.845   0.103   3.314
  219    HG   LEU  30           HG       LEU  30  19.085   0.578   5.137
  220   1HD1  LEU  30          HD1       LEU  30  21.053   1.316   6.818
  221   2HD1  LEU  30          HD1       LEU  30  20.678   2.874   6.120
  222   3HD1  LEU  30          HD1       LEU  30  19.387   1.936   6.888
  223   1HD2  LEU  30          HD2       LEU  30  19.888   3.230   4.138
  224   2HD2  LEU  30          HD2       LEU  30  19.920   1.986   2.895
  225   3HD2  LEU  30          HD2       LEU  30  18.441   2.260   3.818
  226    H    ILE  31           H        ILE  31  19.478  -0.867   6.973
  227    HA   ILE  31           HA       ILE  31  21.229  -0.501   9.067
  228    HB   ILE  31           HB       ILE  31  18.547  -0.455   8.635
  229   1HG1  ILE  31          1HG1      ILE  31  19.883   0.744  10.454
  230   2HG1  ILE  31          2HG1      ILE  31  18.153   0.486  10.555
  231   1HG2  ILE  31          1HG2      ILE  31  18.275  -2.859   8.806
  232   2HG2  ILE  31          2HG2      ILE  31  18.864  -2.874  10.465
  233   3HG2  ILE  31          3HG2      ILE  31  17.337  -2.048  10.040
  234   1HD1  ILE  31          1HD1      ILE  31  19.389   0.097  12.705
  235   2HD1  ILE  31          2HD1      ILE  31  18.329  -1.211  12.193
  236   3HD1  ILE  31          3HD1      ILE  31  20.101  -1.365  11.978
  237    H    THR  32           H        THR  32  19.857  -3.500   7.636
  238    HA   THR  32           HA       THR  32  21.265  -5.109   9.609
  239    HB   THR  32           HB       THR  32  20.537  -7.053   8.449
  240    HG1  THR  32           HG1      THR  32  19.326  -5.373   6.578
  241   1HG2  THR  32          1HG2      THR  32  18.483  -5.039   9.328
  242   2HG2  THR  32          2HG2      THR  32  17.971  -6.578   8.592
  243   3HG2  THR  32          3HG2      THR  32  19.001  -6.562  10.020
  244    H    ARG  33           H        ARG  33  21.750  -4.455   6.153
  245    HA   ARG  33           HA       ARG  33  23.867  -5.967   5.552
  246   1HB   ARG  33          HB1       ARG  33  22.631  -3.864   4.337
  247   2HB   ARG  33          HB2       ARG  33  24.291  -3.306   4.403
  248   1HG   ARG  33          HG1       ARG  33  24.578  -5.891   3.463
  249   2HG   ARG  33          HG2       ARG  33  22.952  -5.541   2.882
  250   1HD   ARG  33          HD1       ARG  33  24.515  -3.240   2.222
  251   2HD   ARG  33          HD2       ARG  33  25.548  -4.642   1.916
  252    HE   ARG  33           HE       ARG  33  22.803  -4.801   0.829
  253   1HH1  ARG  33          HH1       ARG  33  23.831  -4.097  -2.493
  254   2HH1  ARG  33          HH1       ARG  33  22.548  -4.716  -1.520
  255   1HH2  ARG  33          HH2       ARG  33  25.986  -3.666  -1.487
  256   2HH2  ARG  33          HH2       ARG  33  26.085  -3.707   0.240
  257    H    GLN  34           H        GLN  34  24.054  -2.688   7.015
  258    HA   GLN  34           HA       GLN  34  26.934  -2.632   7.360
  259   1HB   GLN  34          HB1       GLN  34  24.567  -1.027   8.388
  260   2HB   GLN  34          HB2       GLN  34  26.207  -0.677   8.898
  261   1HG   GLN  34          HG1       GLN  34  26.196  -0.867   5.983
  262   2HG   GLN  34          HG2       GLN  34  24.864   0.164   6.510
  263   1HE2  GLN  34          1HE2      GLN  34  28.234   0.237   5.830
  264   2HE2  GLN  34          2HE2      GLN  34  28.554   1.716   6.710
  265    H    ARG  35           H        ARG  35  24.234  -3.832   9.307
  266    HA   ARG  35           HA       ARG  35  25.957  -4.362  11.650
  267   1HB   ARG  35          HB1       ARG  35  23.773  -3.552  12.101
  268   2HB   ARG  35          HB2       ARG  35  22.995  -4.746  11.065
  269   1HG   ARG  35          HG1       ARG  35  23.375  -6.540  12.550
  270   2HG   ARG  35          HG2       ARG  35  24.672  -5.670  13.366
  271   1HD   ARG  35          HD1       ARG  35  22.164  -4.180  13.562
  272   2HD   ARG  35          HD2       ARG  35  21.923  -5.852  14.104
  273    HE   ARG  35           HE       ARG  35  24.309  -5.083  15.287
  274   1HH1  ARG  35          HH1       ARG  35  23.206  -3.409  18.160
  275   2HH1  ARG  35          HH1       ARG  35  24.527  -4.215  17.382
  276   1HH2  ARG  35          HH2       ARG  35  21.094  -3.200  16.935
  277   2HH2  ARG  35          HH2       ARG  35  21.019  -3.905  15.355
  278    H    TYR  36           H        TYR  36  23.581  -6.618  10.178
  279    HA   TYR  36           HA       TYR  36  25.256  -8.893  10.708
  280   1HB   TYR  36          HB1       TYR  36  23.271  -9.853  10.872
  281   2HB   TYR  36          HB2       TYR  36  22.498  -8.313  10.634
  282    HD1  TYR  36           HD1      TYR  36  22.657  -7.672   7.866
  283    HD2  TYR  36           HD2      TYR  36  21.959 -11.502   9.707
  284    HE1  TYR  36           HE1      TYR  36  21.365  -8.356   5.892
  285    HE2  TYR  36           HE2      TYR  36  20.762 -12.236   7.651
  286    HH   TYR  36           HH       TYR  36  20.758 -10.222   4.688
  287   1HN   NH2  37          HN1       NH2 237  24.991  -6.693   8.107
  288   2HN   NH2  37          HN2       NH2 237  25.838  -7.705   6.963
  Start of MODEL   15
    1   1H    TYR   1          HN1       TYR   1  17.169  16.524   5.690
    2   2H    TYR   1          HN2       TYR   1  15.820  15.555   5.541
    3   3H    TYR   1          HN3       TYR   1  15.859  17.044   4.817
    4    HA   TYR   1           HA       TYR   1  16.379  17.159   7.562
    5   1HB   TYR   1          HB1       TYR   1  15.098  18.746   5.472
    6   2HB   TYR   1          HB2       TYR   1  14.115  18.595   6.945
    7    HD1  TYR   1           HD1      TYR   1  15.641  18.740   9.169
    8    HD2  TYR   1           HD2      TYR   1  16.482  20.648   5.415
    9    HE1  TYR   1           HE1      TYR   1  16.925  20.499  10.364
   10    HE2  TYR   1           HE2      TYR   1  17.804  22.368   6.563
   11    HH   TYR   1           HH       TYR   1  18.195  22.290  10.183
   12    HA   PRO   2           HA       PRO   2  12.990  14.089   8.133
   13   1HB   PRO   2          HB1       PRO   2  13.555  13.530  10.833
   14   2HB   PRO   2          HB2       PRO   2  14.270  12.744   9.405
   15   1HG   PRO   2          HG1       PRO   2  15.492  14.718  11.250
   16   2HG   PRO   2          HG2       PRO   2  16.271  13.542  10.159
   17   1HD   PRO   2          HD1       PRO   2  15.905  16.359   9.753
   18   2HD   PRO   2          HD2       PRO   2  16.412  15.148   8.479
   19    H    SER   3           H        SER   3  11.355  15.645   7.912
   20    HA   SER   3           HA       SER   3  10.209  16.625  10.461
   21   1HB   SER   3          HB1       SER   3   9.791  18.805   9.516
   22   2HB   SER   3          HB2       SER   3  11.577  18.464   9.694
   23    HG   SER   3           HG       SER   3  11.620  18.056   7.469
   24    H    LYS   4           H        LYS   4   9.604  17.379   7.122
   25    HA   LYS   4           HA       LYS   4   6.964  17.377   7.005
   26   1HB   LYS   4          HB1       LYS   4   8.443  17.860   5.178
   27   2HB   LYS   4          HB2       LYS   4   8.601  16.152   4.786
   28   1HG   LYS   4          HG1       LYS   4   5.829  17.493   5.049
   29   2HG   LYS   4          HG2       LYS   4   6.751  17.576   3.544
   30   1HD   LYS   4          HD1       LYS   4   6.992  15.058   3.631
   31   2HD   LYS   4          HD2       LYS   4   5.722  15.050   4.879
   32   1HE   LYS   4          HE1       LYS   4   4.112  16.028   3.433
   33   2HE   LYS   4          HE2       LYS   4   5.299  16.396   2.194
   34   1HZ   LYS   4          HZ1       LYS   4   5.398  13.671   2.741
   35   2HZ   LYS   4          HZ2       LYS   4   3.824  14.110   2.424
   36   3HZ   LYS   4          HZ3       LYS   4   4.997  14.441   1.334
   37    HA   PRO   5           HA       PRO   5   6.504  13.031   8.418
   38   1HB   PRO   5          HB1       PRO   5   3.900  13.391   9.455
   39   2HB   PRO   5          HB2       PRO   5   5.457  13.646  10.320
   40   1HG   PRO   5          HG1       PRO   5   3.534  15.694   9.325
   41   2HG   PRO   5          HG2       PRO   5   4.821  15.846  10.553
   42   1HD   PRO   5          HD1       PRO   5   4.791  16.608   7.764
   43   2HD   PRO   5          HD2       PRO   5   6.168  16.751   8.912
   44    H    ASP   6           H        ASP   6   6.093  11.722   6.724
   45    HA   ASP   6           HA       ASP   6   4.681  12.102   4.476
   46   1HB   ASP   6          HB1       ASP   6   4.811   9.464   5.973
   47   2HB   ASP   6          HB2       ASP   6   4.551   9.643   4.303
   48    H    ASN   7           H        ASN   7   2.653  11.187   3.672
   49    HA   ASN   7           HA       ASN   7   0.493  12.096   5.301
   50   1HB   ASN   7          HB1       ASN   7   0.609  10.298   2.812
   51   2HB   ASN   7          HB2       ASN   7  -0.948  10.746   3.524
   52   1HD2  ASN   7          HD2       ASN   7  -1.194  11.729   1.322
   53   2HD2  ASN   7          HD2       ASN   7  -0.691  13.408   1.228
   54    HA   PRO   8           HA       PRO   8  -0.432   8.533   7.694
   55   1HB   PRO   8          HB1       PRO   8  -3.142   8.779   7.819
   56   2HB   PRO   8          HB2       PRO   8  -1.911   9.696   8.792
   57   1HG   PRO   8          HG1       PRO   8  -3.752  10.578   6.639
   58   2HG   PRO   8          HG2       PRO   8  -2.938  11.533   7.920
   59   1HD   PRO   8          HD1       PRO   8  -2.193  11.200   5.209
   60   2HD   PRO   8          HD2       PRO   8  -1.264  12.049   6.504
   61    H    GLY   9           H        GLY   9  -2.398   8.998   4.697
   62   1HA   GLY   9          HA1       GLY   9  -2.101   7.270   3.030
   63   2HA   GLY   9          HA2       GLY   9  -2.416   6.067   4.338
   64    H    GLU  10           H        GLU  10  -4.019   7.042   1.735
   65    HA   GLU  10           HA       GLU  10  -6.542   6.555   3.127
   66   1HB   GLU  10          HB1       GLU  10  -6.098   9.177   3.357
   67   2HB   GLU  10          HB2       GLU  10  -6.334   9.236   1.610
   68   1HG   GLU  10          HG1       GLU  10  -8.442   7.662   2.391
   69   2HG   GLU  10          HG2       GLU  10  -8.233   8.719   3.790
   70    H    ASP  11           H        ASP  11  -6.427   4.652   1.585
   71    HA   ASP  11           HA       ASP  11  -7.358   5.429  -1.159
   72   1HB   ASP  11          HB1       ASP  11  -4.515   4.580  -0.786
   73   2HB   ASP  11          HB2       ASP  11  -5.467   4.069  -2.217
   74    H    ALA  12           H        ALA  12  -5.292   2.806  -0.153
   75    HA   ALA  12           HA       ALA  12  -7.693   1.096   0.219
   76   1HB   ALA  12          HB1       ALA  12  -7.422   0.318  -1.838
   77   2HB   ALA  12          HB2       ALA  12  -5.755   0.918  -2.027
   78   3HB   ALA  12          HB3       ALA  12  -6.059  -0.620  -1.192
   79    HA   PRO  13           HA       PRO  13  -5.261  -0.365   3.541
   80   1HB   PRO  13          HB1       PRO  13  -6.291  -2.986   3.826
   81   2HB   PRO  13          HB2       PRO  13  -7.032  -1.460   4.386
   82   1HG   PRO  13          HG1       PRO  13  -7.871  -3.176   2.107
   83   2HG   PRO  13          HG2       PRO  13  -8.801  -1.961   3.035
   84   1HD   PRO  13          HD1       PRO  13  -7.558  -1.644   0.480
   85   2HD   PRO  13          HD2       PRO  13  -8.440  -0.432   1.487
   86    H    ALA  14           H        ALA  14  -3.305  -1.303   3.713
   87    HA   ALA  14           HA       ALA  14  -1.499  -2.725   3.331
   88   1HB   ALA  14          HB1       ALA  14  -2.361  -4.486   1.275
   89   2HB   ALA  14          HB2       ALA  14  -1.896  -4.855   2.965
   90   3HB   ALA  14          HB3       ALA  14  -3.594  -4.502   2.574
   91    H    GLU  15           H        GLU  15  -3.264  -2.225   0.251
   92    HA   GLU  15           HA       GLU  15  -1.085  -1.991  -1.302
   93   1HB   GLU  15          HB1       GLU  15  -3.812  -1.631  -1.622
   94   2HB   GLU  15          HB2       GLU  15  -3.271   0.043  -1.769
   95   1HG   GLU  15          HG1       GLU  15  -1.546  -1.910  -3.338
   96   2HG   GLU  15          HG2       GLU  15  -3.304  -2.001  -3.600
   97    H    ASP  16           H        ASP  16  -2.468   0.470   0.802
   98    HA   ASP  16           HA       ASP  16  -0.628   2.505  -0.054
   99   1HB   ASP  16          HB1       ASP  16  -2.989   2.673   1.255
  100   2HB   ASP  16          HB2       ASP  16  -1.935   2.547   2.667
  101    H    LEU  17           H        LEU  17  -0.633   0.007   2.286
  102    HA   LEU  17           HA       LEU  17   1.532   1.095   3.894
  103   1HB   LEU  17          HB1       LEU  17   0.673  -1.822   3.772
  104   2HB   LEU  17          HB2       LEU  17   1.469  -1.028   5.097
  105    HG   LEU  17           HG       LEU  17  -1.356  -0.309   4.189
  106   1HD1  LEU  17          HD1       LEU  17  -0.698  -2.722   5.364
  107   2HD1  LEU  17          HD1       LEU  17  -1.040  -1.748   6.779
  108   3HD1  LEU  17          HD1       LEU  17  -2.255  -1.871   5.499
  109   1HD2  LEU  17          HD2       LEU  17   0.510   0.655   6.291
  110   2HD2  LEU  17          HD2       LEU  17  -0.748   1.557   5.465
  111   3HD2  LEU  17          HD2       LEU  17  -1.164   0.481   6.814
  112    H    ALA  18           H        ALA  18   1.140  -1.016   1.096
  113    HA   ALA  18           HA       ALA  18   3.717  -2.238   0.964
  114   1HB   ALA  18          HB1       ALA  18   2.631  -1.548  -1.662
  115   2HB   ALA  18          HB2       ALA  18   2.817  -3.128  -0.852
  116   3HB   ALA  18          HB3       ALA  18   1.358  -2.199  -0.616
  117    H    ARG  19           H        ARG  19   2.656   1.063   0.464
  118    HA   ARG  19           HA       ARG  19   4.868   1.943  -1.107
  119   1HB   ARG  19          HB1       ARG  19   3.015   3.094  -1.040
  120   2HB   ARG  19          HB2       ARG  19   2.948   3.385   0.719
  121   1HG   ARG  19          HG1       ARG  19   5.333   4.318  -0.771
  122   2HG   ARG  19          HG2       ARG  19   3.717   5.142  -0.899
  123   1HD   ARG  19          HD1       ARG  19   4.330   4.705   1.902
  124   2HD   ARG  19          HD2       ARG  19   5.726   5.502   1.073
  125    HE   ARG  19           HE       ARG  19   2.929   6.419   0.668
  126   1HH1  ARG  19          HH1       ARG  19   3.589   9.386   2.531
  127   2HH1  ARG  19          HH1       ARG  19   2.435   8.607   1.465
  128   1HH2  ARG  19          HH2       ARG  19   5.526   8.296   3.266
  129   2HH2  ARG  19          HH2       ARG  19   5.773   6.673   2.734
  130    H    TYR  20           H        TYR  20   4.057   2.320   2.367
  131    HA   TYR  20           HA       TYR  20   6.679   3.367   3.031
  132   1HB   TYR  20          HB1       TYR  20   5.692   3.791   5.029
  133   2HB   TYR  20          HB2       TYR  20   4.254   3.108   4.272
  134    HD1  TYR  20           HD1      TYR  20   3.288   1.097   4.821
  135    HD2  TYR  20           HD2      TYR  20   6.974   2.325   6.553
  136    HE1  TYR  20           HE1      TYR  20   3.163  -0.860   6.343
  137    HE2  TYR  20           HE2      TYR  20   6.702   0.577   8.277
  138    HH   TYR  20           HH       TYR  20   3.937  -1.227   8.579
  139    H    TYR  21           H        TYR  21   5.576   0.213   2.338
  140    HA   TYR  21           HA       TYR  21   7.357  -1.231   4.055
  141   1HB   TYR  21          HB1       TYR  21   5.108  -1.735   2.443
  142   2HB   TYR  21          HB2       TYR  21   6.357  -2.580   1.567
  143    HD1  TYR  21           HD1      TYR  21   4.375  -2.243   4.707
  144    HD2  TYR  21           HD2      TYR  21   7.408  -4.464   2.649
  145    HE1  TYR  21           HE1      TYR  21   4.101  -4.084   6.326
  146    HE2  TYR  21           HE2      TYR  21   7.096  -6.351   4.221
  147    HH   TYR  21           HH       TYR  21   6.280  -6.896   6.368
  148    H    SER  22           H        SER  22   7.314  -0.274   0.550
  149    HA   SER  22           HA       SER  22   9.491  -1.659  -0.258
  150   1HB   SER  22          HB1       SER  22   7.892   0.554  -1.141
  151   2HB   SER  22          HB2       SER  22   9.600   0.921  -1.596
  152    HG   SER  22           HG       SER  22   9.583  -0.940  -2.799
  153    H    ALA  23           H        ALA  23   9.316   1.537   1.142
  154    HA   ALA  23           HA       ALA  23  12.175   2.112   0.986
  155   1HB   ALA  23          HB1       ALA  23  10.743   3.494   3.172
  156   2HB   ALA  23          HB2       ALA  23  11.568   4.150   1.739
  157   3HB   ALA  23          HB3       ALA  23   9.879   3.566   1.635
  158    H    LEU  24           H        LEU  24   9.975   0.652   3.369
  159    HA   LEU  24           HA       LEU  24  11.999   0.462   5.365
  160   1HB   LEU  24          HB1       LEU  24   9.205  -0.625   4.924
  161   2HB   LEU  24          HB2       LEU  24  10.203  -1.672   5.881
  162    HG   LEU  24           HG       LEU  24   9.123   1.081   6.501
  163   1HD1  LEU  24          HD1       LEU  24   9.530  -1.546   8.029
  164   2HD1  LEU  24          HD1       LEU  24   8.742  -0.094   8.675
  165   3HD1  LEU  24          HD1       LEU  24   8.051  -1.027   7.275
  166   1HD2  LEU  24          HD2       LEU  24  10.737   1.022   8.556
  167   2HD2  LEU  24          HD2       LEU  24  11.734   0.012   7.492
  168   3HD2  LEU  24          HD2       LEU  24  11.272   1.680   7.008
  169    H    ARG  25           H        ARG  25  11.126  -1.549   2.664
  170    HA   ARG  25           HA       ARG  25  12.636  -3.785   3.488
  171   1HB   ARG  25          HB1       ARG  25  11.284  -4.215   1.675
  172   2HB   ARG  25          HB2       ARG  25  11.658  -2.744   0.838
  173   1HG   ARG  25          HG1       ARG  25  13.606  -3.366  -0.083
  174   2HG   ARG  25          HG2       ARG  25  13.936  -4.694   1.076
  175   1HD   ARG  25          HD1       ARG  25  12.490  -6.171   0.136
  176   2HD   ARG  25          HD2       ARG  25  11.648  -4.909  -0.805
  177    HE   ARG  25           HE       ARG  25  14.367  -4.959  -1.567
  178   1HH1  ARG  25          HH1       ARG  25  13.705  -6.852  -4.437
  179   2HH1  ARG  25          HH1       ARG  25  14.895  -5.924  -3.603
  180   1HH2  ARG  25          HH2       ARG  25  11.618  -7.203  -3.499
  181   2HH2  ARG  25          HH2       ARG  25  11.249  -6.567  -1.966
  182    H    HIS  26           H        HIS  26  13.494  -0.864   1.662
  183    HA   HIS  26           HA       HIS  26  16.294  -1.624   1.122
  184   1HB   HIS  26          HB1       HIS  26  14.853   0.301  -0.036
  185   2HB   HIS  26          HB2       HIS  26  15.118   1.183   1.460
  186    HD1  HIS  26           HD1      HIS  26  17.523  -0.801  -0.808
  187    HD2  HIS  26           HD2      HIS  26  17.105   2.884   1.166
  188    HE1  HIS  26           HE1      HIS  26  19.657   0.505  -1.239
  189    H    TYR  27           H        TYR  27  14.967   0.695   3.553
  190    HA   TYR  27           HA       TYR  27  17.399   1.036   4.981
  191   1HB   TYR  27          HB1       TYR  27  14.509   0.947   5.577
  192   2HB   TYR  27          HB2       TYR  27  15.542   0.597   6.971
  193    HD1  TYR  27           HD1      TYR  27  14.136   3.200   4.967
  194    HD2  TYR  27           HD2      TYR  27  17.484   2.215   7.490
  195    HE1  TYR  27           HE1      TYR  27  14.516   5.573   5.378
  196    HE2  TYR  27           HE2      TYR  27  18.048   4.627   7.683
  197    HH   TYR  27           HH       TYR  27  16.371   7.135   6.111
  198    H    ILE  28           H        ILE  28  15.091  -1.654   5.377
  199    HA   ILE  28           HA       ILE  28  16.401  -3.062   7.341
  200    HB   ILE  28           HB       ILE  28  14.950  -3.999   4.968
  201   1HG1  ILE  28          1HG1      ILE  28  14.300  -4.246   7.915
  202   2HG1  ILE  28          2HG1      ILE  28  13.920  -2.794   7.047
  203   1HG2  ILE  28          1HG2      ILE  28  14.934  -6.302   6.118
  204   2HG2  ILE  28          2HG2      ILE  28  16.433  -5.781   5.318
  205   3HG2  ILE  28          3HG2      ILE  28  16.314  -5.735   7.079
  206   1HD1  ILE  28          1HD1      ILE  28  12.112  -3.736   6.034
  207   2HD1  ILE  28          2HD1      ILE  28  13.042  -5.143   5.490
  208   3HD1  ILE  28          3HD1      ILE  28  12.332  -5.110   7.125
  209    H    ASN  29           H        ASN  29  17.523  -2.697   4.073
  210    HA   ASN  29           HA       ASN  29  19.653  -4.728   3.978
  211   1HB   ASN  29          HB1       ASN  29  18.890  -3.518   1.934
  212   2HB   ASN  29          HB2       ASN  29  19.370  -2.000   2.648
  213   1HD2  ASN  29          HD2       ASN  29  20.718  -1.260   1.075
  214   2HD2  ASN  29          HD2       ASN  29  22.351  -1.928   1.094
  215    H    LEU  30           H        LEU  30  19.727  -1.212   4.808
  216    HA   LEU  30           HA       LEU  30  22.530  -1.430   5.679
  217   1HB   LEU  30          HB1       LEU  30  22.537   0.975   6.015
  218   2HB   LEU  30          HB2       LEU  30  22.043   0.460   4.407
  219    HG   LEU  30           HG       LEU  30  19.604   0.717   5.441
  220   1HD1  LEU  30          HD1       LEU  30  21.342   2.407   7.276
  221   2HD1  LEU  30          HD1       LEU  30  19.657   2.840   6.941
  222   3HD1  LEU  30          HD1       LEU  30  20.020   1.338   7.749
  223   1HD2  LEU  30          HD2       LEU  30  19.299   2.620   4.297
  224   2HD2  LEU  30          HD2       LEU  30  20.872   3.306   4.781
  225   3HD2  LEU  30          HD2       LEU  30  20.771   2.023   3.542
  226    H    ILE  31           H        ILE  31  19.384  -0.813   7.068
  227    HA   ILE  31           HA       ILE  31  20.025  -0.407   9.694
  228    HB   ILE  31           HB       ILE  31  17.660  -0.917   8.179
  229   1HG1  ILE  31          1HG1      ILE  31  18.156   0.764  10.066
  230   2HG1  ILE  31          2HG1      ILE  31  16.495   0.182   9.712
  231   1HG2  ILE  31          1HG2      ILE  31  17.867  -3.301   8.777
  232   2HG2  ILE  31          2HG2      ILE  31  17.855  -2.939  10.475
  233   3HG2  ILE  31          3HG2      ILE  31  16.432  -2.515   9.465
  234   1HD1  ILE  31          1HD1      ILE  31  17.134   0.172  12.194
  235   2HD1  ILE  31          2HD1      ILE  31  16.689  -1.422  11.596
  236   3HD1  ILE  31          3HD1      ILE  31  18.435  -0.920  11.689
  237    H    THR  32           H        THR  32  19.971  -3.471   7.814
  238    HA   THR  32           HA       THR  32  20.519  -4.937  10.232
  239    HB   THR  32           HB       THR  32  21.046  -6.820   8.545
  240    HG1  THR  32           HG1      THR  32  21.589  -5.236   6.834
  241   1HG2  THR  32          1HG2      THR  32  18.398  -5.387   8.793
  242   2HG2  THR  32          2HG2      THR  32  18.576  -6.527   7.431
  243   3HG2  THR  32          3HG2      THR  32  18.744  -7.110   9.054
  244    H    ARG  33           H        ARG  33  22.390  -3.522   7.660
  245    HA   ARG  33           HA       ARG  33  24.840  -4.611   7.857
  246   1HB   ARG  33          HB1       ARG  33  23.931  -2.360   6.815
  247   2HB   ARG  33          HB2       ARG  33  25.172  -1.734   7.994
  248   1HG   ARG  33          HG1       ARG  33  26.614  -3.549   6.885
  249   2HG   ARG  33          HG2       ARG  33  25.343  -3.677   5.621
  250   1HD   ARG  33          HD1       ARG  33  25.835  -1.710   4.685
  251   2HD   ARG  33          HD2       ARG  33  26.202  -0.907   6.214
  252    HE   ARG  33           HE       ARG  33  28.282  -2.671   5.957
  253   1HH1  ARG  33          HH1       ARG  33  30.437  -1.117   3.620
  254   2HH1  ARG  33          HH1       ARG  33  30.337  -2.276   4.869
  255   1HH2  ARG  33          HH2       ARG  33  28.451   0.098   2.955
  256   2HH2  ARG  33          HH2       ARG  33  26.974  -0.189   3.735
  257    H    GLN  34           H        GLN  34  23.434  -2.220  10.042
  258    HA   GLN  34           HA       GLN  34  25.717  -2.117  11.846
  259   1HB   GLN  34          HB1       GLN  34  24.277  -0.749  13.268
  260   2HB   GLN  34          HB2       GLN  34  24.448  -0.087  11.608
  261   1HG   GLN  34          HG1       GLN  34  22.294  -0.716  10.948
  262   2HG   GLN  34          HG2       GLN  34  22.090  -1.795  12.349
  263   1HE2  GLN  34          1HE2      GLN  34  20.571   0.627  11.314
  264   2HE2  GLN  34          2HE2      GLN  34  20.292   1.544  12.802
  265    H    ARG  35           H        ARG  35  22.558  -3.787  11.749
  266    HA   ARG  35           HA       ARG  35  23.266  -5.995  13.237
  267   1HB   ARG  35          HB1       ARG  35  22.012  -5.448  15.406
  268   2HB   ARG  35          HB2       ARG  35  23.592  -4.708  15.253
  269   1HG   ARG  35          HG1       ARG  35  22.703  -2.661  15.638
  270   2HG   ARG  35          HG2       ARG  35  21.784  -2.756  14.161
  271   1HD   ARG  35          HD1       ARG  35  20.015  -2.549  15.311
  272   2HD   ARG  35          HD2       ARG  35  20.048  -4.252  15.450
  273    HE   ARG  35           HE       ARG  35  20.627  -4.172  17.642
  274   1HH1  ARG  35          HH1       ARG  35  21.253  -1.329  19.704
  275   2HH1  ARG  35          HH1       ARG  35  20.946  -3.031  19.683
  276   1HH2  ARG  35          HH2       ARG  35  21.221  -0.110  17.676
  277   2HH2  ARG  35          HH2       ARG  35  21.017  -0.961  16.181
  278    H    TYR  36           H        TYR  36  21.861  -7.045  11.882
  279    HA   TYR  36           HA       TYR  36  19.369  -6.562  10.931
  280   1HB   TYR  36          HB1       TYR  36  19.806  -8.724  10.549
  281   2HB   TYR  36          HB2       TYR  36  20.732  -8.906  12.020
  282    HD1  TYR  36           HD1      TYR  36  17.153  -8.575  10.973
  283    HD2  TYR  36           HD2      TYR  36  19.965 -10.157  13.801
  284    HE1  TYR  36           HE1      TYR  36  15.385  -9.924  11.989
  285    HE2  TYR  36           HE2      TYR  36  18.195 -11.466  14.845
  286    HH   TYR  36           HH       TYR  36  15.764 -11.562  15.023
  287   1HN   NH2  37          HN1       NH2 237  19.804  -7.362  14.251
  288   2HN   NH2  37          HN2       NH2 237  18.204  -6.728  14.782
  Start of MODEL   16
    1   1H    TYR   1          HN1       TYR   1 -24.102   7.278  -4.155
    2   2H    TYR   1          HN2       TYR   1 -24.227   5.950  -3.197
    3   3H    TYR   1          HN3       TYR   1 -25.465   7.026  -3.237
    4    HA   TYR   1           HA       TYR   1 -23.147   8.350  -2.478
    5   1HB   TYR   1          HB1       TYR   1 -25.494   7.351  -0.822
    6   2HB   TYR   1          HB2       TYR   1 -24.227   8.269  -0.107
    7    HD1  TYR   1           HD1      TYR   1 -27.244   8.426  -2.037
    8    HD2  TYR   1           HD2      TYR   1 -23.677  10.605  -0.944
    9    HE1  TYR   1           HE1      TYR   1 -28.372  10.547  -2.562
   10    HE2  TYR   1           HE2      TYR   1 -24.835  12.735  -1.432
   11    HH   TYR   1           HH       TYR   1 -27.193  13.668  -1.666
   12    HA   PRO   2           HA       PRO   2 -20.662   4.978  -0.810
   13   1HB   PRO   2          HB1       PRO   2 -19.268   6.195   1.247
   14   2HB   PRO   2          HB2       PRO   2 -18.946   6.402  -0.487
   15   1HG   PRO   2          HG1       PRO   2 -20.190   8.402   1.318
   16   2HG   PRO   2          HG2       PRO   2 -19.257   8.629  -0.175
   17   1HD   PRO   2          HD1       PRO   2 -22.097   8.569   0.169
   18   2HD   PRO   2          HD2       PRO   2 -21.211   8.728  -1.376
   19    H    SER   3           H        SER   3 -21.735   7.015   1.996
   20    HA   SER   3           HA       SER   3 -22.503   6.513   4.050
   21   1HB   SER   3          HB1       SER   3 -24.671   5.048   4.002
   22   2HB   SER   3          HB2       SER   3 -24.589   6.678   3.366
   23    HG   SER   3           HG       SER   3 -23.957   4.658   1.566
   24    H    LYS   4           H        LYS   4 -20.512   5.523   4.749
   25    HA   LYS   4           HA       LYS   4 -20.906   2.787   5.643
   26   1HB   LYS   4          HB1       LYS   4 -19.355   3.443   3.242
   27   2HB   LYS   4          HB2       LYS   4 -18.273   2.783   4.466
   28   1HG   LYS   4          HG1       LYS   4 -19.452   0.754   4.624
   29   2HG   LYS   4          HG2       LYS   4 -20.904   1.384   3.830
   30   1HD   LYS   4          HD1       LYS   4 -18.294   1.058   2.343
   31   2HD   LYS   4          HD2       LYS   4 -19.376  -0.288   2.584
   32   1HE   LYS   4          HE1       LYS   4 -21.111   0.809   1.332
   33   2HE   LYS   4          HE2       LYS   4 -20.207   2.334   1.286
   34   1HZ   LYS   4          HZ1       LYS   4 -18.993  -0.004  -0.044
   35   2HZ   LYS   4          HZ2       LYS   4 -20.176   0.799  -0.773
   36   3HZ   LYS   4          HZ3       LYS   4 -18.828   1.574  -0.353
   37    HA   PRO   5           HA       PRO   5 -18.553   4.332   9.017
   38   1HB   PRO   5          HB1       PRO   5 -17.356   2.044  10.079
   39   2HB   PRO   5          HB2       PRO   5 -19.018   2.551  10.291
   40   1HG   PRO   5          HG1       PRO   5 -18.097   0.319   8.643
   41   2HG   PRO   5          HG2       PRO   5 -19.679   0.642   9.356
   42   1HD   PRO   5          HD1       PRO   5 -18.836   1.118   6.667
   43   2HD   PRO   5          HD2       PRO   5 -20.431   1.520   7.387
   44    H    ASP   6           H        ASP   6 -16.350   1.771   7.793
   45    HA   ASP   6           HA       ASP   6 -14.373   3.349   6.456
   46   1HB   ASP   6          HB1       ASP   6 -13.840   3.990   8.798
   47   2HB   ASP   6          HB2       ASP   6 -13.843   2.283   9.270
   48    H    ASN   7           H        ASN   7 -13.168   1.786   5.254
   49    HA   ASN   7           HA       ASN   7 -12.681  -0.827   5.973
   50   1HB   ASN   7          HB1       ASN   7 -15.380  -0.676   4.875
   51   2HB   ASN   7          HB2       ASN   7 -14.364  -1.470   3.714
   52   1HD2  ASN   7          HD2       ASN   7 -12.789  -3.248   4.782
   53   2HD2  ASN   7          HD2       ASN   7 -13.577  -4.265   5.967
   54    HA   PRO   8           HA       PRO   8 -10.308   0.934   2.426
   55   1HB   PRO   8          HB1       PRO   8  -7.806   0.021   3.118
   56   2HB   PRO   8          HB2       PRO   8  -8.525   1.542   3.648
   57   1HG   PRO   8          HG1       PRO   8  -8.143  -0.951   5.240
   58   2HG   PRO   8          HG2       PRO   8  -8.304   0.732   5.785
   59   1HD   PRO   8          HD1       PRO   8 -10.338  -1.267   5.821
   60   2HD   PRO   8          HD2       PRO   8 -10.554   0.482   6.142
   61    H    GLY   9           H        GLY   9 -10.878  -0.334   0.657
   62   1HA   GLY   9          HA1       GLY   9  -9.443  -2.671  -0.017
   63   2HA   GLY   9          HA2       GLY   9 -11.033  -3.139   0.591
   64    H    GLU  10           H        GLU  10  -9.224  -2.026  -2.061
   65    HA   GLU  10           HA       GLU  10 -11.240  -2.251  -4.010
   66   1HB   GLU  10          HB1       GLU  10 -11.030   0.372  -2.619
   67   2HB   GLU  10          HB2       GLU  10 -10.685   0.532  -4.350
   68   1HG   GLU  10          HG1       GLU  10 -12.749  -0.011  -5.004
   69   2HG   GLU  10          HG2       GLU  10 -13.104  -1.058  -3.645
   70    H    ASP  11           H        ASP  11  -9.700  -3.301  -5.141
   71    HA   ASP  11           HA       ASP  11  -7.873  -3.858  -6.174
   72   1HB   ASP  11          HB1       ASP  11  -8.335  -1.013  -6.943
   73   2HB   ASP  11          HB2       ASP  11  -6.712  -1.641  -7.310
   74    H    ALA  12           H        ALA  12  -6.681  -4.696  -4.803
   75    HA   ALA  12           HA       ALA  12  -4.829  -5.172  -3.564
   76   1HB   ALA  12          HB1       ALA  12  -3.597  -4.363  -5.463
   77   2HB   ALA  12          HB2       ALA  12  -3.762  -2.681  -4.934
   78   3HB   ALA  12          HB3       ALA  12  -2.823  -3.781  -3.951
   79    HA   PRO  13           HA       PRO  13  -6.453  -2.187  -0.495
   80   1HB   PRO  13          HB1       PRO  13  -6.362  -3.934   1.678
   81   2HB   PRO  13          HB2       PRO  13  -7.758  -3.616   0.675
   82   1HG   PRO  13          HG1       PRO  13  -6.147  -6.079   0.682
   83   2HG   PRO  13          HG2       PRO  13  -7.750  -5.721  -0.031
   84   1HD   PRO  13          HD1       PRO  13  -5.196  -5.841  -1.395
   85   2HD   PRO  13          HD2       PRO  13  -6.800  -5.565  -2.125
   86    H    ALA  14           H        ALA  14  -5.173  -1.064   0.889
   87    HA   ALA  14           HA       ALA  14  -3.359  -0.402   2.035
   88   1HB   ALA  14          HB1       ALA  14  -2.073  -3.108   2.137
   89   2HB   ALA  14          HB2       ALA  14  -2.144  -1.815   3.329
   90   3HB   ALA  14          HB3       ALA  14  -3.530  -2.859   3.102
   91    H    GLU  15           H        GLU  15  -3.396  -0.961  -1.079
   92    HA   GLU  15           HA       GLU  15  -0.933  -1.364  -2.047
   93   1HB   GLU  15          HB1       GLU  15  -3.239  -0.269  -3.148
   94   2HB   GLU  15          HB2       GLU  15  -2.162   1.105  -3.231
   95   1HG   GLU  15          HG1       GLU  15  -0.438  -0.675  -4.172
   96   2HG   GLU  15          HG2       GLU  15  -1.863  -1.685  -4.394
   97    H    ASP  16           H        ASP  16  -2.017   1.564  -0.447
   98    HA   ASP  16           HA       ASP  16   0.297   3.154  -0.701
   99   1HB   ASP  16          HB1       ASP  16  -2.327   3.463   0.403
  100   2HB   ASP  16          HB2       ASP  16  -1.289   3.578   1.815
  101    H    LEU  17           H        LEU  17  -0.725   1.089   1.903
  102    HA   LEU  17           HA       LEU  17   1.510   1.615   3.626
  103   1HB   LEU  17          HB1       LEU  17   0.295   0.502   5.063
  104   2HB   LEU  17          HB2       LEU  17  -0.894   0.159   3.798
  105    HG   LEU  17           HG       LEU  17   0.225  -1.968   3.335
  106   1HD1  LEU  17          HD1       LEU  17   2.407  -2.137   3.901
  107   2HD1  LEU  17          HD1       LEU  17   2.323  -0.741   4.999
  108   3HD1  LEU  17          HD1       LEU  17   1.905  -2.361   5.581
  109   1HD2  LEU  17          HD2       LEU  17  -0.098  -2.192   6.314
  110   2HD2  LEU  17          HD2       LEU  17  -1.384  -1.332   5.488
  111   3HD2  LEU  17          HD2       LEU  17  -0.983  -2.972   5.021
  112    H    ALA  18           H        ALA  18   0.885  -0.664   1.048
  113    HA   ALA  18           HA       ALA  18   3.241  -2.264   1.222
  114   1HB   ALA  18          HB1       ALA  18   1.400  -3.117   0.020
  115   2HB   ALA  18          HB2       ALA  18   1.316  -1.689  -1.024
  116   3HB   ALA  18          HB3       ALA  18   2.683  -2.792  -1.163
  117    H    ARG  19           H        ARG  19   2.709   0.977   0.033
  118    HA   ARG  19           HA       ARG  19   5.019   1.178  -1.651
  119   1HB   ARG  19          HB1       ARG  19   2.751   2.689  -1.266
  120   2HB   ARG  19          HB2       ARG  19   3.869   3.592  -0.247
  121   1HG   ARG  19          HG1       ARG  19   3.859   4.479  -2.470
  122   2HG   ARG  19          HG2       ARG  19   5.438   3.702  -2.231
  123   1HD   ARG  19          HD1       ARG  19   3.172   1.965  -3.277
  124   2HD   ARG  19          HD2       ARG  19   3.642   3.301  -4.335
  125    HE   ARG  19           HE       ARG  19   6.050   2.207  -3.835
  126   1HH1  ARG  19          HH1       ARG  19   6.057   0.275  -6.677
  127   2HH1  ARG  19          HH1       ARG  19   6.980   0.945  -5.351
  128   1HH2  ARG  19          HH2       ARG  19   3.650   0.311  -6.524
  129   2HH2  ARG  19          HH2       ARG  19   2.972   1.271  -5.270
  130    H    TYR  20           H        TYR  20   4.226   2.059   1.697
  131    HA   TYR  20           HA       TYR  20   6.779   3.134   2.382
  132   1HB   TYR  20          HB1       TYR  20   4.886   1.755   4.320
  133   2HB   TYR  20          HB2       TYR  20   6.005   3.074   4.637
  134    HD1  TYR  20           HD1      TYR  20   2.979   2.941   5.246
  135    HD2  TYR  20           HD2      TYR  20   5.186   4.688   2.008
  136    HE1  TYR  20           HE1      TYR  20   1.087   4.479   4.757
  137    HE2  TYR  20           HE2      TYR  20   3.314   6.219   1.593
  138    HH   TYR  20           HH       TYR  20   0.639   6.122   1.921
  139    H    TYR  21           H        TYR  21   5.584  -0.048   2.092
  140    HA   TYR  21           HA       TYR  21   7.544  -1.435   3.664
  141   1HB   TYR  21          HB1       TYR  21   5.334  -2.251   2.289
  142   2HB   TYR  21          HB2       TYR  21   6.528  -2.654   1.057
  143    HD1  TYR  21           HD1      TYR  21   6.917  -5.028   1.198
  144    HD2  TYR  21           HD2      TYR  21   6.064  -2.757   4.746
  145    HE1  TYR  21           HE1      TYR  21   7.171  -7.068   2.584
  146    HE2  TYR  21           HE2      TYR  21   6.058  -4.841   6.061
  147    HH   TYR  21           HH       TYR  21   6.755  -6.978   6.095
  148    H    SER  22           H        SER  22   7.707  -0.282   0.236
  149    HA   SER  22           HA       SER  22   9.967  -1.670  -0.323
  150   1HB   SER  22          HB1       SER  22  10.267  -0.404  -2.246
  151   2HB   SER  22          HB2       SER  22   8.521  -0.411  -1.963
  152    HG   SER  22           HG       SER  22   9.506   1.800  -0.802
  153    H    ALA  23           H        ALA  23   9.555   1.435   1.159
  154    HA   ALA  23           HA       ALA  23  12.390   2.221   1.230
  155   1HB   ALA  23          HB1       ALA  23  11.279   4.170   1.561
  156   2HB   ALA  23          HB2       ALA  23   9.792   3.361   2.094
  157   3HB   ALA  23          HB3       ALA  23  11.107   3.632   3.239
  158    H    LEU  24           H        LEU  24  10.016   0.785   3.494
  159    HA   LEU  24           HA       LEU  24  11.863   0.335   5.503
  160   1HB   LEU  24          HB1       LEU  24   9.229  -0.750   4.736
  161   2HB   LEU  24          HB2       LEU  24  10.241  -1.972   5.549
  162    HG   LEU  24           HG       LEU  24   9.317   0.695   6.616
  163   1HD1  LEU  24          HD1       LEU  24   8.182  -0.688   8.211
  164   2HD1  LEU  24          HD1       LEU  24   8.030  -1.623   6.707
  165   3HD1  LEU  24          HD1       LEU  24   9.251  -2.070   7.902
  166   1HD2  LEU  24          HD2       LEU  24  10.600  -0.229   8.717
  167   2HD2  LEU  24          HD2       LEU  24  11.572  -1.072   7.475
  168   3HD2  LEU  24          HD2       LEU  24  11.482   0.710   7.502
  169    H    ARG  25           H        ARG  25  11.250  -1.717   2.675
  170    HA   ARG  25           HA       ARG  25  12.979  -3.841   3.430
  171   1HB   ARG  25          HB1       ARG  25  11.731  -4.281   1.511
  172   2HB   ARG  25          HB2       ARG  25  12.080  -2.751   0.744
  173   1HG   ARG  25          HG1       ARG  25  14.303  -3.358   0.195
  174   2HG   ARG  25          HG2       ARG  25  14.257  -4.779   1.258
  175   1HD   ARG  25          HD1       ARG  25  12.437  -5.709  -0.276
  176   2HD   ARG  25          HD2       ARG  25  12.781  -4.350  -1.368
  177    HE   ARG  25           HE       ARG  25  15.174  -5.819  -0.566
  178   1HH1  ARG  25          HH1       ARG  25  15.378  -7.873  -3.413
  179   2HH1  ARG  25          HH1       ARG  25  16.198  -7.287  -2.003
  180   1HH2  ARG  25          HH2       ARG  25  13.083  -7.152  -3.807
  181   2HH2  ARG  25          HH2       ARG  25  12.375  -6.083  -2.642
  182    H    HIS  26           H        HIS  26  13.684  -0.719   1.785
  183    HA   HIS  26           HA       HIS  26  16.433  -1.310   1.329
  184   1HB   HIS  26          HB1       HIS  26  15.122   0.563   0.204
  185   2HB   HIS  26          HB2       HIS  26  15.278   1.473   1.693
  186    HD1  HIS  26           HD1      HIS  26  17.923  -0.482  -0.420
  187    HD2  HIS  26           HD2      HIS  26  17.202   3.188   1.510
  188    HE1  HIS  26           HE1      HIS  26  19.999   0.955  -0.774
  189    H    TYR  27           H        TYR  27  14.791   0.535   3.875
  190    HA   TYR  27           HA       TYR  27  17.054   1.078   5.562
  191   1HB   TYR  27          HB1       TYR  27  14.095   1.081   5.974
  192   2HB   TYR  27          HB2       TYR  27  15.054   0.692   7.370
  193    HD1  TYR  27           HD1      TYR  27  14.116   3.357   5.149
  194    HD2  TYR  27           HD2      TYR  27  17.002   2.112   8.077
  195    HE1  TYR  27           HE1      TYR  27  14.569   5.736   5.709
  196    HE2  TYR  27           HE2      TYR  27  17.457   4.485   8.665
  197    HH   TYR  27           HH       TYR  27  16.027   6.826   8.459
  198    H    ILE  28           H        ILE  28  14.776  -1.597   5.992
  199    HA   ILE  28           HA       ILE  28  16.153  -2.884   7.927
  200    HB   ILE  28           HB       ILE  28  14.439  -4.042   5.760
  201   1HG1  ILE  28          1HG1      ILE  28  13.903  -3.659   8.724
  202   2HG1  ILE  28          2HG1      ILE  28  13.600  -2.364   7.579
  203   1HG2  ILE  28          1HG2      ILE  28  15.890  -5.884   6.668
  204   2HG2  ILE  28          2HG2      ILE  28  15.395  -5.432   8.299
  205   3HG2  ILE  28          3HG2      ILE  28  14.230  -6.081   7.151
  206   1HD1  ILE  28          1HD1      ILE  28  12.013  -3.718   6.351
  207   2HD1  ILE  28          2HD1      ILE  28  12.260  -5.079   7.462
  208   3HD1  ILE  28          3HD1      ILE  28  11.554  -3.580   8.054
  209    H    ASN  29           H        ASN  29  16.866  -2.843   4.481
  210    HA   ASN  29           HA       ASN  29  18.808  -4.953   4.488
  211   1HB   ASN  29          HB1       ASN  29  17.436  -3.433   2.488
  212   2HB   ASN  29          HB2       ASN  29  19.120  -3.119   2.244
  213   1HD2  ASN  29          HD2       ASN  29  19.025  -4.182   0.153
  214   2HD2  ASN  29          HD2       ASN  29  18.904  -5.942   0.071
  215    H    LEU  30           H        LEU  30  18.914  -1.422   4.781
  216    HA   LEU  30           HA       LEU  30  21.779  -1.250   4.571
  217   1HB   LEU  30          HB1       LEU  30  21.717   0.942   4.351
  218   2HB   LEU  30          HB2       LEU  30  20.124   0.492   3.741
  219    HG   LEU  30           HG       LEU  30  19.240   1.015   6.093
  220   1HD1  LEU  30          HD1       LEU  30  20.616   1.728   7.752
  221   2HD1  LEU  30          HD1       LEU  30  22.028   1.549   6.709
  222   3HD1  LEU  30          HD1       LEU  30  21.151   3.060   6.762
  223   1HD2  LEU  30          HD2       LEU  30  20.347   3.388   4.615
  224   2HD2  LEU  30          HD2       LEU  30  18.936   2.446   4.100
  225   3HD2  LEU  30          HD2       LEU  30  18.919   3.274   5.659
  226    H    ILE  31           H        ILE  31  19.414  -0.780   7.103
  227    HA   ILE  31           HA       ILE  31  20.963  -0.222   9.300
  228    HB   ILE  31           HB       ILE  31  18.343  -0.566   8.709
  229   1HG1  ILE  31          1HG1      ILE  31  19.511   0.684  10.646
  230   2HG1  ILE  31          2HG1      ILE  31  17.782   0.298  10.664
  231   1HG2  ILE  31          1HG2      ILE  31  17.297  -2.309  10.146
  232   2HG2  ILE  31          2HG2      ILE  31  18.220  -2.966   8.812
  233   3HG2  ILE  31          3HG2      ILE  31  18.875  -3.057  10.444
  234   1HD1  ILE  31          1HD1      ILE  31  19.099  -0.118  12.832
  235   2HD1  ILE  31          2HD1      ILE  31  18.023  -1.411  12.275
  236   3HD1  ILE  31          3HD1      ILE  31  19.769  -1.543  11.994
  237    H    THR  32           H        THR  32  19.970  -3.411   7.998
  238    HA   THR  32           HA       THR  32  21.544  -4.963   9.697
  239    HB   THR  32           HB       THR  32  19.846  -6.024   8.451
  240    HG1  THR  32           HG1      THR  32  21.143  -7.848   7.817
  241   1HG2  THR  32          1HG2      THR  32  21.581  -5.899   5.915
  242   2HG2  THR  32          2HG2      THR  32  19.930  -6.581   6.140
  243   3HG2  THR  32          3HG2      THR  32  20.199  -4.847   6.291
  244    H    ARG  33           H        ARG  33  22.380  -3.562   6.527
  245    HA   ARG  33           HA       ARG  33  24.729  -4.758   5.945
  246   1HB   ARG  33          HB1       ARG  33  23.468  -2.453   5.216
  247   2HB   ARG  33          HB2       ARG  33  25.017  -1.834   5.687
  248   1HG   ARG  33          HG1       ARG  33  25.492  -2.250   3.530
  249   2HG   ARG  33          HG2       ARG  33  25.792  -3.912   4.071
  250   1HD   ARG  33          HD1       ARG  33  23.698  -4.676   3.227
  251   2HD   ARG  33          HD2       ARG  33  22.930  -3.131   3.327
  252    HE   ARG  33           HE       ARG  33  24.484  -4.054   1.103
  253   1HH1  ARG  33          HH1       ARG  33  24.078  -0.997  -0.609
  254   2HH1  ARG  33          HH1       ARG  33  24.611  -2.642  -0.702
  255   1HH2  ARG  33          HH2       ARG  33  23.200  -0.176   1.485
  256   2HH2  ARG  33          HH2       ARG  33  23.219  -1.248   2.845
  257    H    GLN  34           H        GLN  34  24.356  -2.051   8.249
  258    HA   GLN  34           HA       GLN  34  27.050  -2.365   9.349
  259   1HB   GLN  34          HB1       GLN  34  24.729  -0.461   9.855
  260   2HB   GLN  34          HB2       GLN  34  26.120  -0.571  10.935
  261   1HG   GLN  34          HG1       GLN  34  27.360  -0.404   8.423
  262   2HG   GLN  34          HG2       GLN  34  25.947   0.630   8.223
  263   1HE2  GLN  34          1HE2      GLN  34  28.475  -0.119  10.731
  264   2HE2  GLN  34          2HE2      GLN  34  28.744   1.567  11.154
  265    H    ARG  35           H        ARG  35  23.747  -3.261  10.294
  266    HA   ARG  35           HA       ARG  35  24.608  -4.290  12.895
  267   1HB   ARG  35          HB1       ARG  35  21.893  -4.016  11.626
  268   2HB   ARG  35          HB2       ARG  35  22.213  -5.270  12.817
  269   1HG   ARG  35          HG1       ARG  35  21.270  -3.451  13.959
  270   2HG   ARG  35          HG2       ARG  35  22.962  -3.642  14.452
  271   1HD   ARG  35          HD1       ARG  35  23.271  -1.807  12.425
  272   2HD   ARG  35          HD2       ARG  35  21.657  -1.376  12.917
  273    HE   ARG  35           HE       ARG  35  24.141  -0.917  14.282
  274   1HH1  ARG  35          HH1       ARG  35  22.720   0.143  17.320
  275   2HH1  ARG  35          HH1       ARG  35  24.151   0.054  16.352
  276   1HH2  ARG  35          HH2       ARG  35  20.650  -0.826  16.412
  277   2HH2  ARG  35          HH2       ARG  35  20.760  -1.571  14.844
  278    H    TYR  36           H        TYR  36  22.648  -6.365  10.571
  279    HA   TYR  36           HA       TYR  36  24.507  -8.528  11.241
  280   1HB   TYR  36          HB1       TYR  36  22.233  -9.654  10.906
  281   2HB   TYR  36          HB2       TYR  36  22.715  -9.010  12.478
  282    HD1  TYR  36           HD1      TYR  36  20.328  -8.847   9.653
  283    HD2  TYR  36           HD2      TYR  36  21.360  -7.310  13.540
  284    HE1  TYR  36           HE1      TYR  36  18.268  -7.435   9.656
  285    HE2  TYR  36           HE2      TYR  36  19.344  -5.869  13.497
  286    HH   TYR  36           HH       TYR  36  17.119  -5.639  12.384
  287   1HN   NH2  37          HN1       NH2 237  24.837  -6.711   8.996
  288   2HN   NH2  37          HN2       NH2 237  24.551  -7.663   7.589
  Start of MODEL   17
    1   1H    TYR   1          HN1       TYR   1  -3.879  12.052 -20.947
    2   2H    TYR   1          HN2       TYR   1  -2.989  11.792 -19.567
    3   3H    TYR   1          HN3       TYR   1  -3.350  10.515 -20.645
    4    HA   TYR   1           HA       TYR   1  -4.729  11.308 -18.380
    5   1HB   TYR   1          HB1       TYR   1  -6.085  12.078 -20.990
    6   2HB   TYR   1          HB2       TYR   1  -6.790  11.919 -19.402
    7    HD1  TYR   1           HD1      TYR   1  -5.297  14.130 -21.776
    8    HD2  TYR   1           HD2      TYR   1  -5.532  13.494 -17.513
    9    HE1  TYR   1           HE1      TYR   1  -4.557  16.431 -21.379
   10    HE2  TYR   1           HE2      TYR   1  -4.891  15.803 -17.131
   11    HH   TYR   1           HH       TYR   1  -4.820  17.897 -18.215
   12    HA   PRO   2           HA       PRO   2  -5.357   7.169 -20.467
   13   1HB   PRO   2          HB1       PRO   2  -4.198   5.602 -18.461
   14   2HB   PRO   2          HB2       PRO   2  -3.386   6.203 -19.930
   15   1HG   PRO   2          HG1       PRO   2  -3.130   7.177 -17.119
   16   2HG   PRO   2          HG2       PRO   2  -1.984   7.327 -18.515
   17   1HD   PRO   2          HD1       PRO   2  -3.823   9.258 -17.374
   18   2HD   PRO   2          HD2       PRO   2  -2.779   9.421 -18.850
   19    H    SER   3           H        SER   3  -5.318   7.384 -16.772
   20    HA   SER   3           HA       SER   3  -8.134   6.626 -16.965
   21   1HB   SER   3          HB1       SER   3  -7.661   5.488 -14.613
   22   2HB   SER   3          HB2       SER   3  -7.023   4.633 -16.060
   23    HG   SER   3           HG       SER   3  -5.628   6.205 -14.120
   24    H    LYS   4           H        LYS   4  -9.246   7.056 -14.693
   25    HA   LYS   4           HA       LYS   4  -9.423   9.764 -14.482
   26   1HB   LYS   4          HB1       LYS   4 -10.264   7.475 -12.839
   27   2HB   LYS   4          HB2       LYS   4  -9.856   8.814 -11.797
   28   1HG   LYS   4          HG1       LYS   4 -12.021   9.373 -12.269
   29   2HG   LYS   4          HG2       LYS   4 -11.270  10.348 -13.458
   30   1HD   LYS   4          HD1       LYS   4 -12.137   9.224 -15.194
   31   2HD   LYS   4          HD2       LYS   4 -11.709   7.634 -14.494
   32   1HE   LYS   4          HE1       LYS   4 -13.836   8.240 -12.848
   33   2HE   LYS   4          HE2       LYS   4 -14.289   9.216 -14.239
   34   1HZ   LYS   4          HZ1       LYS   4 -13.522   6.711 -15.139
   35   2HZ   LYS   4          HZ2       LYS   4 -14.389   6.409 -13.791
   36   3HZ   LYS   4          HZ3       LYS   4 -15.050   7.281 -15.022
   37    HA   PRO   5           HA       PRO   5  -5.877  11.346 -12.548
   38   1HB   PRO   5          HB1       PRO   5  -6.914  13.543 -11.140
   39   2HB   PRO   5          HB2       PRO   5  -6.580  13.453 -12.892
   40   1HG   PRO   5          HG1       PRO   5  -9.190  13.450 -11.504
   41   2HG   PRO   5          HG2       PRO   5  -8.805  13.854 -13.214
   42   1HD   PRO   5          HD1       PRO   5  -9.853  11.436 -12.145
   43   2HD   PRO   5          HD2       PRO   5  -9.376  11.821 -13.849
   44    H    ASP   6           H        ASP   6  -4.860  10.336 -10.933
   45    HA   ASP   6           HA       ASP   6  -6.155   9.439  -8.521
   46   1HB   ASP   6          HB1       ASP   6  -3.185   9.438  -9.355
   47   2HB   ASP   6          HB2       ASP   6  -3.891   8.708  -7.858
   48    H    ASN   7           H        ASN   7  -5.745  10.069  -6.447
   49    HA   ASN   7           HA       ASN   7  -4.911  12.911  -6.258
   50   1HB   ASN   7          HB1       ASN   7  -7.046  11.608  -5.143
   51   2HB   ASN   7          HB2       ASN   7  -5.917  11.693  -3.801
   52   1HD2  ASN   7          HD2       ASN   7  -7.622  13.545  -6.340
   53   2HD2  ASN   7          HD2       ASN   7  -7.525  15.105  -5.511
   54    HA   PRO   8           HA       PRO   8  -1.194  11.460  -4.251
   55   1HB   PRO   8          HB1       PRO   8  -0.425  13.877  -3.001
   56   2HB   PRO   8          HB2       PRO   8  -0.112  13.419  -4.721
   57   1HG   PRO   8          HG1       PRO   8  -2.048  15.164  -3.517
   58   2HG   PRO   8          HG2       PRO   8  -1.398  15.283  -5.230
   59   1HD   PRO   8          HD1       PRO   8  -3.836  14.432  -4.294
   60   2HD   PRO   8          HD2       PRO   8  -3.242  14.179  -5.965
   61    H    GLY   9           H        GLY   9  -1.100  10.255  -2.438
   62   1HA   GLY   9          HA1       GLY   9  -0.975  10.643   0.071
   63   2HA   GLY   9          HA2       GLY   9  -2.728  11.015  -0.044
   64    H    GLU  10           H        GLU  10  -4.078   9.267  -1.274
   65    HA   GLU  10           HA       GLU  10  -3.035   6.540  -0.462
   66   1HB   GLU  10          HB1       GLU  10  -4.760   7.304   1.105
   67   2HB   GLU  10          HB2       GLU  10  -5.862   7.630  -0.274
   68   1HG   GLU  10          HG1       GLU  10  -5.461   5.114  -0.934
   69   2HG   GLU  10          HG2       GLU  10  -4.730   4.970   0.706
   70    H    ASP  11           H        ASP  11  -2.377   5.778  -2.290
   71    HA   ASP  11           HA       ASP  11  -3.717   6.307  -4.844
   72   1HB   ASP  11          HB1       ASP  11  -1.572   4.318  -3.991
   73   2HB   ASP  11          HB2       ASP  11  -2.323   4.417  -5.594
   74    H    ALA  12           H        ALA  12  -3.169   3.262  -3.010
   75    HA   ALA  12           HA       ALA  12  -5.947   2.459  -3.717
   76   1HB   ALA  12          HB1       ALA  12  -4.679   0.051  -3.964
   77   2HB   ALA  12          HB2       ALA  12  -5.014   1.148  -5.326
   78   3HB   ALA  12          HB3       ALA  12  -3.409   1.126  -4.561
   79    HA   PRO  13           HA       PRO  13  -5.981   1.268   0.484
   80   1HB   PRO  13          HB1       PRO  13  -7.899  -0.803   0.386
   81   2HB   PRO  13          HB2       PRO  13  -8.218   0.962   0.443
   82   1HG   PRO  13          HG1       PRO  13  -8.470  -0.963  -1.820
   83   2HG   PRO  13          HG2       PRO  13  -9.237   0.652  -1.610
   84   1HD   PRO  13          HD1       PRO  13  -6.972  -0.058  -3.198
   85   2HD   PRO  13          HD2       PRO  13  -7.681   1.569  -2.869
   86    H    ALA  14           H        ALA  14  -4.867  -0.097   1.736
   87    HA   ALA  14           HA       ALA  14  -3.705  -1.937   2.534
   88   1HB   ALA  14          HB1       ALA  14  -4.095  -3.903   0.393
   89   2HB   ALA  14          HB2       ALA  14  -4.606  -3.962   2.099
   90   3HB   ALA  14          HB3       ALA  14  -5.629  -3.196   0.867
   91    H    GLU  15           H        GLU  15  -3.488  -2.178  -1.024
   92    HA   GLU  15           HA       GLU  15  -0.888  -2.839  -1.319
   93   1HB   GLU  15          HB1       GLU  15  -2.715  -2.373  -3.126
   94   2HB   GLU  15          HB2       GLU  15  -2.082  -0.713  -3.097
   95   1HG   GLU  15          HG1       GLU  15   0.274  -2.159  -3.287
   96   2HG   GLU  15          HG2       GLU  15  -0.881  -3.285  -4.080
   97    H    ASP  16           H        ASP  16  -2.203   0.303  -0.435
   98    HA   ASP  16           HA       ASP  16  -0.001   1.896  -0.813
   99   1HB   ASP  16          HB1       ASP  16  -2.548   2.132   0.551
  100   2HB   ASP  16          HB2       ASP  16  -1.385   2.403   1.832
  101    H    LEU  17           H        LEU  17  -0.849  -0.078   1.990
  102    HA   LEU  17           HA       LEU  17   1.401   0.617   3.648
  103   1HB   LEU  17          HB1       LEU  17   0.463  -0.796   5.124
  104   2HB   LEU  17          HB2       LEU  17  -0.877  -0.898   3.979
  105    HG   LEU  17           HG       LEU  17   0.680  -2.962   2.976
  106   1HD1  LEU  17          HD1       LEU  17   1.118  -3.041   5.940
  107   2HD1  LEU  17          HD1       LEU  17   1.672  -4.045   4.548
  108   3HD1  LEU  17          HD1       LEU  17   2.413  -2.441   4.856
  109   1HD2  LEU  17          HD2       LEU  17  -1.593  -3.142   3.459
  110   2HD2  LEU  17          HD2       LEU  17  -0.520  -4.392   4.084
  111   3HD2  LEU  17          HD2       LEU  17  -1.258  -3.168   5.215
  112    H    ALA  18           H        ALA  18   0.974  -1.647   0.972
  113    HA   ALA  18           HA       ALA  18   3.482  -3.043   1.321
  114   1HB   ALA  18          HB1       ALA  18   2.005  -2.764  -1.330
  115   2HB   ALA  18          HB2       ALA  18   2.966  -4.113  -0.731
  116   3HB   ALA  18          HB3       ALA  18   1.362  -3.785  -0.024
  117    H    ARG  19           H        ARG  19   2.575   0.065   0.148
  118    HA   ARG  19           HA       ARG  19   4.798   0.461  -1.586
  119   1HB   ARG  19          HB1       ARG  19   2.416   1.835  -1.197
  120   2HB   ARG  19          HB2       ARG  19   3.497   2.837  -0.238
  121   1HG   ARG  19          HG1       ARG  19   4.759   2.177  -2.787
  122   2HG   ARG  19          HG2       ARG  19   3.081   2.625  -3.061
  123   1HD   ARG  19          HD1       ARG  19   4.549   4.580  -3.207
  124   2HD   ARG  19          HD2       ARG  19   3.476   4.701  -1.800
  125    HE   ARG  19           HE       ARG  19   5.242   4.514  -0.350
  126   1HH1  ARG  19          HH1       ARG  19   8.660   3.850  -0.949
  127   2HH1  ARG  19          HH1       ARG  19   7.536   4.400   0.236
  128   1HH2  ARG  19          HH2       ARG  19   7.953   3.359  -3.220
  129   2HH2  ARG  19          HH2       ARG  19   6.286   3.556  -3.576
  130    H    TYR  20           H        TYR  20   4.004   1.259   1.753
  131    HA   TYR  20           HA       TYR  20   6.444   2.687   2.397
  132   1HB   TYR  20          HB1       TYR  20   4.638   1.083   4.251
  133   2HB   TYR  20          HB2       TYR  20   5.565   2.532   4.665
  134    HD1  TYR  20           HD1      TYR  20   4.628   3.969   1.859
  135    HD2  TYR  20           HD2      TYR  20   2.707   2.208   5.335
  136    HE1  TYR  20           HE1      TYR  20   2.665   5.332   1.466
  137    HE2  TYR  20           HE2      TYR  20   0.744   3.632   4.919
  138    HH   TYR  20           HH       TYR  20  -0.193   4.986   2.367
  139    H    TYR  21           H        TYR  21   5.699  -0.624   1.979
  140    HA   TYR  21           HA       TYR  21   7.652  -1.774   3.743
  141   1HB   TYR  21          HB1       TYR  21   5.560  -2.639   2.107
  142   2HB   TYR  21          HB2       TYR  21   6.919  -3.084   1.092
  143    HD1  TYR  21           HD1      TYR  21   8.871  -4.412   2.358
  144    HD2  TYR  21           HD2      TYR  21   4.724  -4.095   3.641
  145    HE1  TYR  21           HE1      TYR  21   9.096  -6.499   3.697
  146    HE2  TYR  21           HE2      TYR  21   4.986  -6.318   4.772
  147    HH   TYR  21           HH       TYR  21   7.253  -7.464   6.089
  148    H    SER  22           H        SER  22   7.739  -0.701   0.274
  149    HA   SER  22           HA       SER  22  10.142  -1.800  -0.345
  150   1HB   SER  22          HB1       SER  22  10.233  -0.221  -2.208
  151   2HB   SER  22          HB2       SER  22   8.546  -0.704  -1.971
  152    HG   SER  22           HG       SER  22   9.642   1.714  -1.902
  153    H    ALA  23           H        ALA  23   9.369   1.327   1.057
  154    HA   ALA  23           HA       ALA  23  12.111   2.340   1.213
  155   1HB   ALA  23          HB1       ALA  23  10.529   4.031   1.340
  156   2HB   ALA  23          HB2       ALA  23   9.441   3.071   2.395
  157   3HB   ALA  23          HB3       ALA  23  10.919   3.788   3.063
  158    H    LEU  24           H        LEU  24   9.969   0.447   3.314
  159    HA   LEU  24           HA       LEU  24  11.758   0.531   5.516
  160   1HB   LEU  24          HB1       LEU  24   9.200  -0.778   4.839
  161   2HB   LEU  24          HB2       LEU  24  10.277  -1.995   5.531
  162    HG   LEU  24           HG       LEU  24   9.132   0.582   6.706
  163   1HD1  LEU  24          HD1       LEU  24   9.323  -1.738   8.340
  164   2HD1  LEU  24          HD1       LEU  24   7.873  -0.828   7.879
  165   3HD1  LEU  24          HD1       LEU  24   8.478  -2.167   6.867
  166   1HD2  LEU  24          HD2       LEU  24  11.737  -0.778   7.352
  167   2HD2  LEU  24          HD2       LEU  24  11.189   0.871   7.671
  168   3HD2  LEU  24          HD2       LEU  24  10.750  -0.399   8.769
  169    H    ARG  25           H        ARG  25  11.507  -1.512   2.662
  170    HA   ARG  25           HA       ARG  25  13.341  -3.497   3.556
  171   1HB   ARG  25          HB1       ARG  25  12.165  -4.113   1.637
  172   2HB   ARG  25          HB2       ARG  25  12.361  -2.584   0.841
  173   1HG   ARG  25          HG1       ARG  25  14.517  -2.895   0.125
  174   2HG   ARG  25          HG2       ARG  25  14.923  -4.129   1.302
  175   1HD   ARG  25          HD1       ARG  25  13.704  -5.838   0.330
  176   2HD   ARG  25          HD2       ARG  25  12.854  -4.746  -0.726
  177    HE   ARG  25           HE       ARG  25  15.797  -4.667  -1.075
  178   1HH1  ARG  25          HH1       ARG  25  15.616  -6.025  -4.317
  179   2HH1  ARG  25          HH1       ARG  25  16.637  -5.203  -3.197
  180   1HH2  ARG  25          HH2       ARG  25  13.404  -6.589  -3.757
  181   2HH2  ARG  25          HH2       ARG  25  12.767  -6.072  -2.260
  182    H    HIS  26           H        HIS  26  13.796  -0.519   1.593
  183    HA   HIS  26           HA       HIS  26  16.576  -0.795   1.105
  184   1HB   HIS  26          HB1       HIS  26  14.961   1.071   0.295
  185   2HB   HIS  26          HB2       HIS  26  15.146   1.820   1.906
  186    HD1  HIS  26           HD1      HIS  26  17.772   0.205  -0.589
  187    HD2  HIS  26           HD2      HIS  26  16.785   3.749   1.477
  188    HE1  HIS  26           HE1      HIS  26  19.623   1.916  -1.049
  189    H    TYR  27           H        TYR  27  14.890   0.555   3.922
  190    HA   TYR  27           HA       TYR  27  17.265   1.176   5.350
  191   1HB   TYR  27          HB1       TYR  27  14.365   1.085   5.840
  192   2HB   TYR  27          HB2       TYR  27  15.321   0.788   7.310
  193    HD1  TYR  27           HD1      TYR  27  17.743   2.582   6.783
  194    HD2  TYR  27           HD2      TYR  27  13.450   3.165   6.368
  195    HE1  TYR  27           HE1      TYR  27  18.032   4.928   7.226
  196    HE2  TYR  27           HE2      TYR  27  13.798   5.567   6.821
  197    HH   TYR  27           HH       TYR  27  16.972   7.024   7.303
  198    H    ILE  28           H        ILE  28  14.791  -1.231   6.207
  199    HA   ILE  28           HA       ILE  28  16.316  -2.685   8.026
  200    HB   ILE  28           HB       ILE  28  14.343  -3.691   6.015
  201   1HG1  ILE  28          1HG1      ILE  28  14.110  -2.831   8.994
  202   2HG1  ILE  28          2HG1      ILE  28  13.498  -1.961   7.600
  203   1HG2  ILE  28          1HG2      ILE  28  16.013  -5.299   7.907
  204   2HG2  ILE  28          2HG2      ILE  28  14.425  -5.177   8.400
  205   3HG2  ILE  28          3HG2      ILE  28  14.736  -5.806   6.750
  206   1HD1  ILE  28          1HD1      ILE  28  11.590  -3.079   8.377
  207   2HD1  ILE  28          2HD1      ILE  28  12.145  -4.105   7.031
  208   3HD1  ILE  28          3HD1      ILE  28  12.448  -4.569   8.722
  209    H    ASN  29           H        ASN  29  16.729  -2.607   4.547
  210    HA   ASN  29           HA       ASN  29  18.401  -4.976   4.248
  211   1HB   ASN  29          HB1       ASN  29  17.371  -4.080   2.275
  212   2HB   ASN  29          HB2       ASN  29  17.985  -2.460   2.614
  213   1HD2  ASN  29          HD2       ASN  29  19.140  -5.699   1.996
  214   2HD2  ASN  29          HD2       ASN  29  20.598  -5.182   1.127
  215    H    LEU  30           H        LEU  30  19.052  -1.449   4.410
  216    HA   LEU  30           HA       LEU  30  21.897  -1.929   4.730
  217   1HB   LEU  30          HB1       LEU  30  22.231   0.431   4.783
  218   2HB   LEU  30          HB2       LEU  30  21.206  -0.108   3.443
  219    HG   LEU  30           HG       LEU  30  19.287   0.476   5.050
  220   1HD1  LEU  30          HD1       LEU  30  21.594   1.688   6.489
  221   2HD1  LEU  30          HD1       LEU  30  20.122   2.712   6.332
  222   3HD1  LEU  30          HD1       LEU  30  20.021   1.136   7.024
  223   1HD2  LEU  30          HD2       LEU  30  20.443   2.991   4.072
  224   2HD2  LEU  30          HD2       LEU  30  20.106   1.713   2.875
  225   3HD2  LEU  30          HD2       LEU  30  18.799   2.311   3.895
  226    H    ILE  31           H        ILE  31  19.417  -0.779   6.960
  227    HA   ILE  31           HA       ILE  31  20.902  -0.442   9.162
  228    HB   ILE  31           HB       ILE  31  18.047  -0.896   8.418
  229   1HG1  ILE  31          1HG1      ILE  31  17.607   0.291  10.381
  230   2HG1  ILE  31          2HG1      ILE  31  19.286   0.084  10.888
  231   1HG2  ILE  31          1HG2      ILE  31  18.121  -3.006   9.220
  232   2HG2  ILE  31          2HG2      ILE  31  18.916  -2.572  10.772
  233   3HG2  ILE  31          3HG2      ILE  31  17.310  -1.928  10.389
  234   1HD1  ILE  31          1HD1      ILE  31  20.017   1.607   9.130
  235   2HD1  ILE  31          2HD1      ILE  31  18.389   1.439   8.394
  236   3HD1  ILE  31          3HD1      ILE  31  18.625   2.376   9.855
  237    H    THR  32           H        THR  32  19.969  -3.562   7.608
  238    HA   THR  32           HA       THR  32  21.011  -5.058   9.842
  239    HB   THR  32           HB       THR  32  20.551  -7.004   8.097
  240    HG1  THR  32           HG1      THR  32  19.388  -5.189   6.591
  241   1HG2  THR  32          1HG2      THR  32  18.771  -6.704   9.646
  242   2HG2  THR  32          2HG2      THR  32  18.467  -5.076   9.111
  243   3HG2  THR  32          3HG2      THR  32  18.073  -6.451   8.040
  244    H    ARG  33           H        ARG  33  22.012  -4.363   6.410
  245    HA   ARG  33           HA       ARG  33  24.308  -5.707   6.182
  246   1HB   ARG  33          HB1       ARG  33  23.278  -3.430   5.052
  247   2HB   ARG  33          HB2       ARG  33  24.892  -2.932   5.535
  248   1HG   ARG  33          HG1       ARG  33  25.124  -3.771   3.336
  249   2HG   ARG  33          HG2       ARG  33  25.632  -5.129   4.367
  250   1HD   ARG  33          HD1       ARG  33  23.084  -5.860   4.226
  251   2HD   ARG  33          HD2       ARG  33  22.947  -4.735   2.910
  252    HE   ARG  33           HE       ARG  33  24.353  -7.321   3.046
  253   1HH1  ARG  33          HH1       ARG  33  25.502  -7.151  -0.317
  254   2HH1  ARG  33          HH1       ARG  33  25.301  -8.165   1.067
  255   1HH2  ARG  33          HH2       ARG  33  24.812  -4.845  -0.194
  256   2HH2  ARG  33          HH2       ARG  33  24.135  -4.275   1.293
  257    H    GLN  34           H        GLN  34  24.005  -2.779   8.124
  258    HA   GLN  34           HA       GLN  34  26.755  -2.923   9.059
  259   1HB   GLN  34          HB1       GLN  34  25.642  -0.783   8.631
  260   2HB   GLN  34          HB2       GLN  34  24.474  -1.100   9.940
  261   1HG   GLN  34          HG1       GLN  34  26.020  -0.704  11.604
  262   2HG   GLN  34          HG2       GLN  34  27.340  -1.455  10.687
  263   1HE2  GLN  34          1HE2      GLN  34  28.942   0.000  10.604
  264   2HE2  GLN  34          2HE2      GLN  34  28.755   1.654  10.044
  265    H    ARG  35           H        ARG  35  23.504  -3.627  10.278
  266    HA   ARG  35           HA       ARG  35  24.538  -4.509  12.943
  267   1HB   ARG  35          HB1       ARG  35  21.748  -4.150  11.840
  268   2HB   ARG  35          HB2       ARG  35  22.074  -4.946  13.363
  269   1HG   ARG  35          HG1       ARG  35  22.226  -3.078  14.447
  270   2HG   ARG  35          HG2       ARG  35  23.617  -2.535  13.479
  271   1HD   ARG  35          HD1       ARG  35  22.367  -1.343  12.005
  272   2HD   ARG  35          HD2       ARG  35  20.804  -2.164  12.425
  273    HE   ARG  35           HE       ARG  35  21.333  -1.082  14.736
  274   1HH1  ARG  35          HH1       ARG  35  20.427   2.328  14.309
  275   2HH1  ARG  35          HH1       ARG  35  20.702   1.041  15.433
  276   1HH2  ARG  35          HH2       ARG  35  20.808   1.902  11.968
  277   2HH2  ARG  35          HH2       ARG  35  21.325   0.312  11.500
  278    H    TYR  36           H        TYR  36  22.000  -6.055  11.201
  279    HA   TYR  36           HA       TYR  36  21.479  -8.356  11.705
  280   1HB   TYR  36          HB1       TYR  36  22.021  -7.304   9.367
  281   2HB   TYR  36          HB2       TYR  36  23.513  -8.265   9.280
  282    HD1  TYR  36           HD1      TYR  36  19.745  -8.569  10.346
  283    HD2  TYR  36           HD2      TYR  36  22.858  -9.920   7.656
  284    HE1  TYR  36           HE1      TYR  36  18.191 -10.142   9.417
  285    HE2  TYR  36           HE2      TYR  36  21.251 -11.521   6.673
  286    HH   TYR  36           HH       TYR  36  17.844 -11.424   7.361
  287   1HN   NH2  37          HN1       NH2 237  22.431  -9.101  13.546
  288   2HN   NH2  37          HN2       NH2 237  24.035  -9.922  13.532