*HEADER    METAL BINDING PROTEIN                   31-JUL-10   2L1O              
*TITLE     ZINC TO CADMIUM REPLACEMENT IN THE A. THALIANA SUPERMAN CYS2HIS2 ZINC 
*TITLE    2 FINGER INDUCES STRUCTURAL REARRANGEMENTS OF TYPICAL DNA BASE         
*TITLE    3 DETERMINANT POSITIONS                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSCRIPTIONAL REGULATOR SUPERMAN;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CYS2HIS2 ZINC FINGER;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   4 ORGANISM_COMMON: MOUSE-EAR CRESS,THALE-CRESS;                        
*SOURCE   5 ORGANISM_TAXID: 3702                                                 
*KEYWDS    ZINC FINGER DOMAIN, CADMIUM, SUPERMAN PROTEIN, METAL BINDING PROTEIN  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.MALGIERI, L.ZACCARO, M.LEONE, E.BUCCI, S.ESPOSITO, I.BAGLIVO, A.DEL 
*AUTHOR   2 GATTO, R.SCANDURRA, P.V.PEDONE, R.FATTORUSSO, C.ISERNIA              
*REVDAT   1   08-JUN-11 2L1O    0                                                


  2 PRO  QG      6 TYR  HA      6.38 
  5 SER  HA     16 ARG+ HA      2.40 
  6 TYR  HB2    21 LEU  HB2     5.50 
  6 TYR  HB2    21 LEU  HB3     5.50 
  6 TYR  HB2    21 LEU  QD1     9.67 
  6 TYR  HB3    21 LEU  HB2     5.50 
  6 TYR  HB3    21 LEU  HB3     5.50 
  6 TYR  HB3    21 LEU  QD1     9.67 
  6 TYR  QD     18 ALA  QB      8.67 
  6 TYR  QE     15 PHE  QD      9.48 
  7 THR  HA     14 GLU- HA      2.62 
  7 THR  QG2    12 LYS+ HA      5.10 
  7 THR  QG2    12 LYS+ HB3     6.53 
  7 THR  QG2    12 LYS+ HB2     6.53 
  7 THR  QG2    13 ARG+ QD      7.06 
  8 CYS- HB2    15 PHE  QD      7.62 
  8 CYS- HB2    15 PHE  QE      7.62 
  8 CYS- HB3    15 PHE  QE      7.62 
  9 SER  HA      9 SER  HB2     2.55 
  9 SER  HA      9 SER  HB3     2.55 
  9 SER  HA     12 LYS+ HB2     4.42 
 10 PHE  HA     10 PHE  HB2     2.93 
 10 PHE  HA     10 PHE  HB3     2.93 
 10 PHE  QE     25 MET  QE      8.65 
 11 CYS- HA     11 CYS- HB2     2.62 
 11 CYS- HA     11 CYS- HB3     2.62 
 12 LYS+ HA     12 LYS+ HB3     2.59 
 12 LYS+ HA     12 LYS+ HB2     2.62 
 12 LYS+ HB3    12 LYS+ QE      6.22 
 13 ARG+ HA     14 GLU- QG      6.38 
 15 PHE  HN     15 PHE  QD      4.58 
 15 PHE  QD     20 ALA  QB      6.11 
 15 PHE  QD     21 LEU  HA      7.62 
 16 ARG+ HA     16 ARG+ QD      6.38 
 17 SER  HA     17 SER  HB2     3.05 
 17 SER  HA     17 SER  HB3     3.05 
 18 ALA  HA     21 LEU  HB2     4.76 
 18 ALA  HA     21 LEU  HB3     4.76 
 21 LEU  HA     21 LEU  QD1     6.53 
 21 LEU  HA     21 LEU  QD2     6.53 
 21 LEU  HA     24 HIS  HB3     4.14 
 21 LEU  HA     24 HIS  HD2     5.50 
 22 GLY  HA1    25 MET  HB2     5.98 
 22 GLY  HA1    25 MET  HB3     5.98 
 24 HIS  HA     27 VAL  HB      3.39 
 25 MET  HA     25 MET  QE      6.53 
 25 MET  HA     28 HIS  HD2     2.40 
 25 MET  QE     28 HIS  HD2     4.61 
 27 VAL  HA     27 VAL  HB      2.49 
 30 ARG+ HA     32 ARG+ QG      6.38 
 33 ALA  QB     35 LEU  HA      5.94 
 34 ARG+ HA     34 ARG+ QD      5.17 
 34 ARG+ QD     35 LEU  HG      4.67 
 35 LEU  HA     36 ARG+ QG      5.85 
  1 TRP  HN      2 PRO  QG      5.60 
  4 ARG+ HN      4 ARG+ QG      6.38 
  4 ARG+ HN      4 ARG+ QD      6.38 
  4 ARG+ HA      5 SER  HN      3.17 
  4 ARG+ QD      5 SER  HN      6.38 
  5 SER  HA      6 TYR  HN      2.93 
  6 TYR  HN      7 THR  HN      4.60 
  6 TYR  HN     15 PHE  HN      2.59 
  6 TYR  HA      7 THR  HN      2.80 
  6 TYR  HB2    15 PHE  HN      5.50 
  6 TYR  HB3    15 PHE  HN      5.50 
  6 TYR  QD     17 SER  HA      7.64 
  6 TYR  QD     18 ALA  HA      7.64 
  6 TYR  QD     21 LEU  HB2     7.64 
  6 TYR  QD     21 LEU  HB3     7.64 
  6 TYR  QD     21 LEU  HG      7.64 
  6 TYR  QE     17 SER  HA      7.63 
  6 TYR  QE     18 ALA  HA      7.63 
  6 TYR  QE     18 ALA  QB      8.23 
  7 THR  HN      7 THR  HB      3.86 
  7 THR  HA      8 CYS- HN      2.52 
  7 THR  HA     15 PHE  HN      4.66 
  7 THR  HA     15 PHE  QD      7.62 
  7 THR  HB      8 CYS- HN      4.17 
  7 THR  QG2     8 CYS- HN      4.57 
  7 THR  QG2    12 LYS+ HN      6.53 
  8 CYS- HN      8 CYS- HB2     2.96 
  8 CYS- HN      8 CYS- HB3     2.96 
  8 CYS- HN      9 SER  HA      4.72 
  8 CYS- HN     10 PHE  HN      4.01 
  8 CYS- HN     12 LYS+ HN      4.72 
  8 CYS- HN     12 LYS+ HA      4.66 
  8 CYS- HN     13 ARG+ HN      4.48 
  8 CYS- HN     14 GLU- HA      4.76 
  8 CYS- HN     15 PHE  QE      7.62 
  8 CYS- HA      9 SER  HN      3.42 
  8 CYS- HA     10 PHE  HN      5.04 
  8 CYS- HB2    12 LYS+ HN      4.35 
  8 CYS- HB2    13 ARG+ HN      5.22 
  8 CYS- HB2    24 HIS  HD2     5.50 
  8 CYS- HB2    28 HIS  HD2     5.50 
  8 CYS- HB3    12 LYS+ HN      4.35 
  8 CYS- HB3    13 ARG+ HN      5.22 
  8 CYS- HB3    15 PHE  QD      7.62 
  8 CYS- HB3    24 HIS  HD2     5.50 
  8 CYS- HB3    28 HIS  HD2     5.50 
  9 SER  HN     11 CYS- HN      3.83 
  9 SER  HB2    10 PHE  HN      3.95 
  9 SER  HB3    10 PHE  HN      3.95 
 10 PHE  HN     10 PHE  HB2     3.73 
 10 PHE  HN     10 PHE  HB3     3.73 
 10 PHE  HN     11 CYS- HN      3.39 
 10 PHE  HN     12 LYS+ HN      4.66 
 10 PHE  HN     25 MET  QE      6.53 
 10 PHE  HN     28 HIS  HE1     5.50 
 10 PHE  HB2    11 CYS- HN      4.07 
 10 PHE  HB3    11 CYS- HN      4.07 
 10 PHE  QD     25 MET  QE      8.65 
 11 CYS- HN     12 LYS+ HN      2.40 
 11 CYS- HN     28 HIS  HE1     5.50 
 11 CYS- HB2    28 HIS  HE1     5.50 
 11 CYS- HB3    28 HIS  HE1     5.50 
 12 LYS+ HN     12 LYS+ HA      2.40 
 12 LYS+ HN     12 LYS+ HB3     3.42 
 12 LYS+ HN     12 LYS+ HB2     3.83 
 12 LYS+ HN     12 LYS+ HG2     5.50 
 12 LYS+ HN     12 LYS+ HG3     5.50 
 12 LYS+ HN     12 LYS+ HD2     5.50 
 12 LYS+ HN     12 LYS+ HD3     5.50 
 12 LYS+ HN     12 LYS+ QE      6.10 
 12 LYS+ HA     13 ARG+ HN      3.52 
 13 ARG+ HA     14 GLU- HN      2.40 
 13 ARG+ HB2    24 HIS  HE1     5.50 
 13 ARG+ HB3    24 HIS  HE1     5.50 
 13 ARG+ HE     24 HIS  HE1     5.50 
 14 GLU- HN     14 GLU- HB2     3.58 
 14 GLU- HN     14 GLU- HB3     3.58 
 14 GLU- HN     14 GLU- QG      6.38 
 14 GLU- HA     15 PHE  HN      2.68 
 14 GLU- HA     15 PHE  QD      7.25 
 14 GLU- QG     15 PHE  HN      6.38 
 15 PHE  HA     16 ARG+ HN      2.62 
 15 PHE  HB2    21 LEU  HN      5.50 
 15 PHE  HB3    21 LEU  HN      5.50 
 15 PHE  QD     17 SER  HN      5.64 
 15 PHE  QD     20 ALA  HA      7.62 
 15 PHE  QD     21 LEU  QD1     8.65 
 15 PHE  QD     21 LEU  QD2     8.65 
 15 PHE  QE     20 ALA  HA      7.62 
 15 PHE  QE     20 ALA  QB      7.87 
 15 PHE  QE     21 LEU  HA      7.62 
 15 PHE  QE     24 HIS  HB3     7.25 
 15 PHE  HZ     21 LEU  HA      5.50 
 15 PHE  HZ     24 HIS  HB2     5.50 
 15 PHE  HZ     24 HIS  HB3     5.28 
 15 PHE  HZ     24 HIS  HD2     5.50 
 15 PHE  HZ     24 HIS  HE1     4.11 
 16 ARG+ HN     16 ARG+ QG      6.07 
 16 ARG+ HN     17 SER  HN      2.93 
 17 SER  HN     21 LEU  HG      4.69 
 17 SER  HA     18 ALA  HN      2.74 
 17 SER  HB2    18 ALA  HN      3.42 
 17 SER  HB3    18 ALA  HN      3.42 
 18 ALA  HN     18 ALA  QB      3.43 
 18 ALA  HN     19 GLN  HN      3.08 
 18 ALA  HN     20 ALA  HN      4.20 
 18 ALA  HA     21 LEU  HN      4.94 
 18 ALA  HA     22 GLY  HN      4.51 
 19 GLN  HN     20 ALA  HN      2.40 
 19 GLN  HN     21 LEU  HN      5.34 
 19 GLN  HA     22 GLY  HN      3.98 
 19 GLN  HA     23 GLY  HN      4.01 
 19 GLN  HB2    20 ALA  HN      5.50 
 19 GLN  HB3    20 ALA  HN      5.50 
 20 ALA  HN     21 LEU  HN      4.35 
 20 ALA  HN     22 GLY  HN      4.51 
 20 ALA  HA     22 GLY  HN      5.38 
 20 ALA  HA     23 GLY  HN      3.83 
 20 ALA  HA     24 HIS  HN      4.60 
 21 LEU  HN     21 LEU  QD1     6.53 
 21 LEU  HN     21 LEU  QD2     6.53 
 21 LEU  HN     22 GLY  HN      2.40 
 21 LEU  HN     23 GLY  HN      5.13 
 21 LEU  HA     24 HIS  HN      3.95 
 21 LEU  HA     25 MET  HN      4.63 
 21 LEU  HB2    22 GLY  HN      5.47 
 21 LEU  HB3    22 GLY  HN      5.47 
 21 LEU  HG     22 GLY  HN      5.50 
 21 LEU  HG     24 HIS  HD2     5.50 
 21 LEU  QD1    22 GLY  HN      6.53 
 21 LEU  QD2    22 GLY  HN      6.53 
 22 GLY  HN     22 GLY  HA1     2.71 
 22 GLY  HN     22 GLY  HA2     2.71 
 22 GLY  HN     23 GLY  HN      2.74 
 22 GLY  HN     24 HIS  HN      3.98 
 23 GLY  HN     24 HIS  HN      4.45 
 23 GLY  HN     25 MET  HN      3.92 
 24 HIS  HN     24 HIS  HA      2.80 
 24 HIS  HN     24 HIS  HB2     2.71 
 24 HIS  HN     24 HIS  HB3     2.65 
 24 HIS  HN     25 MET  HN      2.40 
 24 HIS  HA     27 VAL  HN      3.17 
 24 HIS  HB3    24 HIS  HD2     3.83 
 24 HIS  HB3    25 MET  HN      2.99 
 24 HIS  HD2    25 MET  HA      5.19 
 24 HIS  HE1    27 VAL  QG1     6.53 
 24 HIS  HE1    27 VAL  QG2     6.53 
 25 MET  HN     26 ASN  HN      2.40 
 25 MET  HN     27 VAL  HN      3.86 
 25 MET  HA     26 ASN  HN      3.45 
 25 MET  HA     27 VAL  HN      4.17 
 25 MET  HA     28 HIS  HN      4.45 
 25 MET  HA     28 HIS  HE1     4.04 
 25 MET  HB2    26 ASN  HN      3.70 
 25 MET  HB3    26 ASN  HN      3.70 
 26 ASN  HN     26 ASN  HB2     2.55 
 26 ASN  HN     26 ASN  HB3     2.55 
 26 ASN  HN     27 VAL  HN      2.40 
 26 ASN  HN     28 HIS  HN      3.89 
 26 ASN  HN     28 HIS  HD2     5.50 
 26 ASN  HA     27 VAL  HN      3.45 
 26 ASN  HA     28 HIS  HN      3.70 
 26 ASN  HB2    27 VAL  HN      5.22 
 26 ASN  HB3    27 VAL  HN      5.22 
 27 VAL  HN     27 VAL  HA      2.80 
 27 VAL  HN     27 VAL  HB      3.42 
 27 VAL  HN     28 HIS  HN      2.40 
 27 VAL  HB     28 HIS  HN      4.11 
 27 VAL  QG1    28 HIS  HN      6.53 
 27 VAL  QG2    28 HIS  HN      6.53 
 28 HIS  HN     28 HIS  HB2     3.52 
 28 HIS  HN     28 HIS  HB3     3.52 
 28 HIS  HN     29 ARG+ HN      5.41 
 28 HIS  HA     28 HIS  HD2     5.50 
 29 ARG+ HN     29 ARG+ HA      2.65 
 29 ARG+ HN     29 ARG+ QG      6.38 
 29 ARG+ HN     30 ARG+ HN      3.79 
 29 ARG+ HA     30 ARG+ HN      2.96 
 30 ARG+ HA     31 ASP- HN      2.62 
 32 ARG+ HN     32 ARG+ QG      6.38 
 34 ARG+ HN     34 ARG+ HB2     4.11 
 34 ARG+ HN     34 ARG+ HB3     4.11 
 34 ARG+ HN     34 ARG+ QG      6.16 
 35 LEU  HN     35 LEU  HA      2.52 
 36 ARG+ HN     36 ARG+ QG      6.38 
  8 CYS- SG     11 CYS- SG      4.55 
 11 CYS- SG     24 HIS  NE2     4.27 
 24 HIS  NE2    28 HIS  NE2     3.85 
  8 CYS- SG     28 HIS  NE2     4.14 
  8 CYS- SG     24 HIS  NE2     4.29 
 11 CYS- SG     28 HIS  NE2     4.37 
  1 TRP  HE3     6 TYR  QB      6.38 
  6 TYR  HN      6 TYR  QB      3.64 
  6 TYR  QB     15 PHE  QB      4.68 
  6 TYR  QB     16 ARG+ HA      6.38 
  6 TYR  QB     21 LEU  HG      6.38 
  6 TYR  QB     21 LEU  QQD     8.05 
  6 TYR  HB2    21 LEU  QD2     9.67 
  6 TYR  HB3    21 LEU  QD2     9.67 
  6 TYR  QD     21 LEU  QQD    10.24 
  7 THR  HN     21 LEU  QQD     8.10 
  7 THR  QG2     8 CYS- QB      7.16 
  7 THR  QG2    12 LYS+ QG      6.69 
  7 THR  QG2    12 LYS+ QD      5.58 
  8 CYS- HN      8 CYS- QB      2.73 
  8 CYS- HA     21 LEU  QQD     8.10 
  8 CYS- QB     11 CYS- HN      4.46 
  8 CYS- QB     12 LYS+ HN      3.90 
  8 CYS- QB     13 ARG+ HN      4.77 
  8 CYS- QB     13 ARG+ QB      6.51 
  8 CYS- QB     15 PHE  QD      7.21 
  8 CYS- QB     15 PHE  QE      7.07 
  8 CYS- QB     15 PHE  HZ      5.64 
  8 CYS- QB     21 LEU  QQD     8.98 
  8 CYS- QB     24 HIS  HE1     5.67 
  8 CYS- QB     28 HIS  HD2     5.08 
  9 SER  QB     10 PHE  HN      3.74 
 10 PHE  HN     10 PHE  QB      3.32 
 10 PHE  HA     10 PHE  QB      2.71 
 10 PHE  QB     11 CYS- HN      3.73 
 10 PHE  QB     28 HIS  HE1     6.38 
 10 PHE  HZ     28 HIS  QB      6.38 
 11 CYS- QB     12 LYS+ HN      5.36 
 12 LYS+ HN     12 LYS+ QG      5.04 
 12 LYS+ HN     12 LYS+ QD      4.72 
 12 LYS+ HA     12 LYS+ QD      5.02 
 12 LYS+ HB2    12 LYS+ QD      3.53 
 12 LYS+ HB3    12 LYS+ QD      3.88 
 13 ARG+ HN     13 ARG+ QB      3.91 
 13 ARG+ HN     13 ARG+ QG      5.64 
 13 ARG+ QB     14 GLU- QG      7.26 
 13 ARG+ QB     15 PHE  QE      8.16 
 13 ARG+ QB     15 PHE  HZ      4.83 
 13 ARG+ QB     24 HIS  HE1     4.98 
 13 ARG+ QG     14 GLU- HN      6.38 
 13 ARG+ QG     15 PHE  QE      7.39 
 13 ARG+ QD     14 GLU- QB      7.26 
 14 GLU- HN     14 GLU- QB      3.27 
 14 GLU- QB     15 PHE  HN      4.24 
 14 GLU- QB     15 PHE  QD      8.50 
 15 PHE  HN     15 PHE  QB      3.85 
 15 PHE  QB     17 SER  HN      3.68 
 15 PHE  QD     21 LEU  QB      8.50 
 15 PHE  QD     21 LEU  QQD     8.32 
 15 PHE  QE     21 LEU  QQD    10.22 
 15 PHE  HZ     21 LEU  QQD     8.10 
 16 ARG+ QB     17 SER  QB      6.57 
 16 ARG+ QG     17 SER  QB      6.95 
 17 SER  HN     17 SER  QB      3.82 
 17 SER  QB     18 ALA  HN      2.92 
 18 ALA  HA     21 LEU  QB      4.49 
 18 ALA  HA     21 LEU  QQD     8.10 
 19 GLN  HA     22 GLY  QA      5.98 
 21 LEU  QB     22 GLY  HN      4.62 
 21 LEU  QQD    24 HIS  HB2     8.10 
 21 LEU  QQD    24 HIS  HD2     6.70 
 21 LEU  QQD    25 MET  HN      8.10 
 22 GLY  HN     22 GLY  QA      2.45 
 22 GLY  QA     24 HIS  HN      5.73 
 22 GLY  QA     25 MET  HN      4.49 
 22 GLY  QA     25 MET  QB      4.52 
 22 GLY  HA2    25 MET  HB2     5.98 
 22 GLY  HA2    25 MET  HB3     5.98 
 23 GLY  QA     25 MET  HN      5.60 
 23 GLY  QA     26 ASN  HN      6.38 
 23 GLY  QA     26 ASN  QB      6.63 
 23 GLY  QA     27 VAL  HN      5.95 
 24 HIS  HE1    27 VAL  QQG     5.80 
 25 MET  HA     28 HIS  QB      6.35 
 26 ASN  HN     26 ASN  QB      2.33 
 28 HIS  HN     28 HIS  QB      2.88 
 28 HIS  HA     28 HIS  QB      2.66 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           2H1      ACE   0  11.161  -2.746  -3.836
    2    H2   ACE   0           3H1      ACE   0  12.088  -4.035  -4.641
    3    H3   ACE   0           1H1      ACE   0  11.351  -2.734  -5.605
    4    H    TRP   1           H        TRP   1  10.954  -5.417  -6.150
    5    HA   TRP   1           HA       TRP   1   8.203  -5.987  -5.123
    6    HB2  TRP   1           2HB      TRP   1   7.435  -5.114  -7.059
    7    HB3  TRP   1           1HB      TRP   1   9.007  -5.302  -7.896
    8    HD1  TRP   1           HD       TRP   1   6.947  -8.106  -6.378
    9    HE1  TRP   1           1HE      TRP   1   6.417  -9.916  -8.270
   10    HE3  TRP   1           3HE      TRP   1   9.152  -5.786 -10.223
   11    HZ2  TRP   1           2HZ      TRP   1   6.946 -10.111 -11.050
   12    HZ3  TRP   1           3HZ      TRP   1   8.686  -6.406 -12.458
   13    HH2  TRP   1           HH       TRP   1   7.686  -8.708 -12.983
   14    HA   PRO   2           HA       PRO   2  10.790  -9.690  -4.762
   15    HB2  PRO   2           2HB      PRO   2   9.523 -10.635  -2.583
   16    HB3  PRO   2           1HB      PRO   2  10.964  -9.521  -2.607
   17    HG2  PRO   2           2HG      PRO   2   8.045  -8.952  -2.181
   18    HG3  PRO   2           1HG      PRO   2   9.503  -8.252  -1.327
   19    HD2  PRO   2           1HD      PRO   2   8.189  -6.893  -3.496
   20    HD3  PRO   2           2HD      PRO   2   9.978  -6.747  -3.186
   21    HA   PRO   3           HA       PRO   3   8.001 -12.591  -6.595
   22    HB2  PRO   3           2HB      PRO   3   8.678 -15.062  -5.634
   23    HB3  PRO   3           1HB      PRO   3   9.616 -14.173  -6.834
   24    HG2  PRO   3           2HG      PRO   3  10.057 -14.325  -3.816
   25    HG3  PRO   3           1HG      PRO   3  11.255 -14.469  -5.102
   26    HD2  PRO   3           1HD      PRO   3  10.815 -12.031  -3.791
   27    HD3  PRO   3           2HD      PRO   3  11.184 -12.055  -5.581
   28    H    ARG   4           H        ARG   4   8.153 -13.422  -3.055
   29    HA   ARG   4           HA       ARG   4   5.380 -14.362  -3.173
   30    HB2  ARG   4           2HB      ARG   4   5.995 -15.266  -0.858
   31    HB3  ARG   4           1HB      ARG   4   7.167 -15.784  -2.045
   32    HG2  ARG   4           2HG      ARG   4   8.557 -13.693  -1.314
   33    HG3  ARG   4           1HG      ARG   4   7.489 -13.637   0.068
   34    HD2  ARG   4           2HD      ARG   4   8.133 -15.829   0.772
   35    HD3  ARG   4           1HD      ARG   4   9.020 -16.114  -0.743
   36    HE   ARG   4           HE       ARG   4   9.961 -14.753   1.563
   37   HH11  ARG   4          2HH2      ARG   4  10.359 -14.728  -1.972
   38   HH12  ARG   4          1HH2      ARG   4  11.872 -13.787  -1.874
   39   HH21  ARG   4          2HH1      ARG   4  11.922 -13.626   1.619
   40   HH22  ARG   4          1HH1      ARG   4  12.726 -13.189   0.087
   41    H    SER   5           H        SER   5   5.835 -11.502  -3.435
   42    HA   SER   5           HA       SER   5   4.099 -10.224  -1.676
   43    HB2  SER   5           2HB      SER   5   5.707  -8.925  -0.235
   44    HB3  SER   5           1HB      SER   5   5.333 -10.563   0.264
   45    HG   SER   5           HG       SER   5   7.320 -11.307  -0.435
   46    H    TYR   6           H        TYR   6   3.906  -8.088  -2.059
   47    HA   TYR   6           HA       TYR   6   5.536  -6.898  -4.304
   48    HB2  TYR   6           1HB      TYR   6   2.596  -6.998  -4.439
   49    HB3  TYR   6           2HB      TYR   6   3.651  -6.606  -5.623
   50    HD1  TYR   6           2HD      TYR   6   2.345  -9.331  -3.653
   51    HD2  TYR   6           1HD      TYR   6   4.435  -8.265  -7.240
   52    HE1  TYR   6           2HE      TYR   6   2.373 -11.696  -4.304
   53    HE2  TYR   6           1HE      TYR   6   4.526 -10.657  -7.884
   54    HH   TYR   6           HH       TYR   6   3.994 -13.191  -6.768
   55    H    THR   7           H        THR   7   4.918  -4.620  -4.717
   56    HA   THR   7           HA       THR   7   4.378  -3.196  -2.169
   57    HB   THR   7           HB       THR   7   5.913  -2.124  -4.592
   58    HG1  THR   7           1HG      THR   7   6.949  -3.847  -2.524
   59   HG21  THR   7          3HG2      THR   7   6.198  -1.684  -1.604
   60   HG22  THR   7          1HG2      THR   7   7.129  -0.875  -2.886
   61   HG23  THR   7          2HG2      THR   7   5.379  -0.588  -2.742
   62    H    CYS   8           H        CYS   8   3.138  -1.017  -2.400
   63    HA   CYS   8           HA       CYS   8   1.285  -1.256  -4.648
   64    HB2  CYS   8           2HB      CYS   8   0.826  -0.867  -1.968
   65    HB3  CYS   8           1HB      CYS   8   0.683   0.771  -2.635
   66    H    SER   9           H        SER   9   4.165   0.273  -3.856
   67    HA   SER   9           HA       SER   9   5.432   2.058  -4.503
   68    HB2  SER   9           2HB      SER   9   5.263   3.234  -6.284
   69    HB3  SER   9           1HB      SER   9   4.515   1.664  -6.716
   70    HG   SER   9           HG       SER   9   2.703   2.662  -7.194
   71    H    PHE  10           H        PHE  10   2.067   3.273  -4.478
   72    HA   PHE  10           HA       PHE  10   2.504   5.667  -3.230
   73    HB2  PHE  10           1HB      PHE  10   0.398   4.000  -3.987
   74    HB3  PHE  10           2HB      PHE  10   0.037   4.530  -2.485
   75    HD1  PHE  10           2HD      PHE  10  -0.089   7.055  -2.033
   76    HD2  PHE  10           1HD      PHE  10  -0.300   5.112  -5.850
   77    HE1  PHE  10           2HE      PHE  10  -1.378   8.973  -2.939
   78    HE2  PHE  10           1HE      PHE  10  -1.590   7.020  -6.759
   79    HZ   PHE  10           HZ       PHE  10  -2.114   8.964  -5.311
   80    H    CYS  11           H        CYS  11   1.955   2.468  -1.486
   81    HA   CYS  11           HA       CYS  11   2.416   4.033   0.966
   82    HB2  CYS  11           2HB      CYS  11   1.439   2.133   2.175
   83    HB3  CYS  11           1HB      CYS  11   0.301   2.863   1.026
   84    H    LYS  12           H        LYS  12   4.458   2.842  -1.205
   85    HA   LYS  12           HA       LYS  12   5.775   0.802  -1.446
   86    HB2  LYS  12           2HB      LYS  12   7.844   1.596  -0.544
   87    HB3  LYS  12           1HB      LYS  12   6.892   3.048  -0.986
   88    HG2  LYS  12           2HG      LYS  12   6.332   3.415   1.397
   89    HG3  LYS  12           1HG      LYS  12   7.176   1.952   1.857
   90    HD2  LYS  12           2HD      LYS  12   9.218   3.074   0.657
   91    HD3  LYS  12           1HD      LYS  12   8.274   4.564   0.922
   92    HE2  LYS  12           2HE      LYS  12   8.082   3.971   3.364
   93    HE3  LYS  12           1HE      LYS  12   9.059   2.535   3.089
   94    HZ1  LYS  12           3HZ      LYS  12   9.913   5.308   2.640
   95    HZ2  LYS  12           1HZ      LYS  12  10.337   4.320   3.932
   96    HZ3  LYS  12           2HZ      LYS  12  10.847   3.935   2.376
   97    H    ARG  13           H        ARG  13   3.718   0.094   0.535
   98    HA   ARG  13           HA       ARG  13   5.146  -1.562   2.408
   99    HB2  ARG  13           2HB      ARG  13   2.553  -0.310   2.249
  100    HB3  ARG  13           1HB      ARG  13   2.234  -2.011   2.240
  101    HG2  ARG  13           2HG      ARG  13   2.261  -1.600   4.516
  102    HG3  ARG  13           1HG      ARG  13   3.927  -2.020   4.330
  103    HD2  ARG  13           2HD      ARG  13   4.409  -0.107   5.289
  104    HD3  ARG  13           1HD      ARG  13   3.885   0.722   3.811
  105    HE   ARG  13           HE       ARG  13   1.553   0.200   5.153
  106   HH11  ARG  13          2HH2      ARG  13   4.433   2.155   5.865
  107   HH12  ARG  13          1HH2      ARG  13   3.540   3.191   7.011
  108   HH21  ARG  13          2HH1      ARG  13   0.479   1.553   6.624
  109   HH22  ARG  13          1HH1      ARG  13   1.388   2.865   7.423
  110    H    GLU  14           H        GLU  14   5.602  -3.570   2.205
  111    HA   GLU  14           HA       GLU  14   4.950  -5.239  -0.137
  112    HB2  GLU  14           2HB      GLU  14   6.233  -6.931   0.908
  113    HB3  GLU  14           1HB      GLU  14   7.091  -5.401   0.507
  114    HG2  GLU  14           2HG      GLU  14   6.191  -5.904   3.354
  115    HG3  GLU  14           1HG      GLU  14   7.648  -6.662   2.766
  116    H    PHE  15           H        PHE  15   3.229  -6.251  -0.409
  117    HA   PHE  15           HA       PHE  15   1.690  -7.478   1.838
  118    HB2  PHE  15           1HB      PHE  15   0.815  -6.739  -0.880
  119    HB3  PHE  15           2HB      PHE  15  -0.131  -7.325   0.316
  120    HD1  PHE  15           1HD      PHE  15   1.750  -4.402  -0.788
  121    HD2  PHE  15           2HD      PHE  15  -1.220  -5.969   1.893
  122    HE1  PHE  15           1HE      PHE  15   1.019  -2.103  -0.258
  123    HE2  PHE  15           2HE      PHE  15  -1.908  -3.658   2.476
  124    HZ   PHE  15           HZ       PHE  15  -0.703  -1.723   1.475
  125    H    ARG  16           H        ARG  16   0.674  -9.550   1.366
  126    HA   ARG  16           HA       ARG  16   2.231 -11.266  -0.495
  127    HB2  ARG  16           2HB      ARG  16   0.861 -11.727   2.198
  128    HB3  ARG  16           1HB      ARG  16   1.156 -13.077   1.133
  129    HG2  ARG  16           2HG      ARG  16   3.578 -12.532   1.114
  130    HG3  ARG  16           1HG      ARG  16   3.267 -11.190   2.219
  131    HD2  ARG  16           2HD      ARG  16   2.216 -13.906   3.017
  132    HD3  ARG  16           1HD      ARG  16   3.941 -13.630   3.140
  133    HE   ARG  16           HE       ARG  16   3.616 -12.220   4.851
  134   HH11  ARG  16          2HH2      ARG  16   0.350 -12.866   3.564
  135   HH12  ARG  16          1HH2      ARG  16  -0.419 -12.071   4.964
  136   HH21  ARG  16          2HH1      ARG  16   2.582 -11.271   6.573
  137   HH22  ARG  16          1HH1      ARG  16   0.800 -11.203   6.607
  138    H    SER  17           H        SER  17   0.397  -9.839  -1.828
  139    HA   SER  17           HA       SER  17  -1.697 -11.780  -2.551
  140    HB2  SER  17           2HB      SER  17  -2.314  -8.869  -1.805
  141    HB3  SER  17           1HB      SER  17  -3.459 -10.010  -2.483
  142    HG   SER  17           HG       SER  17  -3.694  -9.894  -0.214
  143    H    ALA  18           H        ALA  18  -2.826 -10.917  -4.661
  144    HA   ALA  18           HA       ALA  18  -1.047  -9.045  -6.200
  145    HB1  ALA  18           1HB      ALA  18  -1.708 -10.186  -8.188
  146    HB2  ALA  18           2HB      ALA  18  -0.871 -11.261  -7.043
  147    HB3  ALA  18           3HB      ALA  18  -2.638 -11.360  -7.227
  148    H    GLN  19           H        GLN  19  -4.398 -10.294  -6.578
  149    HA   GLN  19           HA       GLN  19  -5.475  -7.964  -7.586
  150    HB2  GLN  19           2HB      GLN  19  -6.306 -10.517  -7.398
  151    HB3  GLN  19           1HB      GLN  19  -7.117  -9.947  -5.945
  152    HG2  GLN  19           2HG      GLN  19  -8.592  -8.613  -7.119
  153    HG3  GLN  19           1HG      GLN  19  -7.464  -8.337  -8.455
  154   HE21  GLN  19          2HE2      GLN  19  -8.280  -9.141 -10.260
  155   HE22  GLN  19          1HE2      GLN  19  -9.057 -10.738 -10.428
  156    H    ALA  20           H        ALA  20  -5.456  -8.954  -4.109
  157    HA   ALA  20           HA       ALA  20  -6.749  -6.765  -2.977
  158    HB1  ALA  20           1HB      ALA  20  -5.472  -7.118  -1.022
  159    HB2  ALA  20           2HB      ALA  20  -6.071  -8.648  -1.704
  160    HB3  ALA  20           3HB      ALA  20  -4.363  -8.193  -1.904
  161    H    LEU  21           H        LEU  21  -3.314  -6.780  -4.240
  162    HA   LEU  21           HA       LEU  21  -2.760  -4.136  -3.266
  163    HB2  LEU  21           2HB      LEU  21  -1.333  -5.913  -5.248
  164    HB3  LEU  21           1HB      LEU  21  -0.889  -4.237  -5.046
  165    HG   LEU  21           HG       LEU  21  -0.944  -4.958  -2.462
  166   HD11  LEU  21          1HD1      LEU  21  -0.002  -7.200  -2.241
  167   HD12  LEU  21          2HD1      LEU  21  -1.648  -7.231  -2.915
  168   HD13  LEU  21          3HD1      LEU  21  -0.245  -7.474  -3.982
  169   HD21  LEU  21          3HD2      LEU  21   0.905  -3.894  -3.719
  170   HD22  LEU  21          1HD2      LEU  21   1.504  -5.239  -2.721
  171   HD23  LEU  21          2HD2      LEU  21   1.293  -5.458  -4.474
  172    H    GLY  22           H        GLY  22  -3.627  -5.425  -6.595
  173    HA2  GLY  22           2HA      GLY  22  -3.743  -3.061  -8.019
  174    HA3  GLY  22           1HA      GLY  22  -4.841  -4.414  -8.266
  175    H    GLY  23           H        GLY  23  -6.482  -4.538  -6.145
  176    HA2  GLY  23           2HA      GLY  23  -8.286  -2.322  -6.244
  177    HA3  GLY  23           1HA      GLY  23  -8.281  -3.585  -5.052
  178    H    HIS  24           H        HIS  24  -5.658  -3.097  -3.880
  179    HA   HIS  24           HA       HIS  24  -6.528  -1.193  -1.997
  180    HB2  HIS  24           2HB      HIS  24  -5.346  -2.974  -1.187
  181    HB3  HIS  24           1HB      HIS  24  -4.016  -2.757  -2.368
  182    HD1  HIS  24           1HD      HIS  24  -4.550  -2.454   0.989
  183    HD2  HIS  24           2HD      HIS  24  -2.925   0.133  -1.839
  184    HE1  HIS  24           1HE      HIS  24  -3.067  -0.744   2.322
  185    H    MET  25           H        MET  25  -4.059  -1.090  -4.634
  186    HA   MET  25           HA       MET  25  -3.121   1.548  -4.344
  187    HB2  MET  25           2HB      MET  25  -2.318  -0.426  -5.846
  188    HB3  MET  25           1HB      MET  25  -3.485   0.178  -7.005
  189    HG2  MET  25           2HG      MET  25  -2.370   2.345  -7.110
  190    HG3  MET  25           1HG      MET  25  -1.345   1.960  -5.754
  191    HE1  MET  25           3HE      MET  25   0.600   2.837  -7.294
  192    HE2  MET  25           1HE      MET  25   0.994   2.144  -8.885
  193    HE3  MET  25           2HE      MET  25  -0.528   3.037  -8.656
  194    H    ASN  26           H        ASN  26  -5.963   0.351  -6.253
  195    HA   ASN  26           HA       ASN  26  -6.811   2.922  -7.108
  196    HB2  ASN  26           2HB      ASN  26  -7.531   0.554  -7.959
  197    HB3  ASN  26           1HB      ASN  26  -8.637   0.527  -6.596
  198   HD21  ASN  26          2HD2      ASN  26 -10.627   0.957  -7.228
  199   HD22  ASN  26          1HD2      ASN  26 -11.086   2.216  -8.406
  200    H    VAL  27           H        VAL  27  -7.586   1.231  -4.024
  201    HA   VAL  27           HA       VAL  27  -9.417   3.164  -3.126
  202    HB   VAL  27           HB       VAL  27  -8.981   0.841  -2.324
  203   HG11  VAL  27          1HG1      VAL  27  -7.928   0.696  -0.125
  204   HG12  VAL  27          2HG1      VAL  27  -6.730   1.065  -1.388
  205   HG13  VAL  27          3HG1      VAL  27  -7.303   2.353  -0.302
  206   HG21  VAL  27          3HG2      VAL  27 -10.832   2.200  -1.768
  207   HG22  VAL  27          1HG2      VAL  27 -10.210   1.397  -0.307
  208   HG23  VAL  27          2HG2      VAL  27  -9.866   3.120  -0.590
  209    H    HIS  28           H        HIS  28  -5.905   3.495  -3.400
  210    HA   HIS  28           HA       HIS  28  -5.336   5.336  -1.471
  211    HB2  HIS  28           2HB      HIS  28  -4.286   5.015  -4.249
  212    HB3  HIS  28           1HB      HIS  28  -3.628   6.186  -3.063
  213    HD1  HIS  28           1HD      HIS  28  -4.070   4.165  -0.672
  214    HD2  HIS  28           2HD      HIS  28  -1.950   3.460  -4.186
  215    HE1  HIS  28           1HE      HIS  28  -2.351   2.256  -0.124
  216    H    ARG  29           H        ARG  29  -6.077   7.372  -1.004
  217    HA   ARG  29           HA       ARG  29  -6.318   9.546  -2.908
  218    HB2  ARG  29           2HB      ARG  29  -8.764   7.987  -2.475
  219    HB3  ARG  29           1HB      ARG  29  -8.900   9.670  -1.977
  220    HG2  ARG  29           2HG      ARG  29  -8.220  10.453  -4.159
  221    HG3  ARG  29           1HG      ARG  29  -7.783   8.816  -4.673
  222    HD2  ARG  29           2HD      ARG  29  -9.932   8.337  -5.235
  223    HD3  ARG  29           1HD      ARG  29 -10.546   8.925  -3.686
  224    HE   ARG  29           HE       ARG  29 -10.501  10.302  -6.183
  225   HH11  ARG  29          2HH2      ARG  29 -10.392  10.914  -2.684
  226   HH12  ARG  29          1HH2      ARG  29 -11.021  12.573  -2.865
  227   HH21  ARG  29          2HH1      ARG  29 -11.317  12.417  -6.355
  228   HH22  ARG  29          1HH1      ARG  29 -11.529  13.396  -4.879
  229    H    ARG  30           H        ARG  30  -4.981  10.581  -1.606
  230    HA   ARG  30           HA       ARG  30  -4.273  11.911   0.141
  231    HB2  ARG  30           2HB      ARG  30  -7.230  11.986   0.797
  232    HB3  ARG  30           1HB      ARG  30  -5.957  13.033   1.506
  233    HG2  ARG  30           2HG      ARG  30  -6.704  13.020  -1.455
  234    HG3  ARG  30           1HG      ARG  30  -7.327  14.171  -0.288
  235    HD2  ARG  30           2HD      ARG  30  -4.880  14.714   0.256
  236    HD3  ARG  30           1HD      ARG  30  -4.490  13.812  -1.230
  237    HE   ARG  30           HE       ARG  30  -6.528  15.520  -1.950
  238   HH11  ARG  30          2HH2      ARG  30  -3.180  15.906  -0.841
  239   HH12  ARG  30          1HH2      ARG  30  -3.047  17.544  -1.534
  240   HH21  ARG  30          2HH1      ARG  30  -6.315  17.624  -2.791
  241   HH22  ARG  30          1HH1      ARG  30  -4.764  18.485  -2.603
  242    H    ASP  31           H        ASP  31  -3.951  12.079   2.459
  243    HA   ASP  31           HA       ASP  31  -3.983   9.571   3.933
  244    HB2  ASP  31           2HB      ASP  31  -3.212  10.807   5.786
  245    HB3  ASP  31           1HB      ASP  31  -2.211  10.889   4.302
  246    H    ARG  32           H        ARG  32  -5.766  12.641   4.622
  247    HA   ARG  32           HA       ARG  32  -7.492  13.063   6.090
  248    HB2  ARG  32           2HB      ARG  32  -9.563  12.439   5.105
  249    HB3  ARG  32           1HB      ARG  32  -8.407  12.683   3.759
  250    HG2  ARG  32           2HG      ARG  32  -8.228  10.307   3.386
  251    HG3  ARG  32           1HG      ARG  32  -9.066   9.930   4.885
  252    HD2  ARG  32           2HD      ARG  32 -10.964  11.386   3.808
  253    HD3  ARG  32           1HD      ARG  32 -10.108  10.900   2.292
  254    HE   ARG  32           HE       ARG  32 -10.273   8.638   3.928
  255   HH11  ARG  32          2HH2      ARG  32 -12.527  10.521   1.942
  256   HH12  ARG  32          1HH2      ARG  32 -13.725   9.201   1.895
  257   HH21  ARG  32          2HH1      ARG  32 -11.802   6.984   3.821
  258   HH22  ARG  32          1HH1      ARG  32 -13.324   7.249   2.929
  259    H    ALA  33           H        ALA  33  -5.854  11.413   7.437
  260    HA   ALA  33           HA       ALA  33  -7.582  10.183   9.352
  261    HB1  ALA  33           1HB      ALA  33  -6.643   7.888   9.062
  262    HB2  ALA  33           2HB      ALA  33  -7.567   8.400   7.630
  263    HB3  ALA  33           3HB      ALA  33  -5.788   8.433   7.599
  264    H    ARG  34           H        ARG  34  -5.870   8.796  10.837
  265    HA   ARG  34           HA       ARG  34  -3.838  10.615  11.811
  266    HB2  ARG  34           2HB      ARG  34  -3.954   7.719  12.563
  267    HB3  ARG  34           1HB      ARG  34  -3.634   9.171  13.575
  268    HG2  ARG  34           2HG      ARG  34  -5.648   8.602  14.412
  269    HG3  ARG  34           1HG      ARG  34  -6.208   9.596  13.036
  270    HD2  ARG  34           2HD      ARG  34  -5.890   7.138  11.813
  271    HD3  ARG  34           1HD      ARG  34  -6.378   6.627  13.428
  272    HE   ARG  34           HE       ARG  34  -8.131   8.649  12.711
  273   HH11  ARG  34          2HH2      ARG  34  -7.357   5.361  11.596
  274   HH12  ARG  34          1HH2      ARG  34  -8.987   5.123  10.911
  275   HH21  ARG  34          2HH1      ARG  34 -10.173   8.295  11.787
  276   HH22  ARG  34          1HH1      ARG  34 -10.524   6.725  11.016
  277    H    LEU  35           H        LEU  35  -1.989   8.241  12.355
  278    HA   LEU  35           HA       LEU  35  -0.072   7.281  11.568
  279    HB2  LEU  35           2HB      LEU  35  -0.879   7.879   8.749
  280    HB3  LEU  35           1HB      LEU  35   0.274   6.656   9.377
  281    HG   LEU  35           HG       LEU  35  -2.722   6.522   9.933
  282   HD11  LEU  35          1HD1      LEU  35  -2.845   4.925   8.109
  283   HD12  LEU  35          2HD1      LEU  35  -2.361   6.532   7.517
  284   HD13  LEU  35          3HD1      LEU  35  -1.145   5.244   7.690
  285   HD21  LEU  35          3HD2      LEU  35  -1.270   5.235  11.448
  286   HD22  LEU  35          1HD2      LEU  35  -2.246   4.190  10.389
  287   HD23  LEU  35          2HD2      LEU  35  -0.519   4.445  10.042
  288    H    ARG  36           H        ARG  36   1.768   8.292  11.913
  289    HA   ARG  36           HA       ARG  36   2.096  11.041  11.715
  290    HB2  ARG  36           2HB      ARG  36   3.342   9.110  13.117
  291    HB3  ARG  36           1HB      ARG  36   4.444   9.063  11.761
  292    HG2  ARG  36           2HG      ARG  36   5.191  11.255  12.122
  293    HG3  ARG  36           1HG      ARG  36   3.794  11.664  13.140
  294    HD2  ARG  36           2HD      ARG  36   5.072   9.357  14.265
  295    HD3  ARG  36           1HD      ARG  36   6.322  10.589  13.937
  296    HE   ARG  36           HE       ARG  36   4.212  11.978  15.043
  297   HH11  ARG  36          2HH2      ARG  36   6.093   9.219  16.266
  298   HH12  ARG  36          1HH2      ARG  36   5.975   9.787  17.953
  299   HH21  ARG  36          2HH1      ARG  36   4.043  12.610  17.203
  300   HH22  ARG  36          1HH1      ARG  36   4.850  11.642  18.466
  301    H    LEU  37           H        LEU  37   3.440   8.600   9.443
  302    HA   LEU  37           HA       LEU  37   3.569  10.753   7.354
  303    HB2  LEU  37           2HB      LEU  37   5.498   8.442   7.768
  304    HB3  LEU  37           1HB      LEU  37   5.467   9.498   6.376
  305    HG   LEU  37           HG       LEU  37   5.532  11.116   8.770
  306   HD11  LEU  37          1HD1      LEU  37   7.681  10.402   9.651
  307   HD12  LEU  37          2HD1      LEU  37   6.433   9.153   9.872
  308   HD13  LEU  37          3HD1      LEU  37   7.654   8.974   8.590
  309   HD21  LEU  37          3HD2      LEU  37   6.263  11.801   6.510
  310   HD22  LEU  37          1HD2      LEU  37   7.581  11.943   7.698
  311   HD23  LEU  37          2HD2      LEU  37   7.552  10.575   6.560
  312    HN1  NH2  38           3HN      NH2  38   2.657   6.898   6.252
  313    HN2  NH2  38           2HN      NH2  38   3.358   7.197   7.807
  Start of MODEL    2
    1    H1   ACE   0           2H1      ACE   0  10.824  -1.953  -8.565
    2    H2   ACE   0           3H1      ACE   0  10.695  -0.684  -7.323
    3    H3   ACE   0           1H1      ACE   0  11.806  -2.055  -7.084
    4    H    TRP   1           H        TRP   1  10.607  -4.249  -7.452
    5    HA   TRP   1           HA       TRP   1   8.958  -4.725  -5.250
    6    HB2  TRP   1           2HB      TRP   1   6.763  -5.087  -6.619
    7    HB3  TRP   1           1HB      TRP   1   7.142  -3.482  -5.919
    8    HD1  TRP   1           HD       TRP   1   9.037  -4.279  -8.972
    9    HE1  TRP   1           1HE      TRP   1   8.055  -2.987 -11.092
   10    HE3  TRP   1           3HE      TRP   1   4.643  -2.906  -7.002
   11    HZ2  TRP   1           2HZ      TRP   1   5.646  -1.589 -11.639
   12    HZ3  TRP   1           3HZ      TRP   1   3.334  -1.206  -8.000
   13    HH2  TRP   1           HH       TRP   1   3.695  -0.561 -10.453
   14    HA   PRO   2           HA       PRO   2  10.023  -8.798  -6.670
   15    HB2  PRO   2           2HB      PRO   2   8.613 -10.227  -4.875
   16    HB3  PRO   2           1HB      PRO   2  10.033  -9.307  -4.382
   17    HG2  PRO   2           2HG      PRO   2   7.090  -8.496  -4.163
   18    HG3  PRO   2           1HG      PRO   2   8.327  -8.423  -2.915
   19    HD2  PRO   2           1HD      PRO   2   7.749  -6.193  -4.491
   20    HD3  PRO   2           2HD      PRO   2   9.469  -6.538  -4.000
   21    HA   PRO   3           HA       PRO   3   6.795 -10.177  -9.344
   22    HB2  PRO   3           2HB      PRO   3   7.308 -12.869  -9.547
   23    HB3  PRO   3           1HB      PRO   3   8.285 -11.643 -10.353
   24    HG2  PRO   3           2HG      PRO   3   8.820 -13.035  -7.682
   25    HG3  PRO   3           1HG      PRO   3   9.943 -12.771  -9.014
   26    HD2  PRO   3           1HD      PRO   3   9.840 -11.006  -6.840
   27    HD3  PRO   3           2HD      PRO   3  10.115 -10.357  -8.527
   28    H    ARG   4           H        ARG   4   7.211 -11.984  -6.274
   29    HA   ARG   4           HA       ARG   4   4.385 -12.841  -6.218
   30    HB2  ARG   4           2HB      ARG   4   5.054 -13.934  -4.126
   31    HB3  ARG   4           1HB      ARG   4   6.077 -14.451  -5.503
   32    HG2  ARG   4           2HG      ARG   4   7.984 -13.404  -4.631
   33    HG3  ARG   4           1HG      ARG   4   7.062 -12.214  -3.726
   34    HD2  ARG   4           2HD      ARG   4   6.243 -14.562  -2.581
   35    HD3  ARG   4           1HD      ARG   4   7.969 -14.873  -2.977
   36    HE   ARG   4           HE       ARG   4   7.716 -12.259  -1.919
   37   HH11  ARG   4          2HH2      ARG   4   7.415 -15.562  -0.639
   38   HH12  ARG   4          1HH2      ARG   4   7.880 -15.051   1.005
   39   HH21  ARG   4          2HH1      ARG   4   8.302 -11.670   0.179
   40   HH22  ARG   4          1HH1      ARG   4   8.366 -12.917   1.454
   41    H    SER   5           H        SER   5   2.835 -11.831  -5.200
   42    HA   SER   5           HA       SER   5   1.649 -10.160  -4.068
   43    HB2  SER   5           2HB      SER   5   3.883 -10.722  -2.245
   44    HB3  SER   5           1HB      SER   5   3.094  -9.155  -2.067
   45    HG   SER   5           HG       SER   5   2.123 -10.901  -0.835
   46    H    TYR   6           H        TYR   6   1.209  -8.078  -4.047
   47    HA   TYR   6           HA       TYR   6   3.468  -6.162  -4.774
   48    HB2  TYR   6           1HB      TYR   6   0.778  -6.205  -5.966
   49    HB3  TYR   6           2HB      TYR   6   1.818  -4.952  -6.082
   50    HD1  TYR   6           1HD      TYR   6   4.207  -5.447  -7.035
   51    HD2  TYR   6           2HD      TYR   6   0.733  -7.906  -7.596
   52    HE1  TYR   6           1HE      TYR   6   5.164  -6.298  -9.139
   53    HE2  TYR   6           2HE      TYR   6   1.677  -8.769  -9.704
   54    HH   TYR   6           HH       TYR   6   4.505  -8.687 -10.929
   55    H    THR   7           H        THR   7   3.546  -4.197  -4.138
   56    HA   THR   7           HA       THR   7   2.420  -3.615  -1.517
   57    HB   THR   7           HB       THR   7   3.791  -1.541  -1.731
   58    HG1  THR   7           1HG      THR   7   5.220  -1.461  -3.590
   59   HG21  THR   7          3HG2      THR   7   5.291  -4.077  -2.435
   60   HG22  THR   7          1HG2      THR   7   5.969  -2.599  -1.711
   61   HG23  THR   7          2HG2      THR   7   4.801  -3.582  -0.797
   62    H    CYS   8           H        CYS   8   1.284  -1.532  -1.084
   63    HA   CYS   8           HA       CYS   8  -0.627  -0.950  -3.219
   64    HB2  CYS   8           2HB      CYS   8  -1.025  -1.536  -0.572
   65    HB3  CYS   8           1HB      CYS   8  -1.134   0.235  -0.596
   66    H    SER   9           H        SER   9   2.340   0.143  -2.350
   67    HA   SER   9           HA       SER   9   3.614   2.054  -2.213
   68    HB2  SER   9           2HB      SER   9   3.344   3.828  -3.372
   69    HB3  SER   9           1HB      SER   9   2.529   2.547  -4.325
   70    HG   SER   9           HG       SER   9   0.680   3.599  -4.192
   71    H    PHE  10           H        PHE  10   0.296   3.152  -1.408
   72    HA   PHE  10           HA       PHE  10   1.010   4.912   0.592
   73    HB2  PHE  10           1HB      PHE  10  -1.255   3.842  -0.586
   74    HB3  PHE  10           2HB      PHE  10  -1.500   3.678   1.020
   75    HD1  PHE  10           2HD      PHE  10  -1.650   5.672   2.534
   76    HD2  PHE  10           1HD      PHE  10  -1.702   5.778  -1.755
   77    HE1  PHE  10           2HE      PHE  10  -2.872   7.831   2.602
   78    HE2  PHE  10           1HE      PHE  10  -2.930   7.927  -1.693
   79    HZ   PHE  10           HZ       PHE  10  -3.501   8.967   0.487
   80    H    CYS  11           H        CYS  11  -0.150   1.406   1.184
   81    HA   CYS  11           HA       CYS  11   0.893   1.841   3.888
   82    HB2  CYS  11           2HB      CYS  11  -0.342  -0.188   4.484
   83    HB3  CYS  11           1HB      CYS  11  -1.399   1.061   3.799
   84    H    LYS  12           H        LYS  12   2.844   1.329   1.641
   85    HA   LYS  12           HA       LYS  12   3.428  -0.581   0.019
   86    HB2  LYS  12           2HB      LYS  12   5.651  -0.515   0.883
   87    HB3  LYS  12           1HB      LYS  12   4.918   1.050   1.368
   88    HG2  LYS  12           2HG      LYS  12   4.500  -0.045   3.669
   89    HG3  LYS  12           1HG      LYS  12   5.547  -1.344   3.148
   90    HD2  LYS  12           2HD      LYS  12   7.133   0.790   2.538
   91    HD3  LYS  12           1HD      LYS  12   6.226   1.438   3.902
   92    HE2  LYS  12           2HE      LYS  12   8.005   0.396   4.979
   93    HE3  LYS  12           1HE      LYS  12   6.794  -0.893   5.024
   94    HZ1  LYS  12           3HZ      LYS  12   8.921  -0.594   3.005
   95    HZ2  LYS  12           1HZ      LYS  12   8.905  -1.689   4.282
   96    HZ3  LYS  12           2HZ      LYS  12   7.770  -1.819   3.048
   97    H    ARG  13           H        ARG  13   1.377  -1.788   1.861
   98    HA   ARG  13           HA       ARG  13   2.509  -4.204   2.781
   99    HB2  ARG  13           2HB      ARG  13   0.215  -2.876   3.387
  100    HB3  ARG  13           1HB      ARG  13  -0.462  -3.900   2.168
  101    HG2  ARG  13           2HG      ARG  13   0.689  -5.829   3.477
  102    HG3  ARG  13           1HG      ARG  13   0.727  -4.626   4.791
  103    HD2  ARG  13           2HD      ARG  13  -1.777  -4.201   4.032
  104    HD3  ARG  13           1HD      ARG  13  -1.626  -5.864   3.383
  105    HE   ARG  13           HE       ARG  13  -2.163  -5.133   6.005
  106   HH11  ARG  13          2HH2      ARG  13  -0.101  -7.563   4.405
  107   HH12  ARG  13          1HH2      ARG  13  -0.125  -8.614   5.847
  108   HH21  ARG  13          2HH1      ARG  13  -2.161  -6.495   7.752
  109   HH22  ARG  13          1HH1      ARG  13  -1.255  -8.030   7.677
  110    H    GLU  14           H        GLU  14   2.766  -6.065   1.890
  111    HA   GLU  14           HA       GLU  14   2.436  -6.564  -0.966
  112    HB2  GLU  14           2HB      GLU  14   3.581  -8.112   1.369
  113    HB3  GLU  14           1HB      GLU  14   3.494  -8.747  -0.273
  114    HG2  GLU  14           2HG      GLU  14   4.975  -7.069  -1.117
  115    HG3  GLU  14           1HG      GLU  14   4.795  -6.063   0.319
  116    H    PHE  15           H        PHE  15   0.468  -6.875  -1.698
  117    HA   PHE  15           HA       PHE  15  -1.306  -8.900  -0.409
  118    HB2  PHE  15           1HB      PHE  15  -1.855  -6.950  -2.553
  119    HB3  PHE  15           2HB      PHE  15  -2.941  -7.960  -1.871
  120    HD1  PHE  15           1HD      PHE  15  -3.837  -7.629   0.379
  121    HD2  PHE  15           2HD      PHE  15  -1.089  -4.892  -1.480
  122    HE1  PHE  15           1HE      PHE  15  -4.327  -5.941   2.131
  123    HE2  PHE  15           2HE      PHE  15  -1.623  -3.193   0.241
  124    HZ   PHE  15           HZ       PHE  15  -3.103  -3.777   2.120
  125    H    ARG  16           H        ARG  16  -1.550 -10.833  -1.235
  126    HA   ARG  16           HA       ARG  16  -0.504 -11.579  -3.824
  127    HB2  ARG  16           2HB      ARG  16  -0.794 -12.895  -1.444
  128    HB3  ARG  16           1HB      ARG  16  -2.315 -13.377  -2.190
  129    HG2  ARG  16           2HG      ARG  16  -0.735 -13.987  -4.282
  130    HG3  ARG  16           1HG      ARG  16   0.507 -14.049  -3.072
  131    HD2  ARG  16           2HD      ARG  16  -2.049 -15.627  -3.108
  132    HD3  ARG  16           1HD      ARG  16  -0.378 -16.200  -3.416
  133    HE   ARG  16           HE       ARG  16  -1.714 -15.953  -0.927
  134   HH11  ARG  16          2HH2      ARG  16   1.584 -15.699  -2.254
  135   HH12  ARG  16          1HH2      ARG  16   2.317 -16.116  -0.682
  136   HH21  ARG  16          2HH1      ARG  16  -0.727 -16.483   1.007
  137   HH22  ARG  16          1HH1      ARG  16   1.054 -16.545   1.100
  138    H    SER  17           H        SER  17  -2.213  -9.595  -4.345
  139    HA   SER  17           HA       SER  17  -4.582 -10.726  -5.718
  140    HB2  SER  17           2HB      SER  17  -4.729  -8.938  -3.319
  141    HB3  SER  17           1HB      SER  17  -5.940  -8.858  -4.626
  142    HG   SER  17           HG       SER  17  -5.154 -11.372  -3.441
  143    H    ALA  18           H        ALA  18  -5.596  -9.310  -7.131
  144    HA   ALA  18           HA       ALA  18  -3.960  -6.960  -8.018
  145    HB1  ALA  18           1HB      ALA  18  -4.780  -7.397 -10.230
  146    HB2  ALA  18           2HB      ALA  18  -3.860  -8.772  -9.574
  147    HB3  ALA  18           3HB      ALA  18  -5.637  -8.842  -9.644
  148    H    GLN  19           H        GLN  19  -7.368  -8.011  -8.695
  149    HA   GLN  19           HA       GLN  19  -8.589  -5.512  -8.566
  150    HB2  GLN  19           2HB      GLN  19 -10.661  -6.721  -8.118
  151    HB3  GLN  19           1HB      GLN  19  -9.700  -7.478  -9.436
  152    HG2  GLN  19           2HG      GLN  19  -9.808  -8.606  -6.590
  153    HG3  GLN  19           1HG      GLN  19 -10.854  -9.144  -7.862
  154   HE21  GLN  19          2HE2      GLN  19  -8.527 -10.282  -6.203
  155   HE22  GLN  19          1HE2      GLN  19  -7.541 -11.092  -7.449
  156    H    ALA  20           H        ALA  20  -8.326  -7.722  -5.784
  157    HA   ALA  20           HA       ALA  20  -9.419  -6.016  -3.797
  158    HB1  ALA  20           1HB      ALA  20  -8.351  -7.463  -2.250
  159    HB2  ALA  20           2HB      ALA  20  -9.167  -8.384  -3.536
  160    HB3  ALA  20           3HB      ALA  20  -7.396  -8.207  -3.555
  161    H    LEU  21           H        LEU  21  -6.228  -5.809  -5.342
  162    HA   LEU  21           HA       LEU  21  -5.010  -4.308  -3.121
  163    HB2  LEU  21           2HB      LEU  21  -3.933  -6.082  -4.645
  164    HB3  LEU  21           1HB      LEU  21  -3.922  -4.776  -5.879
  165    HG   LEU  21           HG       LEU  21  -2.568  -4.414  -3.161
  166   HD11  LEU  21          1HD1      LEU  21  -0.532  -5.105  -4.335
  167   HD12  LEU  21          2HD1      LEU  21  -1.707  -6.441  -4.340
  168   HD13  LEU  21          3HD1      LEU  21  -1.471  -5.459  -5.805
  169   HD21  LEU  21          3HD2      LEU  21  -2.995  -2.376  -4.439
  170   HD22  LEU  21          1HD2      LEU  21  -1.268  -2.780  -4.294
  171   HD23  LEU  21          2HD2      LEU  21  -2.128  -3.084  -5.822
  172    H    GLY  22           H        GLY  22  -5.809  -3.741  -6.671
  173    HA2  GLY  22           2HA      GLY  22  -5.385  -0.974  -6.778
  174    HA3  GLY  22           1HA      GLY  22  -6.538  -1.848  -7.759
  175    H    GLY  23           H        GLY  23  -8.521  -2.689  -6.035
  176    HA2  GLY  23           2HA      GLY  23 -10.051  -0.416  -5.298
  177    HA3  GLY  23           1HA      GLY  23 -10.302  -2.038  -4.724
  178    H    HIS  24           H        HIS  24  -7.766  -2.387  -3.324
  179    HA   HIS  24           HA       HIS  24  -8.585  -1.294  -0.862
  180    HB2  HIS  24           2HB      HIS  24  -7.655  -3.368  -0.778
  181    HB3  HIS  24           1HB      HIS  24  -6.237  -2.887  -1.761
  182    HD1  HIS  24           1HD      HIS  24  -6.944  -3.831   1.441
  183    HD2  HIS  24           2HD      HIS  24  -4.867  -0.586  -0.133
  184    HE1  HIS  24           1HE      HIS  24  -5.367  -2.969   3.357
  185    H    MET  25           H        MET  25  -5.915  -0.503  -3.132
  186    HA   MET  25           HA       MET  25  -4.717   1.710  -1.925
  187    HB2  MET  25           2HB      MET  25  -4.527   0.287  -4.248
  188    HB3  MET  25           1HB      MET  25  -5.228   1.831  -4.826
  189    HG2  MET  25           2HG      MET  25  -2.753   1.637  -3.112
  190    HG3  MET  25           1HG      MET  25  -2.737   1.680  -4.909
  191    HE1  MET  25           3HE      MET  25  -2.469   3.644  -6.213
  192    HE2  MET  25           1HE      MET  25  -1.896   5.137  -5.433
  193    HE3  MET  25           2HE      MET  25  -1.119   3.581  -5.055
  194    H    ASN  26           H        ASN  26  -7.629   1.678  -4.062
  195    HA   ASN  26           HA       ASN  26  -8.123   4.470  -3.932
  196    HB2  ASN  26           2HB      ASN  26  -9.085   2.630  -5.566
  197    HB3  ASN  26           1HB      ASN  26 -10.260   2.311  -4.308
  198   HD21  ASN  26          2HD2      ASN  26  -9.199   4.466  -6.804
  199   HD22  ASN  26          1HD2      ASN  26 -10.582   5.589  -6.709
  200    H    VAL  27           H        VAL  27  -9.332   1.824  -1.794
  201    HA   VAL  27           HA       VAL  27 -10.967   3.424  -0.198
  202    HB   VAL  27           HB       VAL  27 -10.806   0.937  -0.447
  203   HG11  VAL  27          1HG1      VAL  27  -9.953  -0.231   1.522
  204   HG12  VAL  27          2HG1      VAL  27  -8.627   0.490   0.578
  205   HG13  VAL  27          3HG1      VAL  27  -9.170   1.265   2.085
  206   HG21  VAL  27          3HG2      VAL  27 -12.572   2.136   0.559
  207   HG22  VAL  27          1HG2      VAL  27 -12.141   0.734   1.567
  208   HG23  VAL  27          2HG2      VAL  27 -11.631   2.369   2.051
  209    H    HIS  28           H        HIS  28  -7.421   3.420  -0.181
  210    HA   HIS  28           HA       HIS  28  -6.831   4.273   2.308
  211    HB2  HIS  28           2HB      HIS  28  -5.693   5.082  -0.332
  212    HB3  HIS  28           1HB      HIS  28  -5.018   5.609   1.241
  213    HD1  HIS  28           1HD      HIS  28  -5.551   2.880   2.642
  214    HD2  HIS  28           2HD      HIS  28  -3.558   3.422  -0.974
  215    HE1  HIS  28           1HE      HIS  28  -3.988   0.792   2.344
  216    H    ARG  29           H        ARG  29  -6.918   6.187   3.490
  217    HA   ARG  29           HA       ARG  29  -7.466   8.845   2.443
  218    HB2  ARG  29           2HB      ARG  29  -9.823   7.263   3.080
  219    HB3  ARG  29           1HB      ARG  29  -9.635   8.587   4.208
  220    HG2  ARG  29           2HG      ARG  29  -9.291  10.112   2.205
  221    HG3  ARG  29           1HG      ARG  29  -9.792   8.739   1.196
  222    HD2  ARG  29           2HD      ARG  29 -11.878   8.596   2.761
  223    HD3  ARG  29           1HD      ARG  29 -11.420  10.204   3.315
  224    HE   ARG  29           HE       ARG  29 -12.511   9.440   0.764
  225   HH11  ARG  29          2HH2      ARG  29 -10.641  12.064   2.290
  226   HH12  ARG  29          1HH2      ARG  29 -11.224  13.258   1.101
  227   HH21  ARG  29          2HH1      ARG  29 -13.204  10.985  -0.684
  228   HH22  ARG  29          1HH1      ARG  29 -12.627  12.666  -0.531
  229    H    ARG  30           H        ARG  30  -5.664   9.451   3.544
  230    HA   ARG  30           HA       ARG  30  -6.118   9.903   6.449
  231    HB2  ARG  30           2HB      ARG  30  -3.814   8.376   5.311
  232    HB3  ARG  30           1HB      ARG  30  -3.417   9.654   6.437
  233    HG2  ARG  30           2HG      ARG  30  -3.732   7.827   7.889
  234    HG3  ARG  30           1HG      ARG  30  -5.317   8.523   7.950
  235    HD2  ARG  30           2HD      ARG  30  -5.526   6.799   5.790
  236    HD3  ARG  30           1HD      ARG  30  -4.458   5.949   6.911
  237    HE   ARG  30           HE       ARG  30  -7.238   6.618   7.254
  238   HH11  ARG  30          2HH2      ARG  30  -4.329   5.938   9.193
  239   HH12  ARG  30          1HH2      ARG  30  -5.296   5.330  10.564
  240   HH21  ARG  30          2HH1      ARG  30  -8.395   5.799   9.010
  241   HH22  ARG  30          1HH1      ARG  30  -7.516   5.256  10.464
  242    H    ASP  31           H        ASP  31  -5.522  11.654   7.290
  243    HA   ASP  31           HA       ASP  31  -4.564  13.872   5.573
  244    HB2  ASP  31           2HB      ASP  31  -6.188  13.645   8.059
  245    HB3  ASP  31           1HB      ASP  31  -5.028  14.971   8.027
  246    H    ARG  32           H        ARG  32  -2.957  15.361   6.813
  247    HA   ARG  32           HA       ARG  32  -0.704  15.608   7.338
  248    HB2  ARG  32           2HB      ARG  32  -0.162  15.285   9.551
  249    HB3  ARG  32           1HB      ARG  32  -1.935  15.607   9.566
  250    HG2  ARG  32           2HG      ARG  32  -0.961  12.793   9.649
  251    HG3  ARG  32           1HG      ARG  32  -0.851  13.812  11.120
  252    HD2  ARG  32           2HD      ARG  32  -3.477  13.585   9.645
  253    HD3  ARG  32           1HD      ARG  32  -2.970  12.298  10.739
  254    HE   ARG  32           HE       ARG  32  -2.579  14.577  12.183
  255   HH11  ARG  32          2HH2      ARG  32  -5.427  13.504  10.358
  256   HH12  ARG  32          1HH2      ARG  32  -6.555  14.070  11.620
  257   HH21  ARG  32          2HH1      ARG  32  -4.047  15.324  13.725
  258   HH22  ARG  32          1HH1      ARG  32  -5.795  15.075  13.469
  259    H    ALA  33           H        ALA  33   1.021  13.825   8.769
  260    HA   ALA  33           HA       ALA  33   2.661  12.378   8.333
  261    HB1  ALA  33           1HB      ALA  33   2.068  10.193   7.451
  262    HB2  ALA  33           2HB      ALA  33   0.961  10.766   8.721
  263    HB3  ALA  33           3HB      ALA  33   0.459  10.817   7.014
  264    H    ARG  34           H        ARG  34   4.371  12.054   7.066
  265    HA   ARG  34           HA       ARG  34   4.205  12.230   4.149
  266    HB2  ARG  34           2HB      ARG  34   5.156  14.472   5.869
  267    HB3  ARG  34           1HB      ARG  34   6.251  13.993   4.557
  268    HG2  ARG  34           2HG      ARG  34   3.364  14.211   3.785
  269    HG3  ARG  34           1HG      ARG  34   4.143  15.728   4.205
  270    HD2  ARG  34           2HD      ARG  34   5.522  13.817   2.358
  271    HD3  ARG  34           1HD      ARG  34   4.188  14.866   1.772
  272    HE   ARG  34           HE       ARG  34   5.887  16.467   3.302
  273   HH11  ARG  34          2HH2      ARG  34   6.608  14.512   0.434
  274   HH12  ARG  34          1HH2      ARG  34   7.672  15.770  -0.251
  275   HH21  ARG  34          2HH1      ARG  34   7.286  17.986   2.434
  276   HH22  ARG  34          1HH1      ARG  34   8.049  17.676   0.851
  277    H    LEU  35           H        LEU  35   4.725  10.256   4.020
  278    HA   LEU  35           HA       LEU  35   6.068   8.386   3.750
  279    HB2  LEU  35           2HB      LEU  35   8.256  10.372   4.078
  280    HB3  LEU  35           1HB      LEU  35   8.473   8.620   3.747
  281    HG   LEU  35           HG       LEU  35   6.979   9.051   1.686
  282   HD11  LEU  35          1HD1      LEU  35   7.082  11.264   0.706
  283   HD12  LEU  35          2HD1      LEU  35   6.148  11.254   2.221
  284   HD13  LEU  35          3HD1      LEU  35   7.804  11.905   2.202
  285   HD21  LEU  35          3HD2      LEU  35   9.408   8.547   1.621
  286   HD22  LEU  35          1HD2      LEU  35   8.979   9.758   0.390
  287   HD23  LEU  35          2HD2      LEU  35   9.773  10.267   1.899
  288    H    ARG  36           H        ARG  36   6.706   6.668   4.922
  289    HA   ARG  36           HA       ARG  36   6.894   7.006   7.861
  290    HB2  ARG  36           2HB      ARG  36   6.029   4.926   6.008
  291    HB3  ARG  36           1HB      ARG  36   7.155   4.340   7.273
  292    HG2  ARG  36           2HG      ARG  36   5.669   5.696   8.949
  293    HG3  ARG  36           1HG      ARG  36   4.478   5.782   7.659
  294    HD2  ARG  36           2HD      ARG  36   4.024   3.514   7.727
  295    HD3  ARG  36           1HD      ARG  36   5.622   3.100   8.385
  296    HE   ARG  36           HE       ARG  36   3.260   3.779   9.847
  297   HH11  ARG  36          2HH2      ARG  36   6.808   3.965  10.089
  298   HH12  ARG  36          1HH2      ARG  36   6.759   4.122  11.865
  299   HH21  ARG  36          2HH1      ARG  36   3.274   3.946  12.111
  300   HH22  ARG  36          1HH1      ARG  36   4.830   4.110  12.968
  301    H    LEU  37           H        LEU  37   8.583   7.704   8.635
  302    HA   LEU  37           HA       LEU  37  10.979   6.015   8.460
  303    HB2  LEU  37           2HB      LEU  37  12.510   7.637   7.897
  304    HB3  LEU  37           1HB      LEU  37  11.199   7.668   6.661
  305    HG   LEU  37           HG       LEU  37  11.434   9.759   8.876
  306   HD11  LEU  37          1HD1      LEU  37  12.462  11.151   7.170
  307   HD12  LEU  37          2HD1      LEU  37  13.470   9.718   7.485
  308   HD13  LEU  37          3HD1      LEU  37  12.459   9.791   6.022
  309   HD21  LEU  37          3HD2      LEU  37   9.213   9.550   7.860
  310   HD22  LEU  37          1HD2      LEU  37  10.035  11.074   7.447
  311   HD23  LEU  37          2HD2      LEU  37   9.946   9.758   6.252
  312    HN1  NH2  38           3HN      NH2  38   9.654   6.388   8.781
  313    HN2  NH2  38           2HN      NH2  38  11.354   6.059   8.726
  Start of MODEL    3
    1    H1   ACE   0           2H1      ACE   0   6.125 -12.537 -14.044
    2    H2   ACE   0           3H1      ACE   0   7.180 -13.900 -13.602
    3    H3   ACE   0           1H1      ACE   0   5.428 -14.150 -13.776
    4    H    TRP   1           H        TRP   1   4.398 -11.990 -12.517
    5    HA   TRP   1           HA       TRP   1   5.383 -11.183 -10.028
    6    HB2  TRP   1           2HB      TRP   1   3.210 -10.761  -9.369
    7    HB3  TRP   1           1HB      TRP   1   3.100 -10.719 -11.157
    8    HD1  TRP   1           HD       TRP   1   2.370 -13.273 -12.131
    9    HE1  TRP   1           1HE      TRP   1   0.407 -14.867 -11.278
   10    HE3  TRP   1           3HE      TRP   1   2.037 -11.552  -7.442
   11    HZ2  TRP   1           2HZ      TRP   1  -0.991 -15.178  -8.827
   12    HZ3  TRP   1           3HZ      TRP   1   0.145 -12.015  -6.098
   13    HH2  TRP   1           HH       TRP   1  -1.401 -13.979  -6.669
   14    HA   PRO   2           HA       PRO   2   6.234 -15.329  -8.348
   15    HB2  PRO   2           2HB      PRO   2   8.144 -14.494  -6.613
   16    HB3  PRO   2           1HB      PRO   2   8.502 -14.756  -8.319
   17    HG2  PRO   2           2HG      PRO   2   7.867 -12.119  -6.906
   18    HG3  PRO   2           1HG      PRO   2   9.176 -12.459  -8.034
   19    HD2  PRO   2           1HD      PRO   2   6.765 -11.328  -8.907
   20    HD3  PRO   2           2HD      PRO   2   7.643 -12.537  -9.958
   21    HA   PRO   3           HA       PRO   3   3.676 -14.762  -4.701
   22    HB2  PRO   3           2HB      PRO   3   3.808 -17.229  -3.656
   23    HB3  PRO   3           1HB      PRO   3   2.943 -16.921  -5.161
   24    HG2  PRO   3           2HG      PRO   3   5.785 -18.001  -4.801
   25    HG3  PRO   3           1HG      PRO   3   4.508 -18.633  -5.838
   26    HD2  PRO   3           1HD      PRO   3   6.465 -16.850  -6.805
   27    HD3  PRO   3           2HD      PRO   3   4.755 -16.801  -7.447
   28    H    ARG   4           H        ARG   4   5.376 -13.180  -4.114
   29    HA   ARG   4           HA       ARG   4   6.637 -13.857  -1.555
   30    HB2  ARG   4           2HB      ARG   4   8.014 -12.915  -4.074
   31    HB3  ARG   4           1HB      ARG   4   8.611 -12.378  -2.473
   32    HG2  ARG   4           2HG      ARG   4   8.234 -15.237  -2.453
   33    HG3  ARG   4           1HG      ARG   4   9.228 -14.780  -3.851
   34    HD2  ARG   4           2HD      ARG   4  10.611 -13.343  -2.254
   35    HD3  ARG   4           1HD      ARG   4   9.727 -14.116  -0.922
   36    HE   ARG   4           HE       ARG   4  10.627 -16.177  -2.536
   37   HH11  ARG   4          2HH2      ARG   4  12.078 -13.783  -0.350
   38   HH12  ARG   4          1HH2      ARG   4  13.572 -14.740  -0.160
   39   HH21  ARG   4          2HH1      ARG   4  12.548 -17.347  -2.262
   40   HH22  ARG   4          1HH1      ARG   4  13.828 -16.689  -1.205
   41    H    SER   5           H        SER   5   7.769 -11.558  -0.834
   42    HA   SER   5           HA       SER   5   5.728  -9.585  -0.397
   43    HB2  SER   5           2HB      SER   5   7.556  -8.242   0.480
   44    HB3  SER   5           1HB      SER   5   7.534  -9.864   1.171
   45    HG   SER   5           HG       SER   5   9.644  -8.867   0.334
   46    H    TYR   6           H        TYR   6   5.424  -7.663  -1.096
   47    HA   TYR   6           HA       TYR   6   6.728  -6.742  -3.642
   48    HB2  TYR   6           1HB      TYR   6   3.957  -7.483  -3.222
   49    HB3  TYR   6           2HB      TYR   6   4.150  -6.029  -3.939
   50    HD1  TYR   6           1HD      TYR   6   5.317  -5.751  -6.086
   51    HD2  TYR   6           2HD      TYR   6   4.520  -9.594  -4.332
   52    HE1  TYR   6           1HE      TYR   6   5.768  -6.832  -8.263
   53    HE2  TYR   6           2HE      TYR   6   4.884 -10.676  -6.517
   54    HH   TYR   6           HH       TYR   6   6.111 -10.187  -8.824
   55    H    THR   7           H        THR   7   6.621  -4.623  -4.194
   56    HA   THR   7           HA       THR   7   6.467  -2.743  -1.925
   57    HB   THR   7           HB       THR   7   7.773  -2.282  -4.664
   58    HG1  THR   7           1HG      THR   7   9.751  -3.053  -3.435
   59   HG21  THR   7          3HG2      THR   7   8.458  -1.314  -1.877
   60   HG22  THR   7          1HG2      THR   7   9.290  -0.884  -3.391
   61   HG23  THR   7          2HG2      THR   7   7.605  -0.373  -3.125
   62    H    CYS   8           H        CYS   8   5.535  -0.525  -2.341
   63    HA   CYS   8           HA       CYS   8   3.302  -0.699  -4.223
   64    HB2  CYS   8           2HB      CYS   8   3.368   0.036  -1.582
   65    HB3  CYS   8           1HB      CYS   8   3.369   1.601  -2.420
   66    H    SER   9           H        SER   9   6.460   0.371  -4.153
   67    HA   SER   9           HA       SER   9   7.846   1.856  -5.206
   68    HB2  SER   9           2HB      SER   9   7.509   2.890  -7.060
   69    HB3  SER   9           1HB      SER   9   6.469   1.434  -7.168
   70    HG   SER   9           HG       SER   9   4.759   2.672  -7.420
   71    H    PHE  10           H        PHE  10   4.761   3.556  -4.650
   72    HA   PHE  10           HA       PHE  10   5.871   5.959  -3.902
   73    HB2  PHE  10           1HB      PHE  10   3.438   4.766  -4.312
   74    HB3  PHE  10           2HB      PHE  10   3.305   5.284  -2.769
   75    HD1  PHE  10           1HD      PHE  10   3.349   7.733  -2.200
   76    HD2  PHE  10           2HD      PHE  10   3.027   6.074  -6.143
   77    HE1  PHE  10           1HE      PHE  10   2.195   9.791  -2.975
   78    HE2  PHE  10           2HE      PHE  10   1.851   8.111  -6.913
   79    HZ   PHE  10           HZ       PHE  10   1.438   9.977  -5.331
   80    H    CYS  11           H        CYS  11   4.523   3.432  -1.484
   81    HA   CYS  11           HA       CYS  11   5.872   4.981   0.552
   82    HB2  CYS  11           2HB      CYS  11   4.922   3.343   2.102
   83    HB3  CYS  11           1HB      CYS  11   3.687   4.064   1.056
   84    H    LYS  12           H        LYS  12   7.307   3.194  -1.800
   85    HA   LYS  12           HA       LYS  12   8.466   1.025  -1.862
   86    HB2  LYS  12           2HB      LYS  12  10.721   1.683  -1.085
   87    HB3  LYS  12           1HB      LYS  12   9.952   2.875  -2.185
   88    HG2  LYS  12           2HG      LYS  12   9.624   4.434  -0.381
   89    HG3  LYS  12           1HG      LYS  12  10.015   3.235   0.839
   90    HD2  LYS  12           2HD      LYS  12  12.118   3.803  -1.218
   91    HD3  LYS  12           1HD      LYS  12  11.791   5.040  -0.004
   92    HE2  LYS  12           2HE      LYS  12  12.322   3.548   1.803
   93    HE3  LYS  12           1HE      LYS  12  12.289   2.134   0.749
   94    HZ1  LYS  12           3HZ      LYS  12  14.209   4.356   0.591
   95    HZ2  LYS  12           1HZ      LYS  12  14.497   2.825   1.225
   96    HZ3  LYS  12           2HZ      LYS  12  14.177   3.007  -0.415
   97    H    ARG  13           H        ARG  13   6.698   0.884   0.500
   98    HA   ARG  13           HA       ARG  13   8.292  -0.874   2.218
   99    HB2  ARG  13           2HB      ARG  13   5.563   0.427   2.334
  100    HB3  ARG  13           1HB      ARG  13   5.909  -0.990   3.338
  101    HG2  ARG  13           2HG      ARG  13   7.563   0.095   4.552
  102    HG3  ARG  13           1HG      ARG  13   7.847   1.312   3.264
  103    HD2  ARG  13           2HD      ARG  13   6.859   2.514   4.970
  104    HD3  ARG  13           1HD      ARG  13   5.503   2.160   3.840
  105    HE   ARG  13           HE       ARG  13   4.420   1.208   5.528
  106   HH11  ARG  13          2HH2      ARG  13   7.831   0.897   6.507
  107   HH12  ARG  13          1HH2      ARG  13   7.377   0.412   8.163
  108   HH21  ARG  13          2HH1      ARG  13   3.932   0.610   7.640
  109   HH22  ARG  13          1HH1      ARG  13   5.259   0.255   8.778
  110    H    GLU  14           H        GLU  14   8.483  -2.775   2.159
  111    HA   GLU  14           HA       GLU  14   7.240  -4.644   0.355
  112    HB2  GLU  14           2HB      GLU  14   8.501  -6.339   1.664
  113    HB3  GLU  14           1HB      GLU  14   9.521  -5.049   1.131
  114    HG2  GLU  14           2HG      GLU  14   9.865  -4.241   3.243
  115    HG3  GLU  14           1HG      GLU  14   8.319  -4.837   3.862
  116    H    PHE  15           H        PHE  15   5.342  -5.389   0.404
  117    HA   PHE  15           HA       PHE  15   3.975  -6.049   2.971
  118    HB2  PHE  15           1HB      PHE  15   2.847  -5.552   0.285
  119    HB3  PHE  15           2HB      PHE  15   1.993  -5.842   1.646
  120    HD1  PHE  15           1HD      PHE  15   4.090  -3.394  -0.048
  121    HD2  PHE  15           2HD      PHE  15   1.291  -4.138   3.126
  122    HE1  PHE  15           1HE      PHE  15   3.775  -0.970   0.233
  123    HE2  PHE  15           2HE      PHE  15   1.016  -1.695   3.446
  124    HZ   PHE  15           HZ       PHE  15   2.329  -0.108   2.049
  125    H    ARG  16           H        ARG  16   2.429  -7.921   2.723
  126    HA   ARG  16           HA       ARG  16   3.670 -10.137   1.189
  127    HB2  ARG  16           2HB      ARG  16   2.629 -11.565   3.082
  128    HB3  ARG  16           1HB      ARG  16   3.796 -10.440   3.693
  129    HG2  ARG  16           2HG      ARG  16   2.071  -8.936   4.431
  130    HG3  ARG  16           1HG      ARG  16   0.822  -9.950   3.672
  131    HD2  ARG  16           2HD      ARG  16   0.892 -11.491   5.342
  132    HD3  ARG  16           1HD      ARG  16   2.667 -11.444   5.432
  133    HE   ARG  16           HE       ARG  16   1.558  -9.017   6.432
  134   HH11  ARG  16          2HH2      ARG  16   1.889 -12.416   7.384
  135   HH12  ARG  16          1HH2      ARG  16   1.926 -12.018   9.124
  136   HH21  ARG  16          2HH1      ARG  16   1.642  -8.556   8.659
  137   HH22  ARG  16          1HH1      ARG  16   1.789  -9.900   9.821
  138    H    SER  17           H        SER  17   1.881  -8.546  -0.257
  139    HA   SER  17           HA       SER  17  -0.443 -10.305  -0.644
  140    HB2  SER  17           2HB      SER  17  -0.793  -7.332  -0.005
  141    HB3  SER  17           1HB      SER  17  -2.063  -8.440  -0.480
  142    HG   SER  17           HG       SER  17  -2.031  -8.161   1.789
  143    H    ALA  18           H        ALA  18  -1.741  -9.446  -2.587
  144    HA   ALA  18           HA       ALA  18  -0.055  -7.894  -4.540
  145    HB1  ALA  18           1HB      ALA  18  -1.102  -9.124  -6.291
  146    HB2  ALA  18           2HB      ALA  18  -0.200 -10.187  -5.182
  147    HB3  ALA  18           3HB      ALA  18  -1.977 -10.117  -5.100
  148    H    GLN  19           H        GLN  19  -3.546  -8.815  -4.349
  149    HA   GLN  19           HA       GLN  19  -4.536  -6.479  -5.486
  150    HB2  GLN  19           2HB      GLN  19  -5.662  -8.794  -4.893
  151    HB3  GLN  19           1HB      GLN  19  -6.087  -7.982  -3.374
  152    HG2  GLN  19           2HG      GLN  19  -6.810  -6.042  -5.239
  153    HG3  GLN  19           1HG      GLN  19  -7.163  -7.497  -6.130
  154   HE21  GLN  19          2HE2      GLN  19  -9.303  -7.428  -6.139
  155   HE22  GLN  19          1HE2      GLN  19 -10.304  -7.505  -4.664
  156    H    ALA  20           H        ALA  20  -4.178  -7.111  -1.939
  157    HA   ALA  20           HA       ALA  20  -5.002  -4.690  -0.891
  158    HB1  ALA  20           1HB      ALA  20  -3.496  -5.051   0.909
  159    HB2  ALA  20           2HB      ALA  20  -4.343  -6.550   0.456
  160    HB3  ALA  20           3HB      ALA  20  -2.644  -6.309  -0.018
  161    H    LEU  21           H        LEU  21  -1.884  -5.239  -2.653
  162    HA   LEU  21           HA       LEU  21  -0.845  -2.628  -1.959
  163    HB2  LEU  21           2HB      LEU  21   0.135  -4.821  -3.794
  164    HB3  LEU  21           1HB      LEU  21   0.827  -3.215  -3.854
  165    HG   LEU  21           HG       LEU  21   0.989  -3.516  -1.249
  166   HD11  LEU  21          1HD1      LEU  21   1.435  -5.835  -0.624
  167   HD12  LEU  21          2HD1      LEU  21  -0.251  -5.589  -1.132
  168   HD13  LEU  21          3HD1      LEU  21   0.905  -6.370  -2.235
  169   HD21  LEU  21          3HD2      LEU  21   2.845  -3.195  -2.858
  170   HD22  LEU  21          1HD2      LEU  21   3.262  -4.440  -1.656
  171   HD23  LEU  21          2HD2      LEU  21   2.765  -4.917  -3.297
  172    H    GLY  22           H        GLY  22  -2.214  -4.137  -5.019
  173    HA2  GLY  22           2HA      GLY  22  -2.173  -1.946  -6.693
  174    HA3  GLY  22           1HA      GLY  22  -3.477  -3.134  -6.651
  175    H    GLY  23           H        GLY  23  -4.822  -2.784  -4.355
  176    HA2  GLY  23           2HA      GLY  23  -6.285  -0.325  -4.485
  177    HA3  GLY  23           1HA      GLY  23  -6.306  -1.458  -3.170
  178    H    HIS  24           H        HIS  24  -3.507  -1.286  -2.365
  179    HA   HIS  24           HA       HIS  24  -3.849   0.908  -0.634
  180    HB2  HIS  24           2HB      HIS  24  -2.849  -0.945   0.256
  181    HB3  HIS  24           1HB      HIS  24  -1.666  -1.075  -1.084
  182    HD1  HIS  24           1HD      HIS  24  -1.672  -0.380   2.242
  183    HD2  HIS  24           2HD      HIS  24  -0.126   1.672  -1.032
  184    HE1  HIS  24           1HE      HIS  24   0.205   1.195   3.183
  185    H    MET  25           H        MET  25  -1.752   0.363  -3.534
  186    HA   MET  25           HA       MET  25  -0.398   2.821  -3.685
  187    HB2  MET  25           2HB      MET  25  -0.534   0.488  -5.171
  188    HB3  MET  25           1HB      MET  25  -1.287   1.655  -6.242
  189    HG2  MET  25           2HG      MET  25   1.215   2.456  -4.839
  190    HG3  MET  25           1HG      MET  25   1.300   1.277  -6.194
  191    HE1  MET  25           3HE      MET  25   0.427   1.780  -8.584
  192    HE2  MET  25           1HE      MET  25   1.248   3.209  -9.255
  193    HE3  MET  25           2HE      MET  25   2.152   2.058  -8.243
  194    H    ASN  26           H        ASN  26  -3.631   1.952  -5.050
  195    HA   ASN  26           HA       ASN  26  -4.214   4.519  -6.070
  196    HB2  ASN  26           2HB      ASN  26  -5.412   2.202  -6.473
  197    HB3  ASN  26           1HB      ASN  26  -6.288   2.535  -4.996
  198   HD21  ASN  26          2HD2      ASN  26  -7.743   4.319  -4.889
  199   HD22  ASN  26          1HD2      ASN  26  -8.386   5.023  -6.397
  200    H    VAL  27           H        VAL  27  -4.767   3.261  -2.727
  201    HA   VAL  27           HA       VAL  27  -6.116   5.560  -1.819
  202    HB   VAL  27           HB       VAL  27  -5.998   3.267  -0.852
  203   HG11  VAL  27          1HG1      VAL  27  -4.706   3.085   1.213
  204   HG12  VAL  27          2HG1      VAL  27  -3.638   3.126  -0.210
  205   HG13  VAL  27          3HG1      VAL  27  -3.822   4.574   0.807
  206   HG21  VAL  27          3HG2      VAL  27  -7.488   4.986  -0.213
  207   HG22  VAL  27          1HG2      VAL  27  -6.828   4.187   1.234
  208   HG23  VAL  27          2HG2      VAL  27  -6.225   5.790   0.751
  209    H    HIS  28           H        HIS  28  -2.684   5.277  -2.573
  210    HA   HIS  28           HA       HIS  28  -1.595   7.168  -0.964
  211    HB2  HIS  28           2HB      HIS  28  -1.020   6.464  -3.807
  212    HB3  HIS  28           1HB      HIS  28  -0.040   7.620  -2.849
  213    HD1  HIS  28           1HD      HIS  28  -0.350   5.935  -0.215
  214    HD2  HIS  28           2HD      HIS  28   1.014   4.550  -3.896
  215    HE1  HIS  28           1HE      HIS  28   1.139   3.832   0.295
  216    H    ARG  29           H        ARG  29  -0.741   9.363  -1.899
  217    HA   ARG  29           HA       ARG  29  -1.079  11.570  -2.420
  218    HB2  ARG  29           2HB      ARG  29  -1.882  10.394  -4.708
  219    HB3  ARG  29           1HB      ARG  29  -3.457  10.899  -4.192
  220    HG2  ARG  29           2HG      ARG  29  -2.104  13.212  -3.816
  221    HG3  ARG  29           1HG      ARG  29  -1.189  12.489  -5.149
  222    HD2  ARG  29           2HD      ARG  29  -2.839  13.448  -6.402
  223    HD3  ARG  29           1HD      ARG  29  -3.706  11.947  -5.997
  224    HE   ARG  29           HE       ARG  29  -5.093  13.129  -4.591
  225   HH11  ARG  29          2HH2      ARG  29  -2.354  15.236  -5.412
  226   HH12  ARG  29          1HH2      ARG  29  -3.090  16.660  -4.627
  227   HH21  ARG  29          2HH1      ARG  29  -6.014  15.004  -3.640
  228   HH22  ARG  29          1HH1      ARG  29  -5.093  16.531  -3.659
  229    H    ARG  30           H        ARG  30  -1.552  12.505  -0.655
  230    HA   ARG  30           HA       ARG  30  -2.628  13.173   1.297
  231    HB2  ARG  30           2HB      ARG  30  -4.751  13.720  -0.798
  232    HB3  ARG  30           1HB      ARG  30  -4.753  14.349   0.867
  233    HG2  ARG  30           2HG      ARG  30  -2.305  15.204   0.228
  234    HG3  ARG  30           1HG      ARG  30  -2.877  15.045  -1.420
  235    HD2  ARG  30           2HD      ARG  30  -4.420  16.633  -1.223
  236    HD3  ARG  30           1HD      ARG  30  -4.553  16.423   0.583
  237    HE   ARG  30           HE       ARG  30  -1.889  17.116  -0.272
  238   HH11  ARG  30          2HH2      ARG  30  -4.940  18.823   0.387
  239   HH12  ARG  30          1HH2      ARG  30  -4.086  20.327   0.825
  240   HH21  ARG  30          2HH1      ARG  30  -0.869  19.009   0.320
  241   HH22  ARG  30          1HH1      ARG  30  -1.841  20.430   0.787
  242    H    ASP  31           H        ASP  31  -2.436  11.349   2.351
  243    HA   ASP  31           HA       ASP  31  -4.100   9.239   2.564
  244    HB2  ASP  31           2HB      ASP  31  -2.491  10.701   4.596
  245    HB3  ASP  31           1HB      ASP  31  -3.546   9.336   5.087
  246    H    ARG  32           H        ARG  32  -4.694  12.346   4.294
  247    HA   ARG  32           HA       ARG  32  -6.435  13.152   5.533
  248    HB2  ARG  32           2HB      ARG  32  -7.582  12.034   2.991
  249    HB3  ARG  32           1HB      ARG  32  -8.738  12.391   4.260
  250    HG2  ARG  32           2HG      ARG  32  -6.646  14.407   3.431
  251    HG3  ARG  32           1HG      ARG  32  -8.203  14.241   2.591
  252    HD2  ARG  32           2HD      ARG  32  -9.420  14.671   4.713
  253    HD3  ARG  32           1HD      ARG  32  -7.905  14.741   5.602
  254    HE   ARG  32           HE       ARG  32  -7.656  16.614   3.595
  255   HH11  ARG  32          2HH2      ARG  32 -10.157  16.090   6.052
  256   HH12  ARG  32          1HH2      ARG  32 -10.364  17.839   6.347
  257   HH21  ARG  32          2HH1      ARG  32  -8.006  18.840   3.963
  258   HH22  ARG  32          1HH1      ARG  32  -9.189  19.344   5.201
  259    H    ALA  33           H        ALA  33  -7.955  10.058   4.807
  260    HA   ALA  33           HA       ALA  33  -7.909   9.432   7.682
  261    HB1  ALA  33           1HB      ALA  33 -10.248   8.695   7.629
  262    HB2  ALA  33           2HB      ALA  33 -10.085  10.445   7.352
  263    HB3  ALA  33           3HB      ALA  33 -10.414   9.354   5.986
  264    H    ARG  34           H        ARG  34  -6.078   8.152   6.761
  265    HA   ARG  34           HA       ARG  34  -6.764   5.976   4.898
  266    HB2  ARG  34           2HB      ARG  34  -4.530   7.496   4.887
  267    HB3  ARG  34           1HB      ARG  34  -4.003   6.440   6.149
  268    HG2  ARG  34           2HG      ARG  34  -5.048   5.282   3.606
  269    HG3  ARG  34           1HG      ARG  34  -3.395   5.960   3.733
  270    HD2  ARG  34           2HD      ARG  34  -3.826   4.225   5.961
  271    HD3  ARG  34           1HD      ARG  34  -4.326   3.369   4.479
  272    HE   ARG  34           HE       ARG  34  -2.154   3.499   3.659
  273   HH11  ARG  34          2HH2      ARG  34  -2.275   5.199   6.776
  274   HH12  ARG  34          1HH2      ARG  34  -0.500   5.368   6.846
  275   HH21  ARG  34          2HH1      ARG  34   0.097   3.710   3.819
  276   HH22  ARG  34          1HH1      ARG  34   0.798   4.551   5.227
  277    H    LEU  35           H        LEU  35  -8.244   5.055   6.164
  278    HA   LEU  35           HA       LEU  35  -9.118   3.351   7.475
  279    HB2  LEU  35           2HB      LEU  35  -6.669   2.400   6.884
  280    HB3  LEU  35           1HB      LEU  35  -6.759   2.326   8.676
  281    HG   LEU  35           HG       LEU  35  -7.541   0.203   7.743
  282   HD11  LEU  35          1HD1      LEU  35  -9.683  -0.018   8.716
  283   HD12  LEU  35          2HD1      LEU  35  -8.549   0.862   9.766
  284   HD13  LEU  35          3HD1      LEU  35  -9.814   1.750   8.884
  285   HD21  LEU  35          3HD2      LEU  35  -8.185   1.007   5.500
  286   HD22  LEU  35          1HD2      LEU  35  -9.489   0.081   6.282
  287   HD23  LEU  35          2HD2      LEU  35  -9.576   1.857   6.214
  288    H    ARG  36           H        ARG  36 -10.294   4.192   8.993
  289    HA   ARG  36           HA       ARG  36  -8.998   5.341  11.382
  290    HB2  ARG  36           2HB      ARG  36 -10.618   6.612   9.484
  291    HB3  ARG  36           1HB      ARG  36 -11.760   6.187  10.801
  292    HG2  ARG  36           2HG      ARG  36 -10.981   8.440  11.257
  293    HG3  ARG  36           1HG      ARG  36 -10.150   7.415  12.394
  294    HD2  ARG  36           2HD      ARG  36  -8.118   7.539  11.223
  295    HD3  ARG  36           1HD      ARG  36  -8.905   8.168   9.755
  296    HE   ARG  36           HE       ARG  36  -9.107  10.260  10.744
  297   HH11  ARG  36          2HH2      ARG  36  -7.340   8.102  12.932
  298   HH12  ARG  36          1HH2      ARG  36  -6.956   9.430  14.062
  299   HH21  ARG  36          2HH1      ARG  36  -8.562  11.909  12.178
  300   HH22  ARG  36          1HH1      ARG  36  -7.623  11.519  13.645
  301    H    LEU  37           H        LEU  37  -9.818   4.530  13.329
  302    HA   LEU  37           HA       LEU  37 -10.898   3.249  14.834
  303    HB2  LEU  37           2HB      LEU  37 -13.318   3.842  13.098
  304    HB3  LEU  37           1HB      LEU  37 -13.382   3.185  14.709
  305    HG   LEU  37           HG       LEU  37 -11.781   5.672  14.394
  306   HD11  LEU  37          1HD1      LEU  37 -13.820   7.037  14.392
  307   HD12  LEU  37          2HD1      LEU  37 -13.689   6.076  12.899
  308   HD13  LEU  37          3HD1      LEU  37 -14.810   5.571  14.186
  309   HD21  LEU  37          3HD2      LEU  37 -12.112   4.569  16.582
  310   HD22  LEU  37          1HD2      LEU  37 -12.894   6.165  16.528
  311   HD23  LEU  37          2HD2      LEU  37 -13.876   4.690  16.371
  312    HN1  NH2  38           3HN      NH2  38 -10.203   1.442  11.858
  313    HN2  NH2  38           2HN      NH2  38  -9.485   2.154  13.265
  Start of MODEL    4
    1    H1   ACE   0           2H1      ACE   0   8.198  -9.689 -13.365
    2    H2   ACE   0           3H1      ACE   0   9.705  -8.750 -13.250
    3    H3   ACE   0           1H1      ACE   0   9.622 -10.386 -12.555
    4    H    TRP   1           H        TRP   1   9.255 -10.587 -10.510
    5    HA   TRP   1           HA       TRP   1   9.002  -8.370  -8.738
    6    HB2  TRP   1           2HB      TRP   1   6.514  -9.016 -10.014
    7    HB3  TRP   1           1HB      TRP   1   6.434  -9.446  -8.277
    8    HD1  TRP   1           HD       TRP   1   8.532  -6.522  -9.224
    9    HE1  TRP   1           1HE      TRP   1   7.439  -4.277  -8.283
   10    HE3  TRP   1           3HE      TRP   1   4.263  -8.479  -7.494
   11    HZ2  TRP   1           2HZ      TRP   1   4.996  -3.637  -6.985
   12    HZ3  TRP   1           3HZ      TRP   1   2.405  -7.103  -6.984
   13    HH2  TRP   1           HH       TRP   1   2.728  -4.598  -6.551
   14    HA   PRO   2           HA       PRO   2  10.386 -11.755  -6.283
   15    HB2  PRO   2           2HB      PRO   2  10.378 -10.520  -3.841
   16    HB3  PRO   2           1HB      PRO   2  11.595 -10.146  -5.062
   17    HG2  PRO   2           2HG      PRO   2   9.015  -8.628  -4.437
   18    HG3  PRO   2           1HG      PRO   2  10.636  -7.972  -4.644
   19    HD2  PRO   2           1HD      PRO   2   8.824  -8.035  -6.775
   20    HD3  PRO   2           2HD      PRO   2  10.596  -8.363  -7.077
   21    HA   PRO   3           HA       PRO   3   6.525 -13.435  -4.651
   22    HB2  PRO   3           2HB      PRO   3   7.409 -15.479  -3.143
   23    HB3  PRO   3           1HB      PRO   3   7.547 -15.518  -4.900
   24    HG2  PRO   3           2HG      PRO   3   9.688 -14.740  -2.855
   25    HG3  PRO   3           1HG      PRO   3   9.838 -15.857  -4.209
   26    HD2  PRO   3           1HD      PRO   3  10.581 -13.148  -4.444
   27    HD3  PRO   3           2HD      PRO   3   9.820 -14.024  -5.860
   28    H    ARG   4           H        ARG   4   6.026 -14.497  -2.173
   29    HA   ARG   4           HA       ARG   4   5.422 -14.077  -0.027
   30    HB2  ARG   4           2HB      ARG   4   7.902 -12.259   0.067
   31    HB3  ARG   4           1HB      ARG   4   7.042 -12.894   1.452
   32    HG2  ARG   4           2HG      ARG   4   7.814 -15.130   1.043
   33    HG3  ARG   4           1HG      ARG   4   8.292 -14.770  -0.595
   34    HD2  ARG   4           2HD      ARG   4  10.340 -14.723   0.452
   35    HD3  ARG   4           1HD      ARG   4   9.928 -13.026   0.605
   36    HE   ARG   4           HE       ARG   4   8.884 -14.341   2.832
   37   HH11  ARG   4          2HH2      ARG   4  12.017 -13.318   1.511
   38   HH12  ARG   4          1HH2      ARG   4  12.823 -13.438   3.098
   39   HH21  ARG   4          2HH1      ARG   4   9.964 -14.462   4.836
   40   HH22  ARG   4          1HH1      ARG   4  11.701 -14.060   4.914
   41    H    SER   5           H        SER   5   5.732 -11.430   1.387
   42    HA   SER   5           HA       SER   5   3.231 -10.208   0.571
   43    HB2  SER   5           2HB      SER   5   3.961  -8.518   2.287
   44    HB3  SER   5           1HB      SER   5   3.776 -10.166   2.886
   45    HG   SER   5           HG       SER   5   5.804  -8.844   3.435
   46    H    TYR   6           H        TYR   6   2.826  -8.339  -0.364
   47    HA   TYR   6           HA       TYR   6   5.107  -7.077  -1.921
   48    HB2  TYR   6           1HB      TYR   6   2.304  -7.535  -2.744
   49    HB3  TYR   6           2HB      TYR   6   3.371  -6.633  -3.588
   50    HD1  TYR   6           1HD      TYR   6   2.526 -10.046  -2.588
   51    HD2  TYR   6           2HD      TYR   6   5.083  -7.527  -4.946
   52    HE1  TYR   6           1HE      TYR   6   3.224 -12.006  -3.912
   53    HE2  TYR   6           2HE      TYR   6   5.825  -9.480  -6.229
   54    HH   TYR   6           HH       TYR   6   5.742 -12.107  -6.258
   55    H    THR   7           H        THR   7   5.060  -4.937  -2.474
   56    HA   THR   7           HA       THR   7   4.090  -3.128  -0.390
   57    HB   THR   7           HB       THR   7   5.342  -1.432  -1.702
   58    HG1  THR   7           1HG      THR   7   6.662  -2.320  -3.456
   59   HG21  THR   7          3HG2      THR   7   6.917  -3.971  -1.209
   60   HG22  THR   7          1HG2      THR   7   7.566  -2.321  -1.360
   61   HG23  THR   7          2HG2      THR   7   6.519  -2.743   0.016
   62    H    CYS   8           H        CYS   8   2.853  -1.170  -0.887
   63    HA   CYS   8           HA       CYS   8   0.790  -1.688  -2.895
   64    HB2  CYS   8           2HB      CYS   8   0.587  -0.987  -0.251
   65    HB3  CYS   8           1HB      CYS   8   0.369   0.565  -1.083
   66    H    SER   9           H        SER   9   3.732  -0.210  -2.809
   67    HA   SER   9           HA       SER   9   4.893   1.566  -3.697
   68    HB2  SER   9           2HB      SER   9   4.461   2.583  -5.521
   69    HB3  SER   9           1HB      SER   9   3.694   0.974  -5.706
   70    HG   SER   9           HG       SER   9   1.752   1.876  -5.870
   71    H    PHE  10           H        PHE  10   1.555   2.809  -3.264
   72    HA   PHE  10           HA       PHE  10   2.229   5.330  -2.406
   73    HB2  PHE  10           1HB      PHE  10   0.002   3.763  -2.768
   74    HB3  PHE  10           2HB      PHE  10  -0.140   4.261  -1.219
   75    HD1  PHE  10           1HD      PHE  10  -0.109   5.263  -4.659
   76    HD2  PHE  10           2HD      PHE  10  -0.927   6.424  -0.614
   77    HE1  PHE  10           1HE      PHE  10  -1.555   7.095  -5.484
   78    HE2  PHE  10           2HE      PHE  10  -2.376   8.266  -1.437
   79    HZ   PHE  10           HZ       PHE  10  -2.690   8.599  -3.875
   80    H    CYS  11           H        CYS  11   1.672   2.405  -0.183
   81    HA   CYS  11           HA       CYS  11   2.777   4.188   1.885
   82    HB2  CYS  11           2HB      CYS  11   1.773   2.490   3.481
   83    HB3  CYS  11           1HB      CYS  11   0.639   3.544   2.614
   84    H    LYS  12           H        LYS  12   4.210   2.464  -0.316
   85    HA   LYS  12           HA       LYS  12   5.156   0.274  -0.600
   86    HB2  LYS  12           2HB      LYS  12   7.431   0.678   0.060
   87    HB3  LYS  12           1HB      LYS  12   6.716   2.280  -0.302
   88    HG2  LYS  12           2HG      LYS  12   6.381   2.638   2.120
   89    HG3  LYS  12           1HG      LYS  12   7.198   1.076   2.437
   90    HD2  LYS  12           2HD      LYS  12   9.198   2.041   1.217
   91    HD3  LYS  12           1HD      LYS  12   8.367   3.622   1.318
   92    HE2  LYS  12           2HE      LYS  12   8.198   3.294   3.848
   93    HE3  LYS  12           1HE      LYS  12   9.138   1.825   3.700
   94    HZ1  LYS  12           3HZ      LYS  12  10.029   4.515   2.956
   95    HZ2  LYS  12           1HZ      LYS  12  10.454   3.647   4.332
   96    HZ3  LYS  12           2HZ      LYS  12  10.932   3.103   2.815
   97    H    ARG  13           H        ARG  13   3.210   0.012   1.619
   98    HA   ARG  13           HA       ARG  13   4.567  -1.648   3.512
   99    HB2  ARG  13           2HB      ARG  13   2.342   0.076   3.500
  100    HB3  ARG  13           1HB      ARG  13   1.580  -1.503   3.541
  101    HG2  ARG  13           2HG      ARG  13   3.851  -1.174   5.465
  102    HG3  ARG  13           1HG      ARG  13   2.452  -0.193   5.783
  103    HD2  ARG  13           2HD      ARG  13   2.275  -3.188   5.334
  104    HD3  ARG  13           1HD      ARG  13   2.468  -2.430   6.908
  105    HE   ARG  13           HE       ARG  13   0.105  -2.646   5.360
  106   HH11  ARG  13          2HH2      ARG  13   1.601  -0.490   7.777
  107   HH12  ARG  13          1HH2      ARG  13   0.021   0.178   8.266
  108   HH21  ARG  13          2HH1      ARG  13  -1.860  -1.777   6.065
  109   HH22  ARG  13          1HH1      ARG  13  -1.862  -0.524   7.335
  110    H    GLU  14           H        GLU  14   4.744  -3.623   3.649
  111    HA   GLU  14           HA       GLU  14   4.140  -5.483   1.509
  112    HB2  GLU  14           2HB      GLU  14   5.452  -5.734   4.216
  113    HB3  GLU  14           1HB      GLU  14   5.298  -7.047   3.052
  114    HG2  GLU  14           2HG      GLU  14   6.865  -6.113   1.595
  115    HG3  GLU  14           1HG      GLU  14   6.470  -4.465   2.031
  116    H    PHE  15           H        PHE  15   2.175  -6.071   1.132
  117    HA   PHE  15           HA       PHE  15   0.510  -7.224   3.313
  118    HB2  PHE  15           1HB      PHE  15  -0.032  -6.172   0.624
  119    HB3  PHE  15           2HB      PHE  15  -1.089  -7.199   1.326
  120    HD1  PHE  15           1HD      PHE  15   0.230  -3.829   1.356
  121    HD2  PHE  15           2HD      PHE  15  -2.447  -6.635   3.206
  122    HE1  PHE  15           1HE      PHE  15  -0.783  -1.997   2.690
  123    HE2  PHE  15           2HE      PHE  15  -3.397  -4.821   4.598
  124    HZ   PHE  15           HZ       PHE  15  -2.407  -2.548   4.492
  125    H    ARG  16           H        ARG  16   0.257  -9.305   3.559
  126    HA   ARG  16           HA       ARG  16   1.047 -11.275   1.534
  127    HB2  ARG  16           2HB      ARG  16  -0.072 -11.442   4.378
  128    HB3  ARG  16           1HB      ARG  16   0.034 -12.850   3.374
  129    HG2  ARG  16           2HG      ARG  16   2.486 -12.148   3.032
  130    HG3  ARG  16           1HG      ARG  16   2.179 -11.169   4.514
  131    HD2  ARG  16           2HD      ARG  16   1.269 -13.241   5.643
  132    HD3  ARG  16           1HD      ARG  16   1.638 -14.188   4.205
  133    HE   ARG  16           HE       ARG  16   3.942 -12.810   5.184
  134   HH11  ARG  16          2HH2      ARG  16   2.097 -15.827   5.351
  135   HH12  ARG  16          1HH2      ARG  16   3.362 -16.659   6.295
  136   HH21  ARG  16          2HH1      ARG  16   5.557 -13.929   6.331
  137   HH22  ARG  16          1HH1      ARG  16   5.263 -15.617   6.829
  138    H    SER  17           H        SER  17  -0.787  -9.668   0.316
  139    HA   SER  17           HA       SER  17  -3.270 -11.280   0.168
  140    HB2  SER  17           2HB      SER  17  -3.112  -8.260   0.678
  141    HB3  SER  17           1HB      SER  17  -4.581  -9.119   0.210
  142    HG   SER  17           HG       SER  17  -3.073  -9.971   2.491
  143    H    ALA  18           H        ALA  18  -3.813 -11.609  -1.936
  144    HA   ALA  18           HA       ALA  18  -2.717 -10.063  -4.098
  145    HB1  ALA  18           1HB      ALA  18  -4.164 -11.376  -5.494
  146    HB2  ALA  18           2HB      ALA  18  -3.218 -12.369  -4.359
  147    HB3  ALA  18           3HB      ALA  18  -4.944 -12.065  -4.050
  148    H    GLN  19           H        GLN  19  -6.252 -10.524  -3.691
  149    HA   GLN  19           HA       GLN  19  -7.012  -7.996  -4.675
  150    HB2  GLN  19           2HB      GLN  19  -8.327 -10.347  -3.556
  151    HB3  GLN  19           1HB      GLN  19  -9.076  -8.862  -2.971
  152    HG2  GLN  19           2HG      GLN  19 -10.189  -9.434  -5.042
  153    HG3  GLN  19           1HG      GLN  19  -9.155  -8.071  -5.420
  154   HE21  GLN  19          2HE2      GLN  19  -9.727 -11.484  -5.806
  155   HE22  GLN  19          1HE2      GLN  19  -8.547 -11.739  -7.118
  156    H    ALA  20           H        ALA  20  -6.859  -8.861  -1.157
  157    HA   ALA  20           HA       ALA  20  -7.577  -6.289  -0.314
  158    HB1  ALA  20           1HB      ALA  20  -6.768  -7.001   1.858
  159    HB2  ALA  20           2HB      ALA  20  -7.834  -8.185   1.066
  160    HB3  ALA  20           3HB      ALA  20  -6.075  -8.458   1.107
  161    H    LEU  21           H        LEU  21  -4.585  -7.075  -1.869
  162    HA   LEU  21           HA       LEU  21  -3.298  -4.658  -0.813
  163    HB2  LEU  21           2HB      LEU  21  -2.179  -6.906  -1.359
  164    HB3  LEU  21           1HB      LEU  21  -2.400  -6.431  -3.078
  165    HG   LEU  21           HG       LEU  21  -0.927  -4.715  -1.092
  166   HD11  LEU  21          1HD1      LEU  21   1.121  -5.854  -2.055
  167   HD12  LEU  21          2HD1      LEU  21   0.061  -7.024  -1.233
  168   HD13  LEU  21          3HD1      LEU  21   0.054  -6.912  -3.009
  169   HD21  LEU  21          3HD2      LEU  21  -1.551  -3.594  -3.188
  170   HD22  LEU  21          1HD2      LEU  21   0.210  -3.825  -3.075
  171   HD23  LEU  21          2HD2      LEU  21  -0.762  -4.888  -4.120
  172    H    GLY  22           H        GLY  22  -4.305  -5.989  -4.124
  173    HA2  GLY  22           2HA      GLY  22  -4.115  -3.644  -5.626
  174    HA3  GLY  22           1HA      GLY  22  -5.271  -4.911  -5.932
  175    H    GLY  23           H        GLY  23  -7.050  -4.820  -3.848
  176    HA2  GLY  23           2HA      GLY  23  -8.690  -2.513  -4.216
  177    HA3  GLY  23           1HA      GLY  23  -8.836  -3.707  -2.952
  178    H    HIS  24           H        HIS  24  -6.215  -3.299  -1.644
  179    HA   HIS  24           HA       HIS  24  -6.956  -1.124  -0.018
  180    HB2  HIS  24           2HB      HIS  24  -5.867  -2.857   1.006
  181    HB3  HIS  24           1HB      HIS  24  -4.536  -2.861  -0.194
  182    HD1  HIS  24           1HD      HIS  24  -5.044  -2.102   3.102
  183    HD2  HIS  24           2HD      HIS  24  -3.268  -0.008  -0.029
  184    HE1  HIS  24           1HE      HIS  24  -3.453  -0.328   4.210
  185    H    MET  25           H        MET  25  -4.480  -1.513  -2.612
  186    HA   MET  25           HA       MET  25  -3.384   1.046  -2.770
  187    HB2  MET  25           2HB      MET  25  -3.214  -1.356  -4.059
  188    HB3  MET  25           1HB      MET  25  -4.031  -0.338  -5.289
  189    HG2  MET  25           2HG      MET  25  -1.495   0.500  -3.903
  190    HG3  MET  25           1HG      MET  25  -1.509  -0.500  -5.396
  191    HE1  MET  25           3HE      MET  25  -1.155   0.406  -7.533
  192    HE2  MET  25           1HE      MET  25  -0.728   2.121  -7.741
  193    HE3  MET  25           2HE      MET  25   0.095   1.143  -6.502
  194    H    ASN  26           H        ASN  26  -6.326  -0.179  -4.488
  195    HA   ASN  26           HA       ASN  26  -7.057   2.300  -5.622
  196    HB2  ASN  26           2HB      ASN  26  -7.909  -0.130  -6.147
  197    HB3  ASN  26           1HB      ASN  26  -9.015   0.096  -4.805
  198   HD21  ASN  26          2HD2      ASN  26 -10.965   0.413  -5.613
  199   HD22  ASN  26          1HD2      ASN  26 -11.358   1.563  -6.919
  200    H    VAL  27           H        VAL  27  -7.939   1.059  -2.352
  201    HA   VAL  27           HA       VAL  27  -9.664   3.181  -1.728
  202    HB   VAL  27           HB       VAL  27  -9.356   0.974  -0.624
  203   HG11  VAL  27          1HG1      VAL  27  -8.270   1.045   1.566
  204   HG12  VAL  27          2HG1      VAL  27  -7.076   1.176   0.253
  205   HG13  VAL  27          3HG1      VAL  27  -7.552   2.624   1.172
  206   HG21  VAL  27          3HG2      VAL  27 -11.114   2.500  -0.231
  207   HG22  VAL  27          1HG2      VAL  27 -10.518   1.851   1.316
  208   HG23  VAL  27          2HG2      VAL  27 -10.079   3.502   0.815
  209    H    HIS  28           H        HIS  28  -6.146   3.347  -2.063
  210    HA   HIS  28           HA       HIS  28  -5.534   5.431  -0.420
  211    HB2  HIS  28           2HB      HIS  28  -4.504   4.720  -3.134
  212    HB3  HIS  28           1HB      HIS  28  -3.809   6.007  -2.098
  213    HD1  HIS  28           1HD      HIS  28  -4.225   4.381   0.540
  214    HD2  HIS  28           2HD      HIS  28  -2.297   3.036  -2.897
  215    HE1  HIS  28           1HE      HIS  28  -2.585   2.482   1.311
  216    H    ARG  29           H        ARG  29  -6.667   7.320  -0.172
  217    HA   ARG  29           HA       ARG  29  -6.634   9.361  -2.261
  218    HB2  ARG  29           2HB      ARG  29  -9.171   9.621  -2.236
  219    HB3  ARG  29           1HB      ARG  29  -8.671   8.151  -3.024
  220    HG2  ARG  29           2HG      ARG  29  -8.964   7.199  -0.514
  221    HG3  ARG  29           1HG      ARG  29 -10.128   8.537  -0.485
  222    HD2  ARG  29           2HD      ARG  29 -11.171   7.706  -2.532
  223    HD3  ARG  29           1HD      ARG  29  -9.974   6.375  -2.607
  224    HE   ARG  29           HE       ARG  29 -10.965   6.091  -0.120
  225   HH11  ARG  29          2HH2      ARG  29 -12.405   5.950  -3.336
  226   HH12  ARG  29          1HH2      ARG  29 -13.859   5.090  -2.763
  227   HH21  ARG  29          2HH1      ARG  29 -12.853   5.018   0.602
  228   HH22  ARG  29          1HH1      ARG  29 -14.105   4.574  -0.589
  229    H    ARG  30           H        ARG  30  -5.200   9.824  -0.263
  230    HA   ARG  30           HA       ARG  30  -4.821  10.808   1.795
  231    HB2  ARG  30           2HB      ARG  30  -5.224  12.664   0.189
  232    HB3  ARG  30           1HB      ARG  30  -6.963  12.631   0.623
  233    HG2  ARG  30           2HG      ARG  30  -6.281  13.205   2.995
  234    HG3  ARG  30           1HG      ARG  30  -4.632  13.435   2.412
  235    HD2  ARG  30           2HD      ARG  30  -5.518  15.110   0.761
  236    HD3  ARG  30           1HD      ARG  30  -7.109  14.956   1.552
  237    HE   ARG  30           HE       ARG  30  -4.774  15.547   3.232
  238   HH11  ARG  30          2HH2      ARG  30  -8.075  16.425   2.393
  239   HH12  ARG  30          1HH2      ARG  30  -7.992  17.957   3.304
  240   HH21  ARG  30          2HH1      ARG  30  -4.709  17.462   4.406
  241   HH22  ARG  30          1HH1      ARG  30  -6.144  18.521   4.417
  242    H    ASP  31           H        ASP  31  -5.531   9.077   3.068
  243    HA   ASP  31           HA       ASP  31  -8.247   8.959   4.108
  244    HB2  ASP  31           2HB      ASP  31  -6.564   7.081   3.734
  245    HB3  ASP  31           1HB      ASP  31  -5.897   7.595   5.316
  246    H    ARG  32           H        ARG  32  -5.136   9.455   5.904
  247    HA   ARG  32           HA       ARG  32  -6.461  11.557   7.518
  248    HB2  ARG  32           2HB      ARG  32  -4.766  10.999   9.191
  249    HB3  ARG  32           1HB      ARG  32  -5.679   9.530   8.697
  250    HG2  ARG  32           2HG      ARG  32  -3.577   8.614   8.708
  251    HG3  ARG  32           1HG      ARG  32  -3.507   9.290   7.087
  252    HD2  ARG  32           2HD      ARG  32  -1.955  10.857   7.678
  253    HD3  ARG  32           1HD      ARG  32  -2.723  11.198   9.227
  254    HE   ARG  32           HE       ARG  32  -0.529   9.502   8.760
  255   HH11  ARG  32          2HH2      ARG  32  -3.400   9.683  10.854
  256   HH12  ARG  32          1HH2      ARG  32  -2.668   8.620  12.085
  257   HH21  ARG  32          2HH1      ARG  32   0.351   8.174  10.375
  258   HH22  ARG  32          1HH1      ARG  32  -0.621   7.798  11.824
  259    H    ALA  33           H        ALA  33  -3.704  11.112   5.409
  260    HA   ALA  33           HA       ALA  33  -3.389  14.008   5.197
  261    HB1  ALA  33           1HB      ALA  33  -0.960  13.872   5.541
  262    HB2  ALA  33           2HB      ALA  33  -1.838  13.421   7.022
  263    HB3  ALA  33           3HB      ALA  33  -1.111  12.159   6.000
  264    H    ARG  34           H        ARG  34  -2.258  14.606   3.332
  265    HA   ARG  34           HA       ARG  34  -2.543  12.851   1.060
  266    HB2  ARG  34           2HB      ARG  34  -3.080  15.280   1.022
  267    HB3  ARG  34           1HB      ARG  34  -1.374  15.652   1.427
  268    HG2  ARG  34           2HG      ARG  34  -1.422  16.007  -0.914
  269    HG3  ARG  34           1HG      ARG  34  -0.862  14.356  -0.833
  270    HD2  ARG  34           2HD      ARG  34  -2.643  13.577  -1.858
  271    HD3  ARG  34           1HD      ARG  34  -3.767  14.540  -0.844
  272    HE   ARG  34           HE       ARG  34  -2.778  15.215  -3.465
  273   HH11  ARG  34          2HH2      ARG  34  -4.048  16.687  -0.492
  274   HH12  ARG  34          1HH2      ARG  34  -4.253  18.280  -1.269
  275   HH21  ARG  34          2HH1      ARG  34  -3.086  17.258  -4.405
  276   HH22  ARG  34          1HH1      ARG  34  -3.729  18.590  -3.409
  277    H    LEU  35           H        LEU  35  -1.066  11.271   0.897
  278    HA   LEU  35           HA       LEU  35   0.939  10.121   0.582
  279    HB2  LEU  35           2HB      LEU  35   2.022  12.885   0.066
  280    HB3  LEU  35           1HB      LEU  35   2.961  11.423  -0.057
  281    HG   LEU  35           HG       LEU  35   0.352  11.553  -1.522
  282   HD11  LEU  35          1HD1      LEU  35   1.521  12.638  -3.399
  283   HD12  LEU  35          2HD1      LEU  35   1.462  13.709  -1.979
  284   HD13  LEU  35          3HD1      LEU  35   2.967  12.850  -2.384
  285   HD21  LEU  35          3HD2      LEU  35   1.685   9.465  -1.476
  286   HD22  LEU  35          1HD2      LEU  35   1.646  10.174  -3.108
  287   HD23  LEU  35          2HD2      LEU  35   3.097  10.355  -2.093
  288    H    ARG  36           H        ARG  36   1.769   8.969   2.114
  289    HA   ARG  36           HA       ARG  36   3.455  10.102   4.174
  290    HB2  ARG  36           2HB      ARG  36   0.766  10.226   4.853
  291    HB3  ARG  36           1HB      ARG  36   1.086   8.597   5.342
  292    HG2  ARG  36           2HG      ARG  36   1.485   9.808   7.260
  293    HG3  ARG  36           1HG      ARG  36   3.116   9.609   6.641
  294    HD2  ARG  36           2HD      ARG  36   3.392  11.789   6.422
  295    HD3  ARG  36           1HD      ARG  36   1.860  11.964   5.508
  296    HE   ARG  36           HE       ARG  36   1.304  11.447   8.243
  297   HH11  ARG  36          2HH2      ARG  36   2.432  14.196   6.282
  298   HH12  ARG  36          1HH2      ARG  36   1.839  15.379   7.479
  299   HH21  ARG  36          2HH1      ARG  36   0.508  12.981   9.660
  300   HH22  ARG  36          1HH1      ARG  36   0.783  14.712   9.329
  301    H    LEU  37           H        LEU  37   5.011   8.681   3.389
  302    HA   LEU  37           HA       LEU  37   4.595   5.866   3.049
  303    HB2  LEU  37           2HB      LEU  37   6.989   5.716   2.822
  304    HB3  LEU  37           1HB      LEU  37   6.244   6.973   1.783
  305    HG   LEU  37           HG       LEU  37   7.115   8.153   4.277
  306   HD11  LEU  37          1HD1      LEU  37   9.521   7.804   4.055
  307   HD12  LEU  37          2HD1      LEU  37   8.674   6.282   4.423
  308   HD13  LEU  37          3HD1      LEU  37   9.238   6.609   2.767
  309   HD21  LEU  37          3HD2      LEU  37   6.728   9.339   2.140
  310   HD22  LEU  37          1HD2      LEU  37   8.391   9.580   2.728
  311   HD23  LEU  37          2HD2      LEU  37   8.073   8.438   1.400
  312    HN1  NH2  38           3HN      NH2  38   3.963   6.050   3.657
  313    HN2  NH2  38           2HN      NH2  38   4.569   7.570   4.224
  Start of MODEL    5
    1    H1   ACE   0           2H1      ACE   0  -1.034 -10.968 -14.449
    2    H2   ACE   0           3H1      ACE   0  -0.222 -12.552 -14.473
    3    H3   ACE   0           1H1      ACE   0  -1.865 -12.404 -13.805
    4    H    TRP   1           H        TRP   1   1.541 -11.796 -13.347
    5    HA   TRP   1           HA       TRP   1   2.773 -11.371 -11.409
    6    HB2  TRP   1           2HB      TRP   1   0.211  -9.983 -10.590
    7    HB3  TRP   1           1HB      TRP   1   1.765  -9.911  -9.701
    8    HD1  TRP   1           HD       TRP   1   1.445  -9.591 -13.459
    9    HE1  TRP   1           1HE      TRP   1   2.434  -7.229 -14.222
   10    HE3  TRP   1           3HE      TRP   1   2.549  -7.781  -8.925
   11    HZ2  TRP   1           2HZ      TRP   1   3.496  -4.977 -12.860
   12    HZ3  TRP   1           3HZ      TRP   1   2.956  -5.471  -8.594
   13    HH2  TRP   1           HH       TRP   1   3.589  -3.969 -10.570
   14    HA   PRO   2           HA       PRO   2   1.886 -14.954  -8.985
   15    HB2  PRO   2           2HB      PRO   2   3.754 -14.678  -7.062
   16    HB3  PRO   2           1HB      PRO   2   4.208 -15.062  -8.722
   17    HG2  PRO   2           2HG      PRO   2   4.217 -12.330  -7.345
   18    HG3  PRO   2           1HG      PRO   2   5.494 -13.061  -8.312
   19    HD2  PRO   2           1HD      PRO   2   3.642 -11.297  -9.453
   20    HD3  PRO   2           2HD      PRO   2   4.250 -12.730 -10.405
   21    HA   PRO   3           HA       PRO   3  -0.863 -13.725  -5.772
   22    HB2  PRO   3           2HB      PRO   3  -1.080 -16.038  -4.325
   23    HB3  PRO   3           1HB      PRO   3  -1.819 -15.844  -5.913
   24    HG2  PRO   3           2HG      PRO   3   0.874 -17.129  -5.229
   25    HG3  PRO   3           1HG      PRO   3  -0.404 -17.774  -6.255
   26    HD2  PRO   3           1HD      PRO   3   1.752 -16.352  -7.348
   27    HD3  PRO   3           2HD      PRO   3   0.076 -16.151  -8.051
   28    H    ARG   4           H        ARG   4   2.425 -14.405  -5.153
   29    HA   ARG   4           HA       ARG   4   2.619 -14.312  -2.352
   30    HB2  ARG   4           2HB      ARG   4   4.336 -14.641  -4.489
   31    HB3  ARG   4           1HB      ARG   4   4.713 -12.969  -4.043
   32    HG2  ARG   4           2HG      ARG   4   4.783 -13.954  -1.598
   33    HG3  ARG   4           1HG      ARG   4   5.057 -15.497  -2.467
   34    HD2  ARG   4           2HD      ARG   4   6.734 -13.008  -2.845
   35    HD3  ARG   4           1HD      ARG   4   7.133 -14.335  -1.710
   36    HE   ARG   4           HE       ARG   4   6.745 -15.137  -4.470
   37   HH11  ARG   4          2HH2      ARG   4   9.124 -14.185  -2.007
   38   HH12  ARG   4          1HH2      ARG   4  10.491 -14.821  -2.960
   39   HH21  ARG   4          2HH1      ARG   4   8.541 -15.972  -5.620
   40   HH22  ARG   4          1HH1      ARG   4  10.174 -15.794  -4.925
   41    H    SER   5           H        SER   5   4.091 -12.274  -1.470
   42    HA   SER   5           HA       SER   5   2.265 -10.229  -0.773
   43    HB2  SER   5           2HB      SER   5   4.765 -11.065  -0.036
   44    HB3  SER   5           1HB      SER   5   5.055  -9.457  -0.781
   45    HG   SER   5           HG       SER   5   3.067 -10.094   1.232
   46    H    TYR   6           H        TYR   6   1.580  -8.493  -1.512
   47    HA   TYR   6           HA       TYR   6   2.702  -7.410  -4.110
   48    HB2  TYR   6           1HB      TYR   6  -0.038  -7.577  -3.050
   49    HB3  TYR   6           2HB      TYR   6   0.350  -6.492  -4.207
   50    HD1  TYR   6           1HD      TYR   6   1.039  -7.150  -6.458
   51    HD2  TYR   6           2HD      TYR   6  -0.460  -9.909  -3.529
   52    HE1  TYR   6           1HE      TYR   6   0.309  -8.661  -8.266
   53    HE2  TYR   6           2HE      TYR   6  -1.145 -11.452  -5.318
   54    HH   TYR   6           HH       TYR   6  -0.839 -10.643  -8.868
   55    H    THR   7           H        THR   7   2.616  -5.240  -4.558
   56    HA   THR   7           HA       THR   7   3.367  -3.538  -2.276
   57    HB   THR   7           HB       THR   7   3.670  -3.030  -5.304
   58    HG1  THR   7           1HG      THR   7   5.228  -4.632  -3.508
   59   HG21  THR   7          3HG2      THR   7   5.286  -2.067  -2.946
   60   HG22  THR   7          1HG2      THR   7   5.558  -1.699  -4.665
   61   HG23  THR   7          2HG2      THR   7   4.092  -1.104  -3.849
   62    H    CYS   8           H        CYS   8   2.515  -1.299  -2.096
   63    HA   CYS   8           HA       CYS   8  -0.212  -1.111  -3.140
   64    HB2  CYS   8           2HB      CYS   8   0.762  -0.767  -0.595
   65    HB3  CYS   8           1HB      CYS   8   0.605   0.897  -1.187
   66    H    SER   9           H        SER   9   2.941  -0.095  -3.832
   67    HA   SER   9           HA       SER   9   4.033   1.501  -5.054
   68    HB2  SER   9           2HB      SER   9   3.250   2.722  -6.629
   69    HB3  SER   9           1HB      SER   9   2.182   1.284  -6.607
   70    HG   SER   9           HG       SER   9   0.508   2.546  -6.310
   71    H    PHE  10           H        PHE  10   1.251   3.161  -3.542
   72    HA   PHE  10           HA       PHE  10   2.518   5.478  -2.822
   73    HB2  PHE  10           1HB      PHE  10   0.111   4.152  -2.418
   74    HB3  PHE  10           2HB      PHE  10   0.564   4.673  -0.939
   75    HD1  PHE  10           2HD      PHE  10   1.208   7.258  -0.766
   76    HD2  PHE  10           1HD      PHE  10  -1.440   5.330  -3.528
   77    HE1  PHE  10           2HE      PHE  10  -0.075   9.372  -1.022
   78    HE2  PHE  10           1HE      PHE  10  -2.796   7.389  -3.688
   79    HZ   PHE  10           HZ       PHE  10  -2.092   9.434  -2.469
   80    H    CYS  11           H        CYS  11   2.374   2.441  -0.684
   81    HA   CYS  11           HA       CYS  11   4.343   3.913   0.938
   82    HB2  CYS  11           2HB      CYS  11   3.755   2.202   2.707
   83    HB3  CYS  11           1HB      CYS  11   2.524   3.425   2.344
   84    H    LYS  12           H        LYS  12   4.779   2.288  -1.711
   85    HA   LYS  12           HA       LYS  12   5.239  -0.076  -2.312
   86    HB2  LYS  12           2HB      LYS  12   7.623   0.021  -2.504
   87    HB3  LYS  12           1HB      LYS  12   6.920   1.641  -2.872
   88    HG2  LYS  12           2HG      LYS  12   8.142   1.033  -0.207
   89    HG3  LYS  12           1HG      LYS  12   9.143   1.489  -1.621
   90    HD2  LYS  12           2HD      LYS  12   7.703   3.593  -1.798
   91    HD3  LYS  12           1HD      LYS  12   7.013   3.165  -0.233
   92    HE2  LYS  12           2HE      LYS  12   9.354   3.160   0.739
   93    HE3  LYS  12           1HE      LYS  12   9.964   3.715  -0.809
   94    HZ1  LYS  12           3HZ      LYS  12   7.988   5.105   0.857
   95    HZ2  LYS  12           1HZ      LYS  12   9.616   5.490   0.684
   96    HZ3  LYS  12           2HZ      LYS  12   8.573   5.637  -0.627
   97    H    ARG  13           H        ARG  13   4.336  -0.213   0.498
   98    HA   ARG  13           HA       ARG  13   5.895  -2.388   1.536
   99    HB2  ARG  13           2HB      ARG  13   3.520  -0.751   2.331
  100    HB3  ARG  13           1HB      ARG  13   3.580  -2.402   2.967
  101    HG2  ARG  13           2HG      ARG  13   5.538  -2.033   4.145
  102    HG3  ARG  13           1HG      ARG  13   6.041  -0.678   3.085
  103    HD2  ARG  13           2HD      ARG  13   5.505   0.251   5.192
  104    HD3  ARG  13           1HD      ARG  13   4.151   0.651   4.084
  105    HE   ARG  13           HE       ARG  13   4.099  -1.220   6.355
  106   HH11  ARG  13          2HH2      ARG  13   2.303   0.438   3.794
  107   HH12  ARG  13          1HH2      ARG  13   0.752   0.303   4.665
  108   HH21  ARG  13          2HH1      ARG  13   2.075  -1.435   7.400
  109   HH22  ARG  13          1HH1      ARG  13   0.627  -0.724   6.640
  110    H    GLU  14           H        GLU  14   5.615  -4.354   1.724
  111    HA   GLU  14           HA       GLU  14   4.024  -5.784  -0.296
  112    HB2  GLU  14           2HB      GLU  14   6.324  -6.490   1.537
  113    HB3  GLU  14           1HB      GLU  14   5.433  -7.705   0.623
  114    HG2  GLU  14           2HG      GLU  14   6.072  -6.729  -1.481
  115    HG3  GLU  14           1HG      GLU  14   6.665  -5.260  -0.706
  116    H    PHE  15           H        PHE  15   2.079  -6.276   0.144
  117    HA   PHE  15           HA       PHE  15   1.235  -7.141   2.876
  118    HB2  PHE  15           1HB      PHE  15  -0.394  -6.367   0.546
  119    HB3  PHE  15           2HB      PHE  15  -0.941  -6.707   2.046
  120    HD1  PHE  15           2HD      PHE  15   1.007  -4.274   0.116
  121    HD2  PHE  15           1HD      PHE  15  -1.197  -5.079   3.716
  122    HE1  PHE  15           2HE      PHE  15   1.337  -1.936   0.833
  123    HE2  PHE  15           1HE      PHE  15  -0.833  -2.740   4.448
  124    HZ   PHE  15           HZ       PHE  15   0.370  -1.150   2.955
  125    H    ARG  16           H        ARG  16   0.748  -9.140   3.247
  126    HA   ARG  16           HA       ARG  16   0.692 -11.123   1.169
  127    HB2  ARG  16           2HB      ARG  16   1.523 -10.932   3.794
  128    HB3  ARG  16           1HB      ARG  16  -0.070 -11.723   4.025
  129    HG2  ARG  16           2HG      ARG  16   2.045 -12.910   2.163
  130    HG3  ARG  16           1HG      ARG  16   2.001 -13.303   3.847
  131    HD2  ARG  16           2HD      ARG  16  -0.604 -13.708   3.140
  132    HD3  ARG  16           1HD      ARG  16   0.303 -14.173   1.671
  133    HE   ARG  16           HE       ARG  16   0.238 -15.546   4.182
  134   HH11  ARG  16          2HH2      ARG  16   2.291 -15.137   1.316
  135   HH12  ARG  16          1HH2      ARG  16   3.367 -16.476   1.799
  136   HH21  ARG  16          2HH1      ARG  16   1.600 -17.250   4.724
  137   HH22  ARG  16          1HH1      ARG  16   2.984 -17.639   3.667
  138    H    SER  17           H        SER  17  -1.262  -9.522   0.480
  139    HA   SER  17           HA       SER  17  -3.901 -10.667   1.108
  140    HB2  SER  17           2HB      SER  17  -3.040  -7.924   2.052
  141    HB3  SER  17           1HB      SER  17  -4.736  -8.383   1.774
  142    HG   SER  17           HG       SER  17  -3.167 -10.189   3.312
  143    H    ALA  18           H        ALA  18  -5.546  -9.903  -0.155
  144    HA   ALA  18           HA       ALA  18  -4.761  -8.426  -2.645
  145    HB1  ALA  18           1HB      ALA  18  -6.483  -9.662  -3.768
  146    HB2  ALA  18           2HB      ALA  18  -5.237 -10.727  -3.076
  147    HB3  ALA  18           3HB      ALA  18  -6.821 -10.575  -2.279
  148    H    GLN  19           H        GLN  19  -7.938  -9.186  -1.082
  149    HA   GLN  19           HA       GLN  19  -9.183  -6.789  -1.701
  150    HB2  GLN  19           2HB      GLN  19 -10.267  -8.973  -0.860
  151    HB3  GLN  19           1HB      GLN  19  -9.717  -8.580   0.750
  152    HG2  GLN  19           2HG      GLN  19 -11.000  -6.256   0.075
  153    HG3  GLN  19           1HG      GLN  19 -11.951  -7.468  -0.802
  154   HE21  GLN  19          2HE2      GLN  19 -13.150  -9.022   0.340
  155   HE22  GLN  19          1HE2      GLN  19 -13.357  -8.942   2.110
  156    H    ALA  20           H        ALA  20  -7.854  -7.618   1.579
  157    HA   ALA  20           HA       ALA  20  -7.959  -5.219   2.783
  158    HB1  ALA  20           1HB      ALA  20  -6.068  -5.964   4.149
  159    HB2  ALA  20           2HB      ALA  20  -7.270  -7.249   3.879
  160    HB3  ALA  20           3HB      ALA  20  -5.739  -7.258   2.971
  161    H    LEU  21           H        LEU  21  -5.629  -6.009   0.192
  162    HA   LEU  21           HA       LEU  21  -3.896  -3.674   0.658
  163    HB2  LEU  21           2HB      LEU  21  -3.190  -5.967  -0.171
  164    HB3  LEU  21           1HB      LEU  21  -3.980  -5.503  -1.714
  165    HG   LEU  21           HG       LEU  21  -1.847  -3.814  -0.422
  166   HD11  LEU  21          1HD1      LEU  21  -0.296  -5.052  -2.010
  167   HD12  LEU  21          2HD1      LEU  21  -1.037  -6.173  -0.843
  168   HD13  LEU  21          3HD1      LEU  21  -1.663  -6.077  -2.507
  169   HD21  LEU  21          3HD2      LEU  21  -3.087  -2.714  -2.230
  170   HD22  LEU  21          1HD2      LEU  21  -1.400  -3.033  -2.698
  171   HD23  LEU  21          2HD2      LEU  21  -2.707  -4.067  -3.322
  172    H    GLY  22           H        GLY  22  -6.177  -4.787  -2.012
  173    HA2  GLY  22           2HA      GLY  22  -6.207  -2.488  -3.559
  174    HA3  GLY  22           1HA      GLY  22  -7.588  -3.554  -3.340
  175    H    GLY  23           H        GLY  23  -8.361  -3.223  -0.726
  176    HA2  GLY  23           2HA      GLY  23  -9.575  -0.657  -0.452
  177    HA3  GLY  23           1HA      GLY  23  -9.357  -1.830   0.814
  178    H    HIS  24           H        HIS  24  -6.400  -1.895   0.789
  179    HA   HIS  24           HA       HIS  24  -6.106   0.191   2.658
  180    HB2  HIS  24           2HB      HIS  24  -5.016  -1.750   3.139
  181    HB3  HIS  24           1HB      HIS  24  -4.278  -1.863   1.510
  182    HD1  HIS  24           1HD      HIS  24  -3.287  -1.360   4.727
  183    HD2  HIS  24           2HD      HIS  24  -2.596   0.785   1.226
  184    HE1  HIS  24           1HE      HIS  24  -1.115   0.053   5.147
  185    H    MET  25           H        MET  25  -4.904  -0.297  -0.686
  186    HA   MET  25           HA       MET  25  -3.482   2.060  -1.175
  187    HB2  MET  25           2HB      MET  25  -4.168  -0.182  -2.520
  188    HB3  MET  25           1HB      MET  25  -5.306   0.989  -3.259
  189    HG2  MET  25           2HG      MET  25  -2.323   1.410  -3.078
  190    HG3  MET  25           1HG      MET  25  -3.157   0.664  -4.484
  191    HE1  MET  25           3HE      MET  25  -3.571   1.863  -6.466
  192    HE2  MET  25           1HE      MET  25  -3.013   3.541  -6.665
  193    HE3  MET  25           2HE      MET  25  -1.907   2.306  -6.017
  194    H    ASN  26           H        ASN  26  -7.030   1.482  -1.563
  195    HA   ASN  26           HA       ASN  26  -7.648   4.148  -2.364
  196    HB2  ASN  26           2HB      ASN  26  -9.101   1.976  -2.602
  197    HB3  ASN  26           1HB      ASN  26  -9.535   2.203  -0.928
  198   HD21  ASN  26          2HD2      ASN  26 -11.682   2.467  -1.421
  199   HD22  ASN  26          1HD2      ASN  26 -12.293   3.964  -2.175
  200    H    VAL  27           H        VAL  27  -7.458   2.739   0.943
  201    HA   VAL  27           HA       VAL  27  -8.405   4.968   2.316
  202    HB   VAL  27           HB       VAL  27  -7.864   2.604   3.065
  203   HG11  VAL  27          1HG1      VAL  27  -6.074   2.511   4.724
  204   HG12  VAL  27          2HG1      VAL  27  -5.417   2.685   3.080
  205   HG13  VAL  27          3HG1      VAL  27  -5.463   4.088   4.173
  206   HG21  VAL  27          3HG2      VAL  27  -9.274   4.187   4.149
  207   HG22  VAL  27          1HG2      VAL  27  -8.194   3.427   5.341
  208   HG23  VAL  27          2HG2      VAL  27  -7.868   5.082   4.773
  209    H    HIS  28           H        HIS  28  -5.301   4.721   0.601
  210    HA   HIS  28           HA       HIS  28  -3.776   6.553   1.933
  211    HB2  HIS  28           2HB      HIS  28  -3.975   5.931  -0.986
  212    HB3  HIS  28           1HB      HIS  28  -2.733   6.999  -0.260
  213    HD1  HIS  28           1HD      HIS  28  -2.366   5.248   2.282
  214    HD2  HIS  28           2HD      HIS  28  -2.216   3.890  -1.650
  215    HE1  HIS  28           1HE      HIS  28  -0.919   3.055   2.316
  216    H    ARG  29           H        ARG  29  -5.963   7.273  -0.854
  217    HA   ARG  29           HA       ARG  29  -6.630   9.258  -1.742
  218    HB2  ARG  29           2HB      ARG  29  -7.926   8.322   0.635
  219    HB3  ARG  29           1HB      ARG  29  -7.784  10.040   0.919
  220    HG2  ARG  29           2HG      ARG  29  -8.910   8.976  -1.679
  221    HG3  ARG  29           1HG      ARG  29  -9.900   9.204  -0.235
  222    HD2  ARG  29           2HD      ARG  29  -9.929  11.437  -0.466
  223    HD3  ARG  29           1HD      ARG  29  -8.189  11.515  -0.849
  224    HE   ARG  29           HE       ARG  29  -9.550  10.305  -3.005
  225   HH11  ARG  29          2HH2      ARG  29  -9.552  13.503  -1.478
  226   HH12  ARG  29          1HH2      ARG  29  -9.796  14.349  -3.029
  227   HH21  ARG  29          2HH1      ARG  29  -9.879  11.425  -4.966
  228   HH22  ARG  29          1HH1      ARG  29  -9.977  13.206  -4.946
  229    H    ARG  30           H        ARG  30  -4.653  10.229  -2.200
  230    HA   ARG  30           HA       ARG  30  -2.691  11.509  -1.833
  231    HB2  ARG  30           2HB      ARG  30  -5.153  13.185  -1.885
  232    HB3  ARG  30           1HB      ARG  30  -3.660  13.968  -1.337
  233    HG2  ARG  30           2HG      ARG  30  -3.051  14.162  -3.573
  234    HG3  ARG  30           1HG      ARG  30  -2.909  12.441  -3.654
  235    HD2  ARG  30           2HD      ARG  30  -4.381  12.793  -5.334
  236    HD3  ARG  30           1HD      ARG  30  -5.545  12.564  -4.033
  237    HE   ARG  30           HE       ARG  30  -4.972  15.253  -3.997
  238   HH11  ARG  30          2HH2      ARG  30  -6.473  12.969  -6.261
  239   HH12  ARG  30          1HH2      ARG  30  -7.360  14.261  -7.115
  240   HH21  ARG  30          2HH1      ARG  30  -6.128  16.867  -5.133
  241   HH22  ARG  30          1HH1      ARG  30  -7.172  16.388  -6.498
  242    H    ASP  31           H        ASP  31  -1.991  10.211  -0.181
  243    HA   ASP  31           HA       ASP  31  -1.854  11.392   2.439
  244    HB2  ASP  31           2HB      ASP  31  -0.706   8.995   1.157
  245    HB3  ASP  31           1HB      ASP  31  -0.031   9.612   2.701
  246    H    ARG  32           H        ARG  32   0.895  10.637   0.219
  247    HA   ARG  32           HA       ARG  32   3.012  11.424   0.055
  248    HB2  ARG  32           2HB      ARG  32   1.540  13.275  -1.107
  249    HB3  ARG  32           1HB      ARG  32   1.722  14.209   0.340
  250    HG2  ARG  32           2HG      ARG  32   4.204  14.095   0.058
  251    HG3  ARG  32           1HG      ARG  32   3.931  13.282  -1.490
  252    HD2  ARG  32           2HD      ARG  32   2.435  15.248  -2.137
  253    HD3  ARG  32           1HD      ARG  32   3.020  16.070  -0.680
  254    HE   ARG  32           HE       ARG  32   4.943  15.011  -2.646
  255   HH11  ARG  32          2HH2      ARG  32   3.913  17.756  -0.651
  256   HH12  ARG  32          1HH2      ARG  32   5.107  18.849  -1.401
  257   HH21  ARG  32          2HH1      ARG  32   6.440  16.427  -3.547
  258   HH22  ARG  32          1HH1      ARG  32   6.494  18.119  -2.984
  259    H    ALA  33           H        ALA  33   3.812  10.443   1.828
  260    HA   ALA  33           HA       ALA  33   4.638  10.131   3.910
  261    HB1  ALA  33           1HB      ALA  33   6.374  11.706   4.495
  262    HB2  ALA  33           2HB      ALA  33   6.403  11.200   2.789
  263    HB3  ALA  33           3HB      ALA  33   5.782  12.809   3.230
  264    H    ARG  34           H        ARG  34   2.722   9.977   5.118
  265    HA   ARG  34           HA       ARG  34   1.839  12.388   6.626
  266    HB2  ARG  34           2HB      ARG  34  -0.281  11.111   6.907
  267    HB3  ARG  34           1HB      ARG  34   0.080  11.518   5.197
  268    HG2  ARG  34           2HG      ARG  34  -0.401   9.308   4.759
  269    HG3  ARG  34           1HG      ARG  34   1.130   8.924   5.483
  270    HD2  ARG  34           2HD      ARG  34  -0.310   7.558   6.624
  271    HD3  ARG  34           1HD      ARG  34  -0.204   8.926   7.738
  272    HE   ARG  34           HE       ARG  34  -2.308   9.375   5.896
  273   HH11  ARG  34          2HH2      ARG  34  -1.604   7.723   8.954
  274   HH12  ARG  34          1HH2      ARG  34  -3.328   7.385   9.263
  275   HH21  ARG  34          2HH1      ARG  34  -4.466   8.970   6.346
  276   HH22  ARG  34          1HH1      ARG  34  -4.906   8.079   7.827
  277    H    LEU  35           H        LEU  35   3.243  12.484   8.144
  278    HA   LEU  35           HA       LEU  35   4.388  12.044  10.047
  279    HB2  LEU  35           2HB      LEU  35   3.151  11.434  11.933
  280    HB3  LEU  35           1HB      LEU  35   2.274  12.596  10.882
  281    HG   LEU  35           HG       LEU  35   1.454   9.903  10.237
  282   HD11  LEU  35          1HD1      LEU  35   0.425   9.275  12.354
  283   HD12  LEU  35          2HD1      LEU  35   2.200   9.301  12.477
  284   HD13  LEU  35          3HD1      LEU  35   1.241  10.632  13.166
  285   HD21  LEU  35          3HD2      LEU  35   0.174  11.976   9.818
  286   HD22  LEU  35          1HD2      LEU  35  -0.749  10.824  10.813
  287   HD23  LEU  35          2HD2      LEU  35   0.026  12.235  11.573
  288    H    ARG  36           H        ARG  36   5.378  10.257   8.254
  289    HA   ARG  36           HA       ARG  36   5.851   7.797   9.689
  290    HB2  ARG  36           2HB      ARG  36   3.580   7.944   7.982
  291    HB3  ARG  36           1HB      ARG  36   4.809   7.161   6.989
  292    HG2  ARG  36           2HG      ARG  36   4.910   5.285   8.355
  293    HG3  ARG  36           1HG      ARG  36   4.488   6.178   9.814
  294    HD2  ARG  36           2HD      ARG  36   2.334   6.261   7.860
  295    HD3  ARG  36           1HD      ARG  36   2.806   4.588   8.283
  296    HE   ARG  36           HE       ARG  36   2.692   6.219  10.619
  297   HH11  ARG  36          2HH2      ARG  36   0.234   5.238   8.280
  298   HH12  ARG  36          1HH2      ARG  36  -0.981   4.933   9.551
  299   HH21  ARG  36          2HH1      ARG  36   1.118   5.852  12.199
  300   HH22  ARG  36          1HH1      ARG  36  -0.496   5.277  11.703
  301    H    LEU  37           H        LEU  37   7.461   6.505   8.821
  302    HA   LEU  37           HA       LEU  37   9.241   7.766   6.749
  303    HB2  LEU  37           2HB      LEU  37   9.976   8.073   9.086
  304    HB3  LEU  37           1HB      LEU  37  10.006   6.290   9.263
  305    HG   LEU  37           HG       LEU  37  11.545   7.230   6.942
  306   HD11  LEU  37          1HD1      LEU  37  13.378   8.202   8.257
  307   HD12  LEU  37          2HD1      LEU  37  11.901   9.184   8.400
  308   HD13  LEU  37          3HD1      LEU  37  12.385   8.105   9.730
  309   HD21  LEU  37          3HD2      LEU  37  11.641   4.944   7.883
  310   HD22  LEU  37          1HD2      LEU  37  13.228   5.746   7.948
  311   HD23  LEU  37          2HD2      LEU  37  12.241   5.607   9.422
  312    HN1  NH2  38           3HN      NH2  38   8.032   5.600   5.052
  313    HN2  NH2  38           2HN      NH2  38   9.221   6.853   5.184
  Start of MODEL    6
    1    H1   ACE   0           2H1      ACE   0  11.808  -2.750  -6.872
    2    H2   ACE   0           3H1      ACE   0  11.793  -1.283  -5.866
    3    H3   ACE   0           1H1      ACE   0  13.106  -2.470  -5.688
    4    H    TRP   1           H        TRP   1  12.487  -2.326  -3.419
    5    HA   TRP   1           HA       TRP   1  11.403  -3.195  -1.542
    6    HB2  TRP   1           2HB      TRP   1   9.066  -3.768  -3.370
    7    HB3  TRP   1           1HB      TRP   1   9.069  -3.607  -1.585
    8    HD1  TRP   1           HD       TRP   1  10.441  -0.939  -1.210
    9    HE1  TRP   1           1HE      TRP   1   9.269   1.352  -1.918
   10    HE3  TRP   1           3HE      TRP   1   7.064  -2.821  -4.389
   11    HZ2  TRP   1           2HZ      TRP   1   7.157   2.051  -3.680
   12    HZ3  TRP   1           3HZ      TRP   1   5.940  -1.433  -5.941
   13    HH2  TRP   1           HH       TRP   1   5.808   1.098  -5.559
   14    HA   PRO   2           HA       PRO   2  12.515  -7.495  -1.801
   15    HB2  PRO   2           2HB      PRO   2  11.643  -8.309   0.608
   16    HB3  PRO   2           1HB      PRO   2  13.039  -7.242   0.463
   17    HG2  PRO   2           2HG      PRO   2  10.137  -6.479   1.073
   18    HG3  PRO   2           1HG      PRO   2  11.589  -5.982   1.933
   19    HD2  PRO   2           1HD      PRO   2  10.504  -4.379  -0.079
   20    HD3  PRO   2           2HD      PRO   2  12.315  -4.523   0.083
   21    HA   PRO   3           HA       PRO   3   8.960  -9.779  -3.086
   22    HB2  PRO   3           2HB      PRO   3   9.751 -12.363  -2.639
   23    HB3  PRO   3           1HB      PRO   3  10.351 -11.390  -3.982
   24    HG2  PRO   3           2HG      PRO   3  11.660 -11.876  -1.261
   25    HG3  PRO   3           1HG      PRO   3  12.403 -11.961  -2.857
   26    HD2  PRO   3           1HD      PRO   3  12.573  -9.639  -1.302
   27    HD3  PRO   3           2HD      PRO   3  12.383  -9.515  -3.115
   28    H    ARG   4           H        ARG   4  10.295 -10.703   0.155
   29    HA   ARG   4           HA       ARG   4   7.576 -11.364   1.125
   30    HB2  ARG   4           2HB      ARG   4  10.375 -11.806   2.038
   31    HB3  ARG   4           1HB      ARG   4   9.024 -11.751   3.234
   32    HG2  ARG   4           2HG      ARG   4   8.023 -13.712   2.357
   33    HG3  ARG   4           1HG      ARG   4   8.556 -13.369   0.722
   34    HD2  ARG   4           2HD      ARG   4  10.885 -13.858   1.588
   35    HD3  ARG   4           1HD      ARG   4   9.991 -14.631   2.976
   36    HE   ARG   4           HE       ARG   4   8.644 -15.488   0.754
   37   HH11  ARG   4          2HH2      ARG   4  12.077 -15.877   1.580
   38   HH12  ARG   4          1HH2      ARG   4  12.227 -17.353   0.589
   39   HH21  ARG   4          2HH1      ARG   4   8.886 -17.320  -0.501
   40   HH22  ARG   4          1HH1      ARG   4  10.465 -18.149  -0.560
   41    H    SER   5           H        SER   5   6.367 -10.383   2.223
   42    HA   SER   5           HA       SER   5   5.226  -8.627   3.176
   43    HB2  SER   5           2HB      SER   5   6.064  -7.475   4.990
   44    HB3  SER   5           1HB      SER   5   6.833  -9.032   5.078
   45    HG   SER   5           HG       SER   5   8.676  -7.977   3.891
   46    H    TYR   6           H        TYR   6   4.601  -6.597   2.848
   47    HA   TYR   6           HA       TYR   6   6.363  -4.845   1.095
   48    HB2  TYR   6           1HB      TYR   6   3.477  -5.360   0.779
   49    HB3  TYR   6           2HB      TYR   6   4.268  -4.131   0.051
   50    HD1  TYR   6           2HD      TYR   6   5.848  -4.452  -1.755
   51    HD2  TYR   6           1HD      TYR   6   3.656  -7.694   0.015
   52    HE1  TYR   6           2HE      TYR   6   6.322  -5.835  -3.735
   53    HE2  TYR   6           1HE      TYR   6   4.129  -9.096  -1.970
   54    HH   TYR   6           HH       TYR   6   5.847  -9.049  -4.220
   55    H    THR   7           H        THR   7   6.364  -2.758   1.297
   56    HA   THR   7           HA       THR   7   5.498  -1.630   3.858
   57    HB   THR   7           HB       THR   7   7.244  -0.674   1.587
   58    HG1  THR   7           1HG      THR   7   7.666  -1.830   4.208
   59   HG21  THR   7          3HG2      THR   7   6.886   0.606   4.313
   60   HG22  THR   7          1HG2      THR   7   8.098   1.055   3.090
   61   HG23  THR   7          2HG2      THR   7   6.367   1.293   2.756
   62    H    CYS   8           H        CYS   8   4.255   0.299   4.023
   63    HA   CYS   8           HA       CYS   8   2.241   0.554   1.918
   64    HB2  CYS   8           2HB      CYS   8   1.969   0.227   4.628
   65    HB3  CYS   8           1HB      CYS   8   1.751   1.975   4.423
   66    H    SER   9           H        SER   9   5.106   2.042   3.055
   67    HA   SER   9           HA       SER   9   6.223   4.013   2.737
   68    HB2  SER   9           2HB      SER   9   5.902   5.553   1.310
   69    HB3  SER   9           1HB      SER   9   5.227   4.083   0.540
   70    HG   SER   9           HG       SER   9   3.377   5.082   0.319
   71    H    PHE  10           H        PHE  10   2.767   4.968   3.203
   72    HA   PHE  10           HA       PHE  10   3.163   7.008   5.060
   73    HB2  PHE  10           1HB      PHE  10   0.978   5.203   4.457
   74    HB3  PHE  10           2HB      PHE  10   0.880   6.097   5.820
   75    HD1  PHE  10           1HD      PHE  10   1.417   6.521   2.188
   76    HD2  PHE  10           2HD      PHE  10  -0.315   7.989   5.829
   77    HE1  PHE  10           1HE      PHE  10   0.100   8.178   0.899
   78    HE2  PHE  10           2HE      PHE  10  -1.657   9.624   4.542
   79    HZ   PHE  10           HZ       PHE  10  -1.438   9.731   2.073
   80    H    CYS  11           H        CYS  11   2.763   3.418   5.967
   81    HA   CYS  11           HA       CYS  11   3.379   4.411   8.659
   82    HB2  CYS  11           2HB      CYS  11   2.616   2.202   9.428
   83    HB3  CYS  11           1HB      CYS  11   1.360   3.096   8.549
   84    H    LYS  12           H        LYS  12   5.361   3.880   6.166
   85    HA   LYS  12           HA       LYS  12   6.805   1.998   5.430
   86    HB2  LYS  12           2HB      LYS  12   8.855   2.517   6.580
   87    HB3  LYS  12           1HB      LYS  12   7.972   4.007   6.066
   88    HG2  LYS  12           2HG      LYS  12   7.873   3.122   8.955
   89    HG3  LYS  12           1HG      LYS  12   9.265   3.984   8.359
   90    HD2  LYS  12           2HD      LYS  12   7.361   5.675   7.416
   91    HD3  LYS  12           1HD      LYS  12   6.459   4.987   8.724
   92    HE2  LYS  12           2HE      LYS  12   9.218   6.124   9.045
   93    HE3  LYS  12           1HE      LYS  12   7.685   7.036   9.239
   94    HZ1  LYS  12           3HZ      LYS  12   8.554   4.738  10.849
   95    HZ2  LYS  12           1HZ      LYS  12   8.590   6.353  11.314
   96    HZ3  LYS  12           2HZ      LYS  12   7.117   5.593  11.030
   97    H    ARG  13           H        ARG  13   4.844   0.810   7.242
   98    HA   ARG  13           HA       ARG  13   6.464  -1.296   8.444
   99    HB2  ARG  13           2HB      ARG  13   3.765  -0.105   8.785
  100    HB3  ARG  13           1HB      ARG  13   3.763  -1.867   8.862
  101    HG2  ARG  13           2HG      ARG  13   5.154  -1.897  10.805
  102    HG3  ARG  13           1HG      ARG  13   5.857  -0.353  10.474
  103    HD2  ARG  13           2HD      ARG  13   4.425  -0.281  12.359
  104    HD3  ARG  13           1HD      ARG  13   3.783   0.760  11.046
  105    HE   ARG  13           HE       ARG  13   1.883  -0.389  11.130
  106   HH11  ARG  13          2HH2      ARG  13   4.239  -2.555  12.698
  107   HH12  ARG  13          1HH2      ARG  13   2.973  -3.745  13.102
  108   HH21  ARG  13          2HH1      ARG  13   0.342  -1.898  11.725
  109   HH22  ARG  13          1HH1      ARG  13   0.845  -3.385  12.573
  110    H    GLU  14           H        GLU  14   6.404  -3.325   8.063
  111    HA   GLU  14           HA       GLU  14   5.846  -4.164   5.293
  112    HB2  GLU  14           2HB      GLU  14   7.524  -5.334   7.575
  113    HB3  GLU  14           1HB      GLU  14   7.337  -6.099   6.022
  114    HG2  GLU  14           2HG      GLU  14   8.377  -4.176   4.907
  115    HG3  GLU  14           1HG      GLU  14   8.503  -3.330   6.450
  116    H    PHE  15           H        PHE  15   3.968  -5.014   4.890
  117    HA   PHE  15           HA       PHE  15   2.596  -6.780   6.876
  118    HB2  PHE  15           1HB      PHE  15   1.698  -5.428   4.431
  119    HB3  PHE  15           2HB      PHE  15   0.816  -6.576   5.185
  120    HD1  PHE  15           1HD      PHE  15   2.535  -3.430   6.278
  121    HD2  PHE  15           2HD      PHE  15  -1.045  -5.799   6.159
  122    HE1  PHE  15           1HE      PHE  15   1.539  -2.016   8.043
  123    HE2  PHE  15           2HE      PHE  15  -2.059  -4.357   7.897
  124    HZ   PHE  15           HZ       PHE  15  -0.664  -2.618   9.006
  125    H    ARG  16           H        ARG  16   2.529  -8.895   6.641
  126    HA   ARG  16           HA       ARG  16   3.359 -10.270   4.181
  127    HB2  ARG  16           2HB      ARG  16   3.019 -12.271   5.440
  128    HB3  ARG  16           1HB      ARG  16   3.920 -11.094   6.465
  129    HG2  ARG  16           2HG      ARG  16   0.968 -11.593   6.743
  130    HG3  ARG  16           1HG      ARG  16   2.216 -12.549   7.606
  131    HD2  ARG  16           2HD      ARG  16   3.025 -10.479   8.672
  132    HD3  ARG  16           1HD      ARG  16   1.727  -9.567   7.854
  133    HE   ARG  16           HE       ARG  16   1.439 -11.540  10.024
  134   HH11  ARG  16          2HH2      ARG  16  -0.220  -9.239   7.874
  135   HH12  ARG  16          1HH2      ARG  16  -1.746  -9.369   8.789
  136   HH21  ARG  16          2HH1      ARG  16  -0.516 -11.656  11.139
  137   HH22  ARG  16          1HH1      ARG  16  -1.907 -10.690  10.575
  138    H    SER  17           H        SER  17   1.500  -8.589   3.408
  139    HA   SER  17           HA       SER  17  -0.899 -10.200   2.765
  140    HB2  SER  17           2HB      SER  17  -0.900  -7.516   4.195
  141    HB3  SER  17           1HB      SER  17  -2.295  -8.159   3.314
  142    HG   SER  17           HG       SER  17  -1.154 -10.016   5.068
  143    H    ALA  18           H        ALA  18  -2.042  -9.454   0.981
  144    HA   ALA  18           HA       ALA  18  -0.669  -7.435  -0.750
  145    HB1  ALA  18           1HB      ALA  18  -1.650  -8.580  -2.616
  146    HB2  ALA  18           2HB      ALA  18  -0.592  -9.640  -1.654
  147    HB3  ALA  18           3HB      ALA  18  -2.360  -9.787  -1.518
  148    H    GLN  19           H        GLN  19  -4.040  -8.743  -0.796
  149    HA   GLN  19           HA       GLN  19  -5.254  -6.306  -1.425
  150    HB2  GLN  19           2HB      GLN  19  -6.074  -8.854  -1.419
  151    HB3  GLN  19           1HB      GLN  19  -6.753  -8.376   0.152
  152    HG2  GLN  19           2HG      GLN  19  -7.493  -6.221  -1.426
  153    HG3  GLN  19           1HG      GLN  19  -7.569  -7.529  -2.596
  154   HE21  GLN  19          2HE2      GLN  19  -8.937  -6.079   0.226
  155   HE22  GLN  19          1HE2      GLN  19 -10.349  -7.161   0.363
  156    H    ALA  20           H        ALA  20  -4.990  -7.782   1.879
  157    HA   ALA  20           HA       ALA  20  -6.165  -5.755   3.396
  158    HB1  ALA  20           1HB      ALA  20  -4.822  -6.528   5.202
  159    HB2  ALA  20           2HB      ALA  20  -5.505  -7.886   4.278
  160    HB3  ALA  20           3HB      ALA  20  -3.791  -7.450   4.081
  161    H    LEU  21           H        LEU  21  -2.878  -5.691   1.910
  162    HA   LEU  21           HA       LEU  21  -2.000  -3.315   3.374
  163    HB2  LEU  21           2HB      LEU  21  -0.524  -5.261   2.435
  164    HB3  LEU  21           1HB      LEU  21  -0.725  -4.506   0.894
  165    HG   LEU  21           HG       LEU  21   0.172  -2.894   3.239
  166   HD11  LEU  21          1HD1      LEU  21   2.487  -3.583   2.490
  167   HD12  LEU  21          2HD1      LEU  21   1.546  -4.994   3.028
  168   HD13  LEU  21          3HD1      LEU  21   1.752  -4.672   1.290
  169   HD21  LEU  21          3HD2      LEU  21  -0.342  -1.655   1.179
  170   HD22  LEU  21          1HD2      LEU  21   1.403  -1.635   1.530
  171   HD23  LEU  21          2HD2      LEU  21   0.762  -2.710   0.264
  172    H    GLY  22           H        GLY  22  -2.919  -3.985  -0.131
  173    HA2  GLY  22           2HA      GLY  22  -2.935  -1.395  -1.097
  174    HA3  GLY  22           1HA      GLY  22  -4.061  -2.642  -1.610
  175    H    GLY  23           H        GLY  23  -5.733  -3.090   0.493
  176    HA2  GLY  23           2HA      GLY  23  -7.473  -0.852   0.789
  177    HA3  GLY  23           1HA      GLY  23  -7.468  -2.273   1.783
  178    H    HIS  24           H        HIS  24  -4.729  -1.938   2.878
  179    HA   HIS  24           HA       HIS  24  -5.533  -0.385   5.085
  180    HB2  HIS  24           2HB      HIS  24  -4.258  -2.212   5.559
  181    HB3  HIS  24           1HB      HIS  24  -3.024  -1.802   4.327
  182    HD1  HIS  24           1HD      HIS  24  -3.307  -1.981   7.724
  183    HD2  HIS  24           2HD      HIS  24  -1.930   1.009   5.177
  184    HE1  HIS  24           1HE      HIS  24  -1.749  -0.443   9.173
  185    H    MET  25           H        MET  25  -3.211   0.179   2.398
  186    HA   MET  25           HA       MET  25  -2.310   2.771   2.979
  187    HB2  MET  25           2HB      MET  25  -1.669   0.991   1.130
  188    HB3  MET  25           1HB      MET  25  -2.888   1.792   0.174
  189    HG2  MET  25           2HG      MET  25  -1.702   3.813   0.110
  190    HG3  MET  25           1HG      MET  25  -0.750   3.428   1.539
  191    HE1  MET  25           3HE      MET  25   1.288   4.338   0.014
  192    HE2  MET  25           1HE      MET  25   1.762   3.598  -1.533
  193    HE3  MET  25           2HE      MET  25   0.220   4.478  -1.403
  194    H    ASN  26           H        ASN  26  -5.251   1.794   1.107
  195    HA   ASN  26           HA       ASN  26  -6.226   4.398   0.661
  196    HB2  ASN  26           2HB      ASN  26  -6.979   2.086  -0.349
  197    HB3  ASN  26           1HB      ASN  26  -7.972   1.920   1.087
  198   HD21  ASN  26          2HD2      ASN  26  -9.782   3.268   1.404
  199   HD22  ASN  26          1HD2      ASN  26 -10.434   4.250   0.065
  200    H    VAL  27           H        VAL  27  -6.763   2.278   3.537
  201    HA   VAL  27           HA       VAL  27  -8.586   3.971   4.830
  202    HB   VAL  27           HB       VAL  27  -7.988   1.577   5.248
  203   HG11  VAL  27          1HG1      VAL  27  -6.812   1.183   7.353
  204   HG12  VAL  27          2HG1      VAL  27  -5.704   1.797   6.105
  205   HG13  VAL  27          3HG1      VAL  27  -6.283   2.881   7.391
  206   HG21  VAL  27          3HG2      VAL  27  -9.873   2.740   6.088
  207   HG22  VAL  27          1HG2      VAL  27  -9.131   1.773   7.384
  208   HG23  VAL  27          2HG2      VAL  27  -8.887   3.535   7.338
  209    H    HIS  28           H        HIS  28  -5.116   4.505   4.408
  210    HA   HIS  28           HA       HIS  28  -4.492   6.062   6.568
  211    HB2  HIS  28           2HB      HIS  28  -3.576   6.171   3.727
  212    HB3  HIS  28           1HB      HIS  28  -2.890   7.183   5.037
  213    HD1  HIS  28           1HD      HIS  28  -3.179   4.804   7.121
  214    HD2  HIS  28           2HD      HIS  28  -1.181   4.721   3.469
  215    HE1  HIS  28           1HE      HIS  28  -1.384   2.899   7.310
  216    H    ARG  29           H        ARG  29  -5.153   7.622   3.377
  217    HA   ARG  29           HA       ARG  29  -7.396   9.215   4.183
  218    HB2  ARG  29           2HB      ARG  29  -5.412  10.312   5.507
  219    HB3  ARG  29           1HB      ARG  29  -4.932  10.914   3.918
  220    HG2  ARG  29           2HG      ARG  29  -7.793  11.333   4.205
  221    HG3  ARG  29           1HG      ARG  29  -7.004  11.957   5.628
  222    HD2  ARG  29           2HD      ARG  29  -6.190  12.678   2.788
  223    HD3  ARG  29           1HD      ARG  29  -7.233  13.639   3.824
  224    HE   ARG  29           HE       ARG  29  -4.395  13.416   3.914
  225   HH11  ARG  29          2HH2      ARG  29  -7.139  14.004   6.108
  226   HH12  ARG  29          1HH2      ARG  29  -6.134  14.969   7.223
  227   HH21  ARG  29          2HH1      ARG  29  -3.183  14.631   5.371
  228   HH22  ARG  29          1HH1      ARG  29  -3.972  15.309   6.820
  229    H    ARG  30           H        ARG  30  -8.355   9.627   2.443
  230    HA   ARG  30           HA       ARG  30  -8.976   9.941   0.277
  231    HB2  ARG  30           2HB      ARG  30  -7.147  11.827   0.550
  232    HB3  ARG  30           1HB      ARG  30  -6.155  10.759  -0.452
  233    HG2  ARG  30           2HG      ARG  30  -8.143  10.711  -2.116
  234    HG3  ARG  30           1HG      ARG  30  -8.836  12.021  -1.189
  235    HD2  ARG  30           2HD      ARG  30  -6.914  13.366  -1.543
  236    HD3  ARG  30           1HD      ARG  30  -6.133  11.996  -2.452
  237    HE   ARG  30           HE       ARG  30  -8.835  12.671  -3.311
  238   HH11  ARG  30          2HH2      ARG  30  -5.430  13.303  -4.111
  239   HH12  ARG  30          1HH2      ARG  30  -5.849  13.911  -5.735
  240   HH21  ARG  30          2HH1      ARG  30  -9.304  13.373  -5.363
  241   HH22  ARG  30          1HH1      ARG  30  -7.993  13.947  -6.428
  242    H    ASP  31           H        ASP  31  -9.086   9.078  -1.708
  243    HA   ASP  31           HA       ASP  31  -7.756   6.417  -1.971
  244    HB2  ASP  31           2HB      ASP  31  -9.701   5.904  -3.415
  245    HB3  ASP  31           1HB      ASP  31  -9.938   5.957  -1.630
  246    H    ARG  32           H        ARG  32  -5.929   7.122  -3.065
  247    HA   ARG  32           HA       ARG  32  -5.881   8.729  -5.446
  248    HB2  ARG  32           2HB      ARG  32  -4.007   6.536  -4.464
  249    HB3  ARG  32           1HB      ARG  32  -3.725   7.489  -5.904
  250    HG2  ARG  32           2HG      ARG  32  -3.951   9.576  -4.334
  251    HG3  ARG  32           1HG      ARG  32  -3.757   8.439  -3.025
  252    HD2  ARG  32           2HD      ARG  32  -1.771   8.721  -5.320
  253    HD3  ARG  32           1HD      ARG  32  -1.609   9.476  -3.753
  254    HE   ARG  32           HE       ARG  32  -2.000   6.741  -3.345
  255   HH11  ARG  32          2HH2      ARG  32   0.483   8.866  -4.763
  256   HH12  ARG  32          1HH2      ARG  32   1.799   7.738  -4.339
  257   HH21  ARG  32          2HH1      ARG  32  -0.283   5.356  -2.849
  258   HH22  ARG  32          1HH1      ARG  32   1.380   5.823  -3.295
  259    H    ALA  33           H        ALA  33  -5.881   8.340  -7.559
  260    HA   ALA  33           HA       ALA  33  -7.759   6.605  -8.699
  261    HB1  ALA  33           1HB      ALA  33  -6.699   7.169 -10.804
  262    HB2  ALA  33           2HB      ALA  33  -6.864   8.608  -9.770
  263    HB3  ALA  33           3HB      ALA  33  -5.282   7.813  -9.942
  264    H    ARG  34           H        ARG  34  -7.871   4.611  -9.398
  265    HA   ARG  34           HA       ARG  34  -5.466   2.889  -9.138
  266    HB2  ARG  34           2HB      ARG  34  -7.395   2.474  -7.459
  267    HB3  ARG  34           1HB      ARG  34  -8.421   2.082  -8.812
  268    HG2  ARG  34           2HG      ARG  34  -5.889   0.549  -8.856
  269    HG3  ARG  34           1HG      ARG  34  -6.845   0.274  -7.426
  270    HD2  ARG  34           2HD      ARG  34  -8.002   0.099 -10.226
  271    HD3  ARG  34           1HD      ARG  34  -7.327  -1.266  -9.344
  272    HE   ARG  34           HE       ARG  34  -9.861  -0.010  -8.959
  273   HH11  ARG  34          2HH2      ARG  34  -7.415  -1.942  -7.242
  274   HH12  ARG  34          1HH2      ARG  34  -8.590  -2.479  -6.010
  275   HH21  ARG  34          2HH1      ARG  34 -11.305  -0.743  -7.375
  276   HH22  ARG  34          1HH1      ARG  34 -10.715  -1.824  -6.084
  277    H    LEU  35           H        LEU  35  -4.675   2.201 -10.872
  278    HA   LEU  35           HA       LEU  35  -4.263   1.643 -13.095
  279    HB2  LEU  35           2HB      LEU  35  -6.662   0.252 -12.412
  280    HB3  LEU  35           1HB      LEU  35  -6.707   0.746 -14.080
  281    HG   LEU  35           HG       LEU  35  -4.274  -0.601 -12.880
  282   HD11  LEU  35          1HD1      LEU  35  -5.201  -2.665 -13.827
  283   HD12  LEU  35          2HD1      LEU  35  -6.275  -2.010 -12.569
  284   HD13  LEU  35          3HD1      LEU  35  -6.687  -1.801 -14.287
  285   HD21  LEU  35          3HD2      LEU  35  -3.928   0.611 -15.005
  286   HD22  LEU  35          1HD2      LEU  35  -3.827  -1.153 -15.220
  287   HD23  LEU  35          2HD2      LEU  35  -5.291  -0.278 -15.726
  288    H    ARG  36           H        ARG  36  -3.721   3.747 -13.646
  289    HA   ARG  36           HA       ARG  36  -5.698   5.164 -15.371
  290    HB2  ARG  36           2HB      ARG  36  -4.727   7.256 -14.711
  291    HB3  ARG  36           1HB      ARG  36  -5.271   6.390 -13.239
  292    HG2  ARG  36           2HG      ARG  36  -3.195   6.370 -12.369
  293    HG3  ARG  36           1HG      ARG  36  -2.453   5.890 -13.909
  294    HD2  ARG  36           2HD      ARG  36  -2.769   8.285 -14.701
  295    HD3  ARG  36           1HD      ARG  36  -3.261   8.698 -13.046
  296    HE   ARG  36           HE       ARG  36  -0.884   7.347 -12.752
  297   HH11  ARG  36          2HH2      ARG  36  -1.745  10.206 -14.681
  298   HH12  ARG  36          1HH2      ARG  36  -0.140  10.949 -14.444
  299   HH21  ARG  36          2HH1      ARG  36   1.157   8.303 -12.555
  300   HH22  ARG  36          1HH1      ARG  36   1.448   9.906 -13.283
  301    H    LEU  37           H        LEU  37  -4.888   6.314 -17.135
  302    HA   LEU  37           HA       LEU  37  -2.434   5.142 -18.281
  303    HB2  LEU  37           2HB      LEU  37  -4.994   6.075 -19.404
  304    HB3  LEU  37           1HB      LEU  37  -3.635   6.742 -20.255
  305    HG   LEU  37           HG       LEU  37  -2.711   4.339 -20.326
  306   HD11  LEU  37          1HD1      LEU  37  -4.349   2.567 -20.247
  307   HD12  LEU  37          2HD1      LEU  37  -4.103   3.324 -18.655
  308   HD13  LEU  37          3HD1      LEU  37  -5.561   3.701 -19.604
  309   HD21  LEU  37          3HD2      LEU  37  -3.625   5.604 -22.250
  310   HD22  LEU  37          1HD2      LEU  37  -4.108   3.893 -22.318
  311   HD23  LEU  37          2HD2      LEU  37  -5.274   5.125 -21.781
  312    HN1  NH2  38           3HN      NH2  38  -1.919   6.328 -16.462
  313    HN2  NH2  38           2HN      NH2  38  -1.408   5.515 -17.904
  Start of MODEL    7
    1    H1   ACE   0           2H1      ACE   0  15.668  -9.010  -6.247
    2    H2   ACE   0           3H1      ACE   0  14.979  -8.677  -4.641
    3    H3   ACE   0           1H1      ACE   0  15.206 -10.357  -5.181
    4    H    TRP   1           H        TRP   1  13.882 -11.235  -6.762
    5    HA   TRP   1           HA       TRP   1  11.190  -9.975  -6.829
    6    HB2  TRP   1           2HB      TRP   1  12.690  -9.364  -8.906
    7    HB3  TRP   1           1HB      TRP   1  12.287 -11.040  -9.395
    8    HD1  TRP   1           HD       TRP   1  10.219 -11.196 -10.754
    9    HE1  TRP   1           1HE      TRP   1   7.948  -9.831 -11.095
   10    HE3  TRP   1           3HE      TRP   1  10.895  -7.775  -7.166
   11    HZ2  TRP   1           2HZ      TRP   1   6.790  -7.548  -9.874
   12    HZ3  TRP   1           3HZ      TRP   1   9.624  -5.781  -7.121
   13    HH2  TRP   1           HH       TRP   1   7.396  -5.634  -8.380
   14    HA   PRO   2           HA       PRO   2  11.393 -14.606  -6.209
   15    HB2  PRO   2           2HB      PRO   2  10.516 -14.826  -3.669
   16    HB3  PRO   2           1HB      PRO   2  12.218 -14.545  -4.038
   17    HG2  PRO   2           2HG      PRO   2  10.106 -12.532  -3.169
   18    HG3  PRO   2           1HG      PRO   2  11.776 -12.676  -2.620
   19    HD2  PRO   2           1HD      PRO   2  10.982 -10.880  -4.640
   20    HD3  PRO   2           2HD      PRO   2  12.646 -11.603  -4.587
   21    HA   PRO   3           HA       PRO   3   7.147 -14.802  -7.275
   22    HB2  PRO   3           2HB      PRO   3   6.658 -17.478  -7.219
   23    HB3  PRO   3           1HB      PRO   3   7.714 -16.739  -8.420
   24    HG2  PRO   3           2HG      PRO   3   8.505 -18.088  -5.787
   25    HG3  PRO   3           1HG      PRO   3   9.178 -18.369  -7.390
   26    HD2  PRO   3           1HD      PRO   3  10.363 -16.552  -5.604
   27    HD3  PRO   3           2HD      PRO   3  10.349 -16.205  -7.397
   28    H    ARG   4           H        ARG   4   7.398 -13.923  -4.664
   29    HA   ARG   4           HA       ARG   4   4.777 -14.400  -3.596
   30    HB2  ARG   4           2HB      ARG   4   6.888 -16.111  -2.630
   31    HB3  ARG   4           1HB      ARG   4   6.404 -14.972  -1.339
   32    HG2  ARG   4           2HG      ARG   4   4.178 -15.701  -1.348
   33    HG3  ARG   4           1HG      ARG   4   4.305 -16.363  -3.008
   34    HD2  ARG   4           2HD      ARG   4   4.133 -18.247  -1.671
   35    HD3  ARG   4           1HD      ARG   4   5.898 -18.090  -1.962
   36    HE   ARG   4           HE       ARG   4   6.194 -17.994   0.245
   37   HH11  ARG   4          2HH2      ARG   4   2.980 -16.552  -0.172
   38   HH12  ARG   4          1HH2      ARG   4   2.604 -16.700   1.566
   39   HH21  ARG   4          2HH1      ARG   4   5.682 -18.100   2.440
   40   HH22  ARG   4          1HH1      ARG   4   4.081 -17.540   2.992
   41    H    SER   5           H        SER   5   6.463 -12.176  -4.556
   42    HA   SER   5           HA       SER   5   5.662 -10.216  -2.590
   43    HB2  SER   5           2HB      SER   5   7.774  -9.309  -2.026
   44    HB3  SER   5           1HB      SER   5   7.757 -11.016  -1.522
   45    HG   SER   5           HG       SER   5   8.739 -10.224  -4.111
   46    H    TYR   6           H        TYR   6   5.395  -8.306  -3.474
   47    HA   TYR   6           HA       TYR   6   6.630  -7.561  -6.027
   48    HB2  TYR   6           1HB      TYR   6   3.719  -7.971  -5.685
   49    HB3  TYR   6           2HB      TYR   6   4.342  -7.042  -6.874
   50    HD1  TYR   6           2HD      TYR   6   4.089 -10.504  -5.675
   51    HD2  TYR   6           1HD      TYR   6   4.988  -7.892  -8.927
   52    HE1  TYR   6           2HE      TYR   6   4.652 -12.459  -7.070
   53    HE2  TYR   6           1HE      TYR   6   5.750  -9.820 -10.293
   54    HH   TYR   6           HH       TYR   6   6.172 -12.995  -9.313
   55    H    THR   7           H        THR   7   6.087  -5.312  -6.652
   56    HA   THR   7           HA       THR   7   5.929  -3.499  -4.311
   57    HB   THR   7           HB       THR   7   6.843  -1.835  -5.942
   58    HG1  THR   7           1HG      THR   7   7.642  -2.687  -7.947
   59   HG21  THR   7          3HG2      THR   7   8.461  -4.387  -5.734
   60   HG22  THR   7          1HG2      THR   7   9.079  -2.756  -6.090
   61   HG23  THR   7          2HG2      THR   7   8.371  -3.112  -4.496
   62    H    CYS   8           H        CYS   8   4.692  -1.412  -4.606
   63    HA   CYS   8           HA       CYS   8   2.094  -2.066  -5.766
   64    HB2  CYS   8           2HB      CYS   8   2.787  -1.035  -3.318
   65    HB3  CYS   8           1HB      CYS   8   2.289   0.407  -4.225
   66    H    SER   9           H        SER   9   4.905  -0.676  -6.821
   67    HA   SER   9           HA       SER   9   5.711   0.974  -8.203
   68    HB2  SER   9           2HB      SER   9   4.728   1.741  -9.938
   69    HB3  SER   9           1HB      SER   9   3.987   0.130  -9.675
   70    HG   SER   9           HG       SER   9   2.065   1.026  -9.467
   71    H    PHE  10           H        PHE  10   2.615   2.279  -6.965
   72    HA   PHE  10           HA       PHE  10   3.418   4.884  -6.678
   73    HB2  PHE  10           1HB      PHE  10   1.257   3.241  -6.131
   74    HB3  PHE  10           2HB      PHE  10   1.525   4.030  -4.726
   75    HD1  PHE  10           1HD      PHE  10   1.163   6.464  -4.482
   76    HD2  PHE  10           2HD      PHE  10   0.167   4.174  -7.969
   77    HE1  PHE  10           1HE      PHE  10  -0.506   8.183  -5.135
   78    HE2  PHE  10           2HE      PHE  10  -1.513   5.875  -8.614
   79    HZ   PHE  10           HZ       PHE  10  -1.846   7.887  -7.203
   80    H    CYS  11           H        CYS  11   3.686   2.291  -4.055
   81    HA   CYS  11           HA       CYS  11   5.228   4.336  -2.601
   82    HB2  CYS  11           2HB      CYS  11   4.785   3.040  -0.577
   83    HB3  CYS  11           1HB      CYS  11   3.288   3.599  -1.347
   84    H    LYS  12           H        LYS  12   6.013   2.309  -4.919
   85    HA   LYS  12           HA       LYS  12   6.992   0.157  -5.206
   86    HB2  LYS  12           2HB      LYS  12   9.350   0.832  -5.437
   87    HB3  LYS  12           1HB      LYS  12   8.504   2.337  -5.554
   88    HG2  LYS  12           2HG      LYS  12   8.866   2.629  -3.084
   89    HG3  LYS  12           1HG      LYS  12   9.971   1.219  -3.204
   90    HD2  LYS  12           2HD      LYS  12  11.188   2.507  -4.991
   91    HD3  LYS  12           1HD      LYS  12  10.220   3.931  -4.476
   92    HE2  LYS  12           2HE      LYS  12  11.040   3.236  -2.018
   93    HE3  LYS  12           1HE      LYS  12  12.300   2.361  -2.844
   94    HZ1  LYS  12           3HZ      LYS  12  11.782   5.189  -2.879
   95    HZ2  LYS  12           1HZ      LYS  12  13.382   4.176  -2.962
   96    HZ3  LYS  12           2HZ      LYS  12  12.212   4.862  -3.956
   97    H    ARG  13           H        ARG  13   6.019   0.287  -2.270
   98    HA   ARG  13           HA       ARG  13   7.916  -1.176  -0.813
   99    HB2  ARG  13           2HB      ARG  13   5.807   0.290  -0.034
  100    HB3  ARG  13           1HB      ARG  13   4.893  -1.163  -0.244
  101    HG2  ARG  13           2HG      ARG  13   5.439  -1.595   1.892
  102    HG3  ARG  13           1HG      ARG  13   7.018  -2.055   1.315
  103    HD2  ARG  13           2HD      ARG  13   7.644  -0.505   2.858
  104    HD3  ARG  13           1HD      ARG  13   7.446   0.599   1.498
  105    HE   ARG  13           HE       ARG  13   4.949   0.384   2.689
  106   HH11  ARG  13          2HH2      ARG  13   8.097   1.853   3.425
  107   HH12  ARG  13          1HH2      ARG  13   7.399   2.907   4.684
  108   HH21  ARG  13          2HH1      ARG  13   4.121   1.773   4.288
  109   HH22  ARG  13          1HH1      ARG  13   5.236   2.866   5.151
  110    H    GLU  14           H        GLU  14   8.288  -3.231  -0.507
  111    HA   GLU  14           HA       GLU  14   7.124  -5.360  -2.128
  112    HB2  GLU  14           2HB      GLU  14   9.302  -5.130  -0.082
  113    HB3  GLU  14           1HB      GLU  14   8.646  -6.702  -0.501
  114    HG2  GLU  14           2HG      GLU  14   9.374  -4.887  -2.782
  115    HG3  GLU  14           1HG      GLU  14  10.681  -5.612  -1.855
  116    H    PHE  15           H        PHE  15   5.315  -6.224  -1.821
  117    HA   PHE  15           HA       PHE  15   4.240  -6.821   0.900
  118    HB2  PHE  15           1HB      PHE  15   2.909  -6.758  -1.734
  119    HB3  PHE  15           2HB      PHE  15   2.185  -7.103  -0.312
  120    HD1  PHE  15           2HD      PHE  15   3.750  -4.462  -2.263
  121    HD2  PHE  15           1HD      PHE  15   1.391  -5.439   1.195
  122    HE1  PHE  15           2HE      PHE  15   3.437  -2.053  -1.798
  123    HE2  PHE  15           1HE      PHE  15   1.112  -3.028   1.680
  124    HZ   PHE  15           HZ       PHE  15   2.249  -1.338   0.233
  125    H    ARG  16           H        ARG  16   3.167  -8.923   1.125
  126    HA   ARG  16           HA       ARG  16   4.395 -11.075  -0.527
  127    HB2  ARG  16           2HB      ARG  16   3.665 -10.996   2.459
  128    HB3  ARG  16           1HB      ARG  16   4.243 -12.431   1.623
  129    HG2  ARG  16           2HG      ARG  16   6.398 -11.454   1.228
  130    HG3  ARG  16           1HG      ARG  16   5.835  -9.842   1.670
  131    HD2  ARG  16           2HD      ARG  16   5.226 -11.047   3.950
  132    HD3  ARG  16           1HD      ARG  16   6.499 -12.179   3.397
  133    HE   ARG  16           HE       ARG  16   8.078 -10.532   3.696
  134   HH11  ARG  16          2HH2      ARG  16   4.904  -8.931   3.915
  135   HH12  ARG  16          1HH2      ARG  16   5.638  -7.355   4.314
  136   HH21  ARG  16          2HH1      ARG  16   8.938  -8.516   4.274
  137   HH22  ARG  16          1HH1      ARG  16   7.840  -7.129   4.511
  138    H    SER  17           H        SER  17   1.951  -9.839  -1.305
  139    HA   SER  17           HA       SER  17   0.173 -12.137  -1.628
  140    HB2  SER  17           2HB      SER  17  -1.754 -11.108  -0.474
  141    HB3  SER  17           1HB      SER  17  -0.524 -11.781   0.595
  142    HG   SER  17           HG       SER  17  -0.674  -9.873   1.514
  143    H    ALA  18           H        ALA  18  -1.026 -11.997  -3.303
  144    HA   ALA  18           HA       ALA  18  -0.816  -9.918  -5.167
  145    HB1  ALA  18           1HB      ALA  18  -2.502 -11.169  -6.423
  146    HB2  ALA  18           2HB      ALA  18  -1.200 -12.204  -5.788
  147    HB3  ALA  18           3HB      ALA  18  -2.793 -12.190  -4.995
  148    H    GLN  19           H        GLN  19  -3.786 -10.813  -3.241
  149    HA   GLN  19           HA       GLN  19  -5.315  -8.528  -4.166
  150    HB2  GLN  19           2HB      GLN  19  -5.773 -10.503  -1.893
  151    HB3  GLN  19           1HB      GLN  19  -6.895  -9.238  -2.348
  152    HG2  GLN  19           2HG      GLN  19  -7.765 -10.582  -3.885
  153    HG3  GLN  19           1HG      GLN  19  -6.211 -10.635  -4.739
  154   HE21  GLN  19          2HE2      GLN  19  -4.921 -12.463  -4.602
  155   HE22  GLN  19          1HE2      GLN  19  -5.381 -13.910  -3.666
  156    H    ALA  20           H        ALA  20  -3.736  -9.061  -0.941
  157    HA   ALA  20           HA       ALA  20  -4.295  -6.474  -0.039
  158    HB1  ALA  20           1HB      ALA  20  -2.591  -6.903   1.633
  159    HB2  ALA  20           2HB      ALA  20  -3.748  -8.240   1.440
  160    HB3  ALA  20           3HB      ALA  20  -2.113  -8.373   0.751
  161    H    LEU  21           H        LEU  21  -1.932  -7.328  -2.518
  162    HA   LEU  21           HA       LEU  21  -0.736  -4.662  -2.401
  163    HB2  LEU  21           2HB      LEU  21   0.312  -7.005  -3.138
  164    HB3  LEU  21           1HB      LEU  21  -0.431  -6.645  -4.664
  165    HG   LEU  21           HG       LEU  21   1.306  -4.552  -3.347
  166   HD11  LEU  21          1HD1      LEU  21   3.151  -5.666  -4.550
  167   HD12  LEU  21          2HD1      LEU  21   2.453  -6.780  -3.351
  168   HD13  LEU  21          3HD1      LEU  21   2.046  -6.959  -5.075
  169   HD21  LEU  21          3HD2      LEU  21   0.001  -3.899  -5.318
  170   HD22  LEU  21          1HD2      LEU  21   1.754  -3.935  -5.622
  171   HD23  LEU  21          2HD2      LEU  21   0.720  -5.252  -6.224
  172    H    GLY  22           H        GLY  22  -2.824  -6.460  -4.880
  173    HA2  GLY  22           2HA      GLY  22  -3.378  -4.312  -6.571
  174    HA3  GLY  22           1HA      GLY  22  -4.479  -5.632  -6.262
  175    H    GLY  23           H        GLY  23  -5.275  -5.320  -3.649
  176    HA2  GLY  23           2HA      GLY  23  -7.092  -3.115  -3.574
  177    HA3  GLY  23           1HA      GLY  23  -6.656  -4.159  -2.247
  178    H    HIS  24           H        HIS  24  -3.775  -3.548  -2.084
  179    HA   HIS  24           HA       HIS  24  -4.005  -1.202  -0.529
  180    HB2  HIS  24           2HB      HIS  24  -2.536  -2.830   0.185
  181    HB3  HIS  24           1HB      HIS  24  -1.698  -2.892  -1.397
  182    HD1  HIS  24           1HD      HIS  24  -1.164  -1.789   1.822
  183    HD2  HIS  24           2HD      HIS  24  -0.593  -0.040  -1.913
  184    HE1  HIS  24           1HE      HIS  24   0.594   0.131   2.170
  185    H    MET  25           H        MET  25  -2.616  -1.852  -3.829
  186    HA   MET  25           HA       MET  25  -1.827   0.745  -4.530
  187    HB2  MET  25           2HB      MET  25  -1.883  -1.669  -5.782
  188    HB3  MET  25           1HB      MET  25  -3.152  -0.773  -6.651
  189    HG2  MET  25           2HG      MET  25  -1.130   1.108  -6.300
  190    HG3  MET  25           1HG      MET  25  -0.250  -0.412  -6.668
  191    HE1  MET  25           3HE      MET  25  -1.886   2.659  -7.998
  192    HE2  MET  25           1HE      MET  25  -2.752   2.173  -9.475
  193    HE3  MET  25           2HE      MET  25  -3.372   1.687  -7.880
  194    H    ASN  26           H        ASN  26  -5.079  -0.775  -4.985
  195    HA   ASN  26           HA       ASN  26  -6.324   1.544  -6.029
  196    HB2  ASN  26           2HB      ASN  26  -7.107  -0.971  -5.981
  197    HB3  ASN  26           1HB      ASN  26  -7.735  -0.598  -4.378
  198   HD21  ASN  26          2HD2      ASN  26  -7.900   0.213  -7.824
  199   HD22  ASN  26          1HD2      ASN  26  -9.528   0.939  -7.762
  200    H    VAL  27           H        VAL  27  -5.952   0.579  -2.580
  201    HA   VAL  27           HA       VAL  27  -7.388   2.710  -1.506
  202    HB   VAL  27           HB       VAL  27  -6.499   0.571  -0.501
  203   HG11  VAL  27          1HG1      VAL  27  -4.780   0.921   1.198
  204   HG12  VAL  27          2HG1      VAL  27  -4.099   1.051  -0.441
  205   HG13  VAL  27          3HG1      VAL  27  -4.410   2.521   0.513
  206   HG21  VAL  27          3HG2      VAL  27  -8.193   1.963   0.383
  207   HG22  VAL  27          1HG2      VAL  27  -7.052   1.507   1.671
  208   HG23  VAL  27          2HG2      VAL  27  -6.992   3.140   0.966
  209    H    HIS  28           H        HIS  28  -4.200   2.951  -3.081
  210    HA   HIS  28           HA       HIS  28  -3.242   5.224  -1.947
  211    HB2  HIS  28           2HB      HIS  28  -3.159   4.310  -4.793
  212    HB3  HIS  28           1HB      HIS  28  -2.238   5.705  -4.147
  213    HD1  HIS  28           1HD      HIS  28  -1.603   4.302  -1.433
  214    HD2  HIS  28           2HD      HIS  28  -0.916   2.721  -5.223
  215    HE1  HIS  28           1HE      HIS  28   0.322   2.538  -1.155
  216    H    ARG  29           H        ARG  29  -3.160   7.433  -3.430
  217    HA   ARG  29           HA       ARG  29  -4.284   9.483  -3.554
  218    HB2  ARG  29           2HB      ARG  29  -5.847   7.652  -5.409
  219    HB3  ARG  29           1HB      ARG  29  -6.400   9.268  -5.127
  220    HG2  ARG  29           2HG      ARG  29  -3.782   9.766  -5.673
  221    HG3  ARG  29           1HG      ARG  29  -4.075   8.315  -6.637
  222    HD2  ARG  29           2HD      ARG  29  -6.165  10.448  -6.674
  223    HD3  ARG  29           1HD      ARG  29  -4.621  10.750  -7.538
  224    HE   ARG  29           HE       ARG  29  -5.236   9.301  -9.140
  225   HH11  ARG  29          2HH2      ARG  29  -7.562   8.658  -6.510
  226   HH12  ARG  29          1HH2      ARG  29  -8.628   7.741  -7.607
  227   HH21  ARG  29          2HH1      ARG  29  -6.605   8.118 -10.429
  228   HH22  ARG  29          1HH1      ARG  29  -8.105   7.445  -9.739
  229    H    ARG  30           H        ARG  30  -4.492   9.174  -1.203
  230    HA   ARG  30           HA       ARG  30  -7.065  10.370  -0.520
  231    HB2  ARG  30           2HB      ARG  30  -6.982   7.612  -0.235
  232    HB3  ARG  30           1HB      ARG  30  -6.429   8.175   1.345
  233    HG2  ARG  30           2HG      ARG  30  -8.764   8.106   1.580
  234    HG3  ARG  30           1HG      ARG  30  -8.456   9.818   1.227
  235    HD2  ARG  30           2HD      ARG  30  -8.834   9.156  -1.283
  236    HD3  ARG  30           1HD      ARG  30  -9.545   7.678  -0.651
  237    HE   ARG  30           HE       ARG  30 -10.662   9.923   0.662
  238   HH11  ARG  30          2HH2      ARG  30 -10.912   7.952  -2.267
  239   HH12  ARG  30          1HH2      ARG  30 -12.494   8.644  -2.714
  240   HH21  ARG  30          2HH1      ARG  30 -12.702  10.765   0.066
  241   HH22  ARG  30          1HH1      ARG  30 -13.477  10.185  -1.433
  242    H    ASP  31           H        ASP  31  -6.331  12.142   0.478
  243    HA   ASP  31           HA       ASP  31  -4.199  11.841   2.562
  244    HB2  ASP  31           2HB      ASP  31  -3.667  12.941   0.155
  245    HB3  ASP  31           1HB      ASP  31  -4.264  14.360   1.018
  246    H    ARG  32           H        ARG  32  -5.764  11.728   4.158
  247    HA   ARG  32           HA       ARG  32  -6.613  14.209   5.346
  248    HB2  ARG  32           2HB      ARG  32  -8.570  12.886   3.567
  249    HB3  ARG  32           1HB      ARG  32  -9.135  12.898   5.203
  250    HG2  ARG  32           2HG      ARG  32  -8.196  15.369   3.714
  251    HG3  ARG  32           1HG      ARG  32  -9.858  14.868   3.935
  252    HD2  ARG  32           2HD      ARG  32  -9.203  14.879   6.510
  253    HD3  ARG  32           1HD      ARG  32  -7.928  15.967   5.946
  254    HE   ARG  32           HE       ARG  32  -9.484  17.572   5.569
  255   HH11  ARG  32          2HH2      ARG  32 -11.270  14.502   5.766
  256   HH12  ARG  32          1HH2      ARG  32 -12.853  15.325   5.748
  257   HH21  ARG  32          2HH1      ARG  32 -11.535  18.562   5.560
  258   HH22  ARG  32          1HH1      ARG  32 -12.997  17.542   5.635
  259    H    ALA  33           H        ALA  33  -5.373  13.465   7.011
  260    HA   ALA  33           HA       ALA  33  -6.729  11.971   9.049
  261    HB1  ALA  33           1HB      ALA  33  -5.045  10.202   9.323
  262    HB2  ALA  33           2HB      ALA  33  -5.880  10.039   7.760
  263    HB3  ALA  33           3HB      ALA  33  -4.237  10.720   7.825
  264    H    ARG  34           H        ARG  34  -5.923  12.502  11.018
  265    HA   ARG  34           HA       ARG  34  -3.234  13.412  11.552
  266    HB2  ARG  34           2HB      ARG  34  -4.242  15.542  10.533
  267    HB3  ARG  34           1HB      ARG  34  -5.498  15.502  11.727
  268    HG2  ARG  34           2HG      ARG  34  -3.991  16.985  12.685
  269    HG3  ARG  34           1HG      ARG  34  -3.477  15.520  13.463
  270    HD2  ARG  34           2HD      ARG  34  -1.486  15.963  12.764
  271    HD3  ARG  34           1HD      ARG  34  -2.040  15.538  11.105
  272    HE   ARG  34           HE       ARG  34  -2.908  18.143  11.630
  273   HH11  ARG  34          2HH2      ARG  34   0.235  16.603  11.002
  274   HH12  ARG  34          1HH2      ARG  34   0.976  18.149  10.508
  275   HH21  ARG  34          2HH1      ARG  34  -1.927  20.054  10.986
  276   HH22  ARG  34          1HH1      ARG  34  -0.211  20.042  10.497
  277    H    LEU  35           H        LEU  35  -3.406  11.642  12.949
  278    HA   LEU  35           HA       LEU  35  -3.871  10.438  14.889
  279    HB2  LEU  35           2HB      LEU  35  -4.333  13.226  15.987
  280    HB3  LEU  35           1HB      LEU  35  -4.077  11.790  16.924
  281    HG   LEU  35           HG       LEU  35  -2.048  12.733  14.885
  282   HD11  LEU  35          1HD1      LEU  35  -0.915  13.793  16.765
  283   HD12  LEU  35          2HD1      LEU  35  -2.508  14.534  16.482
  284   HD13  LEU  35          3HD1      LEU  35  -2.283  13.397  17.832
  285   HD21  LEU  35          3HD2      LEU  35  -1.846  10.391  15.636
  286   HD22  LEU  35          1HD2      LEU  35  -0.527  11.411  16.260
  287   HD23  LEU  35          2HD2      LEU  35  -1.870  10.940  17.329
  288    H    ARG  36           H        ARG  36  -5.597  10.271  16.826
  289    HA   ARG  36           HA       ARG  36  -8.332  10.377  15.627
  290    HB2  ARG  36           2HB      ARG  36  -6.931   8.300  17.338
  291    HB3  ARG  36           1HB      ARG  36  -8.647   8.536  17.550
  292    HG2  ARG  36           2HG      ARG  36  -7.855   8.299  14.704
  293    HG3  ARG  36           1HG      ARG  36  -7.509   6.884  15.675
  294    HD2  ARG  36           2HD      ARG  36  -9.743   6.584  14.838
  295    HD3  ARG  36           1HD      ARG  36  -9.962   7.017  16.508
  296    HE   ARG  36           HE       ARG  36 -10.001   9.303  14.803
  297   HH11  ARG  36          2HH2      ARG  36 -11.992   6.694  16.169
  298   HH12  ARG  36          1HH2      ARG  36 -13.516   7.512  15.731
  299   HH21  ARG  36          2HH1      ARG  36 -11.987  10.334  14.350
  300   HH22  ARG  36          1HH1      ARG  36 -13.513   9.496  14.742
  301    H    LEU  37           H        LEU  37  -8.804  12.385  16.173
  302    HA   LEU  37           HA       LEU  37  -9.731  14.042  17.381
  303    HB2  LEU  37           2HB      LEU  37 -10.049  11.905  19.400
  304    HB3  LEU  37           1HB      LEU  37 -10.427  13.621  19.767
  305    HG   LEU  37           HG       LEU  37 -11.909  13.528  17.661
  306   HD11  LEU  37          1HD1      LEU  37 -12.839  11.374  17.066
  307   HD12  LEU  37          2HD1      LEU  37 -11.104  11.476  16.682
  308   HD13  LEU  37          3HD1      LEU  37 -11.647  10.560  18.108
  309   HD21  LEU  37          3HD2      LEU  37 -12.751  13.634  19.991
  310   HD22  LEU  37          1HD2      LEU  37 -13.772  12.573  18.991
  311   HD23  LEU  37          2HD2      LEU  37 -12.598  11.866  20.127
  312    HN1  NH2  38           3HN      NH2  38  -8.661  13.342  17.013
  313    HN2  NH2  38           2HN      NH2  38  -9.844  14.323  17.811
  Start of MODEL    8
    1    H1   ACE   0           2H1      ACE   0  14.144  -6.102  -6.332
    2    H2   ACE   0           3H1      ACE   0  14.992  -6.518  -7.841
    3    H3   ACE   0           1H1      ACE   0  14.157  -4.953  -7.691
    4    H    TRP   1           H        TRP   1  11.791  -5.499  -6.655
    5    HA   TRP   1           HA       TRP   1   9.660  -6.255  -7.222
    6    HB2  TRP   1           2HB      TRP   1  10.100  -5.325  -9.396
    7    HB3  TRP   1           1HB      TRP   1  11.054  -6.770  -9.859
    8    HD1  TRP   1           HD       TRP   1   9.769  -8.351 -11.266
    9    HE1  TRP   1           1HE      TRP   1   7.230  -9.100 -11.620
   10    HE3  TRP   1           3HE      TRP   1   7.705  -5.615  -7.620
   11    HZ2  TRP   1           2HZ      TRP   1   4.766  -8.449 -10.371
   12    HZ3  TRP   1           3HZ      TRP   1   5.372  -5.214  -7.562
   13    HH2  TRP   1           HH       TRP   1   3.762  -6.739  -8.845
   14    HA   PRO   2           HA       PRO   2  10.966 -10.563  -6.169
   15    HB2  PRO   2           2HB      PRO   2   9.913 -10.676  -3.693
   16    HB3  PRO   2           1HB      PRO   2  11.460  -9.875  -3.962
   17    HG2  PRO   2           2HG      PRO   2   8.690  -8.604  -3.711
   18    HG3  PRO   2           1HG      PRO   2  10.185  -8.114  -2.919
   19    HD2  PRO   2           1HD      PRO   2   9.310  -6.936  -5.317
   20    HD3  PRO   2           2HD      PRO   2  11.081  -7.130  -4.949
   21    HA   PRO   3           HA       PRO   3   6.991 -12.168  -7.284
   22    HB2  PRO   3           2HB      PRO   3   7.350 -14.837  -6.779
   23    HB3  PRO   3           1HB      PRO   3   8.087 -14.024  -8.159
   24    HG2  PRO   3           2HG      PRO   3   9.338 -14.653  -5.441
   25    HG3  PRO   3           1HG      PRO   3  10.028 -14.910  -7.042
   26    HD2  PRO   3           1HD      PRO   3  10.605 -12.603  -5.543
   27    HD3  PRO   3           2HD      PRO   3  10.460 -12.516  -7.362
   28    H    ARG   4           H        ARG   4   8.308 -13.165  -4.088
   29    HA   ARG   4           HA       ARG   4   5.595 -13.512  -2.967
   30    HB2  ARG   4           2HB      ARG   4   8.371 -14.148  -1.810
   31    HB3  ARG   4           1HB      ARG   4   6.851 -14.509  -1.036
   32    HG2  ARG   4           2HG      ARG   4   6.290 -16.168  -2.680
   33    HG3  ARG   4           1HG      ARG   4   7.546 -15.631  -3.774
   34    HD2  ARG   4           2HD      ARG   4   8.628 -17.465  -2.798
   35    HD3  ARG   4           1HD      ARG   4   9.148 -16.263  -1.672
   36    HE   ARG   4           HE       ARG   4   7.915 -17.201  -0.069
   37   HH11  ARG   4          2HH2      ARG   4   6.668 -18.498  -3.135
   38   HH12  ARG   4          1HH2      ARG   4   5.833 -19.847  -2.320
   39   HH21  ARG   4          2HH1      ARG   4   6.828 -18.950   0.908
   40   HH22  ARG   4          1HH1      ARG   4   5.920 -20.093  -0.117
   41    H    SER   5           H        SER   5   4.751 -12.206  -1.589
   42    HA   SER   5           HA       SER   5   4.148 -10.246  -0.531
   43    HB2  SER   5           2HB      SER   5   5.266  -9.394   1.068
   44    HB3  SER   5           1HB      SER   5   6.051 -11.002   0.940
   45    HG   SER   5           HG       SER   5   7.796  -9.973  -0.213
   46    H    TYR   6           H        TYR   6   3.408  -8.567  -1.472
   47    HA   TYR   6           HA       TYR   6   5.235  -6.819  -3.082
   48    HB2  TYR   6           1HB      TYR   6   2.386  -7.433  -3.534
   49    HB3  TYR   6           2HB      TYR   6   3.250  -6.317  -4.355
   50    HD1  TYR   6           1HD      TYR   6   5.466  -7.184  -5.501
   51    HD2  TYR   6           2HD      TYR   6   2.012  -9.536  -4.513
   52    HE1  TYR   6           1HE      TYR   6   5.972  -8.697  -7.373
   53    HE2  TYR   6           2HE      TYR   6   2.510 -11.059  -6.388
   54    HH   TYR   6           HH       TYR   6   4.933 -11.414  -8.283
   55    H    THR   7           H        THR   7   5.158  -4.749  -2.979
   56    HA   THR   7           HA       THR   7   4.082  -3.466  -0.581
   57    HB   THR   7           HB       THR   7   5.923  -2.649  -2.829
   58    HG1  THR   7           1HG      THR   7   6.295  -3.493  -0.075
   59   HG21  THR   7          3HG2      THR   7   5.404  -1.160  -0.239
   60   HG22  THR   7          1HG2      THR   7   6.672  -0.790  -1.432
   61   HG23  THR   7          2HG2      THR   7   4.956  -0.613  -1.872
   62    H    CYS   8           H        CYS   8   2.816  -1.546  -0.614
   63    HA   CYS   8           HA       CYS   8   0.894  -1.468  -2.818
   64    HB2  CYS   8           2HB      CYS   8   0.518  -1.600  -0.098
   65    HB3  CYS   8           1HB      CYS   8   0.266   0.120  -0.454
   66    H    SER   9           H        SER   9   3.674   0.103  -1.656
   67    HA   SER   9           HA       SER   9   4.838   2.026  -2.029
   68    HB2  SER   9           2HB      SER   9   4.602   3.476  -3.600
   69    HB3  SER   9           1HB      SER   9   3.987   1.943  -4.294
   70    HG   SER   9           HG       SER   9   2.118   2.869  -4.669
   71    H    PHE  10           H        PHE  10   1.397   2.938  -1.869
   72    HA   PHE  10           HA       PHE  10   1.633   5.145  -0.290
   73    HB2  PHE  10           1HB      PHE  10  -0.290   3.494  -1.411
   74    HB3  PHE  10           2HB      PHE  10  -0.754   3.637   0.148
   75    HD1  PHE  10           1HD      PHE  10  -1.495   5.787   1.121
   76    HD2  PHE  10           2HD      PHE  10  -0.643   5.128  -3.034
   77    HE1  PHE  10           1HE      PHE  10  -3.036   7.636   0.511
   78    HE2  PHE  10           2HE      PHE  10  -2.134   7.015  -3.645
   79    HZ   PHE  10           HZ       PHE  10  -3.436   8.169  -1.866
   80    H    CYS  11           H        CYS  11   1.231   1.690   0.960
   81    HA   CYS  11           HA       CYS  11   1.622   2.903   3.615
   82    HB2  CYS  11           2HB      CYS  11   0.661   0.887   4.558
   83    HB3  CYS  11           1HB      CYS  11  -0.468   1.645   3.418
   84    H    LYS  12           H        LYS  12   3.712   2.164   1.353
   85    HA   LYS  12           HA       LYS  12   5.101   0.296   0.718
   86    HB2  LYS  12           2HB      LYS  12   7.128   0.954   1.767
   87    HB3  LYS  12           1HB      LYS  12   6.101   2.427   1.764
   88    HG2  LYS  12           2HG      LYS  12   5.526   1.812   4.207
   89    HG3  LYS  12           1HG      LYS  12   6.862   0.675   4.129
   90    HD2  LYS  12           2HD      LYS  12   8.334   2.655   3.376
   91    HD3  LYS  12           1HD      LYS  12   6.994   3.696   3.819
   92    HE2  LYS  12           2HE      LYS  12   8.134   3.688   5.817
   93    HE3  LYS  12           1HE      LYS  12   7.126   2.275   6.105
   94    HZ1  LYS  12           3HZ      LYS  12   9.886   2.348   5.231
   95    HZ2  LYS  12           1HZ      LYS  12   8.841   0.937   5.992
   96    HZ3  LYS  12           2HZ      LYS  12   9.567   1.741   4.706
   97    H    ARG  13           H        ARG  13   3.062  -0.865   2.601
   98    HA   ARG  13           HA       ARG  13   4.622  -2.864   3.979
   99    HB2  ARG  13           2HB      ARG  13   2.648  -1.749   4.984
  100    HB3  ARG  13           1HB      ARG  13   1.623  -2.395   3.662
  101    HG2  ARG  13           2HG      ARG  13   2.098  -4.730   4.513
  102    HG3  ARG  13           1HG      ARG  13   3.010  -4.061   5.832
  103    HD2  ARG  13           2HD      ARG  13   0.212  -3.121   5.406
  104    HD3  ARG  13           1HD      ARG  13   0.540  -4.733   6.115
  105    HE   ARG  13           HE       ARG  13   0.716  -2.201   7.395
  106   HH11  ARG  13          2HH2      ARG  13   2.510  -5.272   7.379
  107   HH12  ARG  13          1HH2      ARG  13   2.927  -5.124   9.107
  108   HH21  ARG  13          2HH1      ARG  13   1.292  -2.076   9.585
  109   HH22  ARG  13          1HH1      ARG  13   2.266  -3.386  10.306
  110    H    GLU  14           H        GLU  14   4.704  -4.892   3.708
  111    HA   GLU  14           HA       GLU  14   4.390  -6.017   0.982
  112    HB2  GLU  14           2HB      GLU  14   5.675  -7.840   1.786
  113    HB3  GLU  14           1HB      GLU  14   6.499  -6.241   1.850
  114    HG2  GLU  14           2HG      GLU  14   5.302  -7.422   4.369
  115    HG3  GLU  14           1HG      GLU  14   6.866  -7.964   3.811
  116    H    PHE  15           H        PHE  15   2.590  -6.874   0.442
  117    HA   PHE  15           HA       PHE  15   1.088  -8.604   2.350
  118    HB2  PHE  15           1HB      PHE  15   0.276  -7.443  -0.244
  119    HB3  PHE  15           2HB      PHE  15  -0.683  -8.286   0.774
  120    HD1  PHE  15           2HD      PHE  15  -1.610  -7.353   2.808
  121    HD2  PHE  15           1HD      PHE  15   0.879  -5.072   0.143
  122    HE1  PHE  15           2HE      PHE  15  -2.212  -5.274   4.017
  123    HE2  PHE  15           1HE      PHE  15   0.170  -2.991   1.270
  124    HZ   PHE  15           HZ       PHE  15  -1.191  -3.113   3.333
  125    H    ARG  16           H        ARG  16   1.170 -10.741   2.127
  126    HA   ARG  16           HA       ARG  16   2.185 -12.130  -0.186
  127    HB2  ARG  16           2HB      ARG  16   1.075 -12.720   2.499
  128    HB3  ARG  16           1HB      ARG  16   0.747 -13.966   1.253
  129    HG2  ARG  16           2HG      ARG  16   2.813 -14.642   2.362
  130    HG3  ARG  16           1HG      ARG  16   3.314 -13.996   0.841
  131    HD2  ARG  16           2HD      ARG  16   4.141 -12.082   1.741
  132    HD3  ARG  16           1HD      ARG  16   3.190 -12.273   3.261
  133    HE   ARG  16           HE       ARG  16   4.832 -14.563   2.781
  134   HH11  ARG  16          2HH2      ARG  16   5.303 -11.221   3.912
  135   HH12  ARG  16          1HH2      ARG  16   6.701 -11.684   4.920
  136   HH21  ARG  16          2HH1      ARG  16   6.563 -15.090   4.107
  137   HH22  ARG  16          1HH1      ARG  16   7.391 -13.805   5.026
  138    H    SER  17           H        SER  17   0.170 -10.378  -1.096
  139    HA   SER  17           HA       SER  17  -2.110 -12.106  -1.896
  140    HB2  SER  17           2HB      SER  17  -2.281  -9.508  -0.362
  141    HB3  SER  17           1HB      SER  17  -3.590 -10.101  -1.406
  142    HG   SER  17           HG       SER  17  -2.401 -11.816   0.578
  143    H    ALA  18           H        ALA  18  -3.206 -11.411  -3.693
  144    HA   ALA  18           HA       ALA  18  -1.887  -9.308  -5.374
  145    HB1  ALA  18           1HB      ALA  18  -2.707 -10.507  -7.281
  146    HB2  ALA  18           2HB      ALA  18  -1.622 -11.499  -6.279
  147    HB3  ALA  18           3HB      ALA  18  -3.380 -11.766  -6.219
  148    H    GLN  19           H        GLN  19  -5.157 -10.866  -5.380
  149    HA   GLN  19           HA       GLN  19  -6.598  -8.642  -6.168
  150    HB2  GLN  19           2HB      GLN  19  -7.343 -11.132  -6.029
  151    HB3  GLN  19           1HB      GLN  19  -7.626 -10.878  -4.322
  152    HG2  GLN  19           2HG      GLN  19  -9.137  -8.894  -5.066
  153    HG3  GLN  19           1HG      GLN  19  -9.068  -9.646  -6.665
  154   HE21  GLN  19          2HE2      GLN  19  -9.940 -11.776  -6.972
  155   HE22  GLN  19          1HE2      GLN  19 -11.095 -12.452  -5.793
  156    H    ALA  20           H        ALA  20  -6.391  -9.863  -2.753
  157    HA   ALA  20           HA       ALA  20  -7.504  -7.757  -1.347
  158    HB1  ALA  20           1HB      ALA  20  -6.209  -8.482   0.503
  159    HB2  ALA  20           2HB      ALA  20  -6.888  -9.865  -0.388
  160    HB3  ALA  20           3HB      ALA  20  -5.166  -9.452  -0.564
  161    H    LEU  21           H        LEU  21  -4.286  -7.692  -2.905
  162    HA   LEU  21           HA       LEU  21  -3.388  -5.296  -1.446
  163    HB2  LEU  21           2HB      LEU  21  -1.989  -7.285  -2.222
  164    HB3  LEU  21           1HB      LEU  21  -2.162  -6.571  -3.859
  165    HG   LEU  21           HG       LEU  21  -1.126  -4.969  -1.533
  166   HD11  LEU  21          1HD1      LEU  21   1.157  -5.681  -2.372
  167   HD12  LEU  21          2HD1      LEU  21   0.214  -7.084  -1.814
  168   HD13  LEU  21          3HD1      LEU  21   0.363  -6.747  -3.555
  169   HD21  LEU  21          3HD2      LEU  21  -1.687  -3.692  -3.555
  170   HD22  LEU  21          1HD2      LEU  21   0.068  -3.700  -3.258
  171   HD23  LEU  21          2HD2      LEU  21  -0.626  -4.745  -4.520
  172    H    GLY  22           H        GLY  22  -4.193  -6.129  -4.943
  173    HA2  GLY  22           2HA      GLY  22  -4.112  -3.568  -6.025
  174    HA3  GLY  22           1HA      GLY  22  -5.186  -4.847  -6.567
  175    H    GLY  23           H        GLY  23  -6.987  -5.219  -4.523
  176    HA2  GLY  23           2HA      GLY  23  -8.757  -2.991  -4.463
  177    HA3  GLY  23           1HA      GLY  23  -8.794  -4.360  -3.387
  178    H    HIS  24           H        HIS  24  -6.147  -3.966  -2.142
  179    HA   HIS  24           HA       HIS  24  -7.076  -2.272  -0.093
  180    HB2  HIS  24           2HB      HIS  24  -5.862  -4.077   0.579
  181    HB3  HIS  24           1HB      HIS  24  -4.545  -3.763  -0.594
  182    HD1  HIS  24           1HD      HIS  24  -4.993  -3.760   2.773
  183    HD2  HIS  24           2HD      HIS  24  -3.515  -0.877   0.158
  184    HE1  HIS  24           1HE      HIS  24  -3.521  -2.138   4.221
  185    H    MET  25           H        MET  25  -4.559  -1.920  -2.624
  186    HA   MET  25           HA       MET  25  -3.606   0.660  -2.222
  187    HB2  MET  25           2HB      MET  25  -3.293  -1.365  -4.017
  188    HB3  MET  25           1HB      MET  25  -4.244  -0.197  -4.993
  189    HG2  MET  25           2HG      MET  25  -1.622   0.375  -3.602
  190    HG3  MET  25           1HG      MET  25  -1.837   0.018  -5.351
  191    HE1  MET  25           3HE      MET  25  -0.705   1.975  -6.355
  192    HE2  MET  25           1HE      MET  25  -0.800   3.641  -5.737
  193    HE3  MET  25           2HE      MET  25  -0.111   2.353  -4.721
  194    H    ASN  26           H        ASN  26  -6.555  -0.363  -4.042
  195    HA   ASN  26           HA       ASN  26  -7.348   2.291  -4.777
  196    HB2  ASN  26           2HB      ASN  26  -8.071   0.001  -5.806
  197    HB3  ASN  26           1HB      ASN  26  -9.190  -0.117  -4.451
  198   HD21  ASN  26          2HD2      ASN  26  -8.156   2.062  -7.098
  199   HD22  ASN  26          1HD2      ASN  26  -9.774   2.760  -7.379
  200    H    VAL  27           H        VAL  27  -8.237   0.320  -1.900
  201    HA   VAL  27           HA       VAL  27 -10.062   2.093  -0.802
  202    HB   VAL  27           HB       VAL  27  -9.424  -0.268  -0.189
  203   HG11  VAL  27          1HG1      VAL  27  -8.405  -0.475   2.020
  204   HG12  VAL  27          2HG1      VAL  27  -7.221   0.089   0.817
  205   HG13  VAL  27          3HG1      VAL  27  -7.929   1.239   1.976
  206   HG21  VAL  27          3HG2      VAL  27 -11.403   0.889   0.433
  207   HG22  VAL  27          1HG2      VAL  27 -10.730   0.042   1.845
  208   HG23  VAL  27          2HG2      VAL  27 -10.532   1.803   1.687
  209    H    HIS  28           H        HIS  28  -6.546   2.606  -1.007
  210    HA   HIS  28           HA       HIS  28  -6.116   4.353   1.051
  211    HB2  HIS  28           2HB      HIS  28  -4.969   4.295  -1.712
  212    HB3  HIS  28           1HB      HIS  28  -4.377   5.336  -0.380
  213    HD1  HIS  28           1HD      HIS  28  -4.800   3.105   1.785
  214    HD2  HIS  28           2HD      HIS  28  -2.664   2.723  -1.768
  215    HE1  HIS  28           1HE      HIS  28  -3.079   1.160   2.168
  216    H    ARG  29           H        ARG  29  -7.263   5.207  -2.287
  217    HA   ARG  29           HA       ARG  29  -7.685   7.315  -3.243
  218    HB2  ARG  29           2HB      ARG  29  -9.557   7.039  -0.877
  219    HB3  ARG  29           1HB      ARG  29  -9.638   8.405  -1.992
  220    HG2  ARG  29           2HG      ARG  29  -9.841   6.733  -3.896
  221    HG3  ARG  29           1HG      ARG  29  -9.968   5.458  -2.686
  222    HD2  ARG  29           2HD      ARG  29 -11.935   6.409  -1.760
  223    HD3  ARG  29           1HD      ARG  29 -11.753   7.883  -2.783
  224    HE   ARG  29           HE       ARG  29 -12.182   6.536  -4.733
  225   HH11  ARG  29          2HH2      ARG  29 -12.879   4.778  -1.730
  226   HH12  ARG  29          1HH2      ARG  29 -13.842   3.539  -2.580
  227   HH21  ARG  29          2HH1      ARG  29 -13.344   4.905  -5.775
  228   HH22  ARG  29          1HH1      ARG  29 -14.097   3.609  -4.806
  229    H    ARG  30           H        ARG  30  -6.600   8.948  -3.656
  230    HA   ARG  30           HA       ARG  30  -5.470  10.672  -1.538
  231    HB2  ARG  30           2HB      ARG  30  -5.368  10.651  -4.536
  232    HB3  ARG  30           1HB      ARG  30  -5.000  12.127  -3.626
  233    HG2  ARG  30           2HG      ARG  30  -3.440  10.426  -2.200
  234    HG3  ARG  30           1HG      ARG  30  -3.474   9.506  -3.674
  235    HD2  ARG  30           2HD      ARG  30  -2.672  12.434  -3.597
  236    HD3  ARG  30           1HD      ARG  30  -1.550  11.098  -3.462
  237    HE   ARG  30           HE       ARG  30  -3.151  10.723  -5.745
  238   HH11  ARG  30          2HH2      ARG  30  -0.674  12.992  -4.594
  239   HH12  ARG  30          1HH2      ARG  30  -0.025  13.252  -6.235
  240   HH21  ARG  30          2HH1      ARG  30  -2.281  11.087  -7.815
  241   HH22  ARG  30          1HH1      ARG  30  -0.906  12.209  -7.999
  242    H    ASP  31           H        ASP  31  -7.540  10.721  -0.486
  243    HA   ASP  31           HA       ASP  31  -8.621  13.435  -1.067
  244    HB2  ASP  31           2HB      ASP  31 -10.799  12.662  -0.249
  245    HB3  ASP  31           1HB      ASP  31 -10.258  11.982  -1.821
  246    H    ARG  32           H        ARG  32  -6.496  12.381   0.879
  247    HA   ARG  32           HA       ARG  32  -7.553  13.703   3.281
  248    HB2  ARG  32           2HB      ARG  32  -7.538  11.175   3.498
  249    HB3  ARG  32           1HB      ARG  32  -5.763  11.236   3.239
  250    HG2  ARG  32           2HG      ARG  32  -6.005  11.066   5.619
  251    HG3  ARG  32           1HG      ARG  32  -5.731  12.765   5.371
  252    HD2  ARG  32           2HD      ARG  32  -8.583  12.138   5.245
  253    HD3  ARG  32           1HD      ARG  32  -7.835  11.618   6.753
  254    HE   ARG  32           HE       ARG  32  -7.007  14.249   5.989
  255   HH11  ARG  32          2HH2      ARG  32  -9.338  12.396   7.899
  256   HH12  ARG  32          1HH2      ARG  32  -9.929  13.846   8.755
  257   HH21  ARG  32          2HH1      ARG  32  -7.777  16.071   7.132
  258   HH22  ARG  32          1HH1      ARG  32  -9.074  15.853   8.337
  259    H    ALA  33           H        ALA  33  -6.051  15.274   3.943
  260    HA   ALA  33           HA       ALA  33  -3.660  15.918   2.615
  261    HB1  ALA  33           1HB      ALA  33  -3.195  17.283   4.613
  262    HB2  ALA  33           2HB      ALA  33  -4.888  17.450   4.094
  263    HB3  ALA  33           3HB      ALA  33  -4.484  16.433   5.497
  264    H    ARG  34           H        ARG  34  -1.498  15.392   2.959
  265    HA   ARG  34           HA       ARG  34  -0.694  12.853   3.567
  266    HB2  ARG  34           2HB      ARG  34   1.014  15.375   3.928
  267    HB3  ARG  34           1HB      ARG  34   1.628  13.758   3.779
  268    HG2  ARG  34           2HG      ARG  34   1.826  14.347   1.593
  269    HG3  ARG  34           1HG      ARG  34   0.147  13.883   1.482
  270    HD2  ARG  34           2HD      ARG  34  -0.024  15.938   0.577
  271    HD3  ARG  34           1HD      ARG  34  -0.196  16.433   2.273
  272    HE   ARG  34           HE       ARG  34   2.550  16.301   1.585
  273   HH11  ARG  34          2HH2      ARG  34  -0.237  18.485   1.283
  274   HH12  ARG  34          1HH2      ARG  34   0.796  19.866   0.827
  275   HH21  ARG  34          2HH1      ARG  34   3.806  18.100   1.038
  276   HH22  ARG  34          1HH1      ARG  34   3.003  19.656   0.697
  277    H    LEU  35           H        LEU  35  -0.573  15.440   6.000
  278    HA   LEU  35           HA       LEU  35  -0.272  15.377   8.324
  279    HB2  LEU  35           2HB      LEU  35  -2.207  13.135   7.932
  280    HB3  LEU  35           1HB      LEU  35  -1.921  14.109   9.411
  281    HG   LEU  35           HG       LEU  35  -2.947  15.304   6.793
  282   HD11  LEU  35          1HD1      LEU  35  -5.142  15.263   7.825
  283   HD12  LEU  35          2HD1      LEU  35  -4.513  13.613   7.604
  284   HD13  LEU  35          3HD1      LEU  35  -4.493  14.365   9.217
  285   HD21  LEU  35          3HD2      LEU  35  -1.855  16.891   8.327
  286   HD22  LEU  35          1HD2      LEU  35  -3.611  17.156   8.209
  287   HD23  LEU  35          2HD2      LEU  35  -2.927  16.345   9.638
  288    H    ARG  36           H        ARG  36   2.063  14.685   7.907
  289    HA   ARG  36           HA       ARG  36   2.810  11.901   8.215
  290    HB2  ARG  36           2HB      ARG  36   4.113  13.945   7.164
  291    HB3  ARG  36           1HB      ARG  36   4.659  14.159   8.850
  292    HG2  ARG  36           2HG      ARG  36   5.049  11.444   8.619
  293    HG3  ARG  36           1HG      ARG  36   5.246  11.854   6.950
  294    HD2  ARG  36           2HD      ARG  36   6.828  13.704   8.526
  295    HD3  ARG  36           1HD      ARG  36   7.168  12.069   9.006
  296    HE   ARG  36           HE       ARG  36   8.063  13.323   6.761
  297   HH11  ARG  36          2HH2      ARG  36   6.585  10.127   7.359
  298   HH12  ARG  36          1HH2      ARG  36   7.492   9.393   6.009
  299   HH21  ARG  36          2HH1      ARG  36   9.133  12.330   5.072
  300   HH22  ARG  36          1HH1      ARG  36   8.877  10.592   4.766
  301    H    LEU  37           H        LEU  37   3.571  10.801   9.840
  302    HA   LEU  37           HA       LEU  37   3.072  11.832  12.572
  303    HB2  LEU  37           2HB      LEU  37   2.942   9.421  13.181
  304    HB3  LEU  37           1HB      LEU  37   1.632  10.058  12.134
  305    HG   LEU  37           HG       LEU  37   3.908   8.755  10.721
  306   HD11  LEU  37          1HD1      LEU  37   3.054   6.503  11.200
  307   HD12  LEU  37          2HD1      LEU  37   3.652   7.281  12.685
  308   HD13  LEU  37          3HD1      LEU  37   1.902   7.179  12.377
  309   HD21  LEU  37          3HD2      LEU  37   1.902   9.613   9.556
  310   HD22  LEU  37          1HD2      LEU  37   2.053   7.848   9.393
  311   HD23  LEU  37          2HD2      LEU  37   0.878   8.539  10.537
  312    HN1  NH2  38           3HN      NH2  38   4.586   8.920  12.757
  313    HN2  NH2  38           2HN      NH2  38   4.402   9.440  11.115
  Start of MODEL    9
    1    H1   ACE   0           2H1      ACE   0  14.080  -8.347  -6.133
    2    H2   ACE   0           3H1      ACE   0  14.099  -6.567  -6.137
    3    H3   ACE   0           1H1      ACE   0  14.337  -7.457  -4.614
    4    H    TRP   1           H        TRP   1  12.497  -9.216  -4.364
    5    HA   TRP   1           HA       TRP   1  10.193  -8.017  -3.485
    6    HB2  TRP   1           2HB      TRP   1  10.209  -8.123  -6.438
    7    HB3  TRP   1           1HB      TRP   1   8.740  -8.766  -5.638
    8    HD1  TRP   1           HD       TRP   1  10.191  -6.051  -3.699
    9    HE1  TRP   1           1HE      TRP   1   8.749  -3.819  -3.953
   10    HE3  TRP   1           3HE      TRP   1   7.179  -7.565  -7.398
   11    HZ2  TRP   1           2HZ      TRP   1   6.611  -3.005  -5.629
   12    HZ3  TRP   1           3HZ      TRP   1   5.924  -6.011  -8.666
   13    HH2  TRP   1           HH       TRP   1   5.454  -3.664  -7.748
   14    HA   PRO   2           HA       PRO   2   9.723 -12.297  -2.354
   15    HB2  PRO   2           2HB      PRO   2   7.424 -12.103  -1.129
   16    HB3  PRO   2           1HB      PRO   2   9.028 -11.555  -0.441
   17    HG2  PRO   2           2HG      PRO   2   6.781  -9.982  -1.690
   18    HG3  PRO   2           1HG      PRO   2   7.738  -9.615  -0.172
   19    HD2  PRO   2           1HD      PRO   2   8.423  -8.447  -2.712
   20    HD3  PRO   2           2HD      PRO   2   9.696  -8.905  -1.486
   21    HA   PRO   3           HA       PRO   3   7.402 -14.155  -5.510
   22    HB2  PRO   3           2HB      PRO   3   6.834 -16.621  -4.469
   23    HB3  PRO   3           1HB      PRO   3   8.425 -16.147  -5.063
   24    HG2  PRO   3           2HG      PRO   3   7.399 -16.148  -2.187
   25    HG3  PRO   3           1HG      PRO   3   8.945 -16.739  -2.794
   26    HD2  PRO   3           1HD      PRO   3   8.691 -14.171  -1.702
   27    HD3  PRO   3           2HD      PRO   3   9.815 -14.469  -3.109
   28    H    ARG   4           H        ARG   4   5.678 -14.998  -2.377
   29    HA   ARG   4           HA       ARG   4   3.104 -14.398  -3.774
   30    HB2  ARG   4           2HB      ARG   4   2.054 -15.743  -2.129
   31    HB3  ARG   4           1HB      ARG   4   3.419 -16.676  -2.847
   32    HG2  ARG   4           2HG      ARG   4   3.704 -15.293  -0.209
   33    HG3  ARG   4           1HG      ARG   4   2.906 -16.892  -0.345
   34    HD2  ARG   4           2HD      ARG   4   5.154 -17.379  -1.732
   35    HD3  ARG   4           1HD      ARG   4   5.756 -16.132  -0.592
   36    HE   ARG   4           HE       ARG   4   4.516 -17.610   1.150
   37   HH11  ARG   4          2HH2      ARG   4   6.363 -18.982  -1.570
   38   HH12  ARG   4          1HH2      ARG   4   6.552 -20.550  -0.741
   39   HH21  ARG   4          2HH1      ARG   4   4.835 -19.601   2.154
   40   HH22  ARG   4          1HH1      ARG   4   5.720 -20.887   1.291
   41    H    SER   5           H        SER   5   4.539 -12.173  -3.228
   42    HA   SER   5           HA       SER   5   2.702 -10.701  -1.550
   43    HB2  SER   5           2HB      SER   5   5.560 -10.801  -0.507
   44    HB3  SER   5           1HB      SER   5   4.228  -9.873   0.134
   45    HG   SER   5           HG       SER   5   4.306 -11.614   1.427
   46    H    TYR   6           H        TYR   6   2.687  -8.639  -2.003
   47    HA   TYR   6           HA       TYR   6   4.873  -7.368  -3.608
   48    HB2  TYR   6           1HB      TYR   6   2.069  -7.683  -4.502
   49    HB3  TYR   6           2HB      TYR   6   3.060  -6.540  -5.118
   50    HD1  TYR   6           1HD      TYR   6   2.400 -10.142  -5.028
   51    HD2  TYR   6           2HD      TYR   6   4.730  -6.954  -6.664
   52    HE1  TYR   6           1HE      TYR   6   3.308 -11.689  -6.735
   53    HE2  TYR   6           2HE      TYR   6   5.475  -8.424  -8.514
   54    HH   TYR   6           HH       TYR   6   5.512 -11.737  -8.496
   55    H    THR   7           H        THR   7   4.329  -5.025  -4.092
   56    HA   THR   7           HA       THR   7   3.587  -3.700  -1.553
   57    HB   THR   7           HB       THR   7   5.181  -2.595  -3.959
   58    HG1  THR   7           1HG      THR   7   6.215  -3.916  -1.619
   59   HG21  THR   7          3HG2      THR   7   5.204  -1.849  -1.033
   60   HG22  THR   7          1HG2      THR   7   6.172  -1.123  -2.338
   61   HG23  THR   7          2HG2      THR   7   4.402  -0.933  -2.332
   62    H    CYS   8           H        CYS   8   2.319  -1.634  -1.678
   63    HA   CYS   8           HA       CYS   8   0.376  -1.766  -3.860
   64    HB2  CYS   8           2HB      CYS   8   0.022  -1.623  -1.139
   65    HB3  CYS   8           1HB      CYS   8  -0.214   0.057  -1.657
   66    H    SER   9           H        SER   9   3.186  -0.111  -2.912
   67    HA   SER   9           HA       SER   9   4.345   1.780  -3.474
   68    HB2  SER   9           2HB      SER   9   4.091   3.057  -5.176
   69    HB3  SER   9           1HB      SER   9   3.449   1.471  -5.708
   70    HG   SER   9           HG       SER   9   1.550   2.352  -6.088
   71    H    PHE  10           H        PHE  10   0.899   2.714  -3.331
   72    HA   PHE  10           HA       PHE  10   1.217   5.064  -1.957
   73    HB2  PHE  10           1HB      PHE  10  -0.763   3.401  -2.943
   74    HB3  PHE  10           2HB      PHE  10  -1.208   3.656  -1.392
   75    HD1  PHE  10           2HD      PHE  10  -0.772   5.119  -4.627
   76    HD2  PHE  10           1HD      PHE  10  -2.239   5.689  -0.637
   77    HE1  PHE  10           2HE      PHE  10  -2.186   6.993  -5.420
   78    HE2  PHE  10           1HE      PHE  10  -3.643   7.582  -1.420
   79    HZ   PHE  10           HZ       PHE  10  -3.629   8.223  -3.817
   80    H    CYS  11           H        CYS  11   0.864   1.742  -0.420
   81    HA   CYS  11           HA       CYS  11   1.262   3.185   2.115
   82    HB2  CYS  11           2HB      CYS  11   0.380   1.206   3.232
   83    HB3  CYS  11           1HB      CYS  11  -0.794   1.887   2.088
   84    H    LYS  12           H        LYS  12   3.331   2.262  -0.125
   85    HA   LYS  12           HA       LYS  12   4.756   0.355  -0.550
   86    HB2  LYS  12           2HB      LYS  12   6.784   1.225   0.373
   87    HB3  LYS  12           1HB      LYS  12   5.702   2.641   0.168
   88    HG2  LYS  12           2HG      LYS  12   5.164   2.407   2.675
   89    HG3  LYS  12           1HG      LYS  12   6.479   1.260   2.776
   90    HD2  LYS  12           2HD      LYS  12   7.712   3.350   1.472
   91    HD3  LYS  12           1HD      LYS  12   6.563   4.192   2.507
   92    HE2  LYS  12           2HE      LYS  12   8.342   3.968   3.966
   93    HE3  LYS  12           1HE      LYS  12   7.471   2.479   4.347
   94    HZ1  LYS  12           3HZ      LYS  12   9.704   2.730   2.442
   95    HZ2  LYS  12           1HZ      LYS  12   9.782   2.084   3.993
   96    HZ3  LYS  12           2HZ      LYS  12   8.875   1.313   2.806
   97    H    ARG  13           H        ARG  13   2.764  -0.709   1.339
   98    HA   ARG  13           HA       ARG  13   4.440  -2.467   2.983
   99    HB2  ARG  13           2HB      ARG  13   2.073  -1.088   3.462
  100    HB3  ARG  13           1HB      ARG  13   1.494  -2.721   3.099
  101    HG2  ARG  13           2HG      ARG  13   3.645  -3.253   4.712
  102    HG3  ARG  13           1HG      ARG  13   3.032  -1.716   5.400
  103    HD2  ARG  13           2HD      ARG  13   1.277  -4.117   4.899
  104    HD3  ARG  13           1HD      ARG  13   2.169  -3.848   6.436
  105    HE   ARG  13           HE       ARG  13  -0.312  -2.755   5.653
  106   HH11  ARG  13          2HH2      ARG  13   2.592  -1.602   7.363
  107   HH12  ARG  13          1HH2      ARG  13   1.621  -0.580   8.456
  108   HH21  ARG  13          2HH1      ARG  13  -1.462  -1.421   7.050
  109   HH22  ARG  13          1HH1      ARG  13  -0.582  -0.479   8.284
  110    H    GLU  14           H        GLU  14   4.547  -4.559   2.848
  111    HA   GLU  14           HA       GLU  14   3.828  -5.968   0.371
  112    HB2  GLU  14           2HB      GLU  14   5.780  -6.273   2.490
  113    HB3  GLU  14           1HB      GLU  14   4.931  -7.763   2.190
  114    HG2  GLU  14           2HG      GLU  14   6.743  -7.778   0.779
  115    HG3  GLU  14           1HG      GLU  14   5.342  -7.366  -0.272
  116    H    PHE  15           H        PHE  15   2.083  -6.837  -0.042
  117    HA   PHE  15           HA       PHE  15   0.350  -8.068   2.025
  118    HB2  PHE  15           1HB      PHE  15  -0.067  -6.767  -0.557
  119    HB3  PHE  15           2HB      PHE  15  -1.089  -7.984  -0.180
  120    HD1  PHE  15           2HD      PHE  15   0.188  -4.787   1.157
  121    HD2  PHE  15           1HD      PHE  15  -3.044  -7.608   0.912
  122    HE1  PHE  15           2HE      PHE  15  -1.217  -3.319   2.578
  123    HE2  PHE  15           1HE      PHE  15  -4.416  -6.177   2.392
  124    HZ   PHE  15           HZ       PHE  15  -3.390  -4.168   3.442
  125    H    ARG  16           H        ARG  16  -0.693 -10.078   1.503
  126    HA   ARG  16           HA       ARG  16   0.981 -11.884  -0.176
  127    HB2  ARG  16           2HB      ARG  16  -0.561 -12.406   2.435
  128    HB3  ARG  16           1HB      ARG  16   0.217 -13.659   1.493
  129    HG2  ARG  16           2HG      ARG  16   2.403 -12.460   1.790
  130    HG3  ARG  16           1HG      ARG  16   1.578 -11.320   2.856
  131    HD2  ARG  16           2HD      ARG  16   0.871 -13.177   4.298
  132    HD3  ARG  16           1HD      ARG  16   1.743 -14.319   3.224
  133    HE   ARG  16           HE       ARG  16   2.895 -12.350   5.074
  134   HH11  ARG  16          2HH2      ARG  16   3.621 -14.666   2.469
  135   HH12  ARG  16          1HH2      ARG  16   5.362 -14.678   2.861
  136   HH21  ARG  16          2HH1      ARG  16   5.105 -12.357   5.478
  137   HH22  ARG  16          1HH1      ARG  16   6.176 -13.408   4.514
  138    H    SER  17           H        SER  17  -0.859 -10.588  -1.609
  139    HA   SER  17           HA       SER  17  -2.495 -12.644  -2.800
  140    HB2  SER  17           2HB      SER  17  -4.713 -11.664  -2.301
  141    HB3  SER  17           1HB      SER  17  -3.982 -12.520  -0.944
  142    HG   SER  17           HG       SER  17  -4.205 -10.760   0.161
  143    H    ALA  18           H        ALA  18  -2.988 -12.165  -4.788
  144    HA   ALA  18           HA       ALA  18  -2.271  -9.729  -6.097
  145    HB1  ALA  18           1HB      ALA  18  -3.351 -10.695  -8.001
  146    HB2  ALA  18           2HB      ALA  18  -2.304 -11.877  -7.179
  147    HB3  ALA  18           3HB      ALA  18  -4.070 -11.964  -6.981
  148    H    GLN  19           H        GLN  19  -5.608 -10.988  -5.476
  149    HA   GLN  19           HA       GLN  19  -6.870  -8.535  -6.293
  150    HB2  GLN  19           2HB      GLN  19  -7.647 -11.206  -5.587
  151    HB3  GLN  19           1HB      GLN  19  -8.587 -10.046  -4.618
  152    HG2  GLN  19           2HG      GLN  19  -8.517  -8.895  -7.191
  153    HG3  GLN  19           1HG      GLN  19  -8.751 -10.619  -7.501
  154   HE21  GLN  19          2HE2      GLN  19 -10.573 -11.715  -6.555
  155   HE22  GLN  19          1HE2      GLN  19 -12.016 -10.782  -6.075
  156    H    ALA  20           H        ALA  20  -6.431  -9.760  -2.890
  157    HA   ALA  20           HA       ALA  20  -7.461  -7.347  -1.820
  158    HB1  ALA  20           1HB      ALA  20  -6.614  -8.165   0.294
  159    HB2  ALA  20           2HB      ALA  20  -7.578  -9.361  -0.605
  160    HB3  ALA  20           3HB      ALA  20  -5.804  -9.499  -0.562
  161    H    LEU  21           H        LEU  21  -4.403  -7.752  -3.396
  162    HA   LEU  21           HA       LEU  21  -3.394  -5.253  -2.262
  163    HB2  LEU  21           2HB      LEU  21  -2.241  -7.532  -3.430
  164    HB3  LEU  21           1HB      LEU  21  -2.201  -6.397  -4.742
  165    HG   LEU  21           HG       LEU  21  -1.204  -5.559  -2.024
  166   HD11  LEU  21          1HD1      LEU  21   0.970  -6.447  -2.810
  167   HD12  LEU  21          2HD1      LEU  21  -0.220  -7.764  -2.679
  168   HD13  LEU  21          3HD1      LEU  21   0.188  -7.088  -4.274
  169   HD21  LEU  21          3HD2      LEU  21  -1.484  -3.830  -3.749
  170   HD22  LEU  21          1HD2      LEU  21   0.225  -4.135  -3.355
  171   HD23  LEU  21          2HD2      LEU  21  -0.472  -4.788  -4.857
  172    H    GLY  22           H        GLY  22  -4.424  -6.369  -5.639
  173    HA2  GLY  22           2HA      GLY  22  -4.518  -3.864  -6.883
  174    HA3  GLY  22           1HA      GLY  22  -5.543  -5.213  -7.297
  175    H    GLY  23           H        GLY  23  -7.228  -5.535  -5.136
  176    HA2  GLY  23           2HA      GLY  23  -9.111  -3.389  -5.211
  177    HA3  GLY  23           1HA      GLY  23  -9.087  -4.724  -4.087
  178    H    HIS  24           H        HIS  24  -6.482  -4.195  -2.788
  179    HA   HIS  24           HA       HIS  24  -7.417  -2.314  -0.913
  180    HB2  HIS  24           2HB      HIS  24  -6.134  -4.014  -0.092
  181    HB3  HIS  24           1HB      HIS  24  -4.842  -3.763  -1.308
  182    HD1  HIS  24           1HD      HIS  24  -5.378  -3.368   2.063
  183    HD2  HIS  24           2HD      HIS  24  -3.801  -0.866  -0.868
  184    HE1  HIS  24           1HE      HIS  24  -3.925  -1.580   3.324
  185    H    MET  25           H        MET  25  -4.955  -2.148  -3.536
  186    HA   MET  25           HA       MET  25  -4.091   0.487  -3.421
  187    HB2  MET  25           2HB      MET  25  -3.770  -1.708  -5.020
  188    HB3  MET  25           1HB      MET  25  -4.738  -0.633  -6.082
  189    HG2  MET  25           2HG      MET  25  -2.117   0.089  -4.768
  190    HG3  MET  25           1HG      MET  25  -2.326  -0.456  -6.468
  191    HE1  MET  25           3HE      MET  25  -1.222   1.393  -7.679
  192    HE2  MET  25           1HE      MET  25  -1.333   3.115  -7.244
  193    HE3  MET  25           2HE      MET  25  -0.630   1.950  -6.096
  194    H    ASN  26           H        ASN  26  -6.963  -0.786  -5.215
  195    HA   ASN  26           HA       ASN  26  -7.932   1.731  -6.045
  196    HB2  ASN  26           2HB      ASN  26  -8.554  -0.702  -6.855
  197    HB3  ASN  26           1HB      ASN  26  -9.656  -0.746  -5.499
  198   HD21  ASN  26          2HD2      ASN  26 -11.550  -0.767  -6.535
  199   HD22  ASN  26          1HD2      ASN  26 -12.119   0.553  -7.592
  200    H    VAL  27           H        VAL  27  -8.608   0.026  -2.944
  201    HA   VAL  27           HA       VAL  27 -10.503   1.897  -2.039
  202    HB   VAL  27           HB       VAL  27  -9.969  -0.417  -1.248
  203   HG11  VAL  27          1HG1      VAL  27  -8.911  -0.526   0.951
  204   HG12  VAL  27          2HG1      VAL  27  -7.728  -0.104  -0.310
  205   HG13  VAL  27          3HG1      VAL  27  -8.354   1.156   0.780
  206   HG21  VAL  27          3HG2      VAL  27 -11.878   0.855  -0.688
  207   HG22  VAL  27          1HG2      VAL  27 -11.220   0.077   0.771
  208   HG23  VAL  27          2HG2      VAL  27 -10.955   1.815   0.493
  209    H    HIS  28           H        HIS  28  -7.043   2.410  -2.401
  210    HA   HIS  28           HA       HIS  28  -6.591   4.348  -0.527
  211    HB2  HIS  28           2HB      HIS  28  -5.495   4.002  -3.284
  212    HB3  HIS  28           1HB      HIS  28  -4.906   5.218  -2.107
  213    HD1  HIS  28           1HD      HIS  28  -5.292   3.213   0.308
  214    HD2  HIS  28           2HD      HIS  28  -3.096   2.548  -3.165
  215    HE1  HIS  28           1HE      HIS  28  -3.500   1.387   0.908
  216    H    ARG  29           H        ARG  29  -6.065   6.724  -1.293
  217    HA   ARG  29           HA       ARG  29  -7.539   8.194  -3.228
  218    HB2  ARG  29           2HB      ARG  29  -9.073   9.427  -1.670
  219    HB3  ARG  29           1HB      ARG  29  -9.595   7.785  -1.985
  220    HG2  ARG  29           2HG      ARG  29  -8.585   7.050   0.123
  221    HG3  ARG  29           1HG      ARG  29  -8.094   8.746   0.447
  222    HD2  ARG  29           2HD      ARG  29 -10.455   9.405   0.571
  223    HD3  ARG  29           1HD      ARG  29 -10.957   7.754   0.209
  224    HE   ARG  29           HE       ARG  29  -9.067   7.489   2.200
  225   HH11  ARG  29          2HH2      ARG  29 -12.340   8.849   2.082
  226   HH12  ARG  29          1HH2      ARG  29 -12.532   8.732   3.852
  227   HH21  ARG  29          2HH1      ARG  29  -9.346   7.353   4.400
  228   HH22  ARG  29          1HH1      ARG  29 -10.878   7.901   5.133
  229    H    ARG  30           H        ARG  30  -6.330  10.012  -3.481
  230    HA   ARG  30           HA       ARG  30  -4.359  10.986  -1.693
  231    HB2  ARG  30           2HB      ARG  30  -5.887  12.151  -3.993
  232    HB3  ARG  30           1HB      ARG  30  -5.183  13.281  -2.873
  233    HG2  ARG  30           2HG      ARG  30  -3.123  11.640  -3.152
  234    HG3  ARG  30           1HG      ARG  30  -3.960  11.430  -4.748
  235    HD2  ARG  30           2HD      ARG  30  -4.202  14.077  -4.658
  236    HD3  ARG  30           1HD      ARG  30  -2.906  14.026  -3.470
  237    HE   ARG  30           HE       ARG  30  -2.045  12.538  -5.651
  238   HH11  ARG  30          2HH2      ARG  30  -2.550  15.899  -4.671
  239   HH12  ARG  30          1HH2      ARG  30  -1.602  16.544  -6.038
  240   HH21  ARG  30          2HH1      ARG  30  -0.826  13.397  -7.375
  241   HH22  ARG  30          1HH1      ARG  30  -0.651  15.166  -7.523
  242    H    ASP  31           H        ASP  31  -4.370  12.082   0.118
  243    HA   ASP  31           HA       ASP  31  -6.598  13.703   0.973
  244    HB2  ASP  31           2HB      ASP  31  -7.154  11.193   1.649
  245    HB3  ASP  31           1HB      ASP  31  -5.843  11.312   2.773
  246    H    ARG  32           H        ARG  32  -5.793  15.304   2.236
  247    HA   ARG  32           HA       ARG  32  -4.211  16.824   2.953
  248    HB2  ARG  32           2HB      ARG  32  -3.141  16.289   4.975
  249    HB3  ARG  32           1HB      ARG  32  -4.702  15.399   4.994
  250    HG2  ARG  32           2HG      ARG  32  -3.499  13.297   4.483
  251    HG3  ARG  32           1HG      ARG  32  -1.972  14.158   4.423
  252    HD2  ARG  32           2HD      ARG  32  -1.741  13.998   6.621
  253    HD3  ARG  32           1HD      ARG  32  -3.316  14.781   6.896
  254    HE   ARG  32           HE       ARG  32  -2.728  11.930   6.854
  255   HH11  ARG  32          2HH2      ARG  32  -5.372  14.293   6.594
  256   HH12  ARG  32          1HH2      ARG  32  -6.601  13.082   7.046
  257   HH21  ARG  32          2HH1      ARG  32  -4.329  10.450   7.441
  258   HH22  ARG  32          1HH1      ARG  32  -6.031  10.982   7.509
  259    H    ALA  33           H        ALA  33  -1.584  16.739   3.764
  260    HA   ALA  33           HA       ALA  33  -0.093  16.626   1.325
  261    HB1  ALA  33           1HB      ALA  33   1.804  17.057   2.743
  262    HB2  ALA  33           2HB      ALA  33   0.437  18.142   3.093
  263    HB3  ALA  33           3HB      ALA  33   0.800  16.786   4.187
  264    H    ARG  34           H        ARG  34   0.951  14.749   4.193
  265    HA   ARG  34           HA       ARG  34   0.399  12.092   3.213
  266    HB2  ARG  34           2HB      ARG  34   2.313  12.644   1.675
  267    HB3  ARG  34           1HB      ARG  34   3.312  12.993   3.082
  268    HG2  ARG  34           2HG      ARG  34   3.674  10.739   3.475
  269    HG3  ARG  34           1HG      ARG  34   2.002  10.334   3.295
  270    HD2  ARG  34           2HD      ARG  34   2.987   9.182   1.550
  271    HD3  ARG  34           1HD      ARG  34   2.454  10.615   0.714
  272    HE   ARG  34           HE       ARG  34   5.006  11.184   1.585
  273   HH11  ARG  34          2HH2      ARG  34   3.412   8.874  -0.582
  274   HH12  ARG  34          1HH2      ARG  34   4.872   8.653  -1.583
  275   HH21  ARG  34          2HH1      ARG  34   6.875  10.839   0.282
  276   HH22  ARG  34          1HH1      ARG  34   6.766   9.728  -1.110
  277    H    LEU  35           H        LEU  35  -0.601  12.026   5.177
  278    HA   LEU  35           HA       LEU  35  -0.829  11.737   7.500
  279    HB2  LEU  35           2HB      LEU  35   0.646  10.091   8.411
  280    HB3  LEU  35           1HB      LEU  35  -0.532   9.717   7.101
  281    HG   LEU  35           HG       LEU  35   1.627   9.997   5.582
  282   HD11  LEU  35          1HD1      LEU  35   3.629   9.151   6.612
  283   HD12  LEU  35          2HD1      LEU  35   3.139  10.718   7.299
  284   HD13  LEU  35          3HD1      LEU  35   2.852   9.217   8.212
  285   HD21  LEU  35          3HD2      LEU  35   0.224   7.971   5.799
  286   HD22  LEU  35          1HD2      LEU  35   1.956   7.565   5.780
  287   HD23  LEU  35          2HD2      LEU  35   1.057   7.559   7.316
  288    H    ARG  36           H        ARG  36   1.496  11.315   9.386
  289    HA   ARG  36           HA       ARG  36   2.622  12.608  10.933
  290    HB2  ARG  36           2HB      ARG  36   3.848  13.328   8.211
  291    HB3  ARG  36           1HB      ARG  36   4.517  13.965   9.679
  292    HG2  ARG  36           2HG      ARG  36   5.217  11.895  10.436
  293    HG3  ARG  36           1HG      ARG  36   4.087  11.011   9.385
  294    HD2  ARG  36           2HD      ARG  36   5.623  11.005   7.664
  295    HD3  ARG  36           1HD      ARG  36   5.841  12.737   7.774
  296    HE   ARG  36           HE       ARG  36   7.497  10.682   8.867
  297   HH11  ARG  36          2HH2      ARG  36   6.693  14.135   9.088
  298   HH12  ARG  36          1HH2      ARG  36   8.252  14.537   9.855
  299   HH21  ARG  36          2HH1      ARG  36   9.478  11.255   9.821
  300   HH22  ARG  36          1HH1      ARG  36   9.778  12.959  10.255
  301    H    LEU  37           H        LEU  37   1.310  13.787  12.095
  302    HA   LEU  37           HA       LEU  37   0.010  15.475  12.828
  303    HB2  LEU  37           2HB      LEU  37   2.085  17.063  11.501
  304    HB3  LEU  37           1HB      LEU  37   0.608  17.824  12.174
  305    HG   LEU  37           HG       LEU  37   1.278  16.341  14.287
  306   HD11  LEU  37          1HD1      LEU  37   3.669  16.252  14.641
  307   HD12  LEU  37          2HD1      LEU  37   3.151  15.216  13.290
  308   HD13  LEU  37          3HD1      LEU  37   3.945  16.775  12.962
  309   HD21  LEU  37          3HD2      LEU  37   1.000  18.804  14.218
  310   HD22  LEU  37          1HD2      LEU  37   2.442  18.349  15.157
  311   HD23  LEU  37          2HD2      LEU  37   2.619  18.966  13.497
  312    HN1  NH2  38           3HN      NH2  38  -0.617  14.355   9.800
  313    HN2  NH2  38           2HN      NH2  38  -0.919  14.170  11.496
  Start of MODEL   10
    1    H1   ACE   0           2H1      ACE   0  14.547  -2.838  -4.945
    2    H2   ACE   0           3H1      ACE   0  15.418  -4.269  -5.546
    3    H3   ACE   0           1H1      ACE   0  14.063  -3.595  -6.481
    4    H    TRP   1           H        TRP   1  13.560  -3.396  -3.162
    5    HA   TRP   1           HA       TRP   1  12.148  -4.560  -1.713
    6    HB2  TRP   1           2HB      TRP   1  10.149  -5.352  -2.560
    7    HB3  TRP   1           1HB      TRP   1  10.639  -4.128  -3.774
    8    HD1  TRP   1           HD       TRP   1  11.413  -7.956  -3.478
    9    HE1  TRP   1           1HE      TRP   1  10.835  -9.077  -5.735
   10    HE3  TRP   1           3HE      TRP   1   9.832  -3.786  -5.918
   11    HZ2  TRP   1           2HZ      TRP   1  10.023  -8.232  -8.322
   12    HZ3  TRP   1           3HZ      TRP   1   9.169  -4.021  -8.311
   13    HH2  TRP   1           HH       TRP   1   9.247  -6.149  -9.509
   14    HA   PRO   2           HA       PRO   2  14.410  -8.335  -1.147
   15    HB2  PRO   2           2HB      PRO   2  13.355  -9.022   1.238
   16    HB3  PRO   2           1HB      PRO   2  14.455  -7.651   1.098
   17    HG2  PRO   2           2HG      PRO   2  11.398  -7.618   1.188
   18    HG3  PRO   2           1HG      PRO   2  12.521  -6.624   2.110
   19    HD2  PRO   2           1HD      PRO   2  11.399  -5.713  -0.289
   20    HD3  PRO   2           2HD      PRO   2  13.111  -5.274   0.156
   21    HA   PRO   3           HA       PRO   3  11.777 -11.573  -2.615
   22    HB2  PRO   3           2HB      PRO   3  12.985 -13.808  -1.559
   23    HB3  PRO   3           1HB      PRO   3  13.640 -12.921  -2.935
   24    HG2  PRO   3           2HG      PRO   3  14.399 -12.660   0.017
   25    HG3  PRO   3           1HG      PRO   3  15.473 -12.812  -1.370
   26    HD2  PRO   3           1HD      PRO   3  14.829 -10.296  -0.323
   27    HD3  PRO   3           2HD      PRO   3  14.974 -10.511  -2.135
   28    H    ARG   4           H        ARG   4  12.154 -10.932   0.757
   29    HA   ARG   4           HA       ARG   4   9.855 -12.619   1.523
   30    HB2  ARG   4           2HB      ARG   4  10.855 -12.336   3.881
   31    HB3  ARG   4           1HB      ARG   4  11.940 -13.180   2.819
   32    HG2  ARG   4           2HG      ARG   4  13.138 -11.072   2.382
   33    HG3  ARG   4           1HG      ARG   4  12.058 -10.272   3.568
   34    HD2  ARG   4           2HD      ARG   4  12.834 -11.838   5.270
   35    HD3  ARG   4           1HD      ARG   4  14.005 -12.503   4.060
   36    HE   ARG   4           HE       ARG   4  13.992  -9.590   4.392
   37   HH11  ARG   4          2HH2      ARG   4  15.750 -12.550   5.260
   38   HH12  ARG   4          1HH2      ARG   4  17.167 -11.633   5.837
   39   HH21  ARG   4          2HH1      ARG   4  15.824  -8.483   5.087
   40   HH22  ARG   4          1HH1      ARG   4  17.208  -9.399   5.740
   41    H    SER   5           H        SER   5   8.028 -11.559   1.659
   42    HA   SER   5           HA       SER   5   6.449  -9.995   1.970
   43    HB2  SER   5           2HB      SER   5   8.528  -8.708   3.778
   44    HB3  SER   5           1HB      SER   5   6.870  -8.145   3.629
   45    HG   SER   5           HG       SER   5   7.567  -9.796   5.349
   46    H    TYR   6           H        TYR   6   5.611  -8.025   1.350
   47    HA   TYR   6           HA       TYR   6   7.445  -6.289  -0.346
   48    HB2  TYR   6           1HB      TYR   6   4.661  -7.134  -0.837
   49    HB3  TYR   6           2HB      TYR   6   5.330  -5.848  -1.589
   50    HD1  TYR   6           1HD      TYR   6   7.600  -6.191  -2.817
   51    HD2  TYR   6           2HD      TYR   6   4.899  -9.343  -1.713
   52    HE1  TYR   6           1HE      TYR   6   8.385  -7.528  -4.718
   53    HE2  TYR   6           2HE      TYR   6   5.889 -10.796  -3.458
   54    HH   TYR   6           HH       TYR   6   8.349  -9.462  -5.717
   55    H    THR   7           H        THR   7   7.645  -4.306  -0.136
   56    HA   THR   7           HA       THR   7   6.485  -2.824   2.070
   57    HB   THR   7           HB       THR   7   7.789  -0.933   1.023
   58    HG1  THR   7           1HG      THR   7   9.285  -1.561  -0.630
   59   HG21  THR   7          3HG2      THR   7   9.335  -3.486   1.549
   60   HG22  THR   7          1HG2      THR   7   9.971  -1.824   1.595
   61   HG23  THR   7          2HG2      THR   7   8.761  -2.347   2.790
   62    H    CYS   8           H        CYS   8   5.273  -0.787   1.786
   63    HA   CYS   8           HA       CYS   8   3.345  -1.062  -0.398
   64    HB2  CYS   8           2HB      CYS   8   2.961  -0.792   2.305
   65    HB3  CYS   8           1HB      CYS   8   2.720   0.862   1.710
   66    H    SER   9           H        SER   9   6.205   0.500   0.139
   67    HA   SER   9           HA       SER   9   7.332   2.429  -0.384
   68    HB2  SER   9           2HB      SER   9   6.976   3.712  -2.058
   69    HB3  SER   9           1HB      SER   9   6.322   2.116  -2.548
   70    HG   SER   9           HG       SER   9   4.305   2.919  -2.639
   71    H    PHE  10           H        PHE  10   3.907   3.429  -0.037
   72    HA   PHE  10           HA       PHE  10   4.320   5.810   1.218
   73    HB2  PHE  10           1HB      PHE  10   2.255   4.191   0.456
   74    HB3  PHE  10           2HB      PHE  10   1.985   4.331   2.061
   75    HD1  PHE  10           1HD      PHE  10   2.478   6.256  -0.979
   76    HD2  PHE  10           2HD      PHE  10   0.719   6.119   2.935
   77    HE1  PHE  10           1HE      PHE  10   1.128   8.263  -1.518
   78    HE2  PHE  10           2HE      PHE  10  -0.700   8.073   2.359
   79    HZ   PHE  10           HZ       PHE  10  -0.361   9.242   0.203
   80    H    CYS  11           H        CYS  11   3.913   2.594   2.962
   81    HA   CYS  11           HA       CYS  11   4.812   4.085   5.336
   82    HB2  CYS  11           2HB      CYS  11   3.824   2.097   6.583
   83    HB3  CYS  11           1HB      CYS  11   2.695   3.263   5.864
   84    H    LYS  12           H        LYS  12   6.509   2.799   3.017
   85    HA   LYS  12           HA       LYS  12   7.451   0.546   2.529
   86    HB2  LYS  12           2HB      LYS  12   9.693   0.881   3.343
   87    HB3  LYS  12           1HB      LYS  12   9.001   2.438   2.751
   88    HG2  LYS  12           2HG      LYS  12   9.095   1.787   5.673
   89    HG3  LYS  12           1HG      LYS  12  10.528   2.430   4.809
   90    HD2  LYS  12           2HD      LYS  12   9.080   4.400   4.097
   91    HD3  LYS  12           1HD      LYS  12   7.827   3.800   5.176
   92    HE2  LYS  12           2HE      LYS  12   9.452   3.956   7.095
   93    HE3  LYS  12           1HE      LYS  12  10.643   4.641   6.000
   94    HZ1  LYS  12           3HZ      LYS  12   7.996   5.769   6.585
   95    HZ2  LYS  12           1HZ      LYS  12   9.475   6.304   7.179
   96    HZ3  LYS  12           2HZ      LYS  12   9.135   6.424   5.536
   97    H    ARG  13           H        ARG  13   5.492   0.033   4.569
   98    HA   ARG  13           HA       ARG  13   6.609  -1.852   6.340
   99    HB2  ARG  13           2HB      ARG  13   4.039  -0.676   5.592
  100    HB3  ARG  13           1HB      ARG  13   3.894  -2.426   5.967
  101    HG2  ARG  13           2HG      ARG  13   5.428  -0.888   7.970
  102    HG3  ARG  13           1HG      ARG  13   3.743  -0.389   7.819
  103    HD2  ARG  13           2HD      ARG  13   3.298  -3.010   7.850
  104    HD3  ARG  13           1HD      ARG  13   4.880  -3.034   8.660
  105    HE   ARG  13           HE       ARG  13   2.397  -1.785   9.620
  106   HH11  ARG  13          2HH2      ARG  13   5.798  -2.525  10.326
  107   HH12  ARG  13          1HH2      ARG  13   5.626  -2.046  12.036
  108   HH21  ARG  13          2HH1      ARG  13   2.245  -1.172  11.785
  109   HH22  ARG  13          1HH1      ARG  13   3.681  -1.307  12.835
  110    H    GLU  14           H        GLU  14   7.281  -3.754   5.982
  111    HA   GLU  14           HA       GLU  14   6.942  -5.285   3.533
  112    HB2  GLU  14           2HB      GLU  14   8.289  -5.796   6.209
  113    HB3  GLU  14           1HB      GLU  14   8.288  -6.950   4.885
  114    HG2  GLU  14           2HG      GLU  14   9.900  -5.774   3.739
  115    HG3  GLU  14           1HG      GLU  14   9.135  -4.237   4.021
  116    H    PHE  15           H        PHE  15   4.971  -6.059   3.092
  117    HA   PHE  15           HA       PHE  15   3.587  -7.710   5.138
  118    HB2  PHE  15           1HB      PHE  15   2.800  -6.372   2.652
  119    HB3  PHE  15           2HB      PHE  15   1.909  -7.618   3.217
  120    HD1  PHE  15           1HD      PHE  15   3.405  -4.566   4.750
  121    HD2  PHE  15           2HD      PHE  15  -0.084  -6.965   4.042
  122    HE1  PHE  15           1HE      PHE  15   2.047  -2.999   6.097
  123    HE2  PHE  15           2HE      PHE  15  -1.443  -5.385   5.380
  124    HZ   PHE  15           HZ       PHE  15  -0.351  -3.444   6.482
  125    H    ARG  16           H        ARG  16   3.557  -9.782   5.139
  126    HA   ARG  16           HA       ARG  16   4.416 -11.447   2.936
  127    HB2  ARG  16           2HB      ARG  16   3.490 -11.783   5.800
  128    HB3  ARG  16           1HB      ARG  16   3.226 -13.153   4.747
  129    HG2  ARG  16           2HG      ARG  16   5.951 -11.816   4.993
  130    HG3  ARG  16           1HG      ARG  16   5.436 -13.140   6.011
  131    HD2  ARG  16           2HD      ARG  16   5.467 -13.273   2.988
  132    HD3  ARG  16           1HD      ARG  16   6.797 -13.804   4.046
  133    HE   ARG  16           HE       ARG  16   4.494 -15.011   5.022
  134   HH11  ARG  16          2HH2      ARG  16   5.975 -15.110   1.799
  135   HH12  ARG  16          1HH2      ARG  16   5.564 -16.832   1.578
  136   HH21  ARG  16          2HH1      ARG  16   3.938 -17.158   4.662
  137   HH22  ARG  16          1HH1      ARG  16   4.442 -17.953   3.147
  138    H    SER  17           H        SER  17   2.693  -9.921   1.761
  139    HA   SER  17           HA       SER  17   0.335 -11.539   1.058
  140    HB2  SER  17           2HB      SER  17   0.171  -8.869   2.473
  141    HB3  SER  17           1HB      SER  17  -1.125  -9.500   1.425
  142    HG   SER  17           HG       SER  17  -0.056 -11.276   3.380
  143    H    ALA  18           H        ALA  18  -0.690 -10.875  -0.785
  144    HA   ALA  18           HA       ALA  18   0.733  -8.869  -2.485
  145    HB1  ALA  18           1HB      ALA  18  -0.079 -10.107  -4.382
  146    HB2  ALA  18           2HB      ALA  18   0.950 -11.097  -3.319
  147    HB3  ALA  18           3HB      ALA  18  -0.817 -11.308  -3.296
  148    H    GLN  19           H        GLN  19  -2.581 -10.327  -2.629
  149    HA   GLN  19           HA       GLN  19  -3.804  -7.944  -3.464
  150    HB2  GLN  19           2HB      GLN  19  -4.487 -10.590  -3.409
  151    HB3  GLN  19           1HB      GLN  19  -5.428 -10.022  -2.023
  152    HG2  GLN  19           2HG      GLN  19  -6.527  -8.300  -3.459
  153    HG3  GLN  19           1HG      GLN  19  -5.556  -8.785  -4.828
  154   HE21  GLN  19          2HE2      GLN  19  -7.038  -9.520  -6.198
  155   HE22  GLN  19          1HE2      GLN  19  -8.148 -10.870  -5.843
  156    H    ALA  20           H        ALA  20  -3.854  -9.278  -0.088
  157    HA   ALA  20           HA       ALA  20  -5.209  -7.214   1.192
  158    HB1  ALA  20           1HB      ALA  20  -3.988  -7.845   3.154
  159    HB2  ALA  20           2HB      ALA  20  -4.528  -9.277   2.246
  160    HB3  ALA  20           3HB      ALA  20  -2.826  -8.764   2.169
  161    H    LEU  21           H        LEU  21  -1.744  -7.198   0.209
  162    HA   LEU  21           HA       LEU  21  -1.109  -4.626   1.395
  163    HB2  LEU  21           2HB      LEU  21   0.407  -6.525   1.056
  164    HB3  LEU  21           1HB      LEU  21   0.337  -6.159  -0.709
  165    HG   LEU  21           HG       LEU  21   2.405  -5.306   0.548
  166   HD11  LEU  21          1HD1      LEU  21   2.543  -3.269  -0.631
  167   HD12  LEU  21          2HD1      LEU  21   1.907  -4.586  -1.645
  168   HD13  LEU  21          3HD1      LEU  21   0.806  -3.339  -1.011
  169   HD21  LEU  21          3HD2      LEU  21   1.275  -4.519   2.586
  170   HD22  LEU  21          1HD2      LEU  21   2.179  -3.227   1.761
  171   HD23  LEU  21          2HD2      LEU  21   0.406  -3.303   1.620
  172    H    GLY  22           H        GLY  22  -1.836  -5.719  -2.040
  173    HA2  GLY  22           2HA      GLY  22  -1.778  -3.259  -3.343
  174    HA3  GLY  22           1HA      GLY  22  -2.863  -4.562  -3.753
  175    H    GLY  23           H        GLY  23  -4.702  -4.728  -1.722
  176    HA2  GLY  23           2HA      GLY  23  -6.419  -2.467  -1.920
  177    HA3  GLY  23           1HA      GLY  23  -6.514  -3.710  -0.708
  178    H    HIS  24           H        HIS  24  -3.938  -3.269   0.545
  179    HA   HIS  24           HA       HIS  24  -4.769  -1.326   2.404
  180    HB2  HIS  24           2HB      HIS  24  -3.651  -3.109   3.269
  181    HB3  HIS  24           1HB      HIS  24  -2.328  -3.001   2.066
  182    HD1  HIS  24           1HD      HIS  24  -3.037  -2.338   5.429
  183    HD2  HIS  24           2HD      HIS  24  -0.830  -0.395   2.481
  184    HE1  HIS  24           1HE      HIS  24  -1.382  -0.733   6.687
  185    H    MET  25           H        MET  25  -2.230  -1.350  -0.142
  186    HA   MET  25           HA       MET  25  -1.209   1.238  -0.003
  187    HB2  MET  25           2HB      MET  25  -0.821  -0.958  -1.487
  188    HB3  MET  25           1HB      MET  25  -1.807  -0.002  -2.640
  189    HG2  MET  25           2HG      MET  25   0.724   0.978  -1.319
  190    HG3  MET  25           1HG      MET  25   0.643   0.214  -2.944
  191    HE1  MET  25           3HE      MET  25   1.074   1.610  -4.801
  192    HE2  MET  25           1HE      MET  25   1.180   3.383  -4.684
  193    HE3  MET  25           2HE      MET  25   2.121   2.360  -3.573
  194    H    ASN  26           H        ASN  26  -4.108   0.128  -1.893
  195    HA   ASN  26           HA       ASN  26  -4.839   2.690  -2.849
  196    HB2  ASN  26           2HB      ASN  26  -5.734   0.289  -3.545
  197    HB3  ASN  26           1HB      ASN  26  -6.840   0.453  -2.219
  198   HD21  ASN  26          2HD2      ASN  26  -7.686   0.097  -4.762
  199   HD22  ASN  26          1HD2      ASN  26  -8.492   1.586  -5.324
  200    H    VAL  27           H        VAL  27  -5.836   1.059   0.217
  201    HA   VAL  27           HA       VAL  27  -7.578   3.055   1.105
  202    HB   VAL  27           HB       VAL  27  -7.230   0.700   1.881
  203   HG11  VAL  27          1HG1      VAL  27  -6.258   0.497   4.112
  204   HG12  VAL  27          2HG1      VAL  27  -5.008   0.853   2.897
  205   HG13  VAL  27          3HG1      VAL  27  -5.586   2.139   3.982
  206   HG21  VAL  27          3HG2      VAL  27  -9.066   2.101   2.394
  207   HG22  VAL  27          1HG2      VAL  27  -8.516   1.261   3.863
  208   HG23  VAL  27          2HG2      VAL  27  -8.118   2.978   3.618
  209    H    HIS  28           H        HIS  28  -4.070   3.348   0.880
  210    HA   HIS  28           HA       HIS  28  -3.536   5.209   2.780
  211    HB2  HIS  28           2HB      HIS  28  -2.475   4.874   0.011
  212    HB3  HIS  28           1HB      HIS  28  -1.848   6.092   1.165
  213    HD1  HIS  28           1HD      HIS  28  -2.154   4.210   3.640
  214    HD2  HIS  28           2HD      HIS  28  -0.188   3.286   0.087
  215    HE1  HIS  28           1HE      HIS  28  -0.412   2.336   4.228
  216    H    ARG  29           H        ARG  29  -5.649   5.642  -0.066
  217    HA   ARG  29           HA       ARG  29  -6.959   7.384  -0.755
  218    HB2  ARG  29           2HB      ARG  29  -6.556   7.963   2.184
  219    HB3  ARG  29           1HB      ARG  29  -7.562   9.022   1.138
  220    HG2  ARG  29           2HG      ARG  29  -8.167   6.077   1.280
  221    HG3  ARG  29           1HG      ARG  29  -8.684   7.134   2.592
  222    HD2  ARG  29           2HD      ARG  29  -9.501   8.627   0.499
  223    HD3  ARG  29           1HD      ARG  29  -9.605   7.000  -0.228
  224    HE   ARG  29           HE       ARG  29 -11.259   8.113   1.850
  225   HH11  ARG  29          2HH2      ARG  29 -10.287   5.069   0.338
  226   HH12  ARG  29          1HH2      ARG  29 -11.537   4.134   1.203
  227   HH21  ARG  29          2HH1      ARG  29 -12.850   6.903   2.914
  228   HH22  ARG  29          1HH1      ARG  29 -12.951   5.146   2.620
  229    H    ARG  30           H        ARG  30  -4.786   7.809  -1.984
  230    HA   ARG  30           HA       ARG  30  -4.465  10.596  -2.279
  231    HB2  ARG  30           2HB      ARG  30  -3.244  10.086  -0.042
  232    HB3  ARG  30           1HB      ARG  30  -2.038   9.230  -1.055
  233    HG2  ARG  30           2HG      ARG  30  -1.218  11.209  -1.967
  234    HG3  ARG  30           1HG      ARG  30  -2.727  12.090  -1.708
  235    HD2  ARG  30           2HD      ARG  30  -1.512  11.139   0.794
  236    HD3  ARG  30           1HD      ARG  30  -0.470  12.254  -0.132
  237    HE   ARG  30           HE       ARG  30  -2.961  13.399  -0.234
  238   HH11  ARG  30          2HH2      ARG  30  -1.492  12.084   2.681
  239   HH12  ARG  30          1HH2      ARG  30  -1.940  13.506   3.661
  240   HH21  ARG  30          2HH1      ARG  30  -3.626  15.120   1.055
  241   HH22  ARG  30          1HH1      ARG  30  -3.125  15.175   2.766
  242    H    ASP  31           H        ASP  31  -2.961  11.138  -3.920
  243    HA   ASP  31           HA       ASP  31  -1.704  10.936  -5.810
  244    HB2  ASP  31           2HB      ASP  31  -1.522   7.982  -5.521
  245    HB3  ASP  31           1HB      ASP  31  -0.461   9.135  -6.403
  246    H    ARG  32           H        ARG  32  -2.172   8.283  -7.467
  247    HA   ARG  32           HA       ARG  32  -4.319   8.968  -9.094
  248    HB2  ARG  32           2HB      ARG  32  -3.960   6.512  -9.882
  249    HB3  ARG  32           1HB      ARG  32  -2.454   7.356  -9.739
  250    HG2  ARG  32           2HG      ARG  32  -2.483   6.295  -7.259
  251    HG3  ARG  32           1HG      ARG  32  -3.524   5.141  -8.037
  252    HD2  ARG  32           2HD      ARG  32  -0.786   5.908  -9.084
  253    HD3  ARG  32           1HD      ARG  32  -1.140   4.511  -8.072
  254    HE   ARG  32           HE       ARG  32  -2.876   4.157 -10.074
  255   HH11  ARG  32          2HH2      ARG  32   0.588   4.937 -10.178
  256   HH12  ARG  32          1HH2      ARG  32   0.839   4.026 -11.692
  257   HH21  ARG  32          2HH1      ARG  32  -2.514   3.055 -12.028
  258   HH22  ARG  32          1HH1      ARG  32  -0.865   2.994 -12.707
  259    H    ALA  33           H        ALA  33  -6.390   8.259  -9.332
  260    HA   ALA  33           HA       ALA  33  -8.584   7.821  -8.671
  261    HB1  ALA  33           1HB      ALA  33  -9.074   5.904  -7.417
  262    HB2  ALA  33           2HB      ALA  33  -7.910   5.564  -8.719
  263    HB3  ALA  33           3HB      ALA  33  -7.351   5.672  -7.033
  264    H    ARG  34           H        ARG  34  -9.448   9.517  -7.771
  265    HA   ARG  34           HA       ARG  34  -8.774  10.557  -5.191
  266    HB2  ARG  34           2HB      ARG  34  -9.808  11.919  -7.097
  267    HB3  ARG  34           1HB      ARG  34 -11.297  11.034  -6.894
  268    HG2  ARG  34           2HG      ARG  34 -10.420  12.126  -4.330
  269    HG3  ARG  34           1HG      ARG  34 -10.543  13.374  -5.558
  270    HD2  ARG  34           2HD      ARG  34 -12.757  11.352  -5.266
  271    HD3  ARG  34           1HD      ARG  34 -12.636  12.735  -4.157
  272    HE   ARG  34           HE       ARG  34 -12.375  13.951  -6.519
  273   HH11  ARG  34          2HH2      ARG  34 -14.822  11.531  -5.588
  274   HH12  ARG  34          1HH2      ARG  34 -16.063  12.288  -6.623
  275   HH21  ARG  34          2HH1      ARG  34 -13.982  14.845  -7.803
  276   HH22  ARG  34          1HH1      ARG  34 -15.602  14.100  -7.835
  277    H    LEU  35           H        LEU  35 -11.967   9.145  -5.965
  278    HA   LEU  35           HA       LEU  35 -13.500   8.145  -4.649
  279    HB2  LEU  35           2HB      LEU  35 -11.008   6.559  -4.215
  280    HB3  LEU  35           1HB      LEU  35 -12.515   6.101  -3.432
  281    HG   LEU  35           HG       LEU  35 -12.613   6.752  -6.358
  282   HD11  LEU  35          1HD1      LEU  35 -11.940   4.449  -6.904
  283   HD12  LEU  35          2HD1      LEU  35 -10.604   5.341  -6.137
  284   HD13  LEU  35          3HD1      LEU  35 -11.539   4.155  -5.195
  285   HD21  LEU  35          3HD2      LEU  35 -14.662   6.195  -5.082
  286   HD22  LEU  35          1HD2      LEU  35 -14.292   4.943  -6.292
  287   HD23  LEU  35          2HD2      LEU  35 -13.925   4.656  -4.574
  288    H    ARG  36           H        ARG  36 -13.672  10.278  -3.483
  289    HA   ARG  36           HA       ARG  36 -13.249   9.943  -0.596
  290    HB2  ARG  36           2HB      ARG  36 -11.539  11.553  -2.037
  291    HB3  ARG  36           1HB      ARG  36 -12.841  12.696  -1.795
  292    HG2  ARG  36           2HG      ARG  36 -12.730  12.089   0.686
  293    HG3  ARG  36           1HG      ARG  36 -11.197  11.278   0.290
  294    HD2  ARG  36           2HD      ARG  36 -10.529  13.495  -0.875
  295    HD3  ARG  36           1HD      ARG  36 -11.904  14.220  -0.022
  296    HE   ARG  36           HE       ARG  36 -10.164  12.682   1.694
  297   HH11  ARG  36          2HH2      ARG  36 -10.783  15.940   0.422
  298   HH12  ARG  36          1HH2      ARG  36  -9.651  16.696   1.575
  299   HH21  ARG  36          2HH1      ARG  36  -8.804  13.701   3.185
  300   HH22  ARG  36          1HH1      ARG  36  -8.568  15.467   3.093
  301    H    LEU  37           H        LEU  37 -14.655  11.409   0.645
  302    HA   LEU  37           HA       LEU  37 -17.324  11.442   0.075
  303    HB2  LEU  37           2HB      LEU  37 -15.481  12.627   2.024
  304    HB3  LEU  37           1HB      LEU  37 -16.784  13.744   1.695
  305    HG   LEU  37           HG       LEU  37 -17.582  10.911   2.113
  306   HD11  LEU  37          1HD1      LEU  37 -17.407  11.175   4.560
  307   HD12  LEU  37          2HD1      LEU  37 -15.800  11.219   3.797
  308   HD13  LEU  37          3HD1      LEU  37 -16.570  12.730   4.337
  309   HD21  LEU  37          3HD2      LEU  37 -19.217  12.729   1.712
  310   HD22  LEU  37          1HD2      LEU  37 -19.393  12.052   3.349
  311   HD23  LEU  37          2HD2      LEU  37 -18.574  13.615   3.115
  312    HN1  NH2  38           3HN      NH2  38 -15.754  11.750  -0.583
  313    HN2  NH2  38           2HN      NH2  38 -17.447  11.482  -0.332
  Start of MODEL   11
    1    H1   ACE   0           2H1      ACE   0   2.052  -8.300  -9.553
    2    H2   ACE   0           3H1      ACE   0   1.548  -9.914  -8.998
    3    H3   ACE   0           1H1      ACE   0   0.416  -8.543  -8.897
    4    H    TRP   1           H        TRP   1   1.409 -10.383  -6.837
    5    HA   TRP   1           HA       TRP   1   2.734  -8.363  -5.045
    6    HB2  TRP   1           2HB      TRP   1   0.427 -10.233  -4.584
    7    HB3  TRP   1           1HB      TRP   1   1.498  -9.736  -3.237
    8    HD1  TRP   1           HD       TRP   1  -1.728  -8.806  -4.410
    9    HE1  TRP   1           1HE      TRP   1  -2.331  -6.352  -3.867
   10    HE3  TRP   1           3HE      TRP   1   2.989  -7.132  -3.527
   11    HZ2  TRP   1           2HZ      TRP   1  -0.930  -3.938  -3.336
   12    HZ3  TRP   1           3HZ      TRP   1   3.286  -4.711  -3.003
   13    HH2  TRP   1           HH       TRP   1   1.422  -3.132  -2.904
   14    HA   PRO   2           HA       PRO   2   5.556 -11.983  -5.499
   15    HB2  PRO   2           2HB      PRO   2   7.778 -10.610  -5.641
   16    HB3  PRO   2           1HB      PRO   2   6.694 -10.979  -7.066
   17    HG2  PRO   2           2HG      PRO   2   7.018  -8.463  -5.437
   18    HG3  PRO   2           1HG      PRO   2   6.896  -8.651  -7.255
   19    HD2  PRO   2           1HD      PRO   2   4.607  -8.028  -5.607
   20    HD3  PRO   2           2HD      PRO   2   4.478  -9.007  -7.139
   21    HA   PRO   3           HA       PRO   3   6.652 -12.029  -1.164
   22    HB2  PRO   3           2HB      PRO   3   8.564 -13.941  -1.139
   23    HB3  PRO   3           1HB      PRO   3   6.877 -14.349  -1.442
   24    HG2  PRO   3           2HG      PRO   3   9.106 -13.899  -3.492
   25    HG3  PRO   3           1HG      PRO   3   7.972 -15.243  -3.406
   26    HD2  PRO   3           1HD      PRO   3   7.458 -13.011  -5.030
   27    HD3  PRO   3           2HD      PRO   3   6.085 -13.835  -4.148
   28    H    ARG   4           H        ARG   4   8.990 -12.275   0.083
   29    HA   ARG   4           HA       ARG   4  10.717 -10.962   0.941
   30    HB2  ARG   4           2HB      ARG   4  11.365 -10.484  -1.996
   31    HB3  ARG   4           1HB      ARG   4  12.344  -9.956  -0.657
   32    HG2  ARG   4           2HG      ARG   4  12.118 -12.583  -0.020
   33    HG3  ARG   4           1HG      ARG   4  11.983 -12.663  -1.780
   34    HD2  ARG   4           2HD      ARG   4  14.150 -10.823  -0.891
   35    HD3  ARG   4           1HD      ARG   4  14.405 -12.459  -0.371
   36    HE   ARG   4           HE       ARG   4  13.688 -12.531  -3.067
   37   HH11  ARG   4          2HH2      ARG   4  16.262 -11.007  -1.168
   38   HH12  ARG   4          1HH2      ARG   4  17.507 -11.357  -2.397
   39   HH21  ARG   4          2HH1      ARG   4  15.325 -12.921  -4.633
   40   HH22  ARG   4          1HH1      ARG   4  16.995 -12.398  -4.285
   41    H    SER   5           H        SER   5  11.578  -8.966   1.398
   42    HA   SER   5           HA       SER   5   9.669  -6.903   1.816
   43    HB2  SER   5           2HB      SER   5  12.704  -6.750   1.790
   44    HB3  SER   5           1HB      SER   5  11.593  -5.586   2.519
   45    HG   SER   5           HG       SER   5  12.376  -7.008   4.113
   46    H    TYR   6           H        TYR   6   9.016  -5.243   0.811
   47    HA   TYR   6           HA       TYR   6  10.585  -4.136  -1.539
   48    HB2  TYR   6           1HB      TYR   6   7.699  -4.719  -1.508
   49    HB3  TYR   6           2HB      TYR   6   8.409  -3.714  -2.582
   50    HD1  TYR   6           2HD      TYR   6  10.394  -4.624  -3.965
   51    HD2  TYR   6           1HD      TYR   6   7.473  -7.046  -1.949
   52    HE1  TYR   6           2HE      TYR   6  10.908  -6.486  -5.490
   53    HE2  TYR   6           1HE      TYR   6   7.881  -8.864  -3.554
   54    HH   TYR   6           HH       TYR   6  10.428  -8.535  -6.085
   55    H    THR   7           H        THR   7  10.258  -2.047  -2.157
   56    HA   THR   7           HA       THR   7   9.925  -0.161   0.060
   57    HB   THR   7           HB       THR   7  10.670   1.495  -1.650
   58    HG1  THR   7           1HG      THR   7  11.434   0.562  -3.675
   59   HG21  THR   7          3HG2      THR   7  12.421  -0.972  -1.511
   60   HG22  THR   7          1HG2      THR   7  12.931   0.681  -1.929
   61   HG23  THR   7          2HG2      THR   7  12.348   0.318  -0.288
   62    H    CYS   8           H        CYS   8   8.562   1.787  -0.231
   63    HA   CYS   8           HA       CYS   8   5.974   1.064  -1.378
   64    HB2  CYS   8           2HB      CYS   8   6.641   2.086   1.079
   65    HB3  CYS   8           1HB      CYS   8   6.112   3.527   0.188
   66    H    SER   9           H        SER   9   8.723   2.495  -2.531
   67    HA   SER   9           HA       SER   9   9.438   4.226  -3.876
   68    HB2  SER   9           2HB      SER   9   8.403   4.993  -5.555
   69    HB3  SER   9           1HB      SER   9   7.695   3.366  -5.302
   70    HG   SER   9           HG       SER   9   5.772   4.235  -5.104
   71    H    PHE  10           H        PHE  10   6.316   5.544  -2.587
   72    HA   PHE  10           HA       PHE  10   7.195   8.160  -2.104
   73    HB2  PHE  10           1HB      PHE  10   5.102   6.517  -0.946
   74    HB3  PHE  10           2HB      PHE  10   5.456   7.958  -0.264
   75    HD1  PHE  10           1HD      PHE  10   4.970  10.068  -1.280
   76    HD2  PHE  10           2HD      PHE  10   3.844   6.300  -2.998
   77    HE1  PHE  10           1HE      PHE  10   3.187  11.199  -2.577
   78    HE2  PHE  10           2HE      PHE  10   2.058   7.427  -4.296
   79    HZ   PHE  10           HZ       PHE  10   1.744   9.881  -4.106
   80    H    CYS  11           H        CYS  11   7.431   5.418   0.365
   81    HA   CYS  11           HA       CYS  11   9.052   7.388   1.836
   82    HB2  CYS  11           2HB      CYS  11   8.499   6.199   3.865
   83    HB3  CYS  11           1HB      CYS  11   7.019   6.714   3.032
   84    H    LYS  12           H        LYS  12   9.850   5.410  -0.475
   85    HA   LYS  12           HA       LYS  12  10.664   3.093  -0.662
   86    HB2  LYS  12           2HB      LYS  12  13.029   3.499  -0.778
   87    HB3  LYS  12           1HB      LYS  12  12.151   4.950  -1.384
   88    HG2  LYS  12           2HG      LYS  12  13.140   4.904   1.431
   89    HG3  LYS  12           1HG      LYS  12  14.298   5.168   0.089
   90    HD2  LYS  12           2HD      LYS  12  12.886   7.102  -0.667
   91    HD3  LYS  12           1HD      LYS  12  11.861   6.876   0.753
   92    HE2  LYS  12           2HE      LYS  12  13.798   7.303   2.247
   93    HE3  LYS  12           1HE      LYS  12  14.867   7.441   0.863
   94    HZ1  LYS  12           3HZ      LYS  12  12.573   9.177   1.441
   95    HZ2  LYS  12           1HZ      LYS  12  14.200   9.540   1.669
   96    HZ3  LYS  12           2HZ      LYS  12  13.599   9.310   0.115
   97    H    ARG  13           H        ARG  13   9.588   3.203   2.099
   98    HA   ARG  13           HA       ARG  13  11.449   1.676   3.613
   99    HB2  ARG  13           2HB      ARG  13   9.748   3.164   4.593
  100    HB3  ARG  13           1HB      ARG  13   8.453   2.136   3.896
  101    HG2  ARG  13           2HG      ARG  13   9.362   0.237   5.363
  102    HG3  ARG  13           1HG      ARG  13  10.364   1.428   6.166
  103    HD2  ARG  13           2HD      ARG  13   7.416   2.068   5.976
  104    HD3  ARG  13           1HD      ARG  13   7.891   0.821   7.076
  105    HE   ARG  13           HE       ARG  13   8.283   3.607   7.325
  106   HH11  ARG  13          2HH2      ARG  13   9.774   0.529   8.289
  107   HH12  ARG  13          1HH2      ARG  13  10.375   1.205   9.827
  108   HH21  ARG  13          2HH1      ARG  13   9.069   4.409   9.308
  109   HH22  ARG  13          1HH1      ARG  13   9.991   3.323  10.383
  110    H    GLU  14           H        GLU  14  11.792  -0.284   3.821
  111    HA   GLU  14           HA       GLU  14  10.712  -2.385   2.085
  112    HB2  GLU  14           2HB      GLU  14  12.094  -3.876   3.300
  113    HB3  GLU  14           1HB      GLU  14  12.909  -2.541   2.408
  114    HG2  GLU  14           2HG      GLU  14  12.501  -2.365   5.407
  115    HG3  GLU  14           1HG      GLU  14  13.853  -3.256   4.743
  116    H    PHE  15           H        PHE  15   8.726  -2.931   2.323
  117    HA   PHE  15           HA       PHE  15   7.710  -3.881   4.943
  118    HB2  PHE  15           1HB      PHE  15   6.523  -3.140   2.373
  119    HB3  PHE  15           2HB      PHE  15   5.726  -4.206   3.318
  120    HD1  PHE  15           2HD      PHE  15   7.015  -0.777   3.188
  121    HD2  PHE  15           1HD      PHE  15   4.444  -3.590   5.172
  122    HE1  PHE  15           2HE      PHE  15   6.061   1.050   4.567
  123    HE2  PHE  15           1HE      PHE  15   3.574  -1.778   6.620
  124    HZ   PHE  15           HZ       PHE  15   4.627   0.473   6.516
  125    H    ARG  16           H        ARG  16   7.589  -5.895   5.446
  126    HA   ARG  16           HA       ARG  16   8.369  -8.033   3.642
  127    HB2  ARG  16           2HB      ARG  16   8.218  -9.370   5.846
  128    HB3  ARG  16           1HB      ARG  16   9.187  -7.946   6.062
  129    HG2  ARG  16           2HG      ARG  16   7.861  -7.403   7.795
  130    HG3  ARG  16           1HG      ARG  16   6.540  -7.120   6.695
  131    HD2  ARG  16           2HD      ARG  16   5.547  -8.700   7.945
  132    HD3  ARG  16           1HD      ARG  16   6.389  -9.818   6.859
  133    HE   ARG  16           HE       ARG  16   7.813 -10.397   8.553
  134   HH11  ARG  16          2HH2      ARG  16   5.904  -7.613   9.665
  135   HH12  ARG  16          1HH2      ARG  16   6.555  -7.719  11.323
  136   HH21  ARG  16          2HH1      ARG  16   8.593 -10.492  10.694
  137   HH22  ARG  16          1HH1      ARG  16   8.022  -9.291  11.884
  138    H    SER  17           H        SER  17   5.840  -6.703   2.940
  139    HA   SER  17           HA       SER  17   3.868  -8.883   2.953
  140    HB2  SER  17           2HB      SER  17   2.201  -7.676   4.274
  141    HB3  SER  17           1HB      SER  17   3.547  -8.287   5.234
  142    HG   SER  17           HG       SER  17   3.307  -6.225   5.932
  143    H    ALA  18           H        ALA  18   2.692  -8.829   1.359
  144    HA   ALA  18           HA       ALA  18   2.754  -6.960  -0.689
  145    HB1  ALA  18           1HB      ALA  18   0.948  -8.368  -1.614
  146    HB2  ALA  18           2HB      ALA  18   2.296  -9.320  -0.946
  147    HB3  ALA  18           3HB      ALA  18   0.779  -9.160  -0.029
  148    H    GLN  19           H        GLN  19  -0.273  -7.718   1.145
  149    HA   GLN  19           HA       GLN  19  -1.663  -5.370   0.337
  150    HB2  GLN  19           2HB      GLN  19  -2.123  -7.318   2.633
  151    HB3  GLN  19           1HB      GLN  19  -3.237  -6.025   2.198
  152    HG2  GLN  19           2HG      GLN  19  -3.447  -6.991  -0.089
  153    HG3  GLN  19           1HG      GLN  19  -2.363  -8.308   0.385
  154   HE21  GLN  19          2HE2      GLN  19  -5.568  -6.939   0.645
  155   HE22  GLN  19          1HE2      GLN  19  -6.302  -8.296   1.542
  156    H    ALA  20           H        ALA  20   0.111  -5.885   3.446
  157    HA   ALA  20           HA       ALA  20  -0.486  -3.297   4.414
  158    HB1  ALA  20           1HB      ALA  20   1.290  -3.711   6.010
  159    HB2  ALA  20           2HB      ALA  20   0.127  -5.052   5.878
  160    HB3  ALA  20           3HB      ALA  20   1.731  -5.187   5.119
  161    H    LEU  21           H        LEU  21   1.800  -4.194   1.858
  162    HA   LEU  21           HA       LEU  21   3.041  -1.573   1.895
  163    HB2  LEU  21           2HB      LEU  21   3.835  -3.959   1.069
  164    HB3  LEU  21           1HB      LEU  21   3.017  -3.435  -0.437
  165    HG   LEU  21           HG       LEU  21   5.131  -1.679   0.876
  166   HD11  LEU  21          1HD1      LEU  21   6.720  -2.833  -0.615
  167   HD12  LEU  21          2HD1      LEU  21   6.011  -3.995   0.532
  168   HD13  LEU  21          3HD1      LEU  21   5.434  -3.941  -1.151
  169   HD21  LEU  21          3HD2      LEU  21   3.735  -0.668  -0.867
  170   HD22  LEU  21          1HD2      LEU  21   5.436  -0.855  -1.354
  171   HD23  LEU  21          2HD2      LEU  21   4.203  -1.976  -1.980
  172    H    GLY  22           H        GLY  22   0.740  -3.303  -0.429
  173    HA2  GLY  22           2HA      GLY  22   0.074  -1.123  -2.074
  174    HA3  GLY  22           1HA      GLY  22  -0.999  -2.437  -1.724
  175    H    GLY  23           H        GLY  23  -1.678  -2.166   0.922
  176    HA2  GLY  23           2HA      GLY  23  -3.526   0.003   1.027
  177    HA3  GLY  23           1HA      GLY  23  -3.022  -1.021   2.357
  178    H    HIS  24           H        HIS  24  -0.148  -0.373   2.383
  179    HA   HIS  24           HA       HIS  24  -0.355   1.992   3.926
  180    HB2  HIS  24           2HB      HIS  24   1.124   0.372   4.639
  181    HB3  HIS  24           1HB      HIS  24   1.938   0.289   3.045
  182    HD1  HIS  24           1HD      HIS  24   2.422   1.521   6.260
  183    HD2  HIS  24           2HD      HIS  24   3.130   3.046   2.452
  184    HE1  HIS  24           1HE      HIS  24   4.207   3.426   6.551
  185    H    MET  25           H        MET  25   1.040   1.270   0.657
  186    HA   MET  25           HA       MET  25   1.835   3.820  -0.174
  187    HB2  MET  25           2HB      MET  25   1.737   1.233  -1.243
  188    HB3  MET  25           1HB      MET  25   0.574   2.058  -2.220
  189    HG2  MET  25           2HG      MET  25   3.229   3.306  -1.721
  190    HG3  MET  25           1HG      MET  25   3.004   1.974  -2.905
  191    HE1  MET  25           3HE      MET  25   2.556   2.293  -5.200
  192    HE2  MET  25           1HE      MET  25   2.728   3.911  -5.920
  193    HE3  MET  25           2HE      MET  25   3.971   3.296  -4.804
  194    H    ASN  26           H        ASN  26  -1.431   2.301  -0.564
  195    HA   ASN  26           HA       ASN  26  -2.661   4.584  -1.669
  196    HB2  ASN  26           2HB      ASN  26  -3.464   2.057  -1.516
  197    HB3  ASN  26           1HB      ASN  26  -4.089   2.489   0.056
  198   HD21  ASN  26          2HD2      ASN  26  -6.175   2.018  -0.638
  199   HD22  ASN  26          1HD2      ASN  26  -7.069   3.150  -1.688
  200    H    VAL  27           H        VAL  27  -2.329   3.747   1.838
  201    HA   VAL  27           HA       VAL  27  -3.750   5.940   2.793
  202    HB   VAL  27           HB       VAL  27  -2.900   3.935   3.985
  203   HG11  VAL  27          1HG1      VAL  27  -1.115   4.381   5.591
  204   HG12  VAL  27          2HG1      VAL  27  -0.483   4.316   3.929
  205   HG13  VAL  27          3HG1      VAL  27  -0.705   5.887   4.736
  206   HG21  VAL  27          3HG2      VAL  27  -4.501   5.497   4.779
  207   HG22  VAL  27          1HG2      VAL  27  -3.338   5.113   6.070
  208   HG23  VAL  27          2HG2      VAL  27  -3.225   6.662   5.201
  209    H    HIS  28           H        HIS  28  -0.572   6.061   1.178
  210    HA   HIS  28           HA       HIS  28   0.480   8.350   2.182
  211    HB2  HIS  28           2HB      HIS  28   0.515   7.239  -0.588
  212    HB3  HIS  28           1HB      HIS  28   1.446   8.685  -0.087
  213    HD1  HIS  28           1HD      HIS  28   2.052   7.456   2.757
  214    HD2  HIS  28           2HD      HIS  28   2.827   5.695  -0.935
  215    HE1  HIS  28           1HE      HIS  28   3.999   5.741   3.155
  216    H    ARG  29           H        ARG  29  -2.259   8.018  -0.110
  217    HA   ARG  29           HA       ARG  29  -3.354  10.567   0.537
  218    HB2  ARG  29           2HB      ARG  29  -1.363  11.045  -1.069
  219    HB3  ARG  29           1HB      ARG  29  -2.391  10.277  -2.323
  220    HG2  ARG  29           2HG      ARG  29  -3.682  12.470  -0.781
  221    HG3  ARG  29           1HG      ARG  29  -2.350  12.962  -1.822
  222    HD2  ARG  29           2HD      ARG  29  -3.524  11.473  -3.609
  223    HD3  ARG  29           1HD      ARG  29  -4.947  11.658  -2.540
  224    HE   ARG  29           HE       ARG  29  -3.898  14.195  -2.769
  225   HH11  ARG  29          2HH2      ARG  29  -4.930  11.868  -5.239
  226   HH12  ARG  29          1HH2      ARG  29  -5.451  13.156  -6.359
  227   HH21  ARG  29          2HH1      ARG  29  -4.527  15.797  -4.248
  228   HH22  ARG  29          1HH1      ARG  29  -5.228  15.312  -5.815
  229    H    ARG  30           H        ARG  30  -5.416  10.096   0.496
  230    HA   ARG  30           HA       ARG  30  -7.464   9.310   0.048
  231    HB2  ARG  30           2HB      ARG  30  -6.413  10.234  -2.409
  232    HB3  ARG  30           1HB      ARG  30  -6.878   8.629  -2.843
  233    HG2  ARG  30           2HG      ARG  30  -9.094   8.979  -2.350
  234    HG3  ARG  30           1HG      ARG  30  -8.731  10.483  -1.427
  235    HD2  ARG  30           2HD      ARG  30  -7.502  10.903  -3.948
  236    HD3  ARG  30           1HD      ARG  30  -9.020  10.133  -4.380
  237    HE   ARG  30           HE       ARG  30 -10.003  12.084  -3.993
  238   HH11  ARG  30          2HH2      ARG  30  -7.060  12.233  -1.997
  239   HH12  ARG  30          1HH2      ARG  30  -7.511  13.824  -1.326
  240   HH21  ARG  30          2HH1      ARG  30 -10.485  14.104  -3.145
  241   HH22  ARG  30          1HH1      ARG  30  -9.381  14.848  -1.957
  242    H    ASP  31           H        ASP  31  -7.018   7.638   1.505
  243    HA   ASP  31           HA       ASP  31  -6.604   4.904   0.506
  244    HB2  ASP  31           2HB      ASP  31  -5.732   5.806   2.738
  245    HB3  ASP  31           1HB      ASP  31  -7.365   5.748   3.316
  246    H    ARG  32           H        ARG  32  -9.369   6.693   2.035
  247    HA   ARG  32           HA       ARG  32 -11.264   4.755   0.805
  248    HB2  ARG  32           2HB      ARG  32 -11.266   5.922   3.619
  249    HB3  ARG  32           1HB      ARG  32 -12.725   5.319   2.847
  250    HG2  ARG  32           2HG      ARG  32 -11.555   3.078   2.527
  251    HG3  ARG  32           1HG      ARG  32 -10.202   3.696   3.438
  252    HD2  ARG  32           2HD      ARG  32 -13.021   3.650   4.602
  253    HD3  ARG  32           1HD      ARG  32 -11.905   2.331   4.768
  254    HE   ARG  32           HE       ARG  32 -11.920   4.786   6.165
  255   HH11  ARG  32          2HH2      ARG  32  -9.622   2.319   5.025
  256   HH12  ARG  32          1HH2      ARG  32  -8.523   2.594   6.403
  257   HH21  ARG  32          2HH1      ARG  32 -10.474   5.096   7.879
  258   HH22  ARG  32          1HH1      ARG  32  -8.987   4.113   7.961
  259    H    ALA  33           H        ALA  33 -12.938   5.530  -0.172
  260    HA   ALA  33           HA       ALA  33 -13.452   8.487  -0.274
  261    HB1  ALA  33           1HB      ALA  33 -13.744   8.355  -2.649
  262    HB2  ALA  33           2HB      ALA  33 -12.080   7.942  -2.170
  263    HB3  ALA  33           3HB      ALA  33 -13.216   6.656  -2.642
  264    H    ARG  34           H        ARG  34 -14.756   5.392  -1.531
  265    HA   ARG  34           HA       ARG  34 -17.248   5.439  -0.147
  266    HB2  ARG  34           2HB      ARG  34 -17.741   7.345  -1.757
  267    HB3  ARG  34           1HB      ARG  34 -17.408   6.273  -3.096
  268    HG2  ARG  34           2HG      ARG  34 -19.308   5.013  -1.302
  269    HG3  ARG  34           1HG      ARG  34 -19.851   6.629  -1.760
  270    HD2  ARG  34           2HD      ARG  34 -19.887   6.124  -4.033
  271    HD3  ARG  34           1HD      ARG  34 -18.755   4.756  -3.849
  272    HE   ARG  34           HE       ARG  34 -20.481   3.422  -3.006
  273   HH11  ARG  34          2HH2      ARG  34 -21.775   6.669  -3.632
  274   HH12  ARG  34          1HH2      ARG  34 -23.464   6.095  -3.618
  275   HH21  ARG  34          2HH1      ARG  34 -22.638   2.749  -2.946
  276   HH22  ARG  34          1HH1      ARG  34 -23.940   3.934  -3.237
  277    H    LEU  35           H        LEU  35 -16.349   4.484  -3.491
  278    HA   LEU  35           HA       LEU  35 -16.143   2.453  -4.536
  279    HB2  LEU  35           2HB      LEU  35 -15.567   1.304  -1.783
  280    HB3  LEU  35           1HB      LEU  35 -15.314   0.502  -3.313
  281    HG   LEU  35           HG       LEU  35 -14.022   3.143  -3.197
  282   HD11  LEU  35          1HD1      LEU  35 -12.279   2.447  -1.633
  283   HD12  LEU  35          2HD1      LEU  35 -13.862   2.569  -0.828
  284   HD13  LEU  35          3HD1      LEU  35 -13.199   0.972  -1.251
  285   HD21  LEU  35          3HD2      LEU  35 -13.619   1.451  -4.955
  286   HD22  LEU  35          1HD2      LEU  35 -12.138   1.803  -4.032
  287   HD23  LEU  35          2HD2      LEU  35 -13.049   0.306  -3.717
  288    H    ARG  36           H        ARG  36 -17.303   0.198  -4.692
  289    HA   ARG  36           HA       ARG  36 -19.990   0.279  -4.727
  290    HB2  ARG  36           2HB      ARG  36 -18.054  -2.003  -4.152
  291    HB3  ARG  36           1HB      ARG  36 -19.781  -2.318  -4.164
  292    HG2  ARG  36           2HG      ARG  36 -19.989  -1.723  -6.460
  293    HG3  ARG  36           1HG      ARG  36 -18.434  -0.901  -6.484
  294    HD2  ARG  36           2HD      ARG  36 -18.617  -3.874  -5.887
  295    HD3  ARG  36           1HD      ARG  36 -18.560  -3.259  -7.538
  296    HE   ARG  36           HE       ARG  36 -16.408  -3.472  -5.698
  297   HH11  ARG  36          2HH2      ARG  36 -17.513  -1.503  -8.442
  298   HH12  ARG  36          1HH2      ARG  36 -15.858  -0.956  -8.825
  299   HH21  ARG  36          2HH1      ARG  36 -14.317  -2.761  -6.256
  300   HH22  ARG  36          1HH1      ARG  36 -14.115  -1.644  -7.632
  301    H    LEU  37           H        LEU  37 -18.210  -0.576  -1.789
  302    HA   LEU  37           HA       LEU  37 -20.626  -0.058  -0.110
  303    HB2  LEU  37           2HB      LEU  37 -20.039  -1.799   1.368
  304    HB3  LEU  37           1HB      LEU  37 -20.422  -2.428  -0.272
  305    HG   LEU  37           HG       LEU  37 -17.529  -2.059   0.534
  306   HD11  LEU  37          1HD1      LEU  37 -17.557  -4.333   1.442
  307   HD12  LEU  37          2HD1      LEU  37 -18.618  -3.273   2.400
  308   HD13  LEU  37          3HD1      LEU  37 -19.323  -4.415   1.231
  309   HD21  LEU  37          3HD2      LEU  37 -18.083  -2.641  -1.793
  310   HD22  LEU  37          1HD2      LEU  37 -17.218  -3.948  -0.950
  311   HD23  LEU  37          2HD2      LEU  37 -18.975  -4.068  -1.212
  312    HN1  NH2  38           3HN      NH2  38 -18.557   0.437   2.652
  313    HN2  NH2  38           2HN      NH2  38 -20.163   0.477   2.002
  Start of MODEL   12
    1    H1   ACE   0           2H1      ACE   0  12.238  -3.932  -2.723
    2    H2   ACE   0           3H1      ACE   0  13.566  -4.924  -3.372
    3    H3   ACE   0           1H1      ACE   0  12.418  -4.140  -4.482
    4    H    TRP   1           H        TRP   1  13.243  -6.937  -2.849
    5    HA   TRP   1           HA       TRP   1  10.464  -8.020  -2.847
    6    HB2  TRP   1           2HB      TRP   1  12.749  -8.958  -4.571
    7    HB3  TRP   1           1HB      TRP   1  11.460 -10.073  -4.015
    8    HD1  TRP   1           HD       TRP   1  12.258  -8.357  -6.925
    9    HE1  TRP   1           1HE      TRP   1  10.163  -7.562  -8.373
   10    HE3  TRP   1           3HE      TRP   1   8.800  -8.506  -3.312
   11    HZ2  TRP   1           2HZ      TRP   1   7.408  -7.132  -7.831
   12    HZ3  TRP   1           3HZ      TRP   1   6.488  -8.502  -3.830
   13    HH2  TRP   1           HH       TRP   1   5.672  -7.654  -6.106
   14    HA   PRO   2           HA       PRO   2  12.657  -9.235   0.977
   15    HB2  PRO   2           2HB      PRO   2  10.569  -9.056   2.524
   16    HB3  PRO   2           1HB      PRO   2  11.595  -7.623   2.031
   17    HG2  PRO   2           2HG      PRO   2   8.840  -8.491   0.936
   18    HG3  PRO   2           1HG      PRO   2   9.337  -6.857   1.372
   19    HD2  PRO   2           1HD      PRO   2   9.549  -7.825  -1.255
   20    HD3  PRO   2           2HD      PRO   2  10.760  -6.639  -0.587
   21    HA   PRO   3           HA       PRO   3  11.401 -13.515   0.764
   22    HB2  PRO   3           2HB      PRO   3  12.474 -14.466   2.991
   23    HB3  PRO   3           1HB      PRO   3  13.451 -13.959   1.614
   24    HG2  PRO   3           2HG      PRO   3  12.834 -12.405   4.172
   25    HG3  PRO   3           1HG      PRO   3  14.391 -12.614   3.374
   26    HD2  PRO   3           1HD      PRO   3  12.790 -10.349   2.925
   27    HD3  PRO   3           2HD      PRO   3  13.820 -11.047   1.592
   28    H    ARG   4           H        ARG   4  11.071 -13.170   4.283
   29    HA   ARG   4           HA       ARG   4   8.262 -14.020   4.030
   30    HB2  ARG   4           2HB      ARG   4  10.512 -14.343   6.005
   31    HB3  ARG   4           1HB      ARG   4   8.829 -14.376   6.622
   32    HG2  ARG   4           2HG      ARG   4   9.793 -16.216   4.400
   33    HG3  ARG   4           1HG      ARG   4   9.885 -16.654   6.102
   34    HD2  ARG   4           2HD      ARG   4   7.322 -15.858   6.026
   35    HD3  ARG   4           1HD      ARG   4   7.526 -16.372   4.326
   36    HE   ARG   4           HE       ARG   4   8.714 -18.319   5.948
   37   HH11  ARG   4          2HH2      ARG   4   5.396 -17.221   5.282
   38   HH12  ARG   4          1HH2      ARG   4   4.697 -18.782   5.791
   39   HH21  ARG   4          2HH1      ARG   4   7.772 -20.265   6.576
   40   HH22  ARG   4          1HH1      ARG   4   5.999 -20.449   6.499
   41    H    SER   5           H        SER   5   8.119 -11.605   3.330
   42    HA   SER   5           HA       SER   5   6.684 -10.047   5.211
   43    HB2  SER   5           2HB      SER   5   8.210  -8.177   5.615
   44    HB3  SER   5           1HB      SER   5   8.739  -9.634   6.432
   45    HG   SER   5           HG       SER   5  10.556  -8.992   5.528
   46    H    TYR   6           H        TYR   6   5.951  -8.160   4.443
   47    HA   TYR   6           HA       TYR   6   6.703  -7.294   1.645
   48    HB2  TYR   6           1HB      TYR   6   3.935  -7.723   2.596
   49    HB3  TYR   6           2HB      TYR   6   4.345  -7.014   1.183
   50    HD1  TYR   6           2HD      TYR   6   5.381  -8.302  -0.690
   51    HD2  TYR   6           1HD      TYR   6   3.969 -10.113   2.940
   52    HE1  TYR   6           2HE      TYR   6   5.589 -10.525  -1.730
   53    HE2  TYR   6           1HE      TYR   6   4.185 -12.349   1.910
   54    HH   TYR   6           HH       TYR   6   5.477 -13.475  -0.419
   55    H    THR   7           H        THR   7   6.230  -5.197   1.077
   56    HA   THR   7           HA       THR   7   6.340  -3.277   3.321
   57    HB   THR   7           HB       THR   7   7.088  -2.909   0.349
   58    HG1  THR   7           1HG      THR   7   8.565  -3.882   2.607
   59   HG21  THR   7          3HG2      THR   7   7.950  -1.396   2.809
   60   HG22  THR   7          1HG2      THR   7   8.472  -1.123   1.130
   61   HG23  THR   7          2HG2      THR   7   6.781  -0.824   1.596
   62    H    CYS   8           H        CYS   8   5.085  -1.175   3.073
   63    HA   CYS   8           HA       CYS   8   2.529  -1.732   1.762
   64    HB2  CYS   8           2HB      CYS   8   3.089  -0.912   4.320
   65    HB3  CYS   8           1HB      CYS   8   2.658   0.606   3.507
   66    H    SER   9           H        SER   9   5.443  -0.147   1.181
   67    HA   SER   9           HA       SER   9   6.297   1.481  -0.172
   68    HB2  SER   9           2HB      SER   9   5.355   2.336  -2.005
   69    HB3  SER   9           1HB      SER   9   4.589   0.792  -1.869
   70    HG   SER   9           HG       SER   9   2.773   1.769  -1.893
   71    H    PHE  10           H        PHE  10   3.137   2.712   0.979
   72    HA   PHE  10           HA       PHE  10   3.935   5.293   1.515
   73    HB2  PHE  10           1HB      PHE  10   1.730   3.650   1.811
   74    HB3  PHE  10           2HB      PHE  10   1.933   4.338   3.278
   75    HD1  PHE  10           1HD      PHE  10   1.990   6.919   3.450
   76    HD2  PHE  10           2HD      PHE  10   0.349   4.561   0.267
   77    HE1  PHE  10           1HE      PHE  10   0.318   8.694   2.993
   78    HE2  PHE  10           2HE      PHE  10  -1.316   6.336  -0.201
   79    HZ   PHE  10           HZ       PHE  10  -1.330   8.409   1.159
   80    H    CYS  11           H        CYS  11   3.761   2.580   4.100
   81    HA   CYS  11           HA       CYS  11   5.212   4.462   5.779
   82    HB2  CYS  11           2HB      CYS  11   4.912   2.776   7.535
   83    HB3  CYS  11           1HB      CYS  11   3.375   3.275   6.804
   84    H    LYS  12           H        LYS  12   6.367   2.886   3.196
   85    HA   LYS  12           HA       LYS  12   7.704   0.823   2.842
   86    HB2  LYS  12           2HB      LYS  12   9.886   1.694   2.781
   87    HB3  LYS  12           1HB      LYS  12   8.733   2.979   2.251
   88    HG2  LYS  12           2HG      LYS  12   9.998   3.003   5.014
   89    HG3  LYS  12           1HG      LYS  12  10.778   3.729   3.638
   90    HD2  LYS  12           2HD      LYS  12   8.363   4.920   3.371
   91    HD3  LYS  12           1HD      LYS  12   8.326   4.613   5.089
   92    HE2  LYS  12           2HE      LYS  12  10.545   5.719   5.306
   93    HE3  LYS  12           1HE      LYS  12  10.467   6.112   3.575
   94    HZ1  LYS  12           3HZ      LYS  12   8.477   6.885   5.616
   95    HZ2  LYS  12           1HZ      LYS  12   9.632   7.896   4.930
   96    HZ3  LYS  12           2HZ      LYS  12   8.403   7.257   3.977
   97    H    ARG  13           H        ARG  13   6.568   0.526   5.494
   98    HA   ARG  13           HA       ARG  13   8.701  -0.928   6.794
   99    HB2  ARG  13           2HB      ARG  13   6.346   0.489   7.563
  100    HB3  ARG  13           1HB      ARG  13   5.981  -1.196   7.913
  101    HG2  ARG  13           2HG      ARG  13   8.695  -0.281   8.806
  102    HG3  ARG  13           1HG      ARG  13   7.345   0.425   9.647
  103    HD2  ARG  13           2HD      ARG  13   7.331  -2.547   9.262
  104    HD3  ARG  13           1HD      ARG  13   8.434  -1.833  10.439
  105    HE   ARG  13           HE       ARG  13   5.549  -1.972  10.567
  106   HH11  ARG  13          2HH2      ARG  13   8.392  -0.299  11.902
  107   HH12  ARG  13          1HH2      ARG  13   7.524   0.162  13.391
  108   HH21  ARG  13          2HH1      ARG  13   4.501  -1.342  12.496
  109   HH22  ARG  13          1HH1      ARG  13   5.409  -0.405  13.714
  110    H    GLU  14           H        GLU  14   8.729  -3.064   7.254
  111    HA   GLU  14           HA       GLU  14   7.354  -4.847   5.310
  112    HB2  GLU  14           2HB      GLU  14   9.923  -5.105   6.892
  113    HB3  GLU  14           1HB      GLU  14   9.205  -6.414   5.956
  114    HG2  GLU  14           2HG      GLU  14   9.854  -5.506   3.965
  115    HG3  GLU  14           1HG      GLU  14   9.453  -3.860   4.461
  116    H    PHE  15           H        PHE  15   5.828  -6.053   5.898
  117    HA   PHE  15           HA       PHE  15   5.363  -6.790   8.749
  118    HB2  PHE  15           1HB      PHE  15   3.394  -6.454   6.580
  119    HB3  PHE  15           2HB      PHE  15   3.076  -6.679   8.165
  120    HD1  PHE  15           2HD      PHE  15   4.461  -4.219   5.805
  121    HD2  PHE  15           1HD      PHE  15   2.488  -4.946   9.553
  122    HE1  PHE  15           2HE      PHE  15   3.972  -1.815   6.009
  123    HE2  PHE  15           1HE      PHE  15   1.984  -2.526   9.749
  124    HZ   PHE  15           HZ       PHE  15   2.752  -0.954   7.985
  125    H    ARG  16           H        ARG  16   4.221  -8.812   9.090
  126    HA   ARG  16           HA       ARG  16   4.701 -10.923   7.033
  127    HB2  ARG  16           2HB      ARG  16   4.774 -12.450   8.967
  128    HB3  ARG  16           1HB      ARG  16   6.042 -11.182   9.057
  129    HG2  ARG  16           2HG      ARG  16   3.467 -10.722  10.550
  130    HG3  ARG  16           1HG      ARG  16   4.615 -11.879  11.213
  131    HD2  ARG  16           2HD      ARG  16   6.223 -10.253  11.632
  132    HD3  ARG  16           1HD      ARG  16   5.674  -9.205  10.326
  133    HE   ARG  16           HE       ARG  16   3.635  -9.430  12.282
  134   HH11  ARG  16          2HH2      ARG  16   6.988  -8.398  12.397
  135   HH12  ARG  16          1HH2      ARG  16   6.628  -6.950  13.376
  136   HH21  ARG  16          2HH1      ARG  16   3.193  -7.570  13.574
  137   HH22  ARG  16          1HH1      ARG  16   4.547  -6.499  14.023
  138    H    SER  17           H        SER  17   2.609  -9.932   6.111
  139    HA   SER  17           HA       SER  17   0.448 -11.867   6.670
  140    HB2  SER  17           2HB      SER  17   0.050  -8.958   7.363
  141    HB3  SER  17           1HB      SER  17  -1.248 -10.113   7.062
  142    HG   SER  17           HG       SER  17   0.694 -11.055   8.848
  143    H    ALA  18           H        ALA  18  -1.230 -11.877   5.135
  144    HA   ALA  18           HA       ALA  18  -0.731 -10.234   2.730
  145    HB1  ALA  18           1HB      ALA  18  -1.896 -12.067   1.554
  146    HB2  ALA  18           2HB      ALA  18  -0.457 -12.620   2.444
  147    HB3  ALA  18           3HB      ALA  18  -2.082 -12.920   3.105
  148    H    GLN  19           H        GLN  19  -2.663  -9.846   5.263
  149    HA   GLN  19           HA       GLN  19  -4.971  -8.804   3.706
  150    HB2  GLN  19           2HB      GLN  19  -5.002 -10.734   6.037
  151    HB3  GLN  19           1HB      GLN  19  -6.287  -9.535   5.900
  152    HG2  GLN  19           2HG      GLN  19  -7.109 -10.445   3.907
  153    HG3  GLN  19           1HG      GLN  19  -5.564 -11.187   3.479
  154   HE21  GLN  19          2HE2      GLN  19  -8.288 -11.364   5.816
  155   HE22  GLN  19          1HE2      GLN  19  -8.115 -13.113   6.122
  156    H    ALA  20           H        ALA  20  -3.727  -8.792   7.110
  157    HA   ALA  20           HA       ALA  20  -4.253  -6.314   7.963
  158    HB1  ALA  20           1HB      ALA  20  -2.199  -6.324   9.187
  159    HB2  ALA  20           2HB      ALA  20  -2.973  -7.926   9.212
  160    HB3  ALA  20           3HB      ALA  20  -1.564  -7.635   8.164
  161    H    LEU  21           H        LEU  21  -1.525  -6.903   5.622
  162    HA   LEU  21           HA       LEU  21  -0.774  -4.220   5.375
  163    HB2  LEU  21           2HB      LEU  21  -0.355  -6.573   3.531
  164    HB3  LEU  21           1HB      LEU  21   0.191  -4.967   3.115
  165    HG   LEU  21           HG       LEU  21   1.216  -5.060   5.569
  166   HD11  LEU  21          1HD1      LEU  21   2.008  -7.301   6.089
  167   HD12  LEU  21          2HD1      LEU  21   0.233  -7.185   6.157
  168   HD13  LEU  21          3HD1      LEU  21   1.022  -7.961   4.763
  169   HD21  LEU  21          3HD2      LEU  21   2.422  -4.709   3.437
  170   HD22  LEU  21          1HD2      LEU  21   3.292  -5.853   4.487
  171   HD23  LEU  21          2HD2      LEU  21   2.345  -6.456   3.106
  172    H    GLY  22           H        GLY  22  -2.996  -6.093   3.101
  173    HA2  GLY  22           2HA      GLY  22  -3.501  -4.042   1.277
  174    HA3  GLY  22           1HA      GLY  22  -4.620  -5.335   1.694
  175    H    GLY  23           H        GLY  23  -5.372  -4.906   4.264
  176    HA2  GLY  23           2HA      GLY  23  -7.126  -2.660   4.322
  177    HA3  GLY  23           1HA      GLY  23  -6.645  -3.624   5.691
  178    H    HIS  24           H        HIS  24  -3.788  -3.071   5.681
  179    HA   HIS  24           HA       HIS  24  -3.920  -0.710   7.205
  180    HB2  HIS  24           2HB      HIS  24  -2.488  -2.313   7.958
  181    HB3  HIS  24           1HB      HIS  24  -1.719  -2.527   6.353
  182    HD1  HIS  24           1HD      HIS  24  -1.000  -1.256   9.475
  183    HD2  HIS  24           2HD      HIS  24  -0.452   0.200   5.614
  184    HE1  HIS  24           1HE      HIS  24   0.888   0.560   9.637
  185    H    MET  25           H        MET  25  -2.601  -1.439   3.921
  186    HA   MET  25           HA       MET  25  -1.690   1.124   3.168
  187    HB2  MET  25           2HB      MET  25  -1.528  -1.290   2.079
  188    HB3  MET  25           1HB      MET  25  -2.947  -0.740   1.198
  189    HG2  MET  25           2HG      MET  25  -1.742   1.084   0.187
  190    HG3  MET  25           1HG      MET  25  -0.459   1.021   1.354
  191    HE1  MET  25           3HE      MET  25  -1.795  -0.146  -1.999
  192    HE2  MET  25           1HE      MET  25  -0.978  -1.699  -2.293
  193    HE3  MET  25           2HE      MET  25  -2.257  -1.586  -1.061
  194    H    ASN  26           H        ASN  26  -5.000  -0.305   2.835
  195    HA   ASN  26           HA       ASN  26  -6.180   1.954   1.589
  196    HB2  ASN  26           2HB      ASN  26  -7.121  -0.462   1.904
  197    HB3  ASN  26           1HB      ASN  26  -7.598   0.059   3.515
  198   HD21  ASN  26          2HD2      ASN  26  -8.174   0.322   0.083
  199   HD22  ASN  26          1HD2      ASN  26  -9.679   1.272   0.203
  200    H    VAL  27           H        VAL  27  -5.827   1.231   5.110
  201    HA   VAL  27           HA       VAL  27  -7.128   3.494   6.064
  202    HB   VAL  27           HB       VAL  27  -6.368   1.387   7.207
  203   HG11  VAL  27          1HG1      VAL  27  -4.595   1.720   8.854
  204   HG12  VAL  27          2HG1      VAL  27  -3.938   1.693   7.201
  205   HG13  VAL  27          3HG1      VAL  27  -4.125   3.241   8.059
  206   HG21  VAL  27          3HG2      VAL  27  -7.936   2.958   8.029
  207   HG22  VAL  27          1HG2      VAL  27  -6.805   2.499   9.323
  208   HG23  VAL  27          2HG2      VAL  27  -6.638   4.075   8.513
  209    H    HIS  28           H        HIS  28  -3.954   3.452   4.481
  210    HA   HIS  28           HA       HIS  28  -2.780   5.692   5.520
  211    HB2  HIS  28           2HB      HIS  28  -2.770   4.571   2.749
  212    HB3  HIS  28           1HB      HIS  28  -1.752   5.947   3.278
  213    HD1  HIS  28           1HD      HIS  28  -1.320   4.625   6.130
  214    HD2  HIS  28           2HD      HIS  28  -0.518   2.917   2.419
  215    HE1  HIS  28           1HE      HIS  28   0.509   2.786   6.546
  216    H    ARG  29           H        ARG  29  -4.274   5.960   2.282
  217    HA   ARG  29           HA       ARG  29  -6.374   7.679   2.615
  218    HB2  ARG  29           2HB      ARG  29  -3.844   9.171   2.845
  219    HB3  ARG  29           1HB      ARG  29  -4.993   9.786   1.607
  220    HG2  ARG  29           2HG      ARG  29  -5.846   9.288   4.444
  221    HG3  ARG  29           1HG      ARG  29  -5.038  10.811   3.951
  222    HD2  ARG  29           2HD      ARG  29  -7.136  11.522   3.634
  223    HD3  ARG  29           1HD      ARG  29  -6.990  10.637   2.081
  224    HE   ARG  29           HE       ARG  29  -8.655   9.310   2.757
  225   HH11  ARG  29          2HH2      ARG  29  -7.179  10.427   5.798
  226   HH12  ARG  29          1HH2      ARG  29  -8.510   9.750   6.775
  227   HH21  ARG  29          2HH1      ARG  29 -10.264   8.417   4.063
  228   HH22  ARG  29          1HH1      ARG  29 -10.188   8.653   5.830
  229    H    ARG  30           H        ARG  30  -6.992   6.327   0.822
  230    HA   ARG  30           HA       ARG  30  -5.742   6.798  -1.815
  231    HB2  ARG  30           2HB      ARG  30  -8.087   5.179  -0.844
  232    HB3  ARG  30           1HB      ARG  30  -8.039   5.689  -2.508
  233    HG2  ARG  30           2HG      ARG  30  -5.648   4.763  -2.522
  234    HG3  ARG  30           1HG      ARG  30  -6.164   3.928  -1.015
  235    HD2  ARG  30           2HD      ARG  30  -8.222   3.087  -2.290
  236    HD3  ARG  30           1HD      ARG  30  -7.554   3.773  -3.763
  237    HE   ARG  30           HE       ARG  30  -5.595   2.125  -2.670
  238   HH11  ARG  30          2HH2      ARG  30  -8.516   2.027  -4.636
  239   HH12  ARG  30          1HH2      ARG  30  -8.315   0.300  -5.039
  240   HH21  ARG  30          2HH1      ARG  30  -5.336  -0.076  -3.237
  241   HH22  ARG  30          1HH1      ARG  30  -6.563  -0.854  -4.273
  242    H    ASP  31           H        ASP  31  -5.577   9.033  -1.746
  243    HA   ASP  31           HA       ASP  31  -8.108  10.445  -2.414
  244    HB2  ASP  31           2HB      ASP  31  -5.344  11.495  -1.724
  245    HB3  ASP  31           1HB      ASP  31  -6.624  12.501  -2.327
  246    H    ARG  32           H        ARG  32  -8.563   9.597  -4.449
  247    HA   ARG  32           HA       ARG  32  -6.606  10.182  -6.637
  248    HB2  ARG  32           2HB      ARG  32  -7.900   8.794  -8.013
  249    HB3  ARG  32           1HB      ARG  32  -7.585   7.901  -6.478
  250    HG2  ARG  32           2HG      ARG  32  -9.792   7.298  -6.915
  251    HG3  ARG  32           1HG      ARG  32 -10.054   8.700  -5.904
  252    HD2  ARG  32           2HD      ARG  32 -10.563  10.093  -7.793
  253    HD3  ARG  32           1HD      ARG  32  -9.965   8.894  -8.935
  254    HE   ARG  32           HE       ARG  32 -11.936   7.840  -8.838
  255   HH11  ARG  32          2HH2      ARG  32 -11.989  10.144  -6.144
  256   HH12  ARG  32          1HH2      ARG  32 -13.628   9.645  -5.645
  257   HH21  ARG  32          2HH1      ARG  32 -14.026   7.294  -8.212
  258   HH22  ARG  32          1HH1      ARG  32 -14.748   8.083  -6.784
  259    H    ALA  33           H        ALA  33  -6.873  11.369  -8.269
  260    HA   ALA  33           HA       ALA  33  -8.975  13.454  -8.060
  261    HB1  ALA  33           1HB      ALA  33  -7.300  14.906  -9.194
  262    HB2  ALA  33           2HB      ALA  33  -6.684  14.284  -7.644
  263    HB3  ALA  33           3HB      ALA  33  -6.135  13.561  -9.175
  264    H    ARG  34           H        ARG  34  -9.321  14.454 -10.368
  265    HA   ARG  34           HA       ARG  34  -9.986  12.520 -12.290
  266    HB2  ARG  34           2HB      ARG  34 -10.697  15.120 -11.802
  267    HB3  ARG  34           1HB      ARG  34  -9.458  15.466 -12.982
  268    HG2  ARG  34           2HG      ARG  34 -10.918  13.440 -14.178
  269    HG3  ARG  34           1HG      ARG  34 -12.134  14.446 -13.334
  270    HD2  ARG  34           2HD      ARG  34 -10.617  16.436 -14.353
  271    HD3  ARG  34           1HD      ARG  34 -10.236  15.201 -15.561
  272    HE   ARG  34           HE       ARG  34 -12.995  15.154 -15.247
  273   HH11  ARG  34          2HH2      ARG  34 -10.525  17.355 -16.535
  274   HH12  ARG  34          1HH2      ARG  34 -11.712  18.254 -17.519
  275   HH21  ARG  34          2HH1      ARG  34 -14.473  16.352 -16.500
  276   HH22  ARG  34          1HH1      ARG  34 -13.874  17.703 -17.500
  277    H    LEU  35           H        LEU  35  -8.641  14.368 -14.515
  278    HA   LEU  35           HA       LEU  35  -6.954  14.107 -16.065
  279    HB2  LEU  35           2HB      LEU  35  -5.420  13.805 -13.636
  280    HB3  LEU  35           1HB      LEU  35  -4.838  12.732 -14.874
  281    HG   LEU  35           HG       LEU  35  -5.231  15.025 -16.318
  282   HD11  LEU  35          1HD1      LEU  35  -4.315  16.857 -15.022
  283   HD12  LEU  35          2HD1      LEU  35  -5.887  16.310 -14.392
  284   HD13  LEU  35          3HD1      LEU  35  -4.385  15.860 -13.550
  285   HD21  LEU  35          3HD2      LEU  35  -3.261  13.523 -16.319
  286   HD22  LEU  35          1HD2      LEU  35  -2.776  15.226 -16.135
  287   HD23  LEU  35          2HD2      LEU  35  -2.787  14.147 -14.720
  288    H    ARG  36           H        ARG  36  -7.359  12.786 -17.627
  289    HA   ARG  36           HA       ARG  36  -7.221   9.852 -17.128
  290    HB2  ARG  36           2HB      ARG  36  -9.327  11.340 -18.096
  291    HB3  ARG  36           1HB      ARG  36  -8.505  10.859 -19.604
  292    HG2  ARG  36           2HG      ARG  36  -8.629   8.474 -18.955
  293    HG3  ARG  36           1HG      ARG  36  -9.261   8.885 -17.374
  294    HD2  ARG  36           2HD      ARG  36 -11.231   9.950 -18.561
  295    HD3  ARG  36           1HD      ARG  36 -10.611   9.175 -20.049
  296    HE   ARG  36           HE       ARG  36 -11.811   7.885 -17.722
  297   HH11  ARG  36          2HH2      ARG  36  -9.866   7.252 -20.636
  298   HH12  ARG  36          1HH2      ARG  36 -10.207   5.502 -20.569
  299   HH21  ARG  36          2HH1      ARG  36 -12.206   5.677 -17.697
  300   HH22  ARG  36          1HH1      ARG  36 -11.489   4.639 -18.959
  301    H    LEU  37           H        LEU  37  -6.574  12.140 -19.846
  302    HA   LEU  37           HA       LEU  37  -4.768  10.494 -21.200
  303    HB2  LEU  37           2HB      LEU  37  -5.120  13.525 -21.096
  304    HB3  LEU  37           1HB      LEU  37  -4.045  12.728 -22.230
  305    HG   LEU  37           HG       LEU  37  -6.771  11.583 -22.160
  306   HD11  LEU  37          1HD1      LEU  37  -7.760  13.456 -23.396
  307   HD12  LEU  37          2HD1      LEU  37  -7.308  13.941 -21.745
  308   HD13  LEU  37          3HD1      LEU  37  -6.290  14.422 -23.123
  309   HD21  LEU  37          3HD2      LEU  37  -5.041  10.957 -23.816
  310   HD22  LEU  37          1HD2      LEU  37  -6.444  11.723 -24.599
  311   HD23  LEU  37          2HD2      LEU  37  -4.945  12.651 -24.353
  312    HN1  NH2  38           3HN      NH2  38  -3.139   9.799 -18.925
  313    HN2  NH2  38           2HN      NH2  38  -3.355   9.674 -20.640
  Start of MODEL   13
    1    H1   ACE   0           2H1      ACE   0  11.058 -12.323 -13.935
    2    H2   ACE   0           3H1      ACE   0  10.075 -10.890 -14.317
    3    H3   ACE   0           1H1      ACE   0  11.665 -10.697 -13.544
    4    H    TRP   1           H        TRP   1  10.502  -9.429 -11.982
    5    HA   TRP   1           HA       TRP   1   9.507  -9.179  -9.885
    6    HB2  TRP   1           2HB      TRP   1   8.066 -11.748 -10.582
    7    HB3  TRP   1           1HB      TRP   1   7.645 -10.588  -9.284
    8    HD1  TRP   1           HD       TRP   1   8.324  -9.990 -12.997
    9    HE1  TRP   1           1HE      TRP   1   6.333  -8.533 -14.010
   10    HE3  TRP   1           3HE      TRP   1   5.637  -9.447  -8.808
   11    HZ2  TRP   1           2HZ      TRP   1   3.962  -7.383 -12.953
   12    HZ3  TRP   1           3HZ      TRP   1   3.378  -8.749  -8.888
   13    HH2  TRP   1           HH       TRP   1   2.469  -7.529 -10.949
   14    HA   PRO   2           HA       PRO   2  12.340 -11.480  -7.296
   15    HB2  PRO   2           2HB      PRO   2  11.451 -10.633  -4.888
   16    HB3  PRO   2           1HB      PRO   2  12.372  -9.577  -5.959
   17    HG2  PRO   2           2HG      PRO   2   9.335  -9.728  -5.613
   18    HG3  PRO   2           1HG      PRO   2  10.355  -8.295  -5.595
   19    HD2  PRO   2           1HD      PRO   2   9.101  -9.094  -7.952
   20    HD3  PRO   2           2HD      PRO   2  10.818  -8.474  -8.026
   21    HA   PRO   3           HA       PRO   3  10.399 -15.237  -6.171
   22    HB2  PRO   3           2HB      PRO   3  11.757 -16.034  -3.910
   23    HB3  PRO   3           1HB      PRO   3  12.450 -16.126  -5.529
   24    HG2  PRO   3           2HG      PRO   3  12.809 -13.915  -3.443
   25    HG3  PRO   3           1HG      PRO   3  14.053 -14.724  -4.390
   26    HD2  PRO   3           1HD      PRO   3  12.981 -12.291  -5.242
   27    HD3  PRO   3           2HD      PRO   3  13.341 -13.591  -6.476
   28    H    ARG   4           H        ARG   4  10.584 -12.754  -3.658
   29    HA   ARG   4           HA       ARG   4   7.911 -13.042  -2.727
   30    HB2  ARG   4           2HB      ARG   4   8.313 -13.744  -0.486
   31    HB3  ARG   4           1HB      ARG   4   8.982 -15.005  -1.571
   32    HG2  ARG   4           2HG      ARG   4  11.281 -14.058  -1.158
   33    HG3  ARG   4           1HG      ARG   4  10.592 -12.915  -0.021
   34    HD2  ARG   4           2HD      ARG   4  11.374 -14.650   1.298
   35    HD3  ARG   4           1HD      ARG   4   9.619 -14.962   1.186
   36    HE   ARG   4           HE       ARG   4  10.943 -16.250  -0.959
   37   HH11  ARG   4          2HH2      ARG   4  10.119 -16.745   2.442
   38   HH12  ARG   4          1HH2      ARG   4  10.579 -18.468   2.397
   39   HH21  ARG   4          2HH1      ARG   4  11.459 -18.445  -0.998
   40   HH22  ARG   4          1HH1      ARG   4  11.314 -19.407   0.497
   41    H    SER   5           H        SER   5   7.659 -11.474  -0.836
   42    HA   SER   5           HA       SER   5   7.835  -9.345   0.066
   43    HB2  SER   5           2HB      SER   5   9.908 -10.284   1.039
   44    HB3  SER   5           1HB      SER   5  10.804  -9.609  -0.311
   45    HG   SER   5           HG       SER   5  10.691  -8.275   1.608
   46    H    TYR   6           H        TYR   6   7.801  -7.314  -0.367
   47    HA   TYR   6           HA       TYR   6   8.914  -6.117  -2.849
   48    HB2  TYR   6           2HB      TYR   6   6.114  -7.040  -2.693
   49    HB3  TYR   6           1HB      TYR   6   6.346  -5.336  -3.198
   50    HD1  TYR   6           1HD      TYR   6   8.653  -5.303  -4.884
   51    HD2  TYR   6           2HD      TYR   6   5.651  -8.343  -4.494
   52    HE1  TYR   6           1HE      TYR   6   8.815  -5.772  -7.310
   53    HE2  TYR   6           2HE      TYR   6   5.905  -8.916  -6.859
   54    HH   TYR   6           HH       TYR   6   7.972  -8.314  -8.934
   55    H    THR   7           H        THR   7   8.152  -3.934  -3.214
   56    HA   THR   7           HA       THR   7   8.594  -2.471  -0.693
   57    HB   THR   7           HB       THR   7   9.273  -1.441  -3.492
   58    HG1  THR   7           1HG      THR   7  10.873  -3.365  -2.047
   59   HG21  THR   7          3HG2      THR   7  10.715  -1.286  -0.823
   60   HG22  THR   7          1HG2      THR   7  11.191  -0.463  -2.328
   61   HG23  THR   7          2HG2      THR   7   9.671  -0.021  -1.515
   62    H    CYS   8           H        CYS   8   7.554  -0.211  -0.639
   63    HA   CYS   8           HA       CYS   8   5.000  -0.302  -2.060
   64    HB2  CYS   8           2HB      CYS   8   5.576   0.170   0.584
   65    HB3  CYS   8           1HB      CYS   8   5.344   1.804  -0.067
   66    H    SER   9           H        SER   9   8.116   1.038  -2.356
   67    HA   SER   9           HA       SER   9   9.154   2.726  -3.497
   68    HB2  SER   9           2HB      SER   9   8.458   3.834  -5.178
   69    HB3  SER   9           1HB      SER   9   7.547   2.293  -5.253
   70    HG   SER   9           HG       SER   9   5.750   3.397  -5.260
   71    H    PHE  10           H        PHE  10   6.028   4.176  -2.415
   72    HA   PHE  10           HA       PHE  10   7.022   6.593  -1.451
   73    HB2  PHE  10           1HB      PHE  10   4.701   4.960  -0.873
   74    HB3  PHE  10           2HB      PHE  10   5.032   6.194   0.143
   75    HD1  PHE  10           1HD      PHE  10   4.688   5.694  -3.515
   76    HD2  PHE  10           2HD      PHE  10   3.721   7.987  -0.020
   77    HE1  PHE  10           1HE      PHE  10   3.174   7.119  -4.862
   78    HE2  PHE  10           2HE      PHE  10   2.171   9.383  -1.353
   79    HZ   PHE  10           HZ       PHE  10   1.934   8.981  -3.789
   80    H    CYS  11           H        CYS  11   6.856   3.460   0.524
   81    HA   CYS  11           HA       CYS  11   8.305   5.071   2.518
   82    HB2  CYS  11           2HB      CYS  11   7.544   3.508   4.197
   83    HB3  CYS  11           1HB      CYS  11   6.160   4.201   3.331
   84    H    LYS  12           H        LYS  12   9.358   3.520  -0.057
   85    HA   LYS  12           HA       LYS  12  10.205   1.210  -0.477
   86    HB2  LYS  12           2HB      LYS  12  12.539   1.668  -0.397
   87    HB3  LYS  12           1HB      LYS  12  11.675   3.184  -0.854
   88    HG2  LYS  12           2HG      LYS  12  12.700   2.666   1.922
   89    HG3  LYS  12           1HG      LYS  12  13.705   3.390   0.627
   90    HD2  LYS  12           2HD      LYS  12  11.788   5.163   0.435
   91    HD3  LYS  12           1HD      LYS  12  11.255   4.572   1.993
   92    HE2  LYS  12           2HE      LYS  12  12.648   6.413   2.431
   93    HE3  LYS  12           1HE      LYS  12  13.627   4.987   2.831
   94    HZ1  LYS  12           3HZ      LYS  12  13.715   6.486   0.290
   95    HZ2  LYS  12           1HZ      LYS  12  14.851   6.567   1.527
   96    HZ3  LYS  12           2HZ      LYS  12  14.642   5.135   0.670
   97    H    ARG  13           H        ARG  13   8.852   0.877   2.048
   98    HA   ARG  13           HA       ARG  13  10.638  -0.888   3.484
   99    HB2  ARG  13           2HB      ARG  13   8.818   0.584   4.572
  100    HB3  ARG  13           1HB      ARG  13   7.619  -0.452   3.845
  101    HG2  ARG  13           2HG      ARG  13   8.994  -2.400   5.087
  102    HG3  ARG  13           1HG      ARG  13   9.530  -1.092   6.087
  103    HD2  ARG  13           2HD      ARG  13   6.627  -1.535   5.493
  104    HD3  ARG  13           1HD      ARG  13   7.520  -2.362   6.811
  105    HE   ARG  13           HE       ARG  13   6.590   0.373   6.722
  106   HH11  ARG  13          2HH2      ARG  13   9.099  -1.637   8.232
  107   HH12  ARG  13          1HH2      ARG  13   9.063  -0.687   9.741
  108   HH21  ARG  13          2HH1      ARG  13   6.606   1.551   8.662
  109   HH22  ARG  13          1HH1      ARG  13   7.707   1.052   9.975
  110    H    GLU  14           H        GLU  14  10.750  -2.985   3.402
  111    HA   GLU  14           HA       GLU  14   9.446  -4.518   1.249
  112    HB2  GLU  14           2HB      GLU  14  11.572  -5.298   3.247
  113    HB3  GLU  14           1HB      GLU  14  10.860  -6.385   2.091
  114    HG2  GLU  14           2HG      GLU  14  12.562  -5.697   0.725
  115    HG3  GLU  14           1HG      GLU  14  11.628  -4.270   0.441
  116    H    PHE  15           H        PHE  15   7.607  -5.351   1.430
  117    HA   PHE  15           HA       PHE  15   6.534  -6.432   3.997
  118    HB2  PHE  15           1HB      PHE  15   5.319  -5.276   1.604
  119    HB3  PHE  15           2HB      PHE  15   4.481  -6.389   2.455
  120    HD1  PHE  15           1HD      PHE  15   5.862  -3.023   2.534
  121    HD2  PHE  15           2HD      PHE  15   3.597  -6.011   4.637
  122    HE1  PHE  15           1HE      PHE  15   4.814  -1.260   3.931
  123    HE2  PHE  15           2HE      PHE  15   2.739  -4.276   6.184
  124    HZ   PHE  15           HZ       PHE  15   3.554  -1.951   5.974
  125    H    ARG  16           H        ARG  16   5.184  -8.300   3.835
  126    HA   ARG  16           HA       ARG  16   6.454 -10.343   2.124
  127    HB2  ARG  16           2HB      ARG  16   5.719 -11.889   3.911
  128    HB3  ARG  16           1HB      ARG  16   6.627 -10.516   4.619
  129    HG2  ARG  16           2HG      ARG  16   4.488  -9.474   5.295
  130    HG3  ARG  16           1HG      ARG  16   3.601 -10.850   4.613
  131    HD2  ARG  16           2HD      ARG  16   5.024 -12.338   6.159
  132    HD3  ARG  16           1HD      ARG  16   5.513 -10.839   6.973
  133    HE   ARG  16           HE       ARG  16   2.726 -10.794   6.753
  134   HH11  ARG  16          2HH2      ARG  16   5.193 -12.587   8.568
  135   HH12  ARG  16          1HH2      ARG  16   4.033 -13.062   9.838
  136   HH21  ARG  16          2HH1      ARG  16   1.292 -11.428   8.396
  137   HH22  ARG  16          1HH1      ARG  16   1.899 -12.426   9.744
  138    H    SER  17           H        SER  17   4.315  -8.681   1.021
  139    HA   SER  17           HA       SER  17   2.750 -10.634  -0.275
  140    HB2  SER  17           2HB      SER  17   0.483 -10.031   0.687
  141    HB3  SER  17           1HB      SER  17   1.496 -11.129   1.624
  142    HG   SER  17           HG       SER  17   0.993  -9.730   3.167
  143    H    ALA  18           H        ALA  18   1.811  -9.918  -2.024
  144    HA   ALA  18           HA       ALA  18   2.340  -7.343  -3.012
  145    HB1  ALA  18           1HB      ALA  18   1.033  -8.084  -4.955
  146    HB2  ALA  18           2HB      ALA  18   2.210  -9.305  -4.414
  147    HB3  ALA  18           3HB      ALA  18   0.483  -9.502  -4.031
  148    H    GLN  19           H        GLN  19  -0.866  -8.761  -2.060
  149    HA   GLN  19           HA       GLN  19  -2.348  -6.389  -2.605
  150    HB2  GLN  19           2HB      GLN  19  -2.942  -9.023  -2.117
  151    HB3  GLN  19           1HB      GLN  19  -3.377  -8.281  -0.563
  152    HG2  GLN  19           2HG      GLN  19  -4.801  -6.621  -1.755
  153    HG3  GLN  19           1HG      GLN  19  -4.363  -7.349  -3.304
  154   HE21  GLN  19          2HE2      GLN  19  -4.934  -9.640  -3.665
  155   HE22  GLN  19          1HE2      GLN  19  -6.403 -10.274  -2.875
  156    H    ALA  20           H        ALA  20  -0.980  -7.583   0.542
  157    HA   ALA  20           HA       ALA  20  -1.840  -5.499   2.173
  158    HB1  ALA  20           1HB      ALA  20   0.107  -5.866   3.515
  159    HB2  ALA  20           2HB      ALA  20  -0.655  -7.401   3.034
  160    HB3  ALA  20           3HB      ALA  20   0.835  -6.856   2.227
  161    H    LEU  21           H        LEU  21   0.998  -5.477  -0.132
  162    HA   LEU  21           HA       LEU  21   1.669  -2.772   0.364
  163    HB2  LEU  21           2HB      LEU  21   2.231  -4.685  -1.866
  164    HB3  LEU  21           1HB      LEU  21   2.772  -2.985  -1.904
  165    HG   LEU  21           HG       LEU  21   3.265  -4.513   0.633
  166   HD11  LEU  21          1HD1      LEU  21   5.296  -5.527  -0.317
  167   HD12  LEU  21          2HD1      LEU  21   3.837  -6.142  -1.129
  168   HD13  LEU  21          3HD1      LEU  21   4.851  -4.918  -1.929
  169   HD21  LEU  21          3HD2      LEU  21   3.922  -2.148   0.372
  170   HD22  LEU  21          1HD2      LEU  21   5.338  -3.205   0.585
  171   HD23  LEU  21          2HD2      LEU  21   4.925  -2.586  -1.031
  172    H    GLY  22           H        GLY  22  -0.323  -4.164  -2.419
  173    HA2  GLY  22           2HA      GLY  22  -1.041  -1.835  -3.716
  174    HA3  GLY  22           1HA      GLY  22  -2.129  -3.187  -3.506
  175    H    GLY  23           H        GLY  23  -2.753  -3.217  -0.830
  176    HA2  GLY  23           2HA      GLY  23  -4.502  -0.968  -0.349
  177    HA3  GLY  23           1HA      GLY  23  -4.089  -2.207   0.782
  178    H    HIS  24           H        HIS  24  -1.244  -1.793   1.004
  179    HA   HIS  24           HA       HIS  24  -1.406   0.176   3.020
  180    HB2  HIS  24           2HB      HIS  24  -0.098  -1.650   3.466
  181    HB3  HIS  24           1HB      HIS  24   0.800  -1.506   1.921
  182    HD1  HIS  24           1HD      HIS  24   1.255  -1.035   5.312
  183    HD2  HIS  24           2HD      HIS  24   2.210   1.241   1.960
  184    HE1  HIS  24           1HE      HIS  24   3.169   0.601   6.057
  185    H    MET  25           H        MET  25   0.085   0.104  -0.267
  186    HA   MET  25           HA       MET  25   1.202   2.672  -0.424
  187    HB2  MET  25           2HB      MET  25   0.953   0.469  -2.020
  188    HB3  MET  25           1HB      MET  25  -0.203   1.600  -2.795
  189    HG2  MET  25           2HG      MET  25   2.683   2.253  -2.196
  190    HG3  MET  25           1HG      MET  25   2.087   1.607  -3.763
  191    HE1  MET  25           3HE      MET  25   1.901   3.018  -5.640
  192    HE2  MET  25           1HE      MET  25   2.282   4.754  -5.556
  193    HE3  MET  25           2HE      MET  25   3.411   3.561  -4.871
  194    H    ASN  26           H        ASN  26  -2.138   1.574  -1.344
  195    HA   ASN  26           HA       ASN  26  -3.132   4.173  -1.894
  196    HB2  ASN  26           2HB      ASN  26  -4.137   1.847  -2.518
  197    HB3  ASN  26           1HB      ASN  26  -4.769   1.800  -0.881
  198   HD21  ASN  26          2HD2      ASN  26  -6.821   2.337  -0.783
  199   HD22  ASN  26          1HD2      ASN  26  -7.610   3.602  -1.763
  200    H    VAL  27           H        VAL  27  -2.913   2.530   1.310
  201    HA   VAL  27           HA       VAL  27  -4.315   4.565   2.650
  202    HB   VAL  27           HB       VAL  27  -3.733   2.249   3.364
  203   HG11  VAL  27          1HG1      VAL  27  -2.112   2.139   5.187
  204   HG12  VAL  27          2HG1      VAL  27  -1.305   2.422   3.627
  205   HG13  VAL  27          3HG1      VAL  27  -1.518   3.765   4.775
  206   HG21  VAL  27          3HG2      VAL  27  -5.320   3.696   4.355
  207   HG22  VAL  27          1HG2      VAL  27  -4.336   2.921   5.619
  208   HG23  VAL  27          2HG2      VAL  27  -4.040   4.619   5.176
  209    H    HIS  28           H        HIS  28  -1.076   4.776   1.293
  210    HA   HIS  28           HA       HIS  28   0.167   6.604   2.858
  211    HB2  HIS  28           2HB      HIS  28   0.202   6.186  -0.090
  212    HB3  HIS  28           1HB      HIS  28   1.223   7.409   0.731
  213    HD1  HIS  28           1HD      HIS  28   1.659   5.539   3.233
  214    HD2  HIS  28           2HD      HIS  28   2.403   4.585  -0.750
  215    HE1  HIS  28           1HE      HIS  28   3.462   3.629   3.261
  216    H    ARG  29           H        ARG  29  -1.312   8.106   3.818
  217    HA   ARG  29           HA       ARG  29  -2.757   9.909   3.987
  218    HB2  ARG  29           2HB      ARG  29  -0.388  10.906   3.780
  219    HB3  ARG  29           1HB      ARG  29  -0.753  11.213   2.087
  220    HG2  ARG  29           2HG      ARG  29  -2.866  12.504   2.951
  221    HG3  ARG  29           1HG      ARG  29  -2.138  12.431   4.524
  222    HD2  ARG  29           2HD      ARG  29  -0.660  13.558   2.142
  223    HD3  ARG  29           1HD      ARG  29  -1.716  14.513   3.181
  224    HE   ARG  29           HE       ARG  29   0.074  13.085   4.804
  225   HH11  ARG  29          2HH2      ARG  29   0.337  15.613   2.325
  226   HH12  ARG  29          1HH2      ARG  29   1.696  16.413   3.161
  227   HH21  ARG  29          2HH1      ARG  29   1.825  14.122   5.809
  228   HH22  ARG  29          1HH1      ARG  29   2.513  15.592   5.069
  229    H    ARG  30           H        ARG  30  -4.237   8.404   2.794
  230    HA   ARG  30           HA       ARG  30  -5.466   9.991   0.586
  231    HB2  ARG  30           2HB      ARG  30  -5.066   6.971   0.793
  232    HB3  ARG  30           1HB      ARG  30  -6.304   7.679  -0.221
  233    HG2  ARG  30           2HG      ARG  30  -3.368   8.443  -0.465
  234    HG3  ARG  30           1HG      ARG  30  -4.117   7.150  -1.384
  235    HD2  ARG  30           2HD      ARG  30  -5.559   8.650  -2.535
  236    HD3  ARG  30           1HD      ARG  30  -5.233   9.967  -1.396
  237    HE   ARG  30           HE       ARG  30  -3.260  10.404  -2.441
  238   HH11  ARG  30          2HH2      ARG  30  -4.126   7.137  -3.544
  239   HH12  ARG  30          1HH2      ARG  30  -2.925   7.187  -4.862
  240   HH21  ARG  30          2HH1      ARG  30  -1.756  10.399  -4.096
  241   HH22  ARG  30          1HH1      ARG  30  -1.622   8.975  -5.161
  242    H    ASP  31           H        ASP  31  -7.634   9.418   0.136
  243    HA   ASP  31           HA       ASP  31  -9.476   8.754   2.234
  244    HB2  ASP  31           2HB      ASP  31  -8.650  10.889   3.151
  245    HB3  ASP  31           1HB      ASP  31  -9.243  11.704   1.668
  246    H    ARG  32           H        ARG  32  -9.009  10.858  -0.660
  247    HA   ARG  32           HA       ARG  32 -10.265  11.250  -2.524
  248    HB2  ARG  32           2HB      ARG  32  -9.341   8.607  -2.455
  249    HB3  ARG  32           1HB      ARG  32 -11.057   8.465  -2.918
  250    HG2  ARG  32           2HG      ARG  32 -10.202  10.639  -4.491
  251    HG3  ARG  32           1HG      ARG  32  -8.788   9.642  -4.497
  252    HD2  ARG  32           2HD      ARG  32 -11.524   8.547  -5.246
  253    HD3  ARG  32           1HD      ARG  32 -10.409   9.229  -6.384
  254    HE   ARG  32           HE       ARG  32  -9.131   7.220  -4.858
  255   HH11  ARG  32          2HH2      ARG  32 -11.637   7.590  -7.346
  256   HH12  ARG  32          1HH2      ARG  32 -11.246   6.023  -8.102
  257   HH21  ARG  32          2HH1      ARG  32  -8.669   5.221  -5.876
  258   HH22  ARG  32          1HH1      ARG  32  -9.627   4.729  -7.299
  259    H    ALA  33           H        ALA  33 -11.757  12.501  -1.496
  260    HA   ALA  33           HA       ALA  33 -13.752  13.128  -0.459
  261    HB1  ALA  33           1HB      ALA  33 -15.649  12.741  -1.817
  262    HB2  ALA  33           2HB      ALA  33 -14.230  13.240  -2.769
  263    HB3  ALA  33           3HB      ALA  33 -14.750  11.538  -2.773
  264    H    ARG  34           H        ARG  34 -13.577  12.214   1.577
  265    HA   ARG  34           HA       ARG  34 -13.809   9.745   2.547
  266    HB2  ARG  34           2HB      ARG  34 -13.545  11.921   3.819
  267    HB3  ARG  34           1HB      ARG  34 -15.323  12.112   3.722
  268    HG2  ARG  34           2HG      ARG  34 -14.266   9.549   4.951
  269    HG3  ARG  34           1HG      ARG  34 -14.155  10.986   5.906
  270    HD2  ARG  34           2HD      ARG  34 -16.783  10.307   4.618
  271    HD3  ARG  34           1HD      ARG  34 -16.240   9.476   6.074
  272    HE   ARG  34           HE       ARG  34 -17.128  12.203   5.828
  273   HH11  ARG  34          2HH2      ARG  34 -15.537   9.824   7.910
  274   HH12  ARG  34          1HH2      ARG  34 -15.663  10.862   9.356
  275   HH21  ARG  34          2HH1      ARG  34 -17.247  13.512   7.710
  276   HH22  ARG  34          1HH1      ARG  34 -16.599  12.877   9.246
  277    H    LEU  35           H        LEU  35 -16.792  11.535   1.777
  278    HA   LEU  35           HA       LEU  35 -18.928  10.846   1.314
  279    HB2  LEU  35           2HB      LEU  35 -17.903   9.593  -0.371
  280    HB3  LEU  35           1HB      LEU  35 -17.539   8.260   0.779
  281    HG   LEU  35           HG       LEU  35 -20.132   8.185   1.066
  282   HD11  LEU  35          1HD1      LEU  35 -21.397   8.783  -0.903
  283   HD12  LEU  35          2HD1      LEU  35 -20.685  10.203  -0.100
  284   HD13  LEU  35          3HD1      LEU  35 -19.959   9.570  -1.596
  285   HD21  LEU  35          3HD2      LEU  35 -18.712   6.404   0.086
  286   HD22  LEU  35          1HD2      LEU  35 -20.233   6.581  -0.822
  287   HD23  LEU  35          2HD2      LEU  35 -18.721   7.256  -1.477
  288    H    ARG  36           H        ARG  36 -17.683   7.918   2.876
  289    HA   ARG  36           HA       ARG  36 -18.833   8.015   5.430
  290    HB2  ARG  36           2HB      ARG  36 -20.836   6.503   5.124
  291    HB3  ARG  36           1HB      ARG  36 -21.100   8.040   4.358
  292    HG2  ARG  36           2HG      ARG  36 -20.269   6.956   2.210
  293    HG3  ARG  36           1HG      ARG  36 -20.456   5.409   3.094
  294    HD2  ARG  36           2HD      ARG  36 -22.779   5.938   3.510
  295    HD3  ARG  36           1HD      ARG  36 -22.577   7.468   2.561
  296    HE   ARG  36           HE       ARG  36 -21.822   4.857   1.369
  297   HH11  ARG  36          2HH2      ARG  36 -23.519   7.923   0.872
  298   HH12  ARG  36          1HH2      ARG  36 -24.156   7.403  -0.711
  299   HH21  ARG  36          2HH1      ARG  36 -22.628   4.251  -0.625
  300   HH22  ARG  36          1HH1      ARG  36 -23.658   5.385  -1.539
  301    H    LEU  37           H        LEU  37 -17.266   6.954   6.300
  302    HA   LEU  37           HA       LEU  37 -17.013   4.101   5.876
  303    HB2  LEU  37           2HB      LEU  37 -15.401   5.629   4.182
  304    HB3  LEU  37           1HB      LEU  37 -14.321   5.120   5.469
  305    HG   LEU  37           HG       LEU  37 -16.189   3.069   4.295
  306   HD11  LEU  37          1HD1      LEU  37 -14.552   2.623   2.526
  307   HD12  LEU  37          2HD1      LEU  37 -15.249   4.251   2.350
  308   HD13  LEU  37          3HD1      LEU  37 -13.612   4.051   3.019
  309   HD21  LEU  37          3HD2      LEU  37 -14.754   2.506   6.227
  310   HD22  LEU  37          1HD2      LEU  37 -14.282   1.607   4.765
  311   HD23  LEU  37          2HD2      LEU  37 -13.320   3.006   5.299
  312    HN1  NH2  38           3HN      NH2  38 -15.018   3.676   6.260
  313    HN2  NH2  38           2HN      NH2  38 -16.719   3.479   6.525
  Start of MODEL   14
    1    H1   ACE   0           2H1      ACE   0   8.648  -8.986 -11.240
    2    H2   ACE   0           3H1      ACE   0   6.878  -8.962 -11.053
    3    H3   ACE   0           1H1      ACE   0   7.770  -7.438 -11.273
    4    H    TRP   1           H        TRP   1   7.898 -10.334  -9.194
    5    HA   TRP   1           HA       TRP   1   9.147  -9.231  -6.954
    6    HB2  TRP   1           2HB      TRP   1   6.650  -7.952  -7.356
    7    HB3  TRP   1           1HB      TRP   1   6.469  -9.069  -5.967
    8    HD1  TRP   1           HD       TRP   1   8.575  -6.116  -7.084
    9    HE1  TRP   1           1HE      TRP   1   9.433  -4.793  -4.929
   10    HE3  TRP   1           3HE      TRP   1   6.601  -9.102  -3.587
   11    HZ2  TRP   1           2HZ      TRP   1   9.178  -5.167  -2.125
   12    HZ3  TRP   1           3HZ      TRP   1   7.327  -9.000  -1.337
   13    HH2  TRP   1           HH       TRP   1   8.550  -6.925  -0.459
   14    HA   PRO   2           HA       PRO   2   8.655 -13.509  -5.932
   15    HB2  PRO   2           2HB      PRO   2   9.523 -13.410  -3.352
   16    HB3  PRO   2           1HB      PRO   2  10.627 -13.334  -4.725
   17    HG2  PRO   2           2HG      PRO   2   9.493 -11.020  -3.079
   18    HG3  PRO   2           1HG      PRO   2  11.164 -11.291  -3.563
   19    HD2  PRO   2           1HD      PRO   2   9.493  -9.632  -5.072
   20    HD3  PRO   2           2HD      PRO   2  10.668 -10.741  -5.930
   21    HA   PRO   3           HA       PRO   3   4.747 -13.706  -3.728
   22    HB2  PRO   3           2HB      PRO   3   4.623 -16.381  -3.289
   23    HB3  PRO   3           1HB      PRO   3   4.390 -15.705  -4.900
   24    HG2  PRO   3           2HG      PRO   3   6.944 -16.893  -3.702
   25    HG3  PRO   3           1HG      PRO   3   6.212 -17.252  -5.263
   26    HD2  PRO   3           1HD      PRO   3   8.245 -15.326  -5.009
   27    HD3  PRO   3           2HD      PRO   3   6.876 -15.067  -6.195
   28    H    ARG   4           H        ARG   4   4.172 -15.354  -1.613
   29    HA   ARG   4           HA       ARG   4   4.225 -15.453   0.667
   30    HB2  ARG   4           2HB      ARG   4   6.126 -16.952   0.151
   31    HB3  ARG   4           1HB      ARG   4   7.228 -15.535   0.205
   32    HG2  ARG   4           2HG      ARG   4   7.589 -16.234   2.374
   33    HG3  ARG   4           1HG      ARG   4   6.086 -15.426   2.718
   34    HD2  ARG   4           2HD      ARG   4   6.011 -18.330   1.860
   35    HD3  ARG   4           1HD      ARG   4   6.420 -17.907   3.493
   36    HE   ARG   4           HE       ARG   4   4.128 -16.506   2.970
   37   HH11  ARG   4          2HH2      ARG   4   5.053 -19.916   2.706
   38   HH12  ARG   4          1HH2      ARG   4   3.478 -20.491   3.317
   39   HH21  ARG   4          2HH1      ARG   4   2.088 -17.304   3.685
   40   HH22  ARG   4          1HH1      ARG   4   1.861 -19.066   3.850
   41    H    SER   5           H        SER   5   3.256 -13.747   1.225
   42    HA   SER   5           HA       SER   5   2.764 -11.618   2.012
   43    HB2  SER   5           2HB      SER   5   3.742 -10.785   3.682
   44    HB3  SER   5           1HB      SER   5   4.283 -12.494   3.778
   45    HG   SER   5           HG       SER   5   6.336 -11.907   3.159
   46    H    TYR   6           H        TYR   6   2.794  -9.536   1.645
   47    HA   TYR   6           HA       TYR   6   4.794  -8.364  -0.305
   48    HB2  TYR   6           1HB      TYR   6   1.890  -8.405  -0.765
   49    HB3  TYR   6           2HB      TYR   6   2.946  -7.447  -1.560
   50    HD1  TYR   6           1HD      TYR   6   1.842 -10.886  -1.114
   51    HD2  TYR   6           2HD      TYR   6   4.257  -8.171  -3.399
   52    HE1  TYR   6           1HE      TYR   6   2.174 -12.634  -2.834
   53    HE2  TYR   6           2HE      TYR   6   4.641  -9.919  -5.092
   54    HH   TYR   6           HH       TYR   6   4.129 -13.076  -4.955
   55    H    THR   7           H        THR   7   4.735  -6.179  -0.587
   56    HA   THR   7           HA       THR   7   4.310  -4.724   1.938
   57    HB   THR   7           HB       THR   7   5.968  -3.954  -0.554
   58    HG1  THR   7           1HG      THR   7   6.609  -5.656   1.667
   59   HG21  THR   7          3HG2      THR   7   6.250  -3.163   2.345
   60   HG22  THR   7          1HG2      THR   7   7.279  -2.659   0.983
   61   HG23  THR   7          2HG2      THR   7   5.577  -2.143   1.052
   62    H    CYS   8           H        CYS   8   3.421  -2.496   1.854
   63    HA   CYS   8           HA       CYS   8   1.385  -2.252  -0.228
   64    HB2  CYS   8           2HB      CYS   8   1.205  -2.065   2.505
   65    HB3  CYS   8           1HB      CYS   8   1.254  -0.366   1.997
   66    H    SER   9           H        SER   9   4.510  -1.185   0.479
   67    HA   SER   9           HA       SER   9   5.958   0.484  -0.101
   68    HB2  SER   9           2HB      SER   9   5.840   1.825  -1.773
   69    HB3  SER   9           1HB      SER   9   4.897   0.387  -2.279
   70    HG   SER   9           HG       SER   9   3.179   1.604  -2.557
   71    H    PHE  10           H        PHE  10   2.759   2.041   0.260
   72    HA   PHE  10           HA       PHE  10   3.585   4.283   1.603
   73    HB2  PHE  10           1HB      PHE  10   1.259   3.001   0.807
   74    HB3  PHE  10           2HB      PHE  10   1.007   3.355   2.381
   75    HD1  PHE  10           1HD      PHE  10   1.439   4.683  -0.920
   76    HD2  PHE  10           2HD      PHE  10   0.461   5.544   3.167
   77    HE1  PHE  10           1HE      PHE  10   0.311   6.771  -1.634
   78    HE2  PHE  10           2HE      PHE  10  -0.704   7.613   2.453
   79    HZ   PHE  10           HZ       PHE  10  -0.750   8.248   0.059
   80    H    CYS  11           H        CYS  11   2.550   1.115   3.231
   81    HA   CYS  11           HA       CYS  11   3.469   2.405   5.701
   82    HB2  CYS  11           2HB      CYS  11   2.353   0.560   6.860
   83    HB3  CYS  11           1HB      CYS  11   1.236   1.474   5.828
   84    H    LYS  12           H        LYS  12   5.230   1.175   3.329
   85    HA   LYS  12           HA       LYS  12   6.275  -1.023   2.872
   86    HB2  LYS  12           2HB      LYS  12   8.457  -0.545   3.579
   87    HB3  LYS  12           1HB      LYS  12   7.662   1.051   3.296
   88    HG2  LYS  12           2HG      LYS  12   8.102  -0.142   6.019
   89    HG3  LYS  12           1HG      LYS  12   9.279   0.927   5.186
   90    HD2  LYS  12           2HD      LYS  12   6.811   2.348   5.156
   91    HD3  LYS  12           1HD      LYS  12   6.920   1.679   6.754
   92    HE2  LYS  12           2HE      LYS  12   7.962   3.735   6.917
   93    HE3  LYS  12           1HE      LYS  12   9.325   2.616   6.799
   94    HZ1  LYS  12           3HZ      LYS  12   8.153   4.146   4.573
   95    HZ2  LYS  12           1HZ      LYS  12   9.593   4.488   5.371
   96    HZ3  LYS  12           2HZ      LYS  12   9.449   3.081   4.461
   97    H    ARG  13           H        ARG  13   4.285  -1.649   4.844
   98    HA   ARG  13           HA       ARG  13   5.643  -3.679   6.410
   99    HB2  ARG  13           2HB      ARG  13   3.264  -1.993   6.646
  100    HB3  ARG  13           1HB      ARG  13   2.753  -3.654   6.737
  101    HG2  ARG  13           2HG      ARG  13   4.158  -4.083   8.643
  102    HG3  ARG  13           1HG      ARG  13   5.022  -2.574   8.442
  103    HD2  ARG  13           2HD      ARG  13   3.416  -2.218  10.221
  104    HD3  ARG  13           1HD      ARG  13   2.767  -1.364   8.861
  105    HE   ARG  13           HE       ARG  13   1.798  -3.858   9.990
  106   HH11  ARG  13          2HH2      ARG  13   1.325  -1.285   7.588
  107   HH12  ARG  13          1HH2      ARG  13  -0.425  -1.611   7.460
  108   HH21  ARG  13          2HH1      ARG  13  -0.404  -4.300   9.711
  109   HH22  ARG  13          1HH1      ARG  13  -1.373  -3.269   8.625
  110    H    GLU  14           H        GLU  14   5.046  -5.789   6.473
  111    HA   GLU  14           HA       GLU  14   4.254  -7.021   3.859
  112    HB2  GLU  14           2HB      GLU  14   5.186  -9.020   4.701
  113    HB3  GLU  14           1HB      GLU  14   6.321  -7.659   4.379
  114    HG2  GLU  14           2HG      GLU  14   5.447  -8.337   7.209
  115    HG3  GLU  14           1HG      GLU  14   6.785  -9.164   6.453
  116    H    PHE  15           H        PHE  15   2.402  -7.605   3.531
  117    HA   PHE  15           HA       PHE  15   0.600  -8.670   5.639
  118    HB2  PHE  15           1HB      PHE  15   0.246  -7.368   3.048
  119    HB3  PHE  15           2HB      PHE  15  -0.921  -8.378   3.582
  120    HD1  PHE  15           2HD      PHE  15   1.032  -5.513   4.932
  121    HD2  PHE  15           1HD      PHE  15  -2.786  -7.404   4.378
  122    HE1  PHE  15           2HE      PHE  15  -0.025  -3.832   6.394
  123    HE2  PHE  15           1HE      PHE  15  -3.834  -5.750   5.886
  124    HZ   PHE  15           HZ       PHE  15  -2.384  -4.148   7.127
  125    H    ARG  16           H        ARG  16  -0.874 -10.380   4.963
  126    HA   ARG  16           HA       ARG  16   0.459 -12.409   3.254
  127    HB2  ARG  16           2HB      ARG  16  -0.853 -12.500   5.991
  128    HB3  ARG  16           1HB      ARG  16  -0.960 -13.937   4.968
  129    HG2  ARG  16           2HG      ARG  16   1.477 -14.106   4.839
  130    HG3  ARG  16           1HG      ARG  16   1.685 -12.550   5.625
  131    HD2  ARG  16           2HD      ARG  16   0.182 -14.752   7.030
  132    HD3  ARG  16           1HD      ARG  16   1.958 -14.721   7.010
  133    HE   ARG  16           HE       ARG  16   1.388 -12.199   7.736
  134   HH11  ARG  16          2HH2      ARG  16  -0.147 -15.137   9.004
  135   HH12  ARG  16          1HH2      ARG  16  -0.199 -14.489  10.665
  136   HH21  ARG  16          2HH1      ARG  16   1.213 -11.394   9.832
  137   HH22  ARG  16          1HH1      ARG  16   0.543 -12.433  11.118
  138    H    SER  17           H        SER  17  -1.196 -10.639   1.987
  139    HA   SER  17           HA       SER  17  -2.910 -12.384   0.557
  140    HB2  SER  17           2HB      SER  17  -5.100 -11.248   1.119
  141    HB3  SER  17           1HB      SER  17  -4.473 -12.393   2.317
  142    HG   SER  17           HG       SER  17  -4.726 -10.767   3.666
  143    H    ALA  18           H        ALA  18  -3.387 -11.627  -1.384
  144    HA   ALA  18           HA       ALA  18  -2.322  -9.189  -2.444
  145    HB1  ALA  18           1HB      ALA  18  -3.415  -9.839  -4.450
  146    HB2  ALA  18           2HB      ALA  18  -2.555 -11.211  -3.711
  147    HB3  ALA  18           3HB      ALA  18  -4.326 -11.099  -3.583
  148    H    GLN  19           H        GLN  19  -5.829 -10.037  -2.016
  149    HA   GLN  19           HA       GLN  19  -6.696  -7.398  -2.702
  150    HB2  GLN  19           2HB      GLN  19  -8.000  -9.657  -2.794
  151    HB3  GLN  19           1HB      GLN  19  -8.297  -9.390  -1.072
  152    HG2  GLN  19           2HG      GLN  19  -9.308  -7.131  -1.634
  153    HG3  GLN  19           1HG      GLN  19  -9.068  -7.456  -3.329
  154   HE21  GLN  19          2HE2      GLN  19 -11.068  -7.543  -4.057
  155   HE22  GLN  19          1HE2      GLN  19 -12.295  -8.703  -3.482
  156    H    ALA  20           H        ALA  20  -6.368  -8.858   0.624
  157    HA   ALA  20           HA       ALA  20  -7.034  -6.439   1.902
  158    HB1  ALA  20           1HB      ALA  20  -6.131  -7.445   3.894
  159    HB2  ALA  20           2HB      ALA  20  -7.270  -8.486   3.007
  160    HB3  ALA  20           3HB      ALA  20  -5.521  -8.802   2.916
  161    H    LEU  21           H        LEU  21  -3.953  -7.153   0.254
  162    HA   LEU  21           HA       LEU  21  -2.846  -4.720   1.303
  163    HB2  LEU  21           2HB      LEU  21  -2.111  -6.697  -0.826
  164    HB3  LEU  21           1HB      LEU  21  -1.372  -5.092  -0.857
  165    HG   LEU  21           HG       LEU  21  -1.443  -6.578   1.760
  166   HD11  LEU  21          1HD1      LEU  21   0.636  -7.723   1.104
  167   HD12  LEU  21          2HD1      LEU  21  -0.721  -8.230   0.070
  168   HD13  LEU  21          3HD1      LEU  21   0.482  -7.071  -0.544
  169   HD21  LEU  21          3HD2      LEU  21  -0.600  -4.260   1.647
  170   HD22  LEU  21          1HD2      LEU  21   0.689  -5.415   2.059
  171   HD23  LEU  21          2HD2      LEU  21   0.579  -4.755   0.410
  172    H    GLY  22           H        GLY  22  -4.239  -5.566  -2.009
  173    HA2  GLY  22           2HA      GLY  22  -4.172  -3.047  -3.183
  174    HA3  GLY  22           1HA      GLY  22  -5.435  -4.223  -3.472
  175    H    GLY  23           H        GLY  23  -6.871  -4.385  -1.174
  176    HA2  GLY  23           2HA      GLY  23  -8.423  -1.985  -0.952
  177    HA3  GLY  23           1HA      GLY  23  -8.489  -3.370   0.101
  178    H    HIS  24           H        HIS  24  -5.739  -3.316   1.147
  179    HA   HIS  24           HA       HIS  24  -6.223  -1.457   3.206
  180    HB2  HIS  24           2HB      HIS  24  -5.165  -3.389   3.807
  181    HB3  HIS  24           1HB      HIS  24  -3.945  -3.247   2.503
  182    HD1  HIS  24           1HD      HIS  24  -4.242  -2.935   5.945
  183    HD2  HIS  24           2HD      HIS  24  -2.344  -0.676   3.007
  184    HE1  HIS  24           1HE      HIS  24  -2.414  -1.508   7.179
  185    H    MET  25           H        MET  25  -3.980  -1.453   0.373
  186    HA   MET  25           HA       MET  25  -2.752   1.052   0.670
  187    HB2  MET  25           2HB      MET  25  -2.538  -0.990  -1.084
  188    HB3  MET  25           1HB      MET  25  -3.513   0.104  -2.053
  189    HG2  MET  25           2HG      MET  25  -1.897   1.901  -1.698
  190    HG3  MET  25           1HG      MET  25  -0.906   0.799  -0.688
  191    HE1  MET  25           3HE      MET  25  -1.182  -1.949  -2.427
  192    HE2  MET  25           1HE      MET  25   0.273  -1.828  -3.444
  193    HE3  MET  25           2HE      MET  25   0.352  -1.387  -1.722
  194    H    ASN  26           H        ASN  26  -5.881   0.302  -1.044
  195    HA   ASN  26           HA       ASN  26  -6.541   2.956  -1.679
  196    HB2  ASN  26           2HB      ASN  26  -7.729   0.729  -2.352
  197    HB3  ASN  26           1HB      ASN  26  -8.580   0.861  -0.819
  198   HD21  ASN  26          2HD2      ASN  26 -10.037   2.621  -0.454
  199   HD22  ASN  26          1HD2      ASN  26 -10.686   3.544  -1.836
  200    H    VAL  27           H        VAL  27  -7.178   1.236   1.442
  201    HA   VAL  27           HA       VAL  27  -8.563   3.357   2.662
  202    HB   VAL  27           HB       VAL  27  -8.393   0.931   3.273
  203   HG11  VAL  27          1HG1      VAL  27  -7.196   0.512   5.360
  204   HG12  VAL  27          2HG1      VAL  27  -6.064   0.791   4.016
  205   HG13  VAL  27          3HG1      VAL  27  -6.361   2.076   5.210
  206   HG21  VAL  27          3HG2      VAL  27  -9.982   2.501   4.065
  207   HG22  VAL  27          1HG2      VAL  27  -9.359   1.534   5.423
  208   HG23  VAL  27          2HG2      VAL  27  -8.797   3.206   5.190
  209    H    HIS  28           H        HIS  28  -5.112   3.215   1.956
  210    HA   HIS  28           HA       HIS  28  -4.072   4.851   3.871
  211    HB2  HIS  28           2HB      HIS  28  -3.394   4.494   0.987
  212    HB3  HIS  28           1HB      HIS  28  -2.456   5.545   2.096
  213    HD1  HIS  28           1HD      HIS  28  -2.948   3.491   4.488
  214    HD2  HIS  28           2HD      HIS  28  -1.219   2.705   0.784
  215    HE1  HIS  28           1HE      HIS  28  -1.421   1.381   4.824
  216    H    ARG  29           H        ARG  29  -6.384   5.662   1.381
  217    HA   ARG  29           HA       ARG  29  -7.477   7.501   0.740
  218    HB2  ARG  29           2HB      ARG  29  -7.681   7.512   3.317
  219    HB3  ARG  29           1HB      ARG  29  -6.427   8.796   3.285
  220    HG2  ARG  29           2HG      ARG  29  -7.858  10.281   2.162
  221    HG3  ARG  29           1HG      ARG  29  -9.066   8.984   1.855
  222    HD2  ARG  29           2HD      ARG  29  -9.297   8.725   4.408
  223    HD3  ARG  29           1HD      ARG  29  -8.263  10.121   4.615
  224    HE   ARG  29           HE       ARG  29 -10.021  11.419   4.270
  225   HH11  ARG  29          2HH2      ARG  29 -10.905   8.318   2.758
  226   HH12  ARG  29          1HH2      ARG  29 -12.532   8.908   2.324
  227   HH21  ARG  29          2HH1      ARG  29 -12.090  12.100   3.698
  228   HH22  ARG  29          1HH1      ARG  29 -13.181  10.979   2.841
  229    H    ARG  30           H        ARG  30  -5.954   7.409  -0.907
  230    HA   ARG  30           HA       ARG  30  -3.849   9.375  -1.162
  231    HB2  ARG  30           2HB      ARG  30  -3.794   8.594  -3.478
  232    HB3  ARG  30           1HB      ARG  30  -3.888   7.190  -2.362
  233    HG2  ARG  30           2HG      ARG  30  -5.473   6.463  -3.869
  234    HG3  ARG  30           1HG      ARG  30  -6.542   7.526  -2.984
  235    HD2  ARG  30           2HD      ARG  30  -6.936   8.577  -4.882
  236    HD3  ARG  30           1HD      ARG  30  -5.265   9.196  -4.841
  237    HE   ARG  30           HE       ARG  30  -5.255   6.537  -5.802
  238   HH11  ARG  30          2HH2      ARG  30  -6.182   9.763  -7.003
  239   HH12  ARG  30          1HH2      ARG  30  -6.001   9.257  -8.704
  240   HH21  ARG  30          2HH1      ARG  30  -5.059   5.968  -7.967
  241   HH22  ARG  30          1HH1      ARG  30  -5.387   7.185  -9.230
  242    H    ASP  31           H        ASP  31  -3.873  10.825  -3.125
  243    HA   ASP  31           HA       ASP  31  -4.529  12.802  -4.088
  244    HB2  ASP  31           2HB      ASP  31  -6.258  11.337  -4.997
  245    HB3  ASP  31           1HB      ASP  31  -7.330  11.849  -3.646
  246    H    ARG  32           H        ARG  32  -3.514  13.774  -2.224
  247    HA   ARG  32           HA       ARG  32  -5.400  15.378  -0.603
  248    HB2  ARG  32           2HB      ARG  32  -4.365  13.413   0.760
  249    HB3  ARG  32           1HB      ARG  32  -2.806  14.156   0.505
  250    HG2  ARG  32           2HG      ARG  32  -3.611  14.853   2.641
  251    HG3  ARG  32           1HG      ARG  32  -3.710  16.262   1.585
  252    HD2  ARG  32           2HD      ARG  32  -6.141  15.736   1.192
  253    HD3  ARG  32           1HD      ARG  32  -6.007  14.427   2.375
  254    HE   ARG  32           HE       ARG  32  -5.039  16.945   3.376
  255   HH11  ARG  32          2HH2      ARG  32  -7.902  14.877   3.072
  256   HH12  ARG  32          1HH2      ARG  32  -8.811  15.797   4.301
  257   HH21  ARG  32          2HH1      ARG  32  -6.213  18.048   4.984
  258   HH22  ARG  32          1HH1      ARG  32  -7.882  17.536   5.352
  259    H    ALA  33           H        ALA  33  -5.155  17.373  -1.046
  260    HA   ALA  33           HA       ALA  33  -4.438  19.403  -1.612
  261    HB1  ALA  33           1HB      ALA  33  -2.235  20.174  -1.023
  262    HB2  ALA  33           2HB      ALA  33  -3.077  19.329   0.298
  263    HB3  ALA  33           3HB      ALA  33  -1.775  18.509  -0.597
  264    H    ARG  34           H        ARG  34  -1.867  17.187  -2.662
  265    HA   ARG  34           HA       ARG  34  -2.140  17.404  -5.471
  266    HB2  ARG  34           2HB      ARG  34  -0.117  18.578  -6.065
  267    HB3  ARG  34           1HB      ARG  34  -1.370  19.663  -5.351
  268    HG2  ARG  34           2HG      ARG  34   0.589  20.554  -4.455
  269    HG3  ARG  34           1HG      ARG  34   0.146  19.442  -3.186
  270    HD2  ARG  34           2HD      ARG  34   1.898  18.049  -3.597
  271    HD3  ARG  34           1HD      ARG  34   1.877  18.331  -5.341
  272    HE   ARG  34           HE       ARG  34   2.614  20.674  -3.841
  273   HH11  ARG  34          2HH2      ARG  34   3.921  17.674  -5.233
  274   HH12  ARG  34          1HH2      ARG  34   5.570  18.345  -5.342
  275   HH21  ARG  34          2HH1      ARG  34   4.714  21.502  -4.089
  276   HH22  ARG  34          1HH1      ARG  34   6.004  20.441  -4.718
  277    H    LEU  35           H        LEU  35   0.299  16.805  -2.950
  278    HA   LEU  35           HA       LEU  35   1.831  15.076  -2.732
  279    HB2  LEU  35           2HB      LEU  35  -0.630  13.684  -3.607
  280    HB3  LEU  35           1HB      LEU  35   0.873  12.802  -3.601
  281    HG   LEU  35           HG       LEU  35   0.009  14.432  -1.208
  282   HD11  LEU  35          1HD1      LEU  35  -0.931  12.331  -0.329
  283   HD12  LEU  35          2HD1      LEU  35  -1.792  12.842  -1.800
  284   HD13  LEU  35          3HD1      LEU  35  -0.599  11.524  -1.880
  285   HD21  LEU  35          3HD2      LEU  35   2.371  13.698  -1.314
  286   HD22  LEU  35          1HD2      LEU  35   1.474  12.833  -0.043
  287   HD23  LEU  35          2HD2      LEU  35   1.835  12.023  -1.587
  288    H    ARG  36           H        ARG  36   2.953  13.200  -4.037
  289    HA   ARG  36           HA       ARG  36   3.993  14.287  -6.439
  290    HB2  ARG  36           2HB      ARG  36   5.162  12.953  -4.616
  291    HB3  ARG  36           1HB      ARG  36   4.274  11.501  -5.198
  292    HG2  ARG  36           2HG      ARG  36   6.144  12.955  -7.089
  293    HG3  ARG  36           1HG      ARG  36   6.805  11.865  -5.911
  294    HD2  ARG  36           2HD      ARG  36   4.984  10.205  -6.827
  295    HD3  ARG  36           1HD      ARG  36   5.037  11.295  -8.233
  296    HE   ARG  36           HE       ARG  36   7.049   9.445  -7.368
  297   HH11  ARG  36          2HH2      ARG  36   6.537  12.258  -9.460
  298   HH12  ARG  36          1HH2      ARG  36   8.169  12.127 -10.168
  299   HH21  ARG  36          2HH1      ARG  36   9.066   9.285  -8.322
  300   HH22  ARG  36          1HH1      ARG  36   9.559  10.486  -9.546
  301    H    LEU  37           H        LEU  37   1.783  11.542  -5.822
  302    HA   LEU  37           HA       LEU  37   0.628  10.137  -7.135
  303    HB2  LEU  37           2HB      LEU  37   0.031  12.784  -8.105
  304    HB3  LEU  37           1HB      LEU  37  -0.230  11.566  -9.326
  305    HG   LEU  37           HG       LEU  37  -1.258  11.200  -6.504
  306   HD11  LEU  37          1HD1      LEU  37  -3.381  12.114  -7.337
  307   HD12  LEU  37          2HD1      LEU  37  -2.096  13.344  -7.404
  308   HD13  LEU  37          3HD1      LEU  37  -2.611  12.514  -8.891
  309   HD21  LEU  37          3HD2      LEU  37  -1.178   9.202  -7.959
  310   HD22  LEU  37          1HD2      LEU  37  -2.850   9.723  -7.643
  311   HD23  LEU  37          2HD2      LEU  37  -2.087  10.083  -9.210
  312    HN1  NH2  38           3HN      NH2  38   1.353   8.336  -9.330
  313    HN2  NH2  38           2HN      NH2  38   1.610   8.650  -7.646
  Start of MODEL   15
    1    H1   ACE   0           2H1      ACE   0  10.691  -5.754 -15.080
    2    H2   ACE   0           3H1      ACE   0  11.129  -4.038 -14.905
    3    H3   ACE   0           1H1      ACE   0  12.401  -5.284 -14.936
    4    H    TRP   1           H        TRP   1  11.435  -7.210 -13.337
    5    HA   TRP   1           HA       TRP   1  12.072  -6.209 -10.709
    6    HB2  TRP   1           2HB      TRP   1   9.468  -5.549 -11.393
    7    HB3  TRP   1           1HB      TRP   1   9.308  -7.074 -10.465
    8    HD1  TRP   1           HD       TRP   1  10.403  -6.992  -8.001
    9    HE1  TRP   1           1HE      TRP   1  10.423  -5.020  -6.199
   10    HE3  TRP   1           3HE      TRP   1   9.255  -3.206 -11.068
   11    HZ2  TRP   1           2HZ      TRP   1   9.990  -2.219  -6.301
   12    HZ3  TRP   1           3HZ      TRP   1   9.619  -0.958 -10.426
   13    HH2  TRP   1           HH       TRP   1   9.848  -0.340  -7.949
   14    HA   PRO   2           HA       PRO   2  12.918 -10.593 -10.555
   15    HB2  PRO   2           2HB      PRO   2  13.913 -10.641  -8.062
   16    HB3  PRO   2           1HB      PRO   2  14.818  -9.909  -9.387
   17    HG2  PRO   2           2HG      PRO   2  13.063  -8.511  -7.303
   18    HG3  PRO   2           1HG      PRO   2  14.705  -8.099  -7.783
   19    HD2  PRO   2           1HD      PRO   2  12.514  -6.842  -8.975
   20    HD3  PRO   2           2HD      PRO   2  13.966  -7.280  -9.991
   21    HA   PRO   3           HA       PRO   3   9.519 -12.535  -8.481
   22    HB2  PRO   3           2HB      PRO   3  10.608 -14.916  -7.656
   23    HB3  PRO   3           1HB      PRO   3  10.164 -14.583  -9.330
   24    HG2  PRO   3           2HG      PRO   3  12.916 -14.320  -8.016
   25    HG3  PRO   3           1HG      PRO   3  12.513 -15.104  -9.540
   26    HD2  PRO   3           1HD      PRO   3  13.414 -12.460  -9.493
   27    HD3  PRO   3           2HD      PRO   3  12.085 -12.936 -10.656
   28    H    ARG   4           H        ARG   4  12.531 -12.044  -6.718
   29    HA   ARG   4           HA       ARG   4  11.846 -12.402  -4.099
   30    HB2  ARG   4           2HB      ARG   4  13.470 -10.292  -5.590
   31    HB3  ARG   4           1HB      ARG   4  13.450 -10.388  -3.802
   32    HG2  ARG   4           2HG      ARG   4  14.203 -12.828  -5.422
   33    HG3  ARG   4           1HG      ARG   4  15.395 -11.555  -5.155
   34    HD2  ARG   4           2HD      ARG   4  15.754 -12.271  -3.044
   35    HD3  ARG   4           1HD      ARG   4  14.036 -12.166  -2.654
   36    HE   ARG   4           HE       ARG   4  15.480 -14.507  -3.687
   37   HH11  ARG   4          2HH2      ARG   4  12.430 -13.150  -2.475
   38   HH12  ARG   4          1HH2      ARG   4  11.737 -14.763  -2.159
   39   HH21  ARG   4          2HH1      ARG   4  14.523 -16.542  -3.306
   40   HH22  ARG   4          1HH1      ARG   4  12.881 -16.616  -2.614
   41    H    SER   5           H        SER   5  11.461 -10.679  -2.402
   42    HA   SER   5           HA       SER   5   9.087  -9.457  -2.352
   43    HB2  SER   5           2HB      SER   5  11.703  -8.455  -1.104
   44    HB3  SER   5           1HB      SER   5  10.105  -7.922  -0.607
   45    HG   SER   5           HG       SER   5  10.857  -9.577   0.741
   46    H    TYR   6           H        TYR   6   8.193  -7.487  -2.516
   47    HA   TYR   6           HA       TYR   6   9.392  -5.748  -4.691
   48    HB2  TYR   6           1HB      TYR   6   6.517  -6.162  -4.147
   49    HB3  TYR   6           2HB      TYR   6   7.190  -5.467  -5.463
   50    HD1  TYR   6           1HD      TYR   6   6.417  -8.582  -3.827
   51    HD2  TYR   6           2HD      TYR   6   8.021  -6.765  -7.362
   52    HE1  TYR   6           1HE      TYR   6   6.444 -10.786  -4.939
   53    HE2  TYR   6           2HE      TYR   6   8.296  -8.991  -8.387
   54    HH   TYR   6           HH       TYR   6   7.843 -11.927  -7.287
   55    H    THR   7           H        THR   7   9.292  -3.608  -4.587
   56    HA   THR   7           HA       THR   7   9.083  -2.350  -1.971
   57    HB   THR   7           HB       THR   7   9.885  -1.155  -4.708
   58    HG1  THR   7           1HG      THR   7  11.518  -2.560  -2.808
   59   HG21  THR   7          3HG2      THR   7  10.749  -0.446  -1.910
   60   HG22  THR   7          1HG2      THR   7  11.282   0.304  -3.434
   61   HG23  THR   7          2HG2      THR   7   9.592   0.472  -2.903
   62    H    CYS   8           H        CYS   8   7.782  -0.334  -1.616
   63    HA   CYS   8           HA       CYS   8   5.325  -0.412  -3.207
   64    HB2  CYS   8           2HB      CYS   8   5.690  -0.477  -0.492
   65    HB3  CYS   8           1HB      CYS   8   5.312   1.230  -0.790
   66    H    SER   9           H        SER   9   8.249   1.218  -3.103
   67    HA   SER   9           HA       SER   9   9.178   3.187  -3.799
   68    HB2  SER   9           2HB      SER   9   8.393   4.612  -5.189
   69    HB3  SER   9           1HB      SER   9   7.590   3.073  -5.630
   70    HG   SER   9           HG       SER   9   5.708   4.007  -5.366
   71    H    PHE  10           H        PHE  10   5.975   4.057  -2.444
   72    HA   PHE  10           HA       PHE  10   6.792   6.284  -1.032
   73    HB2  PHE  10           1HB      PHE  10   4.539   4.732  -1.415
   74    HB3  PHE  10           2HB      PHE  10   4.672   4.876   0.206
   75    HD1  PHE  10           2HD      PHE  10   4.468   7.070   1.357
   76    HD2  PHE  10           1HD      PHE  10   3.604   6.349  -2.783
   77    HE1  PHE  10           2HE      PHE  10   2.881   8.980   1.354
   78    HE2  PHE  10           1HE      PHE  10   2.012   8.246  -2.787
   79    HZ   PHE  10           HZ       PHE  10   1.647   9.562  -0.718
   80    H    CYS  11           H        CYS  11   6.312   2.887   0.511
   81    HA   CYS  11           HA       CYS  11   7.714   4.023   2.788
   82    HB2  CYS  11           2HB      CYS  11   7.211   1.906   3.885
   83    HB3  CYS  11           1HB      CYS  11   5.750   2.655   3.214
   84    H    LYS  12           H        LYS  12   9.010   3.378  -0.064
   85    HA   LYS  12           HA       LYS  12  10.283   1.635  -1.104
   86    HB2  LYS  12           2HB      LYS  12  12.534   2.527  -0.685
   87    HB3  LYS  12           1HB      LYS  12  11.507   3.865  -0.297
   88    HG2  LYS  12           2HG      LYS  12  11.588   3.147   2.095
   89    HG3  LYS  12           1HG      LYS  12  12.840   1.967   1.591
   90    HD2  LYS  12           2HD      LYS  12  14.096   3.938   0.636
   91    HD3  LYS  12           1HD      LYS  12  12.941   4.971   1.544
   92    HE2  LYS  12           2HE      LYS  12  13.576   3.392   3.605
   93    HE3  LYS  12           1HE      LYS  12  14.989   2.977   2.670
   94    HZ1  LYS  12           3HZ      LYS  12  14.209   5.673   3.491
   95    HZ2  LYS  12           1HZ      LYS  12  15.410   4.707   4.164
   96    HZ3  LYS  12           2HZ      LYS  12  15.571   5.273   2.589
   97    H    ARG  13           H        ARG  13   8.938   0.336   1.270
   98    HA   ARG  13           HA       ARG  13  10.981  -1.526   2.166
   99    HB2  ARG  13           2HB      ARG  13   8.667  -0.432   3.290
  100    HB3  ARG  13           1HB      ARG  13   8.173  -2.075   2.880
  101    HG2  ARG  13           2HG      ARG  13  10.557  -2.649   3.942
  102    HG3  ARG  13           1HG      ARG  13  10.226  -1.115   4.807
  103    HD2  ARG  13           2HD      ARG  13   8.415  -3.543   4.757
  104    HD3  ARG  13           1HD      ARG  13   9.530  -3.092   6.087
  105    HE   ARG  13           HE       ARG  13   6.974  -1.870   5.391
  106   HH11  ARG  13          2HH2      ARG  13   9.904  -1.440   7.354
  107   HH12  ARG  13          1HH2      ARG  13   9.017  -0.554   8.624
  108   HH21  ARG  13          2HH1      ARG  13   5.926  -0.671   7.000
  109   HH22  ARG  13          1HH1      ARG  13   6.850  -0.131   8.428
  110    H    GLU  14           H        GLU  14  11.220  -3.534   1.646
  111    HA   GLU  14           HA       GLU  14   9.909  -4.644  -0.741
  112    HB2  GLU  14           2HB      GLU  14  12.138  -5.658   1.005
  113    HB3  GLU  14           1HB      GLU  14  11.469  -6.501  -0.432
  114    HG2  GLU  14           2HG      GLU  14  13.291  -5.473  -1.414
  115    HG3  GLU  14           1HG      GLU  14  12.129  -4.169  -1.602
  116    H    PHE  15           H        PHE  15   8.054  -5.675  -0.561
  117    HA   PHE  15           HA       PHE  15   7.506  -7.371   1.829
  118    HB2  PHE  15           1HB      PHE  15   5.677  -6.268  -0.207
  119    HB3  PHE  15           2HB      PHE  15   5.241  -7.089   1.135
  120    HD1  PHE  15           1HD      PHE  15   5.426  -6.119   3.386
  121    HD2  PHE  15           2HD      PHE  15   6.058  -3.873  -0.223
  122    HE1  PHE  15           1HE      PHE  15   4.898  -4.024   4.598
  123    HE2  PHE  15           2HE      PHE  15   5.342  -1.810   0.946
  124    HZ   PHE  15           HZ       PHE  15   5.000  -1.847   3.398
  125    H    ARG  16           H        ARG  16   6.875  -9.435   1.678
  126    HA   ARG  16           HA       ARG  16   7.462 -10.908  -0.762
  127    HB2  ARG  16           2HB      ARG  16   7.702 -11.335   2.034
  128    HB3  ARG  16           1HB      ARG  16   6.398 -12.421   1.544
  129    HG2  ARG  16           2HG      ARG  16   7.980 -13.225  -0.352
  130    HG3  ARG  16           1HG      ARG  16   9.257 -12.361   0.474
  131    HD2  ARG  16           2HD      ARG  16   9.449 -14.536   1.342
  132    HD3  ARG  16           1HD      ARG  16   8.513 -13.751   2.592
  133    HE   ARG  16           HE       ARG  16   6.787 -15.103   2.137
  134   HH11  ARG  16          2HH2      ARG  16   8.712 -15.080  -0.848
  135   HH12  ARG  16          1HH2      ARG  16   7.831 -16.477  -1.521
  136   HH21  ARG  16          2HH1      ARG  16   5.690 -16.863   1.212
  137   HH22  ARG  16          1HH1      ARG  16   6.183 -17.447  -0.400
  138    H    SER  17           H        SER  17   5.248  -9.310  -1.219
  139    HA   SER  17           HA       SER  17   3.138 -11.272  -1.844
  140    HB2  SER  17           2HB      SER  17   2.745  -9.079   0.161
  141    HB3  SER  17           1HB      SER  17   1.422  -9.637  -0.885
  142    HG   SER  17           HG       SER  17   2.989 -11.648   0.366
  143    H    ALA  18           H        ALA  18   1.337 -10.154  -3.064
  144    HA   ALA  18           HA       ALA  18   2.318  -7.834  -4.719
  145    HB1  ALA  18           1HB      ALA  18   1.092  -8.743  -6.543
  146    HB2  ALA  18           2HB      ALA  18   2.354  -9.860  -5.970
  147    HB3  ALA  18           3HB      ALA  18   0.647 -10.164  -5.567
  148    H    GLN  19           H        GLN  19  -0.893  -9.421  -4.139
  149    HA   GLN  19           HA       GLN  19  -2.378  -7.044  -4.274
  150    HB2  GLN  19           2HB      GLN  19  -2.884  -9.760  -3.030
  151    HB3  GLN  19           1HB      GLN  19  -4.109  -8.462  -3.037
  152    HG2  GLN  19           2HG      GLN  19  -4.258  -8.473  -5.442
  153    HG3  GLN  19           1HG      GLN  19  -2.717  -9.282  -5.632
  154   HE21  GLN  19          2HE2      GLN  19  -6.080  -9.647  -5.536
  155   HE22  GLN  19          1HE2      GLN  19  -6.120 -11.429  -5.464
  156    H    ALA  20           H        ALA  20  -1.048  -8.450  -1.253
  157    HA   ALA  20           HA       ALA  20  -1.983  -6.577   0.569
  158    HB1  ALA  20           1HB      ALA  20   0.023  -6.993   1.816
  159    HB2  ALA  20           2HB      ALA  20  -0.655  -8.504   1.163
  160    HB3  ALA  20           3HB      ALA  20   0.773  -7.766   0.399
  161    H    LEU  21           H        LEU  21   0.461  -6.047  -1.984
  162    HA   LEU  21           HA       LEU  21   1.458  -3.483  -0.916
  163    HB2  LEU  21           2HB      LEU  21   2.027  -5.107  -3.360
  164    HB3  LEU  21           1HB      LEU  21   2.624  -3.439  -3.091
  165    HG   LEU  21           HG       LEU  21   3.641  -4.289  -0.946
  166   HD11  LEU  21          1HD1      LEU  21   4.095  -6.694  -0.777
  167   HD12  LEU  21          2HD1      LEU  21   2.354  -6.340  -0.681
  168   HD13  LEU  21          3HD1      LEU  21   3.048  -6.990  -2.185
  169   HD21  LEU  21          3HD2      LEU  21   4.921  -3.852  -3.027
  170   HD22  LEU  21          1HD2      LEU  21   5.580  -5.271  -2.177
  171   HD23  LEU  21          2HD2      LEU  21   4.544  -5.492  -3.608
  172    H    GLY  22           H        GLY  22  -0.439  -4.547  -3.886
  173    HA2  GLY  22           2HA      GLY  22  -1.065  -2.078  -4.910
  174    HA3  GLY  22           1HA      GLY  22  -2.182  -3.443  -4.902
  175    H    GLY  23           H        GLY  23  -2.983  -3.830  -2.371
  176    HA2  GLY  23           2HA      GLY  23  -4.720  -1.685  -1.609
  177    HA3  GLY  23           1HA      GLY  23  -4.309  -3.060  -0.636
  178    H    HIS  24           H        HIS  24  -1.434  -2.589  -0.383
  179    HA   HIS  24           HA       HIS  24  -1.637  -0.906   1.878
  180    HB2  HIS  24           2HB      HIS  24  -0.268  -2.711   2.108
  181    HB3  HIS  24           1HB      HIS  24   0.585  -2.394   0.564
  182    HD1  HIS  24           1HD      HIS  24   1.180  -2.306   3.945
  183    HD2  HIS  24           2HD      HIS  24   1.897   0.408   0.870
  184    HE1  HIS  24           1HE      HIS  24   3.073  -0.703   4.807
  185    H    MET  25           H        MET  25  -0.107  -0.528  -1.387
  186    HA   MET  25           HA       MET  25   0.885   2.099  -1.134
  187    HB2  MET  25           2HB      MET  25   1.096   0.216  -2.994
  188    HB3  MET  25           1HB      MET  25  -0.200   1.171  -3.732
  189    HG2  MET  25           2HG      MET  25   1.133   3.196  -3.559
  190    HG3  MET  25           1HG      MET  25   2.426   2.294  -2.706
  191    HE1  MET  25           3HE      MET  25   1.319   3.784  -5.904
  192    HE2  MET  25           1HE      MET  25   1.667   2.601  -7.187
  193    HE3  MET  25           2HE      MET  25   0.325   2.316  -6.054
  194    H    ASN  26           H        ASN  26  -2.405   0.977  -2.257
  195    HA   ASN  26           HA       ASN  26  -3.547   3.538  -2.529
  196    HB2  ASN  26           2HB      ASN  26  -4.554   1.168  -3.093
  197    HB3  ASN  26           1HB      ASN  26  -5.083   1.150  -1.428
  198   HD21  ASN  26          2HD2      ASN  26  -6.513   2.894  -0.666
  199   HD22  ASN  26          1HD2      ASN  26  -7.593   3.662  -1.859
  200    H    VAL  27           H        VAL  27  -3.082   1.697   0.581
  201    HA   VAL  27           HA       VAL  27  -4.480   3.578   2.131
  202    HB   VAL  27           HB       VAL  27  -3.721   1.248   2.658
  203   HG11  VAL  27          1HG1      VAL  27  -2.046   1.152   4.432
  204   HG12  VAL  27          2HG1      VAL  27  -1.306   1.585   2.872
  205   HG13  VAL  27          3HG1      VAL  27  -1.583   2.839   4.104
  206   HG21  VAL  27          3HG2      VAL  27  -5.376   2.534   3.777
  207   HG22  VAL  27          1HG2      VAL  27  -4.305   1.760   4.970
  208   HG23  VAL  27          2HG2      VAL  27  -4.133   3.495   4.613
  209    H    HIS  28           H        HIS  28  -1.319   3.984   0.635
  210    HA   HIS  28           HA       HIS  28  -0.093   5.752   2.335
  211    HB2  HIS  28           2HB      HIS  28   0.031   5.457  -0.637
  212    HB3  HIS  28           1HB      HIS  28   1.078   6.563   0.308
  213    HD1  HIS  28           1HD      HIS  28   1.231   4.430   2.679
  214    HD2  HIS  28           2HD      HIS  28   2.262   3.862  -1.315
  215    HE1  HIS  28           1HE      HIS  28   2.958   2.453   2.639
  216    H    ARG  29           H        ARG  29  -1.618   7.256   3.267
  217    HA   ARG  29           HA       ARG  29  -2.644   9.267   3.500
  218    HB2  ARG  29           2HB      ARG  29  -0.293   9.920   2.708
  219    HB3  ARG  29           1HB      ARG  29  -1.009  10.131   1.080
  220    HG2  ARG  29           2HG      ARG  29  -2.662  11.630   2.782
  221    HG3  ARG  29           1HG      ARG  29  -1.019  11.947   3.366
  222    HD2  ARG  29           2HD      ARG  29  -0.317  12.522   1.020
  223    HD3  ARG  29           1HD      ARG  29  -1.959  12.239   0.463
  224    HE   ARG  29           HE       ARG  29  -0.935  14.527   1.799
  225   HH11  ARG  29          2HH2      ARG  29  -3.980  12.840   1.068
  226   HH12  ARG  29          1HH2      ARG  29  -4.958  14.269   1.499
  227   HH21  ARG  29          2HH1      ARG  29  -2.214  16.302   2.283
  228   HH22  ARG  29          1HH1      ARG  29  -3.989  16.168   2.161
  229    H    ARG  30           H        ARG  30  -4.250   7.475   2.362
  230    HA   ARG  30           HA       ARG  30  -5.870   9.140   0.537
  231    HB2  ARG  30           2HB      ARG  30  -4.418   6.919  -0.339
  232    HB3  ARG  30           1HB      ARG  30  -5.971   6.199   0.065
  233    HG2  ARG  30           2HG      ARG  30  -6.848   8.378  -1.299
  234    HG3  ARG  30           1HG      ARG  30  -5.285   8.144  -2.082
  235    HD2  ARG  30           2HD      ARG  30  -5.899   5.728  -2.497
  236    HD3  ARG  30           1HD      ARG  30  -7.481   6.034  -1.802
  237    HE   ARG  30           HE       ARG  30  -6.685   6.531  -4.401
  238   HH11  ARG  30          2HH2      ARG  30  -8.636   8.217  -1.939
  239   HH12  ARG  30          1HH2      ARG  30  -9.532   9.136  -3.178
  240   HH21  ARG  30          2HH1      ARG  30  -7.845   7.741  -5.904
  241   HH22  ARG  30          1HH1      ARG  30  -9.102   8.875  -5.340
  242    H    ASP  31           H        ASP  31  -8.068   8.485   0.425
  243    HA   ASP  31           HA       ASP  31 -10.173   7.922   1.219
  244    HB2  ASP  31           2HB      ASP  31  -9.298   5.597   1.385
  245    HB3  ASP  31           1HB      ASP  31  -8.854   5.896   3.028
  246    H    ARG  32           H        ARG  32 -10.604   9.989   1.959
  247    HA   ARG  32           HA       ARG  32 -10.476  10.352   4.933
  248    HB2  ARG  32           2HB      ARG  32 -10.161  12.518   2.805
  249    HB3  ARG  32           1HB      ARG  32 -10.383  12.807   4.507
  250    HG2  ARG  32           2HG      ARG  32  -8.245  11.221   4.725
  251    HG3  ARG  32           1HG      ARG  32  -7.987  11.760   3.068
  252    HD2  ARG  32           2HD      ARG  32  -6.862  13.317   4.425
  253    HD3  ARG  32           1HD      ARG  32  -8.367  14.137   3.925
  254    HE   ARG  32           HE       ARG  32  -8.556  12.636   6.407
  255   HH11  ARG  32          2HH2      ARG  32  -8.098  15.889   5.054
  256   HH12  ARG  32          1HH2      ARG  32  -8.323  16.665   6.645
  257   HH21  ARG  32          2HH1      ARG  32  -8.915  13.675   8.368
  258   HH22  ARG  32          1HH1      ARG  32  -8.775  15.451   8.461
  259    H    ALA  33           H        ALA  33 -12.310   9.365   5.308
  260    HA   ALA  33           HA       ALA  33 -14.770  10.843   4.609
  261    HB1  ALA  33           1HB      ALA  33 -15.946   8.700   4.260
  262    HB2  ALA  33           2HB      ALA  33 -14.654   8.922   3.057
  263    HB3  ALA  33           3HB      ALA  33 -14.408   7.822   4.434
  264    H    ARG  34           H        ARG  34 -16.343  10.787   6.279
  265    HA   ARG  34           HA       ARG  34 -15.674   9.239   8.703
  266    HB2  ARG  34           2HB      ARG  34 -15.011  11.901   8.586
  267    HB3  ARG  34           1HB      ARG  34 -16.697  12.087   9.008
  268    HG2  ARG  34           2HG      ARG  34 -14.817  10.307  10.629
  269    HG3  ARG  34           1HG      ARG  34 -15.081  11.984  10.984
  270    HD2  ARG  34           2HD      ARG  34 -17.350  11.636  11.535
  271    HD3  ARG  34           1HD      ARG  34 -17.362  10.020  10.808
  272    HE   ARG  34           HE       ARG  34 -16.443   9.184  12.695
  273   HH11  ARG  34          2HH2      ARG  34 -16.012  12.705  12.936
  274   HH12  ARG  34          1HH2      ARG  34 -15.265  12.577  14.551
  275   HH21  ARG  34          2HH1      ARG  34 -15.524   9.085  14.737
  276   HH22  ARG  34          1HH1      ARG  34 -15.000  10.590  15.540
  277    H    LEU  35           H        LEU  35 -17.221   7.769   8.373
  278    HA   LEU  35           HA       LEU  35 -19.226   6.755   8.207
  279    HB2  LEU  35           2HB      LEU  35 -19.855   9.013  10.079
  280    HB3  LEU  35           1HB      LEU  35 -21.097   7.880   9.599
  281    HG   LEU  35           HG       LEU  35 -18.596   6.549  10.352
  282   HD11  LEU  35          1HD1      LEU  35 -18.842   7.023  12.754
  283   HD12  LEU  35          2HD1      LEU  35 -18.434   8.498  11.846
  284   HD13  LEU  35          3HD1      LEU  35 -20.105   8.223  12.393
  285   HD21  LEU  35          3HD2      LEU  35 -20.777   5.418  10.017
  286   HD22  LEU  35          1HD2      LEU  35 -20.209   5.236  11.694
  287   HD23  LEU  35          2HD2      LEU  35 -21.489   6.411  11.311
  288    H    ARG  36           H        ARG  36 -19.934   6.580   6.142
  289    HA   ARG  36           HA       ARG  36 -21.010   8.679   4.533
  290    HB2  ARG  36           2HB      ARG  36 -21.149   5.640   4.401
  291    HB3  ARG  36           1HB      ARG  36 -22.011   6.644   3.255
  292    HG2  ARG  36           2HG      ARG  36 -19.847   7.775   2.695
  293    HG3  ARG  36           1HG      ARG  36 -19.029   6.594   3.746
  294    HD2  ARG  36           2HD      ARG  36 -19.744   4.747   2.380
  295    HD3  ARG  36           1HD      ARG  36 -20.890   5.764   1.483
  296    HE   ARG  36           HE       ARG  36 -18.202   6.744   1.287
  297   HH11  ARG  36          2HH2      ARG  36 -20.438   4.383  -0.147
  298   HH12  ARG  36          1HH2      ARG  36 -19.503   4.296  -1.664
  299   HH21  ARG  36          2HH1      ARG  36 -17.088   6.635  -0.684
  300   HH22  ARG  36          1HH1      ARG  36 -17.671   5.530  -1.958
  301    H    LEU  37           H        LEU  37 -22.896   6.144   6.228
  302    HA   LEU  37           HA       LEU  37 -25.138   8.100   6.576
  303    HB2  LEU  37           2HB      LEU  37 -25.132   6.075   4.586
  304    HB3  LEU  37           1HB      LEU  37 -26.169   5.509   5.867
  305    HG   LEU  37           HG       LEU  37 -26.420   8.320   4.759
  306   HD11  LEU  37          1HD1      LEU  37 -28.181   7.411   3.329
  307   HD12  LEU  37          2HD1      LEU  37 -26.604   6.690   2.925
  308   HD13  LEU  37          3HD1      LEU  37 -27.791   5.761   3.872
  309   HD21  LEU  37          3HD2      LEU  37 -27.497   7.884   6.936
  310   HD22  LEU  37          1HD2      LEU  37 -28.686   8.123   5.633
  311   HD23  LEU  37          2HD2      LEU  37 -28.337   6.483   6.230
  312    HN1  NH2  38           3HN      NH2  38 -23.194   7.060   7.159
  313    HN2  NH2  38           2HN      NH2  38 -24.395   8.289   7.377
  Start of MODEL   16
    1    H1   ACE   0           2H1      ACE   0  12.885  -5.100  -8.555
    2    H2   ACE   0           3H1      ACE   0  12.584  -4.231 -10.079
    3    H3   ACE   0           1H1      ACE   0  12.087  -3.509  -8.530
    4    H    TRP   1           H        TRP   1  10.404  -4.477  -7.326
    5    HA   TRP   1           HA       TRP   1   8.255  -5.368  -7.170
    6    HB2  TRP   1           2HB      TRP   1   8.427  -5.210 -10.189
    7    HB3  TRP   1           1HB      TRP   1   6.951  -5.595  -9.248
    8    HD1  TRP   1           HD       TRP   1   8.276  -3.150  -7.210
    9    HE1  TRP   1           1HE      TRP   1   7.334  -0.702  -7.716
   10    HE3  TRP   1           3HE      TRP   1   6.204  -4.088 -11.669
   11    HZ2  TRP   1           2HZ      TRP   1   5.910   0.485  -9.864
   12    HZ3  TRP   1           3HZ      TRP   1   5.620  -2.330 -13.141
   13    HH2  TRP   1           HH       TRP   1   5.292   0.052 -12.250
   14    HA   PRO   2           HA       PRO   2   9.974  -9.611  -7.393
   15    HB2  PRO   2           2HB      PRO   2   9.182 -10.333  -4.939
   16    HB3  PRO   2           1HB      PRO   2  10.595  -9.301  -5.159
   17    HG2  PRO   2           2HG      PRO   2   7.744  -8.473  -4.430
   18    HG3  PRO   2           1HG      PRO   2   9.250  -7.966  -3.671
   19    HD2  PRO   2           1HD      PRO   2   8.023  -6.444  -5.684
   20    HD3  PRO   2           2HD      PRO   2   9.837  -6.511  -5.535
   21    HA   PRO   3           HA       PRO   3   6.262 -11.788  -8.599
   22    HB2  PRO   3           2HB      PRO   3   6.883 -14.352  -7.967
   23    HB3  PRO   3           1HB      PRO   3   7.601 -13.534  -9.352
   24    HG2  PRO   3           2HG      PRO   3   8.778 -13.898  -6.552
   25    HG3  PRO   3           1HG      PRO   3   9.562 -14.182  -8.104
   26    HD2  PRO   3           1HD      PRO   3   9.884 -11.748  -6.753
   27    HD3  PRO   3           2HD      PRO   3   9.727 -11.757  -8.576
   28    H    ARG   4           H        ARG   4   4.411 -12.791  -7.791
   29    HA   ARG   4           HA       ARG   4   2.633 -12.669  -6.315
   30    HB2  ARG   4           2HB      ARG   4   4.730 -14.346  -4.957
   31    HB3  ARG   4           1HB      ARG   4   3.189 -13.975  -4.142
   32    HG2  ARG   4           2HG      ARG   4   2.008 -14.815  -6.282
   33    HG3  ARG   4           1HG      ARG   4   3.567 -15.408  -6.824
   34    HD2  ARG   4           2HD      ARG   4   3.728 -16.960  -5.097
   35    HD3  ARG   4           1HD      ARG   4   2.438 -16.154  -4.142
   36    HE   ARG   4           HE       ARG   4   0.832 -17.136  -5.480
   37   HH11  ARG   4          2HH2      ARG   4   3.987 -18.029  -6.833
   38   HH12  ARG   4          1HH2      ARG   4   3.248 -19.032  -8.110
   39   HH21  ARG   4          2HH1      ARG   4  -0.053 -18.447  -7.081
   40   HH22  ARG   4          1HH1      ARG   4   1.025 -19.264  -8.244
   41    H    SER   5           H        SER   5   4.273 -10.299  -6.243
   42    HA   SER   5           HA       SER   5   3.187  -9.106  -3.848
   43    HB2  SER   5           2HB      SER   5   5.347 -10.139  -3.021
   44    HB3  SER   5           1HB      SER   5   6.223  -9.242  -4.263
   45    HG   SER   5           HG       SER   5   5.636  -8.439  -1.848
   46    H    TYR   6           H        TYR   6   2.907  -7.022  -4.123
   47    HA   TYR   6           HA       TYR   6   4.399  -5.399  -6.171
   48    HB2  TYR   6           1HB      TYR   6   1.519  -5.890  -6.417
   49    HB3  TYR   6           2HB      TYR   6   2.270  -4.589  -7.055
   50    HD1  TYR   6           2HD      TYR   6   4.302  -5.026  -8.655
   51    HD2  TYR   6           1HD      TYR   6   1.258  -7.880  -7.636
   52    HE1  TYR   6           2HE      TYR   6   4.892  -6.344 -10.643
   53    HE2  TYR   6           1HE      TYR   6   1.791  -9.177  -9.674
   54    HH   TYR   6           HH       TYR   6   4.184  -9.315 -11.441
   55    H    THR   7           H        THR   7   3.723  -3.227  -6.277
   56    HA   THR   7           HA       THR   7   3.806  -2.120  -3.560
   57    HB   THR   7           HB       THR   7   4.450  -0.711  -6.234
   58    HG1  THR   7           1HG      THR   7   6.066  -2.644  -4.856
   59   HG21  THR   7          3HG2      THR   7   5.703  -0.504  -3.485
   60   HG22  THR   7          1HG2      THR   7   6.124   0.456  -4.924
   61   HG23  THR   7          2HG2      THR   7   4.519   0.631  -4.176
   62    H    CYS   8           H        CYS   8   2.506  -0.047  -3.167
   63    HA   CYS   8           HA       CYS   8  -0.019  -0.206  -4.632
   64    HB2  CYS   8           2HB      CYS   8   0.488  -0.089  -1.937
   65    HB3  CYS   8           1HB      CYS   8   0.081   1.592  -2.333
   66    H    SER   9           H        SER   9   2.914   1.447  -4.698
   67    HA   SER   9           HA       SER   9   3.816   3.363  -5.549
   68    HB2  SER   9           2HB      SER   9   3.003   4.663  -7.049
   69    HB3  SER   9           1HB      SER   9   2.223   3.079  -7.361
   70    HG   SER   9           HG       SER   9   0.318   3.985  -7.132
   71    H    PHE  10           H        PHE  10   0.612   4.271  -4.250
   72    HA   PHE  10           HA       PHE  10   1.349   6.612  -3.032
   73    HB2  PHE  10           1HB      PHE  10  -0.821   4.882  -3.241
   74    HB3  PHE  10           2HB      PHE  10  -0.704   5.236  -1.651
   75    HD1  PHE  10           2HD      PHE  10  -0.709   7.725  -0.931
   76    HD2  PHE  10           1HD      PHE  10  -2.204   6.070  -4.595
   77    HE1  PHE  10           2HE      PHE  10  -2.222   9.662  -1.200
   78    HE2  PHE  10           1HE      PHE  10  -3.811   7.944  -4.795
   79    HZ   PHE  10           HZ       PHE  10  -3.837   9.739  -3.077
   80    H    CYS  11           H        CYS  11   1.195   3.304  -1.307
   81    HA   CYS  11           HA       CYS  11   2.617   4.698   0.850
   82    HB2  CYS  11           2HB      CYS  11   2.030   2.819   2.255
   83    HB3  CYS  11           1HB      CYS  11   0.578   3.512   1.505
   84    H    LYS  12           H        LYS  12   3.755   3.668  -1.928
   85    HA   LYS  12           HA       LYS  12   4.920   1.728  -2.781
   86    HB2  LYS  12           2HB      LYS  12   7.250   2.524  -2.462
   87    HB3  LYS  12           1HB      LYS  12   6.273   3.950  -2.409
   88    HG2  LYS  12           2HG      LYS  12   6.380   3.958   0.071
   89    HG3  LYS  12           1HG      LYS  12   7.317   2.495   0.048
   90    HD2  LYS  12           2HD      LYS  12   8.795   3.956  -1.636
   91    HD3  LYS  12           1HD      LYS  12   8.069   5.244  -0.624
   92    HE2  LYS  12           2HE      LYS  12   8.757   3.861   1.438
   93    HE3  LYS  12           1HE      LYS  12   9.644   2.792   0.368
   94    HZ1  LYS  12           3HZ      LYS  12  10.110   5.668   0.695
   95    HZ2  LYS  12           1HZ      LYS  12  11.029   4.413   1.333
   96    HZ3  LYS  12           2HZ      LYS  12  10.960   4.642  -0.332
   97    H    ARG  13           H        ARG  13   3.549   0.697  -0.393
   98    HA   ARG  13           HA       ARG  13   5.558  -1.098   0.655
   99    HB2  ARG  13           2HB      ARG  13   3.835   0.275   1.971
  100    HB3  ARG  13           1HB      ARG  13   2.587  -0.827   1.302
  101    HG2  ARG  13           2HG      ARG  13   3.083  -2.465   2.814
  102    HG3  ARG  13           1HG      ARG  13   4.816  -2.204   2.694
  103    HD2  ARG  13           2HD      ARG  13   4.141  -1.587   4.963
  104    HD3  ARG  13           1HD      ARG  13   4.503  -0.099   4.157
  105    HE   ARG  13           HE       ARG  13   1.733  -0.856   4.025
  106   HH11  ARG  13          2HH2      ARG  13   4.197   1.137   5.617
  107   HH12  ARG  13          1HH2      ARG  13   2.984   2.019   6.583
  108   HH21  ARG  13          2HH1      ARG  13   0.225   0.357   5.224
  109   HH22  ARG  13          1HH1      ARG  13   0.814   1.595   6.366
  110    H    GLU  14           H        GLU  14   5.639  -3.219   0.458
  111    HA   GLU  14           HA       GLU  14   4.353  -4.409  -1.862
  112    HB2  GLU  14           2HB      GLU  14   6.666  -5.089  -0.184
  113    HB3  GLU  14           1HB      GLU  14   5.859  -6.349  -1.159
  114    HG2  GLU  14           2HG      GLU  14   6.656  -5.426  -3.143
  115    HG3  GLU  14           1HG      GLU  14   6.200  -3.808  -2.664
  116    H    PHE  15           H        PHE  15   2.671  -5.453  -1.910
  117    HA   PHE  15           HA       PHE  15   1.506  -6.868   0.419
  118    HB2  PHE  15           1HB      PHE  15   0.454  -5.474  -1.933
  119    HB3  PHE  15           2HB      PHE  15  -0.422  -6.724  -1.353
  120    HD1  PHE  15           2HD      PHE  15   1.077  -3.511  -0.322
  121    HD2  PHE  15           1HD      PHE  15  -1.942  -6.494   0.358
  122    HE1  PHE  15           2HE      PHE  15   0.161  -2.170   1.553
  123    HE2  PHE  15           1HE      PHE  15  -2.802  -5.193   2.280
  124    HZ   PHE  15           HZ       PHE  15  -1.585  -3.158   3.025
  125    H    ARG  16           H        ARG  16   0.453  -8.911   0.032
  126    HA   ARG  16           HA       ARG  16   1.720 -10.500  -2.132
  127    HB2  ARG  16           2HB      ARG  16   1.721 -10.830   0.686
  128    HB3  ARG  16           1HB      ARG  16   0.521 -11.992   0.122
  129    HG2  ARG  16           2HG      ARG  16   2.616 -13.172   0.073
  130    HG3  ARG  16           1HG      ARG  16   2.316 -12.767  -1.601
  131    HD2  ARG  16           2HD      ARG  16   4.545 -12.195  -1.317
  132    HD3  ARG  16           1HD      ARG  16   3.745 -10.631  -1.110
  133    HE   ARG  16           HE       ARG  16   5.008 -12.282   0.935
  134   HH11  ARG  16          2HH2      ARG  16   3.161  -9.295   0.334
  135   HH12  ARG  16          1HH2      ARG  16   3.582  -8.630   1.935
  136   HH21  ARG  16          2HH1      ARG  16   5.460 -11.413   2.947
  137   HH22  ARG  16          1HH1      ARG  16   4.843  -9.793   3.369
  138    H    SER  17           H        SER  17  -0.542  -9.011  -2.820
  139    HA   SER  17           HA       SER  17  -2.449 -10.983  -3.801
  140    HB2  SER  17           2HB      SER  17  -4.395 -10.134  -2.546
  141    HB3  SER  17           1HB      SER  17  -3.278 -11.077  -1.558
  142    HG   SER  17           HG       SER  17  -3.415  -9.390  -0.278
  143    H    ALA  18           H        ALA  18  -3.454 -10.309  -5.500
  144    HA   ALA  18           HA       ALA  18  -3.082  -7.726  -6.700
  145    HB1  ALA  18           1HB      ALA  18  -4.566  -8.536  -8.373
  146    HB2  ALA  18           2HB      ALA  18  -3.331  -9.749  -7.958
  147    HB3  ALA  18           3HB      ALA  18  -4.996  -9.933  -7.357
  148    H    GLN  19           H        GLN  19  -6.192  -9.151  -5.520
  149    HA   GLN  19           HA       GLN  19  -7.631  -6.695  -5.682
  150    HB2  GLN  19           2HB      GLN  19  -8.098  -9.434  -4.517
  151    HB3  GLN  19           1HB      GLN  19  -9.153  -8.110  -4.014
  152    HG2  GLN  19           2HG      GLN  19  -8.802  -8.034  -6.909
  153    HG3  GLN  19           1HG      GLN  19  -9.338  -9.633  -6.407
  154   HE21  GLN  19          2HE2      GLN  19 -10.624  -7.167  -7.762
  155   HE22  GLN  19          1HE2      GLN  19 -12.149  -6.969  -6.858
  156    H    ALA  20           H        ALA  20  -6.300  -8.185  -2.655
  157    HA   ALA  20           HA       ALA  20  -6.995  -5.928  -1.108
  158    HB1  ALA  20           1HB      ALA  20  -5.567  -6.917   0.583
  159    HB2  ALA  20           2HB      ALA  20  -6.725  -8.063  -0.134
  160    HB3  ALA  20           3HB      ALA  20  -5.010  -8.117  -0.608
  161    H    LEU  21           H        LEU  21  -4.466  -6.061  -3.491
  162    HA   LEU  21           HA       LEU  21  -3.186  -3.683  -2.378
  163    HB2  LEU  21           2HB      LEU  21  -2.235  -5.707  -3.760
  164    HB3  LEU  21           1HB      LEU  21  -2.842  -4.753  -5.150
  165    HG   LEU  21           HG       LEU  21  -1.046  -3.414  -3.110
  166   HD11  LEU  21          1HD1      LEU  21   0.853  -4.221  -4.473
  167   HD12  LEU  21          2HD1      LEU  21  -0.017  -5.603  -3.765
  168   HD13  LEU  21          3HD1      LEU  21  -0.260  -5.180  -5.477
  169   HD21  LEU  21          3HD2      LEU  21  -2.120  -2.052  -4.848
  170   HD22  LEU  21          1HD2      LEU  21  -0.351  -2.127  -5.023
  171   HD23  LEU  21          2HD2      LEU  21  -1.392  -3.093  -6.095
  172    H    GLY  22           H        GLY  22  -5.114  -4.466  -5.441
  173    HA2  GLY  22           2HA      GLY  22  -5.536  -1.853  -6.352
  174    HA3  GLY  22           1HA      GLY  22  -6.648  -3.178  -6.588
  175    H    GLY  23           H        GLY  23  -7.677  -3.750  -4.107
  176    HA2  GLY  23           2HA      GLY  23  -9.494  -1.655  -3.438
  177    HA3  GLY  23           1HA      GLY  23  -9.161  -3.087  -2.499
  178    H    HIS  24           H        HIS  24  -6.310  -2.623  -1.943
  179    HA   HIS  24           HA       HIS  24  -6.624  -0.932   0.288
  180    HB2  HIS  24           2HB      HIS  24  -5.179  -2.705   0.498
  181    HB3  HIS  24           1HB      HIS  24  -4.275  -2.265  -0.985
  182    HD1  HIS  24           1HD      HIS  24  -3.930  -2.229   2.460
  183    HD2  HIS  24           2HD      HIS  24  -3.088   0.540  -0.533
  184    HE1  HIS  24           1HE      HIS  24  -2.172  -0.562   3.473
  185    H    MET  25           H        MET  25  -5.024  -0.473  -2.928
  186    HA   MET  25           HA       MET  25  -4.214   2.207  -2.715
  187    HB2  MET  25           2HB      MET  25  -3.926   0.308  -4.560
  188    HB3  MET  25           1HB      MET  25  -5.296   1.141  -5.285
  189    HG2  MET  25           2HG      MET  25  -4.052   3.267  -5.321
  190    HG3  MET  25           1HG      MET  25  -2.738   2.576  -4.409
  191    HE1  MET  25           3HE      MET  25  -3.291   4.000  -7.473
  192    HE2  MET  25           1HE      MET  25  -3.115   2.820  -8.794
  193    HE3  MET  25           2HE      MET  25  -4.577   2.808  -7.779
  194    H    ASN  26           H        ASN  26  -7.440   0.936  -3.764
  195    HA   ASN  26           HA       ASN  26  -8.637   3.471  -4.150
  196    HB2  ASN  26           2HB      ASN  26  -9.483   1.087  -4.835
  197    HB3  ASN  26           1HB      ASN  26 -10.087   0.954  -3.192
  198   HD21  ASN  26          2HD2      ASN  26 -10.346   2.660  -6.262
  199   HD22  ASN  26          1HD2      ASN  26 -11.948   3.377  -5.941
  200    H    VAL  27           H        VAL  27  -8.430   1.560  -1.090
  201    HA   VAL  27           HA       VAL  27  -9.862   3.386   0.469
  202    HB   VAL  27           HB       VAL  27  -9.200   1.011   0.892
  203   HG11  VAL  27          1HG1      VAL  27  -7.523   0.706   2.641
  204   HG12  VAL  27          2HG1      VAL  27  -6.770   1.216   1.111
  205   HG13  VAL  27          3HG1      VAL  27  -6.982   2.389   2.433
  206   HG21  VAL  27          3HG2      VAL  27 -10.796   2.254   2.105
  207   HG22  VAL  27          1HG2      VAL  27  -9.753   1.348   3.227
  208   HG23  VAL  27          2HG2      VAL  27  -9.521   3.100   3.014
  209    H    HIS  28           H        HIS  28  -6.643   3.900  -0.867
  210    HA   HIS  28           HA       HIS  28  -5.566   5.650   0.925
  211    HB2  HIS  28           2HB      HIS  28  -5.425   5.533  -2.053
  212    HB3  HIS  28           1HB      HIS  28  -4.493   6.701  -1.065
  213    HD1  HIS  28           1HD      HIS  28  -4.078   4.538   1.222
  214    HD2  HIS  28           2HD      HIS  28  -3.079   4.170  -2.802
  215    HE1  HIS  28           1HE      HIS  28  -2.165   2.741   1.101
  216    H    ARG  29           H        ARG  29  -5.331   8.078   0.627
  217    HA   ARG  29           HA       ARG  29  -7.306   9.814  -0.504
  218    HB2  ARG  29           2HB      ARG  29  -8.399  10.526   1.672
  219    HB3  ARG  29           1HB      ARG  29  -8.977   9.004   1.077
  220    HG2  ARG  29           2HG      ARG  29  -7.910   7.780   2.786
  221    HG3  ARG  29           1HG      ARG  29  -6.736   9.024   3.110
  222    HD2  ARG  29           2HD      ARG  29  -8.264   9.123   4.907
  223    HD3  ARG  29           1HD      ARG  29  -8.719  10.481   3.910
  224    HE   ARG  29           HE       ARG  29 -10.194   8.186   3.155
  225   HH11  ARG  29          2HH2      ARG  29 -10.028  10.877   5.442
  226   HH12  ARG  29          1HH2      ARG  29 -11.693  10.625   6.030
  227   HH21  ARG  29          2HH1      ARG  29 -12.365   7.931   3.891
  228   HH22  ARG  29          1HH1      ARG  29 -12.978   9.006   5.176
  229    H    ARG  30           H        ARG  30  -6.127  11.530  -0.833
  230    HA   ARG  30           HA       ARG  30  -4.663  13.257  -0.581
  231    HB2  ARG  30           2HB      ARG  30  -6.058  13.037   1.928
  232    HB3  ARG  30           1HB      ARG  30  -4.378  13.298   2.333
  233    HG2  ARG  30           2HG      ARG  30  -4.339  15.301   0.855
  234    HG3  ARG  30           1HG      ARG  30  -6.043  15.044   0.488
  235    HD2  ARG  30           2HD      ARG  30  -5.923  16.670   2.260
  236    HD3  ARG  30           1HD      ARG  30  -6.511  15.171   2.988
  237    HE   ARG  30           HE       ARG  30  -3.696  15.219   3.154
  238   HH11  ARG  30          2HH2      ARG  30  -6.582  16.385   4.833
  239   HH12  ARG  30          1HH2      ARG  30  -5.646  16.900   6.261
  240   HH21  ARG  30          2HH1      ARG  30  -2.564  15.807   5.002
  241   HH22  ARG  30          1HH1      ARG  30  -3.435  16.575   6.357
  242    H    ASP  31           H        ASP  31  -2.538  14.022   0.321
  243    HA   ASP  31           HA       ASP  31  -0.677  11.692   0.434
  244    HB2  ASP  31           2HB      ASP  31  -0.307  14.506  -0.652
  245    HB3  ASP  31           1HB      ASP  31   1.030  13.424  -0.330
  246    H    ARG  32           H        ARG  32   0.360  11.322   2.220
  247    HA   ARG  32           HA       ARG  32   1.478  13.362   3.989
  248    HB2  ARG  32           2HB      ARG  32   0.500  12.376   5.994
  249    HB3  ARG  32           1HB      ARG  32  -0.676  13.302   5.000
  250    HG2  ARG  32           2HG      ARG  32  -2.009  11.499   4.707
  251    HG3  ARG  32           1HG      ARG  32  -0.647  10.390   4.487
  252    HD2  ARG  32           2HD      ARG  32  -0.416  10.027   6.844
  253    HD3  ARG  32           1HD      ARG  32  -1.221  11.513   7.264
  254    HE   ARG  32           HE       ARG  32  -3.101  10.390   7.375
  255   HH11  ARG  32          2HH2      ARG  32  -1.125   8.382   5.198
  256   HH12  ARG  32          1HH2      ARG  32  -2.436   7.186   5.011
  257   HH21  ARG  32          2HH1      ARG  32  -4.689   8.854   7.114
  258   HH22  ARG  32          1HH1      ARG  32  -4.387   7.443   6.064
  259    H    ALA  33           H        ALA  33   3.001  12.558   5.388
  260    HA   ALA  33           HA       ALA  33   4.527  10.261   4.652
  261    HB1  ALA  33           1HB      ALA  33   5.670  10.744   6.781
  262    HB2  ALA  33           2HB      ALA  33   5.408  12.228   5.834
  263    HB3  ALA  33           3HB      ALA  33   4.365  11.868   7.230
  264    H    ARG  34           H        ARG  34   5.023   8.541   6.549
  265    HA   ARG  34           HA       ARG  34   2.640   7.047   7.069
  266    HB2  ARG  34           2HB      ARG  34   5.171   6.318   6.803
  267    HB3  ARG  34           1HB      ARG  34   5.256   6.656   8.548
  268    HG2  ARG  34           2HG      ARG  34   3.072   5.158   8.675
  269    HG3  ARG  34           1HG      ARG  34   3.586   4.564   7.101
  270    HD2  ARG  34           2HD      ARG  34   5.715   3.867   7.998
  271    HD3  ARG  34           1HD      ARG  34   5.295   4.571   9.592
  272    HE   ARG  34           HE       ARG  34   3.207   2.852   8.826
  273   HH11  ARG  34          2HH2      ARG  34   6.565   2.544   9.938
  274   HH12  ARG  34          1HH2      ARG  34   6.297   0.888  10.543
  275   HH21  ARG  34          2HH1      ARG  34   2.939   0.729   9.549
  276   HH22  ARG  34          1HH1      ARG  34   4.307  -0.108  10.330
  277    H    LEU  35           H        LEU  35   3.930   6.648  10.048
  278    HA   LEU  35           HA       LEU  35   3.035   7.017  12.161
  279    HB2  LEU  35           2HB      LEU  35   3.489   9.638  11.077
  280    HB3  LEU  35           1HB      LEU  35   2.120   9.638  12.139
  281    HG   LEU  35           HG       LEU  35   4.704   8.303  12.932
  282   HD11  LEU  35          1HD1      LEU  35   5.241  10.443  14.030
  283   HD12  LEU  35          2HD1      LEU  35   5.140  10.648  12.265
  284   HD13  LEU  35          3HD1      LEU  35   3.799  11.189  13.302
  285   HD21  LEU  35          3HD2      LEU  35   2.684   7.762  14.253
  286   HD22  LEU  35          1HD2      LEU  35   3.832   8.757  15.181
  287   HD23  LEU  35          2HD2      LEU  35   2.374   9.500  14.481
  288    H    ARG  36           H        ARG  36   1.421   5.453  10.801
  289    HA   ARG  36           HA       ARG  36  -1.340   6.445  10.724
  290    HB2  ARG  36           2HB      ARG  36  -1.894   4.254  10.010
  291    HB3  ARG  36           1HB      ARG  36  -0.386   4.717   9.140
  292    HG2  ARG  36           2HG      ARG  36   0.131   2.544   9.650
  293    HG3  ARG  36           1HG      ARG  36   0.709   3.298  11.135
  294    HD2  ARG  36           2HD      ARG  36  -1.468   2.787  12.240
  295    HD3  ARG  36           1HD      ARG  36  -2.045   2.033  10.756
  296    HE   ARG  36           HE       ARG  36   0.415   0.867  11.452
  297   HH11  ARG  36          2HH2      ARG  36  -2.879   0.988  12.792
  298   HH12  ARG  36          1HH2      ARG  36  -2.725  -0.633  13.520
  299   HH21  ARG  36          2HH1      ARG  36   0.545  -1.184  12.407
  300   HH22  ARG  36          1HH1      ARG  36  -0.857  -1.817  13.311
  301    H    LEU  37           H        LEU  37  -3.018   5.687  12.028
  302    HA   LEU  37           HA       LEU  37  -4.072   5.259  14.090
  303    HB2  LEU  37           2HB      LEU  37  -3.212   3.170  13.993
  304    HB3  LEU  37           1HB      LEU  37  -1.611   3.730  14.603
  305    HG   LEU  37           HG       LEU  37  -3.989   4.138  16.367
  306   HD11  LEU  37          1HD1      LEU  37  -3.748   1.805  17.179
  307   HD12  LEU  37          2HD1      LEU  37  -4.246   1.810  15.471
  308   HD13  LEU  37          3HD1      LEU  37  -2.553   1.475  15.903
  309   HD21  LEU  37          3HD2      LEU  37  -1.729   4.896  17.017
  310   HD22  LEU  37          1HD2      LEU  37  -2.325   3.597  18.078
  311   HD23  LEU  37          2HD2      LEU  37  -1.121   3.236  16.817
  312    HN1  NH2  38           3HN      NH2  38  -2.323   5.651  13.263
  313    HN2  NH2  38           2HN      NH2  38  -3.974   5.809  13.763
  Start of MODEL   17
    1    H1   ACE   0           2H1      ACE   0   8.994  -6.570  -9.203
    2    H2   ACE   0           3H1      ACE   0   7.698  -5.579  -9.914
    3    H3   ACE   0           1H1      ACE   0   8.418  -5.115  -8.354
    4    H    TRP   1           H        TRP   1   5.695  -6.148  -9.591
    5    HA   TRP   1           HA       TRP   1   4.446  -6.996  -7.262
    6    HB2  TRP   1           2HB      TRP   1   3.922  -8.042 -10.054
    7    HB3  TRP   1           1HB      TRP   1   2.806  -8.122  -8.655
    8    HD1  TRP   1           HD       TRP   1   3.548  -6.091 -11.546
    9    HE1  TRP   1           1HE      TRP   1   2.424  -3.672 -11.418
   10    HE3  TRP   1           3HE      TRP   1   2.569  -6.018  -6.639
   11    HZ2  TRP   1           2HZ      TRP   1   1.286  -2.108  -9.341
   12    HZ3  TRP   1           3HZ      TRP   1   1.037  -4.467  -5.720
   13    HH2  TRP   1           HH       TRP   1   0.441  -2.325  -6.995
   14    HA   PRO   2           HA       PRO   2   6.976 -10.686  -6.473
   15    HB2  PRO   2           2HB      PRO   2   6.561 -10.697  -3.810
   16    HB3  PRO   2           1HB      PRO   2   7.713  -9.580  -4.539
   17    HG2  PRO   2           2HG      PRO   2   4.819  -9.035  -3.709
   18    HG3  PRO   2           1HG      PRO   2   6.247  -8.067  -3.358
   19    HD2  PRO   2           1HD      PRO   2   4.598  -7.498  -5.553
   20    HD3  PRO   2           2HD      PRO   2   6.401  -7.253  -5.662
   21    HA   PRO   3           HA       PRO   3   3.624 -13.565  -6.395
   22    HB2  PRO   3           2HB      PRO   3   4.949 -15.873  -5.751
   23    HB3  PRO   3           1HB      PRO   3   5.038 -15.127  -7.347
   24    HG2  PRO   3           2HG      PRO   3   7.010 -14.874  -5.025
   25    HG3  PRO   3           1HG      PRO   3   7.363 -15.175  -6.725
   26    HD2  PRO   3           1HD      PRO   3   7.461 -12.587  -5.641
   27    HD3  PRO   3           2HD      PRO   3   6.879 -12.854  -7.351
   28    H    ARG   4           H        ARG   4   5.846 -13.635  -3.531
   29    HA   ARG   4           HA       ARG   4   3.720 -14.583  -1.714
   30    HB2  ARG   4           2HB      ARG   4   6.655 -13.884  -1.343
   31    HB3  ARG   4           1HB      ARG   4   5.576 -14.105   0.007
   32    HG2  ARG   4           2HG      ARG   4   4.994 -16.357  -0.918
   33    HG3  ARG   4           1HG      ARG   4   6.307 -16.108  -2.106
   34    HD2  ARG   4           2HD      ARG   4   7.907 -15.722  -0.260
   35    HD3  ARG   4           1HD      ARG   4   6.599 -15.951   0.930
   36    HE   ARG   4           HE       ARG   4   6.632 -18.185  -0.767
   37   HH11  ARG   4          2HH2      ARG   4   8.525 -16.864   1.933
   38   HH12  ARG   4          1HH2      ARG   4   9.277 -18.444   2.286
   39   HH21  ARG   4          2HH1      ARG   4   7.592 -20.159  -0.268
   40   HH22  ARG   4          1HH1      ARG   4   8.761 -20.255   1.077
   41    H    SER   5           H        SER   5   2.305 -13.334  -0.860
   42    HA   SER   5           HA       SER   5   1.152 -11.472  -0.086
   43    HB2  SER   5           2HB      SER   5   3.932 -10.605   0.686
   44    HB3  SER   5           1HB      SER   5   2.439  -9.778   1.143
   45    HG   SER   5           HG       SER   5   2.041 -11.242   2.635
   46    H    TYR   6           H        TYR   6   0.625  -9.276  -0.377
   47    HA   TYR   6           HA       TYR   6   2.030  -7.908  -2.699
   48    HB2  TYR   6           1HB      TYR   6  -0.889  -8.162  -2.360
   49    HB3  TYR   6           2HB      TYR   6  -0.161  -7.157  -3.421
   50    HD1  TYR   6           2HD      TYR   6  -0.989 -10.597  -2.683
   51    HD2  TYR   6           1HD      TYR   6   0.930  -7.943  -5.464
   52    HE1  TYR   6           2HE      TYR   6  -0.961 -12.393  -4.371
   53    HE2  TYR   6           1HE      TYR   6   0.927  -9.724  -7.173
   54    HH   TYR   6           HH       TYR   6   0.290 -12.889  -6.920
   55    H    THR   7           H        THR   7   2.285  -5.882  -2.769
   56    HA   THR   7           HA       THR   7   2.060  -4.306  -0.318
   57    HB   THR   7           HB       THR   7   3.362  -3.981  -3.007
   58    HG1  THR   7           1HG      THR   7   4.293  -4.365  -0.285
   59   HG21  THR   7          3HG2      THR   7   3.573  -2.047  -0.683
   60   HG22  THR   7          1HG2      THR   7   4.568  -2.036  -2.159
   61   HG23  THR   7          2HG2      THR   7   2.821  -1.714  -2.261
   62    H    CYS   8           H        CYS   8   1.031  -2.277  -0.191
   63    HA   CYS   8           HA       CYS   8  -1.421  -2.127  -1.780
   64    HB2  CYS   8           2HB      CYS   8  -1.037  -2.087   0.938
   65    HB3  CYS   8           1HB      CYS   8  -1.217  -0.367   0.542
   66    H    SER   9           H        SER   9   1.687  -0.797  -1.597
   67    HA   SER   9           HA       SER   9   2.854   0.980  -2.414
   68    HB2  SER   9           2HB      SER   9   2.281   2.385  -3.941
   69    HB3  SER   9           1HB      SER   9   1.341   0.907  -4.313
   70    HG   SER   9           HG       SER   9  -0.430   2.066  -4.236
   71    H    PHE  10           H        PHE  10  -0.280   2.228  -1.298
   72    HA   PHE  10           HA       PHE  10   0.632   4.453  -0.026
   73    HB2  PHE  10           1HB      PHE  10  -1.680   2.996  -0.489
   74    HB3  PHE  10           2HB      PHE  10  -1.709   3.261   1.122
   75    HD1  PHE  10           2HD      PHE  10  -1.076   5.915   1.696
   76    HD2  PHE  10           1HD      PHE  10  -3.244   4.194  -1.582
   77    HE1  PHE  10           2HE      PHE  10  -2.340   8.011   1.419
   78    HE2  PHE  10           1HE      PHE  10  -4.610   6.248  -1.772
   79    HZ   PHE  10           HZ       PHE  10  -4.094   8.206  -0.332
   80    H    CYS  11           H        CYS  11   0.086   1.180   1.634
   81    HA   CYS  11           HA       CYS  11   1.407   2.425   3.935
   82    HB2  CYS  11           2HB      CYS  11   0.684   0.455   5.183
   83    HB3  CYS  11           1HB      CYS  11  -0.686   1.286   4.423
   84    H    LYS  12           H        LYS  12   2.658   1.374   1.150
   85    HA   LYS  12           HA       LYS  12   3.792  -0.632   0.346
   86    HB2  LYS  12           2HB      LYS  12   6.127  -0.161   1.074
   87    HB3  LYS  12           1HB      LYS  12   5.246   1.266   0.432
   88    HG2  LYS  12           2HG      LYS  12   5.038   2.202   2.679
   89    HG3  LYS  12           1HG      LYS  12   5.660   0.747   3.417
   90    HD2  LYS  12           2HD      LYS  12   7.363   2.232   1.421
   91    HD3  LYS  12           1HD      LYS  12   7.227   2.791   3.086
   92    HE2  LYS  12           2HE      LYS  12   8.111   0.730   3.950
   93    HE3  LYS  12           1HE      LYS  12   7.958  -0.074   2.381
   94    HZ1  LYS  12           3HZ      LYS  12   9.713   2.214   2.984
   95    HZ2  LYS  12           1HZ      LYS  12  10.189   0.610   2.811
   96    HZ3  LYS  12           2HZ      LYS  12   9.567   1.449   1.493
   97    H    ARG  13           H        ARG  13   2.277  -1.496   2.716
   98    HA   ARG  13           HA       ARG  13   4.100  -3.480   3.812
   99    HB2  ARG  13           2HB      ARG  13   1.881  -1.930   4.744
  100    HB3  ARG  13           1HB      ARG  13   1.333  -3.609   4.740
  101    HG2  ARG  13           2HG      ARG  13   4.078  -3.276   5.850
  102    HG3  ARG  13           1HG      ARG  13   2.849  -2.451   6.770
  103    HD2  ARG  13           2HD      ARG  13   2.316  -5.287   5.944
  104    HD3  ARG  13           1HD      ARG  13   3.456  -4.959   7.253
  105    HE   ARG  13           HE       ARG  13   0.583  -4.535   7.245
  106   HH11  ARG  13          2HH2      ARG  13   3.608  -3.745   8.944
  107   HH12  ARG  13          1HH2      ARG  13   2.755  -3.391  10.471
  108   HH21  ARG  13          2HH1      ARG  13  -0.443  -4.048   9.231
  109   HH22  ARG  13          1HH1      ARG  13   0.553  -3.556  10.626
  110    H    GLU  14           H        GLU  14   4.042  -5.509   3.606
  111    HA   GLU  14           HA       GLU  14   2.716  -6.713   1.283
  112    HB2  GLU  14           2HB      GLU  14   4.867  -7.649   3.227
  113    HB3  GLU  14           1HB      GLU  14   4.215  -8.656   1.949
  114    HG2  GLU  14           2HG      GLU  14   5.011  -7.130   0.240
  115    HG3  GLU  14           1HG      GLU  14   5.484  -5.938   1.455
  116    H    PHE  15           H        PHE  15   0.749  -7.466   1.486
  117    HA   PHE  15           HA       PHE  15  -0.053  -8.885   3.988
  118    HB2  PHE  15           1HB      PHE  15  -1.721  -7.820   1.808
  119    HB3  PHE  15           2HB      PHE  15  -2.243  -8.427   3.231
  120    HD1  PHE  15           2HD      PHE  15  -1.933  -7.225   5.359
  121    HD2  PHE  15           1HD      PHE  15  -1.122  -5.491   1.510
  122    HE1  PHE  15           2HE      PHE  15  -2.173  -4.955   6.329
  123    HE2  PHE  15           1HE      PHE  15  -1.552  -3.238   2.449
  124    HZ   PHE  15           HZ       PHE  15  -1.769  -2.960   4.900
  125    H    ARG  16           H        ARG  16  -0.745 -10.895   4.023
  126    HA   ARG  16           HA       ARG  16  -0.324 -12.600   1.708
  127    HB2  ARG  16           2HB      ARG  16   0.219 -12.903   4.364
  128    HB3  ARG  16           1HB      ARG  16  -1.400 -13.598   4.361
  129    HG2  ARG  16           2HG      ARG  16  -0.504 -14.997   2.295
  130    HG3  ARG  16           1HG      ARG  16   1.078 -14.580   2.937
  131    HD2  ARG  16           2HD      ARG  16   0.691 -16.529   4.056
  132    HD3  ARG  16           1HD      ARG  16  -0.004 -15.377   5.226
  133    HE   ARG  16           HE       ARG  16  -1.907 -16.234   3.240
  134   HH11  ARG  16          2HH2      ARG  16  -0.816 -16.780   6.553
  135   HH12  ARG  16          1HH2      ARG  16  -2.093 -17.984   6.872
  136   HH21  ARG  16          2HH1      ARG  16  -3.557 -17.713   3.706
  137   HH22  ARG  16          1HH1      ARG  16  -3.602 -18.492   5.310
  138    H    SER  17           H        SER  17  -2.328 -11.004   0.980
  139    HA   SER  17           HA       SER  17  -4.617 -12.795   0.580
  140    HB2  SER  17           2HB      SER  17  -4.813 -10.416   2.384
  141    HB3  SER  17           1HB      SER  17  -6.172 -10.875   1.339
  142    HG   SER  17           HG       SER  17  -4.819 -12.857   2.926
  143    H    ALA  18           H        ALA  18  -6.359 -11.509  -0.666
  144    HA   ALA  18           HA       ALA  18  -5.151  -9.538  -2.601
  145    HB1  ALA  18           1HB      ALA  18  -6.452 -10.537  -4.336
  146    HB2  ALA  18           2HB      ALA  18  -5.293 -11.692  -3.637
  147    HB3  ALA  18           3HB      ALA  18  -7.019 -11.799  -3.217
  148    H    GLN  19           H        GLN  19  -8.434 -10.818  -1.796
  149    HA   GLN  19           HA       GLN  19  -9.818  -8.459  -2.315
  150    HB2  GLN  19           2HB      GLN  19 -10.400 -10.875  -0.535
  151    HB3  GLN  19           1HB      GLN  19 -11.602  -9.617  -0.869
  152    HG2  GLN  19           2HG      GLN  19 -11.879 -10.310  -3.106
  153    HG3  GLN  19           1HG      GLN  19 -10.226 -10.822  -3.277
  154   HE21  GLN  19          2HE2      GLN  19 -10.705 -12.707  -4.220
  155   HE22  GLN  19          1HE2      GLN  19 -11.459 -14.062  -3.339
  156    H    ALA  20           H        ALA  20  -8.649  -9.566   0.909
  157    HA   ALA  20           HA       ALA  20  -9.335  -7.407   2.506
  158    HB1  ALA  20           1HB      ALA  20  -7.419  -7.959   3.822
  159    HB2  ALA  20           2HB      ALA  20  -8.280  -9.427   3.300
  160    HB3  ALA  20           3HB      ALA  20  -6.761  -8.955   2.502
  161    H    LEU  21           H        LEU  21  -6.941  -7.347  -0.128
  162    HA   LEU  21           HA       LEU  21  -5.606  -4.866   0.803
  163    HB2  LEU  21           2HB      LEU  21  -5.184  -6.744  -1.484
  164    HB3  LEU  21           1HB      LEU  21  -4.398  -5.142  -1.333
  165    HG   LEU  21           HG       LEU  21  -3.539  -5.922   0.909
  166   HD11  LEU  21          1HD1      LEU  21  -3.375  -8.338   1.285
  167   HD12  LEU  21          2HD1      LEU  21  -5.066  -7.783   1.293
  168   HD13  LEU  21          3HD1      LEU  21  -4.414  -8.630  -0.130
  169   HD21  LEU  21          3HD2      LEU  21  -2.168  -5.818  -1.154
  170   HD22  LEU  21          1HD2      LEU  21  -1.707  -7.226  -0.168
  171   HD23  LEU  21          2HD2      LEU  21  -2.725  -7.445  -1.611
  172    H    GLY  22           H        GLY  22  -7.545  -5.937  -2.137
  173    HA2  GLY  22           2HA      GLY  22  -7.876  -3.486  -3.338
  174    HA3  GLY  22           1HA      GLY  22  -9.128  -4.730  -3.278
  175    H    GLY  23           H        GLY  23  -9.988  -4.866  -0.722
  176    HA2  GLY  23           2HA      GLY  23 -11.504  -2.524  -0.111
  177    HA3  GLY  23           1HA      GLY  23 -11.208  -3.853   0.962
  178    H    HIS  24           H        HIS  24  -8.314  -3.641   1.218
  179    HA   HIS  24           HA       HIS  24  -8.369  -1.766   3.328
  180    HB2  HIS  24           2HB      HIS  24  -7.166  -3.666   3.710
  181    HB3  HIS  24           1HB      HIS  24  -6.285  -3.547   2.155
  182    HD1  HIS  24           1HD      HIS  24  -5.712  -3.230   5.534
  183    HD2  HIS  24           2HD      HIS  24  -4.707  -0.877   2.250
  184    HE1  HIS  24           1HE      HIS  24  -3.678  -1.747   6.285
  185    H    MET  25           H        MET  25  -6.814  -1.774   0.059
  186    HA   MET  25           HA       MET  25  -5.560   0.750   0.086
  187    HB2  MET  25           2HB      MET  25  -5.754  -1.361  -1.672
  188    HB3  MET  25           1HB      MET  25  -6.773  -0.186  -2.461
  189    HG2  MET  25           2HG      MET  25  -4.085   0.607  -1.416
  190    HG3  MET  25           1HG      MET  25  -4.286  -0.254  -2.979
  191    HE1  MET  25           3HE      MET  25  -5.554   0.673  -4.997
  192    HE2  MET  25           1HE      MET  25  -4.969   2.291  -5.450
  193    HE3  MET  25           2HE      MET  25  -3.819   1.054  -4.888
  194    H    ASN  26           H        ASN  26  -8.960  -0.119  -0.769
  195    HA   ASN  26           HA       ASN  26  -9.784   2.523  -1.412
  196    HB2  ASN  26           2HB      ASN  26 -10.961   0.232  -1.889
  197    HB3  ASN  26           1HB      ASN  26 -11.547   0.316  -0.236
  198   HD21  ASN  26          2HD2      ASN  26 -11.589   1.839  -3.419
  199   HD22  ASN  26          1HD2      ASN  26 -13.087   2.771  -3.157
  200    H    VAL  27           H        VAL  27  -9.769   0.870   1.802
  201    HA   VAL  27           HA       VAL  27 -10.923   2.987   3.212
  202    HB   VAL  27           HB       VAL  27 -10.501   0.593   3.843
  203   HG11  VAL  27          1HG1      VAL  27  -8.851   0.298   5.620
  204   HG12  VAL  27          2HG1      VAL  27  -8.060   0.579   4.051
  205   HG13  VAL  27          3HG1      VAL  27  -8.149   1.891   5.251
  206   HG21  VAL  27          3HG2      VAL  27 -11.955   2.108   4.927
  207   HG22  VAL  27          1HG2      VAL  27 -10.998   1.218   6.135
  208   HG23  VAL  27          2HG2      VAL  27 -10.593   2.906   5.747
  209    H    HIS  28           H        HIS  28  -7.679   2.949   1.810
  210    HA   HIS  28           HA       HIS  28  -6.352   4.698   3.446
  211    HB2  HIS  28           2HB      HIS  28  -6.216   4.269   0.492
  212    HB3  HIS  28           1HB      HIS  28  -5.105   5.340   1.402
  213    HD1  HIS  28           1HD      HIS  28  -5.099   3.329   3.866
  214    HD2  HIS  28           2HD      HIS  28  -4.126   2.476  -0.092
  215    HE1  HIS  28           1HE      HIS  28  -3.523   1.227   3.931
  216    H    ARG  29           H        ARG  29  -5.952   7.030   3.257
  217    HA   ARG  29           HA       ARG  29  -7.398   8.866   1.560
  218    HB2  ARG  29           2HB      ARG  29  -8.819   9.890   3.247
  219    HB3  ARG  29           1HB      ARG  29  -9.338   8.214   2.884
  220    HG2  ARG  29           2HG      ARG  29  -8.073   7.521   5.014
  221    HG3  ARG  29           1HG      ARG  29  -7.945   9.232   5.396
  222    HD2  ARG  29           2HD      ARG  29  -9.963   9.045   6.368
  223    HD3  ARG  29           1HD      ARG  29 -10.657   8.890   4.750
  224    HE   ARG  29           HE       ARG  29 -10.891   6.634   5.050
  225   HH11  ARG  29          2HH2      ARG  29  -8.358   7.527   7.323
  226   HH12  ARG  29          1HH2      ARG  29  -8.619   6.081   8.334
  227   HH21  ARG  29          2HH1      ARG  29 -11.162   4.774   6.321
  228   HH22  ARG  29          1HH1      ARG  29 -10.155   4.565   7.779
  229    H    ARG  30           H        ARG  30  -4.865   8.886   1.588
  230    HA   ARG  30           HA       ARG  30  -4.250  11.272   3.202
  231    HB2  ARG  30           2HB      ARG  30  -3.447   8.793   4.089
  232    HB3  ARG  30           1HB      ARG  30  -2.086   9.215   3.034
  233    HG2  ARG  30           2HG      ARG  30  -1.728  11.305   4.245
  234    HG3  ARG  30           1HG      ARG  30  -3.184  11.039   5.216
  235    HD2  ARG  30           2HD      ARG  30  -2.209   9.028   6.184
  236    HD3  ARG  30           1HD      ARG  30  -0.747   9.241   5.167
  237    HE   ARG  30           HE       ARG  30  -1.323  11.632   6.604
  238   HH11  ARG  30          2HH2      ARG  30  -0.192   8.375   7.440
  239   HH12  ARG  30          1HH2      ARG  30   0.830   8.983   8.769
  240   HH21  ARG  30          2HH1      ARG  30  -0.002  12.355   8.280
  241   HH22  ARG  30          1HH1      ARG  30   0.932  11.171   9.232
  242    H    ASP  31           H        ASP  31  -4.059  12.751   1.772
  243    HA   ASP  31           HA       ASP  31  -2.661  12.419  -0.763
  244    HB2  ASP  31           2HB      ASP  31  -4.499  14.261   0.230
  245    HB3  ASP  31           1HB      ASP  31  -3.031  15.173   0.148
  246    H    ARG  32           H        ARG  32  -1.808  14.148   2.282
  247    HA   ARG  32           HA       ARG  32   0.120  15.175   3.014
  248    HB2  ARG  32           2HB      ARG  32   1.261  12.633   1.782
  249    HB3  ARG  32           1HB      ARG  32   2.220  13.784   2.705
  250    HG2  ARG  32           2HG      ARG  32   0.631  13.449   4.664
  251    HG3  ARG  32           1HG      ARG  32  -0.191  12.214   3.745
  252    HD2  ARG  32           2HD      ARG  32   2.798  12.038   4.248
  253    HD3  ARG  32           1HD      ARG  32   1.623  11.449   5.400
  254    HE   ARG  32           HE       ARG  32   0.900  10.342   2.976
  255   HH11  ARG  32          2HH2      ARG  32   3.929  10.349   4.823
  256   HH12  ARG  32          1HH2      ARG  32   4.279   8.647   4.417
  257   HH21  ARG  32          2HH1      ARG  32   1.434   8.199   2.434
  258   HH22  ARG  32          1HH1      ARG  32   2.918   7.474   3.110
  259    H    ALA  33           H        ALA  33   2.015  16.348   2.707
  260    HA   ALA  33           HA       ALA  33   2.155  17.410  -0.073
  261    HB1  ALA  33           1HB      ALA  33   3.021  19.429   0.949
  262    HB2  ALA  33           2HB      ALA  33   1.403  19.005   1.556
  263    HB3  ALA  33           3HB      ALA  33   2.839  18.697   2.561
  264    H    ARG  34           H        ARG  34   3.376  15.158  -0.131
  265    HA   ARG  34           HA       ARG  34   6.226  15.414   0.554
  266    HB2  ARG  34           2HB      ARG  34   4.349  13.269   0.002
  267    HB3  ARG  34           1HB      ARG  34   5.762  13.145  -1.067
  268    HG2  ARG  34           2HG      ARG  34   5.969  13.530   1.965
  269    HG3  ARG  34           1HG      ARG  34   6.057  11.961   1.174
  270    HD2  ARG  34           2HD      ARG  34   8.113  12.432   0.164
  271    HD3  ARG  34           1HD      ARG  34   7.888  14.187   0.278
  272    HE   ARG  34           HE       ARG  34   7.891  13.052   2.869
  273   HH11  ARG  34          2HH2      ARG  34  10.173  13.885   0.270
  274   HH12  ARG  34          1HH2      ARG  34  11.540  14.032   1.407
  275   HH21  ARG  34          2HH1      ARG  34   9.646  13.318   4.269
  276   HH22  ARG  34          1HH1      ARG  34  11.250  13.722   3.601
  277    H    LEU  35           H        LEU  35   4.365  15.833  -2.354
  278    HA   LEU  35           HA       LEU  35   4.921  16.550  -4.471
  279    HB2  LEU  35           2HB      LEU  35   7.453  17.615  -3.310
  280    HB3  LEU  35           1HB      LEU  35   6.472  18.208  -4.691
  281    HG   LEU  35           HG       LEU  35   5.532  18.337  -1.783
  282   HD11  LEU  35          1HD1      LEU  35   6.152  20.673  -1.866
  283   HD12  LEU  35          2HD1      LEU  35   7.579  19.629  -2.063
  284   HD13  LEU  35          3HD1      LEU  35   6.873  20.447  -3.477
  285   HD21  LEU  35          3HD2      LEU  35   3.735  18.367  -3.460
  286   HD22  LEU  35          1HD2      LEU  35   3.933  19.931  -2.633
  287   HD23  LEU  35          2HD2      LEU  35   4.548  19.716  -4.289
  288    H    ARG  36           H        ARG  36   5.110  14.615  -5.512
  289    HA   ARG  36           HA       ARG  36   6.062  12.706  -6.447
  290    HB2  ARG  36           2HB      ARG  36   7.622  13.311  -8.149
  291    HB3  ARG  36           1HB      ARG  36   6.434  14.650  -7.985
  292    HG2  ARG  36           2HG      ARG  36   8.158  15.981  -6.761
  293    HG3  ARG  36           1HG      ARG  36   9.314  14.683  -6.962
  294    HD2  ARG  36           2HD      ARG  36   9.815  16.174  -8.717
  295    HD3  ARG  36           1HD      ARG  36   8.869  14.939  -9.525
  296    HE   ARG  36           HE       ARG  36   8.031  17.650  -8.841
  297   HH11  ARG  36          2HH2      ARG  36   6.974  14.539 -10.176
  298   HH12  ARG  36          1HH2      ARG  36   5.738  15.304 -11.209
  299   HH21  ARG  36          2HH1      ARG  36   6.383  18.562 -10.101
  300   HH22  ARG  36          1HH1      ARG  36   5.412  17.510 -11.165
  301    H    LEU  37           H        LEU  37   6.603  12.476  -3.871
  302    HA   LEU  37           HA       LEU  37   8.997  10.785  -4.038
  303    HB2  LEU  37           2HB      LEU  37   8.837  13.275  -2.412
  304    HB3  LEU  37           1HB      LEU  37   9.562  11.871  -1.648
  305    HG   LEU  37           HG       LEU  37  10.406  12.546  -4.445
  306   HD11  LEU  37          1HD1      LEU  37  12.084  14.110  -3.551
  307   HD12  LEU  37          2HD1      LEU  37  10.432  14.708  -3.265
  308   HD13  LEU  37          3HD1      LEU  37  11.356  13.974  -1.933
  309   HD21  LEU  37          3HD2      LEU  37  11.230  10.504  -3.305
  310   HD22  LEU  37          1HD2      LEU  37  12.548  11.671  -3.569
  311   HD23  LEU  37          2HD2      LEU  37  11.822  11.500  -1.953
  312    HN1  NH2  38           3HN      NH2  38   6.745   8.605  -2.485
  313    HN2  NH2  38           2HN      NH2  38   8.029   8.871  -3.616
  Start of MODEL   18
    1    H1   ACE   0           2H1      ACE   0   9.819  -5.080  -8.621
    2    H2   ACE   0           3H1      ACE   0   9.135  -5.578 -10.188
    3    H3   ACE   0           1H1      ACE   0   8.849  -3.932  -9.575
    4    H    TRP   1           H        TRP   1   7.821  -7.181  -9.667
    5    HA   TRP   1           HA       TRP   1   6.011  -6.939  -7.340
    6    HB2  TRP   1           2HB      TRP   1   5.154  -6.073  -9.893
    7    HB3  TRP   1           1HB      TRP   1   4.414  -7.678  -9.595
    8    HD1  TRP   1           HD       TRP   1   5.015  -5.213  -6.811
    9    HE1  TRP   1           1HE      TRP   1   2.679  -4.518  -5.726
   10    HE3  TRP   1           3HE      TRP   1   2.008  -7.721  -9.928
   11    HZ2  TRP   1           2HZ      TRP   1  -0.042  -5.079  -6.314
   12    HZ3  TRP   1           3HZ      TRP   1  -0.301  -7.220 -10.067
   13    HH2  TRP   1           HH       TRP   1  -1.477  -5.992  -8.149
   14    HA   PRO   2           HA       PRO   2   7.537 -11.211  -7.815
   15    HB2  PRO   2           2HB      PRO   2   7.768 -11.682  -5.177
   16    HB3  PRO   2           1HB      PRO   2   8.980 -10.712  -6.011
   17    HG2  PRO   2           2HG      PRO   2   6.590  -9.738  -4.363
   18    HG3  PRO   2           1HG      PRO   2   8.267  -9.217  -4.248
   19    HD2  PRO   2           1HD      PRO   2   6.410  -7.828  -5.821
   20    HD3  PRO   2           2HD      PRO   2   8.147  -7.970  -6.346
   21    HA   PRO   3           HA       PRO   3   3.655 -13.213  -7.233
   22    HB2  PRO   3           2HB      PRO   3   4.378 -15.821  -6.781
   23    HB3  PRO   3           1HB      PRO   3   4.469 -15.057  -8.367
   24    HG2  PRO   3           2HG      PRO   3   6.703 -15.434  -6.316
   25    HG3  PRO   3           1HG      PRO   3   6.752 -15.750  -8.049
   26    HD2  PRO   3           1HD      PRO   3   7.675 -13.324  -6.982
   27    HD3  PRO   3           2HD      PRO   3   6.813 -13.351  -8.593
   28    H    ARG   4           H        ARG   4   6.044 -14.211  -4.722
   29    HA   ARG   4           HA       ARG   4   4.101 -14.692  -2.623
   30    HB2  ARG   4           2HB      ARG   4   6.255 -14.781  -1.216
   31    HB3  ARG   4           1HB      ARG   4   6.215 -15.941  -2.511
   32    HG2  ARG   4           2HG      ARG   4   7.793 -14.698  -3.820
   33    HG3  ARG   4           1HG      ARG   4   7.579 -13.249  -2.881
   34    HD2  ARG   4           2HD      ARG   4   8.590 -14.230  -0.982
   35    HD3  ARG   4           1HD      ARG   4   8.693 -15.820  -1.837
   36    HE   ARG   4           HE       ARG   4   9.935 -13.335  -2.938
   37   HH11  ARG   4          2HH2      ARG   4  10.525 -16.580  -1.657
   38   HH12  ARG   4          1HH2      ARG   4  12.075 -16.743  -2.526
   39   HH21  ARG   4          2HH1      ARG   4  11.939 -13.552  -3.977
   40   HH22  ARG   4          1HH1      ARG   4  12.855 -15.073  -3.801
   41    H    SER   5           H        SER   5   2.983 -13.288  -1.591
   42    HA   SER   5           HA       SER   5   2.189 -11.258  -0.771
   43    HB2  SER   5           2HB      SER   5   5.094 -10.942  -0.084
   44    HB3  SER   5           1HB      SER   5   3.838  -9.785   0.350
   45    HG   SER   5           HG       SER   5   4.420 -11.568   1.899
   46    H    TYR   6           H        TYR   6   1.866  -9.108  -1.093
   47    HA   TYR   6           HA       TYR   6   3.441  -7.788  -3.305
   48    HB2  TYR   6           1HB      TYR   6   0.499  -8.046  -3.212
   49    HB3  TYR   6           2HB      TYR   6   1.271  -6.943  -4.137
   50    HD1  TYR   6           1HD      TYR   6   2.676  -7.572  -6.027
   51    HD2  TYR   6           2HD      TYR   6   0.447 -10.471  -3.809
   52    HE1  TYR   6           1HE      TYR   6   2.635  -9.029  -8.014
   53    HE2  TYR   6           2HE      TYR   6   0.497 -11.992  -5.746
   54    HH   TYR   6           HH       TYR   6   1.795 -12.136  -8.316
   55    H    THR   7           H        THR   7   3.799  -5.757  -3.287
   56    HA   THR   7           HA       THR   7   3.423  -4.173  -0.898
   57    HB   THR   7           HB       THR   7   4.578  -3.627  -3.627
   58    HG1  THR   7           1HG      THR   7   5.547  -4.614  -1.097
   59   HG21  THR   7          3HG2      THR   7   4.971  -2.046  -1.069
   60   HG22  THR   7          1HG2      THR   7   5.851  -1.812  -2.598
   61   HG23  THR   7          2HG2      THR   7   4.102  -1.494  -2.521
   62    H    CYS   8           H        CYS   8   2.338  -2.193  -0.671
   63    HA   CYS   8           HA       CYS   8  -0.121  -2.016  -2.245
   64    HB2  CYS   8           2HB      CYS   8   0.290  -2.012   0.475
   65    HB3  CYS   8           1HB      CYS   8   0.072  -0.292   0.097
   66    H    SER   9           H        SER   9   3.003  -0.629  -2.024
   67    HA   SER   9           HA       SER   9   4.094   1.223  -2.803
   68    HB2  SER   9           2HB      SER   9   3.461   2.612  -4.407
   69    HB3  SER   9           1HB      SER   9   2.602   1.163  -4.793
   70    HG   SER   9           HG       SER   9   0.846   2.234  -4.723
   71    H    PHE  10           H        PHE  10   0.879   2.494  -1.745
   72    HA   PHE  10           HA       PHE  10   1.741   4.686  -0.277
   73    HB2  PHE  10           1HB      PHE  10  -0.561   2.931  -0.065
   74    HB3  PHE  10           2HB      PHE  10  -0.298   4.035   1.109
   75    HD1  PHE  10           2HD      PHE  10  -1.257   3.554  -2.345
   76    HD2  PHE  10           1HD      PHE  10  -0.804   6.306   0.917
   77    HE1  PHE  10           2HE      PHE  10  -2.776   5.150  -3.479
   78    HE2  PHE  10           1HE      PHE  10  -2.359   7.885  -0.196
   79    HZ   PHE  10           HZ       PHE  10  -3.323   7.318  -2.409
   80    H    CYS  11           H        CYS  11   1.596   1.241   1.089
   81    HA   CYS  11           HA       CYS  11   2.852   2.531   3.420
   82    HB2  CYS  11           2HB      CYS  11   2.116   0.561   4.704
   83    HB3  CYS  11           1HB      CYS  11   0.764   1.491   4.031
   84    H    LYS  12           H        LYS  12   4.136   1.548   0.704
   85    HA   LYS  12           HA       LYS  12   5.207  -0.479  -0.166
   86    HB2  LYS  12           2HB      LYS  12   7.492  -0.029   0.350
   87    HB3  LYS  12           1HB      LYS  12   6.623   1.544   0.257
   88    HG2  LYS  12           2HG      LYS  12   7.107   0.259   2.913
   89    HG3  LYS  12           1HG      LYS  12   8.434   1.125   2.075
   90    HD2  LYS  12           2HD      LYS  12   7.333   3.200   2.241
   91    HD3  LYS  12           1HD      LYS  12   5.756   2.455   2.540
   92    HE2  LYS  12           2HE      LYS  12   6.614   1.629   4.773
   93    HE3  LYS  12           1HE      LYS  12   8.130   2.457   4.479
   94    HZ1  LYS  12           3HZ      LYS  12   5.487   3.718   4.639
   95    HZ2  LYS  12           1HZ      LYS  12   6.685   3.722   5.818
   96    HZ3  LYS  12           2HZ      LYS  12   6.941   4.513   4.357
   97    H    ARG  13           H        ARG  13   3.624  -1.410   2.156
   98    HA   ARG  13           HA       ARG  13   5.339  -3.502   3.205
   99    HB2  ARG  13           2HB      ARG  13   2.891  -2.051   4.000
  100    HB3  ARG  13           1HB      ARG  13   2.665  -3.776   4.162
  101    HG2  ARG  13           2HG      ARG  13   4.502  -3.971   5.713
  102    HG3  ARG  13           1HG      ARG  13   5.112  -2.384   5.329
  103    HD2  ARG  13           2HD      ARG  13   4.039  -2.252   7.399
  104    HD3  ARG  13           1HD      ARG  13   2.977  -1.422   6.218
  105    HE   ARG  13           HE       ARG  13   2.473  -3.974   7.587
  106   HH11  ARG  13          2HH2      ARG  13   1.254  -1.471   5.388
  107   HH12  ARG  13          1HH2      ARG  13  -0.446  -1.944   5.653
  108   HH21  ARG  13          2HH1      ARG  13   0.306  -4.585   7.837
  109   HH22  ARG  13          1HH1      ARG  13  -0.966  -3.657   6.999
  110    H    GLU  14           H        GLU  14   4.973  -5.596   3.206
  111    HA   GLU  14           HA       GLU  14   3.846  -6.767   0.736
  112    HB2  GLU  14           2HB      GLU  14   5.807  -7.705   2.881
  113    HB3  GLU  14           1HB      GLU  14   5.147  -8.794   1.697
  114    HG2  GLU  14           2HG      GLU  14   6.447  -6.248   0.743
  115    HG3  GLU  14           1HG      GLU  14   7.429  -7.608   1.259
  116    H    PHE  15           H        PHE  15   1.804  -7.259   0.782
  117    HA   PHE  15           HA       PHE  15   0.612  -8.658   3.120
  118    HB2  PHE  15           1HB      PHE  15  -0.451  -7.264   0.771
  119    HB3  PHE  15           2HB      PHE  15  -1.373  -8.362   1.551
  120    HD1  PHE  15           2HD      PHE  15   0.445  -5.196   2.058
  121    HD2  PHE  15           1HD      PHE  15  -2.697  -7.832   3.338
  122    HE1  PHE  15           2HE      PHE  15  -0.184  -3.595   3.844
  123    HE2  PHE  15           1HE      PHE  15  -3.286  -6.258   5.161
  124    HZ   PHE  15           HZ       PHE  15  -1.866  -4.263   5.546
  125    H    ARG  16           H        ARG  16   0.035 -10.677   3.105
  126    HA   ARG  16           HA       ARG  16   0.591 -12.371   0.783
  127    HB2  ARG  16           2HB      ARG  16   0.428 -14.205   2.531
  128    HB3  ARG  16           1HB      ARG  16   1.467 -12.945   3.138
  129    HG2  ARG  16           2HG      ARG  16  -0.380 -12.044   4.523
  130    HG3  ARG  16           1HG      ARG  16  -1.485 -13.216   3.861
  131    HD2  ARG  16           2HD      ARG  16   0.555 -14.838   4.738
  132    HD3  ARG  16           1HD      ARG  16   0.559 -13.523   5.927
  133    HE   ARG  16           HE       ARG  16  -1.358 -15.573   5.649
  134   HH11  ARG  16          2HH2      ARG  16  -1.366 -12.094   6.438
  135   HH12  ARG  16          1HH2      ARG  16  -2.899 -12.239   7.339
  136   HH21  ARG  16          2HH1      ARG  16  -3.271 -15.675   6.798
  137   HH22  ARG  16          1HH1      ARG  16  -3.938 -14.194   7.535
  138    H    SER  17           H        SER  17  -1.722 -10.631   0.532
  139    HA   SER  17           HA       SER  17  -3.931 -12.585   0.195
  140    HB2  SER  17           2HB      SER  17  -5.485 -11.190   1.478
  141    HB3  SER  17           1HB      SER  17  -4.250 -11.915   2.503
  142    HG   SER  17           HG       SER  17  -4.214  -9.858   3.166
  143    H    ALA  18           H        ALA  18  -5.134 -12.207  -1.485
  144    HA   ALA  18           HA       ALA  18  -4.632 -10.106  -3.381
  145    HB1  ALA  18           1HB      ALA  18  -6.414 -11.076  -4.608
  146    HB2  ALA  18           2HB      ALA  18  -5.258 -12.300  -4.031
  147    HB3  ALA  18           3HB      ALA  18  -6.834 -12.115  -3.225
  148    H    GLN  19           H        GLN  19  -7.886 -10.724  -2.017
  149    HA   GLN  19           HA       GLN  19  -8.866  -8.156  -2.429
  150    HB2  GLN  19           2HB      GLN  19 -10.150 -10.291  -2.003
  151    HB3  GLN  19           1HB      GLN  19  -9.716 -10.132  -0.272
  152    HG2  GLN  19           2HG      GLN  19 -11.950  -9.216  -0.435
  153    HG3  GLN  19           1HG      GLN  19 -10.932  -7.812  -0.390
  154   HE21  GLN  19          2HE2      GLN  19 -13.579  -8.947  -1.672
  155   HE22  GLN  19          1HE2      GLN  19 -13.557  -8.141  -3.264
  156    H    ALA  20           H        ALA  20  -7.654  -9.479   0.731
  157    HA   ALA  20           HA       ALA  20  -7.956  -7.091   2.153
  158    HB1  ALA  20           1HB      ALA  20  -6.560  -8.142   3.828
  159    HB2  ALA  20           2HB      ALA  20  -7.879  -9.175   3.228
  160    HB3  ALA  20           3HB      ALA  20  -6.209  -9.459   2.684
  161    H    LEU  21           H        LEU  21  -5.398  -7.725  -0.228
  162    HA   LEU  21           HA       LEU  21  -4.000  -5.294   0.628
  163    HB2  LEU  21           2HB      LEU  21  -2.952  -7.377  -0.376
  164    HB3  LEU  21           1HB      LEU  21  -3.681  -6.840  -1.926
  165    HG   LEU  21           HG       LEU  21  -1.894  -5.037  -0.319
  166   HD11  LEU  21          1HD1      LEU  21  -0.052  -5.976  -1.803
  167   HD12  LEU  21          2HD1      LEU  21  -0.760  -7.254  -0.787
  168   HD13  LEU  21          3HD1      LEU  21  -1.229  -7.116  -2.498
  169   HD21  LEU  21          3HD2      LEU  21  -3.092  -3.983  -2.185
  170   HD22  LEU  21          1HD2      LEU  21  -1.340  -4.053  -2.493
  171   HD23  LEU  21          2HD2      LEU  21  -2.433  -5.201  -3.302
  172    H    GLY  22           H        GLY  22  -5.887  -6.336  -2.387
  173    HA2  GLY  22           2HA      GLY  22  -5.960  -3.882  -3.699
  174    HA3  GLY  22           1HA      GLY  22  -7.239  -5.073  -3.773
  175    H    GLY  23           H        GLY  23  -8.375  -5.115  -1.309
  176    HA2  GLY  23           2HA      GLY  23  -9.882  -2.709  -0.959
  177    HA3  GLY  23           1HA      GLY  23  -9.779  -4.049   0.150
  178    H    HIS  24           H        HIS  24  -6.835  -3.900   0.705
  179    HA   HIS  24           HA       HIS  24  -7.018  -1.968   2.745
  180    HB2  HIS  24           2HB      HIS  24  -5.771  -3.809   3.227
  181    HB3  HIS  24           1HB      HIS  24  -4.837  -3.706   1.701
  182    HD1  HIS  24           1HD      HIS  24  -4.295  -3.375   5.041
  183    HD2  HIS  24           2HD      HIS  24  -3.459  -0.877   1.818
  184    HE1  HIS  24           1HE      HIS  24  -2.367  -1.777   5.832
  185    H    MET  25           H        MET  25  -5.353  -2.014  -0.452
  186    HA   MET  25           HA       MET  25  -4.190   0.533  -0.507
  187    HB2  MET  25           2HB      MET  25  -4.075  -1.540  -2.137
  188    HB3  MET  25           1HB      MET  25  -5.440  -0.804  -2.923
  189    HG2  MET  25           2HG      MET  25  -4.218   1.059  -3.612
  190    HG3  MET  25           1HG      MET  25  -2.995   0.864  -2.363
  191    HE1  MET  25           3HE      MET  25  -1.395   1.372  -4.549
  192    HE2  MET  25           1HE      MET  25  -1.300   0.277  -5.950
  193    HE3  MET  25           2HE      MET  25  -2.774   1.232  -5.665
  194    H    ASN  26           H        ASN  26  -7.543  -0.393  -1.525
  195    HA   ASN  26           HA       ASN  26  -8.389   2.266  -2.054
  196    HB2  ASN  26           2HB      ASN  26  -9.508  -0.009  -2.763
  197    HB3  ASN  26           1HB      ASN  26 -10.185  -0.066  -1.163
  198   HD21  ASN  26          2HD2      ASN  26 -12.250  -0.017  -1.958
  199   HD22  ASN  26          1HD2      ASN  26 -12.965   1.483  -2.607
  200    H    VAL  27           H        VAL  27  -8.375   0.549   1.104
  201    HA   VAL  27           HA       VAL  27  -9.763   2.538   2.501
  202    HB   VAL  27           HB       VAL  27  -9.088   0.194   3.144
  203   HG11  VAL  27          1HG1      VAL  27  -7.497   0.110   4.994
  204   HG12  VAL  27          2HG1      VAL  27  -6.678   0.476   3.457
  205   HG13  VAL  27          3HG1      VAL  27  -6.976   1.774   4.637
  206   HG21  VAL  27          3HG2      VAL  27 -10.756   1.547   4.157
  207   HG22  VAL  27          1HG2      VAL  27  -9.753   0.784   5.413
  208   HG23  VAL  27          2HG2      VAL  27  -9.525   2.504   5.015
  209    H    HIS  28           H        HIS  28  -6.493   2.768   1.162
  210    HA   HIS  28           HA       HIS  28  -5.368   4.636   2.834
  211    HB2  HIS  28           2HB      HIS  28  -5.060   4.211  -0.111
  212    HB3  HIS  28           1HB      HIS  28  -4.046   5.309   0.876
  213    HD1  HIS  28           1HD      HIS  28  -4.017   3.315   3.312
  214    HD2  HIS  28           2HD      HIS  28  -2.943   2.450  -0.615
  215    HE1  HIS  28           1HE      HIS  28  -2.380   1.264   3.432
  216    H    ARG  29           H        ARG  29  -6.908   6.227   3.569
  217    HA   ARG  29           HA       ARG  29  -6.723   8.784   2.170
  218    HB2  ARG  29           2HB      ARG  29  -9.147   7.175   1.776
  219    HB3  ARG  29           1HB      ARG  29  -9.402   8.818   2.443
  220    HG2  ARG  29           2HG      ARG  29  -8.406   9.839   0.550
  221    HG3  ARG  29           1HG      ARG  29  -7.757   8.287  -0.041
  222    HD2  ARG  29           2HD      ARG  29 -10.136   7.461  -0.319
  223    HD3  ARG  29           1HD      ARG  29 -10.719   9.059   0.147
  224    HE   ARG  29           HE       ARG  29  -8.873   9.372  -1.942
  225   HH11  ARG  29          2HH2      ARG  29 -11.776   7.405  -1.680
  226   HH12  ARG  29          1HH2      ARG  29 -12.360   7.859  -3.304
  227   HH21  ARG  29          2HH1      ARG  29  -9.600   9.872  -4.054
  228   HH22  ARG  29          1HH1      ARG  29 -11.161   9.211  -4.610
  229    H    ARG  30           H        ARG  30  -5.587   8.844   4.269
  230    HA   ARG  30           HA       ARG  30  -6.845  10.755   5.963
  231    HB2  ARG  30           2HB      ARG  30  -7.295   7.979   6.820
  232    HB3  ARG  30           1HB      ARG  30  -6.473   9.002   8.009
  233    HG2  ARG  30           2HG      ARG  30  -8.338  10.294   8.353
  234    HG3  ARG  30           1HG      ARG  30  -8.754  10.332   6.639
  235    HD2  ARG  30           2HD      ARG  30 -10.394   8.815   7.063
  236    HD3  ARG  30           1HD      ARG  30  -9.171   7.631   7.487
  237    HE   ARG  30           HE       ARG  30 -10.895   9.061   9.224
  238   HH11  ARG  30          2HH2      ARG  30  -7.735   7.427   9.178
  239   HH12  ARG  30          1HH2      ARG  30  -7.740   7.201  10.947
  240   HH21  ARG  30          2HH1      ARG  30 -10.864   8.710  11.446
  241   HH22  ARG  30          1HH1      ARG  30  -9.458   7.903  12.191
  242    H    ASP  31           H        ASP  31  -5.414  11.804   7.173
  243    HA   ASP  31           HA       ASP  31  -3.392  12.750   7.499
  244    HB2  ASP  31           2HB      ASP  31  -3.047   9.984   8.562
  245    HB3  ASP  31           1HB      ASP  31  -1.672  11.072   8.542
  246    H    ARG  32           H        ARG  32  -3.786  11.485   4.724
  247    HA   ARG  32           HA       ARG  32  -0.967  11.483   3.823
  248    HB2  ARG  32           2HB      ARG  32  -2.086   9.125   3.931
  249    HB3  ARG  32           1HB      ARG  32  -3.152   9.693   2.654
  250    HG2  ARG  32           2HG      ARG  32  -1.379   8.593   1.539
  251    HG3  ARG  32           1HG      ARG  32  -1.008  10.312   1.353
  252    HD2  ARG  32           2HD      ARG  32   0.252   9.728   3.744
  253    HD3  ARG  32           1HD      ARG  32   0.455   8.218   2.843
  254    HE   ARG  32           HE       ARG  32   1.027  10.387   1.133
  255   HH11  ARG  32          2HH2      ARG  32   2.486   8.274   3.540
  256   HH12  ARG  32          1HH2      ARG  32   4.130   8.905   3.254
  257   HH21  ARG  32          2HH1      ARG  32   3.160  11.089   0.699
  258   HH22  ARG  32          1HH1      ARG  32   4.500  10.450   1.688
  259    H    ALA  33           H        ALA  33  -0.751  13.238   2.692
  260    HA   ALA  33           HA       ALA  33  -2.342  13.893   0.373
  261    HB1  ALA  33           1HB      ALA  33  -2.939  16.166   1.122
  262    HB2  ALA  33           2HB      ALA  33  -3.748  14.930   2.114
  263    HB3  ALA  33           3HB      ALA  33  -2.329  15.795   2.752
  264    H    ARG  34           H        ARG  34  -1.379  15.820  -0.721
  265    HA   ARG  34           HA       ARG  34   0.285  17.087  -1.613
  266    HB2  ARG  34           2HB      ARG  34   0.483  17.842   0.841
  267    HB3  ARG  34           1HB      ARG  34   1.889  16.723   0.915
  268    HG2  ARG  34           2HG      ARG  34   1.682  18.983  -1.069
  269    HG3  ARG  34           1HG      ARG  34   2.394  19.167   0.565
  270    HD2  ARG  34           2HD      ARG  34   3.649  16.899  -0.662
  271    HD3  ARG  34           1HD      ARG  34   3.661  18.197  -1.845
  272    HE   ARG  34           HE       ARG  34   5.091  19.376  -0.560
  273   HH11  ARG  34          2HH2      ARG  34   3.938  16.673   1.451
  274   HH12  ARG  34          1HH2      ARG  34   5.162  16.990   2.711
  275   HH21  ARG  34          2HH1      ARG  34   6.603  19.730   1.069
  276   HH22  ARG  34          1HH1      ARG  34   6.622  18.665   2.500
  277    H    LEU  35           H        LEU  35   1.668  14.323   0.095
  278    HA   LEU  35           HA       LEU  35   2.984  12.553  -0.624
  279    HB2  LEU  35           2HB      LEU  35   2.741  13.584  -3.412
  280    HB3  LEU  35           1HB      LEU  35   3.224  11.957  -2.837
  281    HG   LEU  35           HG       LEU  35   0.471  13.040  -2.182
  282   HD11  LEU  35          1HD1      LEU  35  -0.363  12.034  -4.242
  283   HD12  LEU  35          2HD1      LEU  35   0.761  13.369  -4.592
  284   HD13  LEU  35          3HD1      LEU  35   1.302  11.682  -4.761
  285   HD21  LEU  35          3HD2      LEU  35   1.257  10.983  -1.073
  286   HD22  LEU  35          1HD2      LEU  35  -0.092  10.669  -2.191
  287   HD23  LEU  35          2HD2      LEU  35   1.572  10.254  -2.665
  288    H    ARG  36           H        ARG  36   4.792  13.158   0.527
  289    HA   ARG  36           HA       ARG  36   6.718  15.038  -0.632
  290    HB2  ARG  36           2HB      ARG  36   6.222  14.977   1.879
  291    HB3  ARG  36           1HB      ARG  36   6.843  13.344   1.939
  292    HG2  ARG  36           2HG      ARG  36   8.745  15.180   0.656
  293    HG3  ARG  36           1HG      ARG  36   8.318  15.663   2.294
  294    HD2  ARG  36           2HD      ARG  36   9.144  13.647   3.236
  295    HD3  ARG  36           1HD      ARG  36   9.044  12.771   1.720
  296    HE   ARG  36           HE       ARG  36  11.123  13.399   1.290
  297   HH11  ARG  36          2HH2      ARG  36   9.967  15.878   3.568
  298   HH12  ARG  36          1HH2      ARG  36  11.534  16.730   3.545
  299   HH21  ARG  36          2HH1      ARG  36  13.070  14.510   1.315
  300   HH22  ARG  36          1HH1      ARG  36  13.233  15.979   2.313
  301    H    LEU  37           H        LEU  37   7.051  14.022  -2.564
  302    HA   LEU  37           HA       LEU  37   8.233  12.822  -4.059
  303    HB2  LEU  37           2HB      LEU  37  10.081  13.562  -1.989
  304    HB3  LEU  37           1HB      LEU  37  10.618  12.204  -3.038
  305    HG   LEU  37           HG       LEU  37  11.440  14.361  -3.946
  306   HD11  LEU  37          1HD1      LEU  37  10.673  14.188  -6.168
  307   HD12  LEU  37          2HD1      LEU  37  11.037  12.595  -5.463
  308   HD13  LEU  37          3HD1      LEU  37   9.347  13.116  -5.658
  309   HD21  LEU  37          3HD2      LEU  37   9.730  15.855  -3.012
  310   HD22  LEU  37          1HD2      LEU  37   9.942  16.051  -4.768
  311   HD23  LEU  37          2HD2      LEU  37   8.534  15.165  -4.136
  312    HN1  NH2  38           3HN      NH2  38   6.930   9.673  -2.717
  313    HN2  NH2  38           2HN      NH2  38   6.547  11.111  -3.603
  Start of MODEL   19
    1    H1   ACE   0           2H1      ACE   0  12.588  -5.983 -12.519
    2    H2   ACE   0           3H1      ACE   0  11.710  -6.452 -13.993
    3    H3   ACE   0           1H1      ACE   0  11.646  -4.770 -13.416
    4    H    TRP   1           H        TRP   1  11.089  -8.079 -12.206
    5    HA   TRP   1           HA       TRP   1   9.204  -7.329 -10.185
    6    HB2  TRP   1           2HB      TRP   1   7.939  -6.671 -12.304
    7    HB3  TRP   1           1HB      TRP   1   7.862  -8.428 -12.648
    8    HD1  TRP   1           HD       TRP   1   6.373  -9.856 -11.038
    9    HE1  TRP   1           1HE      TRP   1   4.394  -9.288  -9.338
   10    HE3  TRP   1           3HE      TRP   1   7.291  -4.968 -10.483
   11    HZ2  TRP   1           2HZ      TRP   1   3.486  -6.928  -8.049
   12    HZ3  TRP   1           3HZ      TRP   1   5.659  -3.512  -9.576
   13    HH2  TRP   1           HH       TRP   1   3.729  -4.440  -8.170
   14    HA   PRO   2           HA       PRO   2  11.029 -11.608 -10.219
   15    HB2  PRO   2           2HB      PRO   2  12.361 -11.465  -7.892
   16    HB3  PRO   2           1HB      PRO   2  13.038 -10.724  -9.341
   17    HG2  PRO   2           2HG      PRO   2  11.470  -9.375  -7.086
   18    HG3  PRO   2           1HG      PRO   2  12.991  -8.858  -7.807
   19    HD2  PRO   2           1HD      PRO   2  10.516  -7.861  -8.684
   20    HD3  PRO   2           2HD      PRO   2  11.904  -8.084  -9.838
   21    HA   PRO   3           HA       PRO   3   7.986 -13.292  -7.416
   22    HB2  PRO   3           2HB      PRO   3   9.099 -15.664  -6.619
   23    HB3  PRO   3           1HB      PRO   3   8.413 -15.414  -8.224
   24    HG2  PRO   3           2HG      PRO   3  11.343 -15.207  -7.365
   25    HG3  PRO   3           1HG      PRO   3  10.677 -16.056  -8.759
   26    HD2  PRO   3           1HD      PRO   3  11.684 -13.451  -8.996
   27    HD3  PRO   3           2HD      PRO   3  10.202 -13.947  -9.947
   28    H    ARG   4           H        ARG   4  11.291 -12.909  -6.189
   29    HA   ARG   4           HA       ARG   4  11.063 -13.109  -3.497
   30    HB2  ARG   4           2HB      ARG   4  12.508 -11.305  -5.440
   31    HB3  ARG   4           1HB      ARG   4  12.656 -10.962  -3.685
   32    HG2  ARG   4           2HG      ARG   4  13.320 -13.705  -4.802
   33    HG3  ARG   4           1HG      ARG   4  14.506 -12.410  -4.816
   34    HD2  ARG   4           2HD      ARG   4  14.072 -12.139  -2.312
   35    HD3  ARG   4           1HD      ARG   4  13.147 -13.647  -2.405
   36    HE   ARG   4           HE       ARG   4  16.012 -13.307  -2.572
   37   HH11  ARG   4          2HH2      ARG   4  13.357 -15.613  -3.035
   38   HH12  ARG   4          1HH2      ARG   4  14.477 -16.988  -3.223
   39   HH21  ARG   4          2HH1      ARG   4  17.382 -15.091  -2.754
   40   HH22  ARG   4          1HH1      ARG   4  16.684 -16.702  -3.065
   41    H    SER   5           H        SER   5  11.418 -10.980  -2.021
   42    HA   SER   5           HA       SER   5   8.897  -9.724  -1.502
   43    HB2  SER   5           2HB      SER   5  10.275  -8.315   0.000
   44    HB3  SER   5           1HB      SER   5  10.489 -10.049   0.266
   45    HG   SER   5           HG       SER   5  12.506  -8.735   0.169
   46    H    TYR   6           H        TYR   6   8.264  -7.679  -1.638
   47    HA   TYR   6           HA       TYR   6   9.433  -6.093  -3.945
   48    HB2  TYR   6           1HB      TYR   6   6.587  -6.334  -3.173
   49    HB3  TYR   6           2HB      TYR   6   7.174  -5.496  -4.446
   50    HD1  TYR   6           1HD      TYR   6   6.620  -8.859  -3.140
   51    HD2  TYR   6           2HD      TYR   6   7.582  -6.474  -6.584
   52    HE1  TYR   6           1HE      TYR   6   6.302 -10.825  -4.592
   53    HE2  TYR   6           2HE      TYR   6   7.193  -8.424  -8.042
   54    HH   TYR   6           HH       TYR   6   7.053 -11.175  -7.781
   55    H    THR   7           H        THR   7   9.516  -3.952  -3.853
   56    HA   THR   7           HA       THR   7   9.383  -2.595  -1.240
   57    HB   THR   7           HB       THR   7  10.638  -2.041  -3.904
   58    HG1  THR   7           1HG      THR   7  11.609  -2.596  -1.226
   59   HG21  THR   7          3HG2      THR   7  10.843  -0.294  -1.437
   60   HG22  THR   7          1HG2      THR   7  11.821  -0.151  -2.917
   61   HG23  THR   7          2HG2      THR   7  10.068   0.148  -2.977
   62    H    CYS   8           H        CYS   8   8.378  -0.524  -0.976
   63    HA   CYS   8           HA       CYS   8   5.854  -0.357  -2.448
   64    HB2  CYS   8           2HB      CYS   8   6.357  -0.409   0.252
   65    HB3  CYS   8           1HB      CYS   8   6.124   1.319  -0.074
   66    H    SER   9           H        SER   9   8.955   1.054  -2.249
   67    HA   SER   9           HA       SER   9  10.053   2.891  -3.034
   68    HB2  SER   9           2HB      SER   9   9.433   4.309  -4.525
   69    HB3  SER   9           1HB      SER   9   8.545   2.808  -4.934
   70    HG   SER   9           HG       SER   9   6.722   3.876  -4.795
   71    H    PHE  10           H        PHE  10   6.873   4.016  -1.866
   72    HA   PHE  10           HA       PHE  10   7.731   6.254  -0.538
   73    HB2  PHE  10           1HB      PHE  10   5.442   4.743  -0.938
   74    HB3  PHE  10           2HB      PHE  10   5.496   4.984   0.676
   75    HD1  PHE  10           2HD      PHE  10   5.804   7.496   1.483
   76    HD2  PHE  10           1HD      PHE  10   4.114   6.054  -2.186
   77    HE1  PHE  10           2HE      PHE  10   4.333   9.493   1.369
   78    HE2  PHE  10           1HE      PHE  10   2.616   8.018  -2.281
   79    HZ   PHE  10           HZ       PHE  10   2.786   9.787  -0.532
   80    H    CYS  11           H        CYS  11   7.254   2.917   1.089
   81    HA   CYS  11           HA       CYS  11   8.690   4.171   3.316
   82    HB2  CYS  11           2HB      CYS  11   7.952   2.277   4.646
   83    HB3  CYS  11           1HB      CYS  11   6.572   3.093   3.886
   84    H    LYS  12           H        LYS  12   9.906   3.203   0.582
   85    HA   LYS  12           HA       LYS  12  10.928   1.242  -0.381
   86    HB2  LYS  12           2HB      LYS  12  13.230   1.644   0.082
   87    HB3  LYS  12           1HB      LYS  12  12.392   3.229   0.202
   88    HG2  LYS  12           2HG      LYS  12  12.549   3.164   2.628
   89    HG3  LYS  12           1HG      LYS  12  13.238   1.536   2.584
   90    HD2  LYS  12           2HD      LYS  12  15.021   2.808   0.946
   91    HD3  LYS  12           1HD      LYS  12  14.546   4.163   1.951
   92    HE2  LYS  12           2HE      LYS  12  15.091   1.670   3.427
   93    HE3  LYS  12           1HE      LYS  12  16.482   2.395   2.560
   94    HZ1  LYS  12           3HZ      LYS  12  14.780   3.739   4.546
   95    HZ2  LYS  12           1HZ      LYS  12  16.332   3.146   4.802
   96    HZ3  LYS  12           2HZ      LYS  12  16.085   4.420   3.733
   97    H    ARG  13           H        ARG  13   9.471   0.277   2.115
   98    HA   ARG  13           HA       ARG  13  11.146  -1.779   3.127
   99    HB2  ARG  13           2HB      ARG  13   9.058  -0.479   4.100
  100    HB3  ARG  13           1HB      ARG  13   8.134  -1.781   3.287
  101    HG2  ARG  13           2HG      ARG  13   8.395  -2.911   5.240
  102    HG3  ARG  13           1HG      ARG  13  10.050  -3.197   4.701
  103    HD2  ARG  13           2HD      ARG  13  10.725  -2.112   6.568
  104    HD3  ARG  13           1HD      ARG  13  10.136  -0.618   5.835
  105    HE   ARG  13           HE       ARG  13   8.342  -0.641   7.234
  106   HH11  ARG  13          2HH2      ARG  13   9.948  -3.791   7.550
  107   HH12  ARG  13          1HH2      ARG  13   8.887  -4.295   8.892
  108   HH21  ARG  13          2HH1      ARG  13   7.037  -1.328   8.978
  109   HH22  ARG  13          1HH1      ARG  13   7.300  -2.951   9.672
  110    H    GLU  14           H        GLU  14  10.841  -3.993   3.009
  111    HA   GLU  14           HA       GLU  14   9.992  -4.972   0.333
  112    HB2  GLU  14           2HB      GLU  14  12.192  -5.828   2.258
  113    HB3  GLU  14           1HB      GLU  14  11.674  -6.822   0.903
  114    HG2  GLU  14           2HG      GLU  14  12.444  -5.271  -0.695
  115    HG3  GLU  14           1HG      GLU  14  12.468  -3.935   0.465
  116    H    PHE  15           H        PHE  15   8.178  -5.985   0.365
  117    HA   PHE  15           HA       PHE  15   7.367  -7.631   2.723
  118    HB2  PHE  15           1HB      PHE  15   5.646  -6.344   0.710
  119    HB3  PHE  15           2HB      PHE  15   5.178  -7.047   2.108
  120    HD1  PHE  15           2HD      PHE  15   6.744  -4.094   0.666
  121    HD2  PHE  15           1HD      PHE  15   4.948  -5.873   4.144
  122    HE1  PHE  15           2HE      PHE  15   6.469  -1.854   1.670
  123    HE2  PHE  15           1HE      PHE  15   4.700  -3.625   5.160
  124    HZ   PHE  15           HZ       PHE  15   5.420  -1.608   3.901
  125    H    ARG  16           H        ARG  16   6.112  -9.445   2.377
  126    HA   ARG  16           HA       ARG  16   6.694 -10.929  -0.109
  127    HB2  ARG  16           2HB      ARG  16   6.524 -12.948   1.575
  128    HB3  ARG  16           1HB      ARG  16   7.858 -11.887   1.895
  129    HG2  ARG  16           2HG      ARG  16   6.329 -10.701   3.630
  130    HG3  ARG  16           1HG      ARG  16   5.235 -12.026   3.426
  131    HD2  ARG  16           2HD      ARG  16   8.118 -12.656   4.048
  132    HD3  ARG  16           1HD      ARG  16   7.058 -12.100   5.304
  133    HE   ARG  16           HE       ARG  16   7.091 -14.631   4.044
  134   HH11  ARG  16          2HH2      ARG  16   4.717 -12.410   5.492
  135   HH12  ARG  16          1HH2      ARG  16   3.753 -13.756   6.158
  136   HH21  ARG  16          2HH1      ARG  16   5.820 -16.284   4.910
  137   HH22  ARG  16          1HH1      ARG  16   4.354 -15.868   5.837
  138    H    SER  17           H        SER  17   4.681  -9.571  -0.789
  139    HA   SER  17           HA       SER  17   2.369 -11.356  -0.953
  140    HB2  SER  17           2HB      SER  17   2.134  -8.855   0.739
  141    HB3  SER  17           1HB      SER  17   0.772  -9.710   0.019
  142    HG   SER  17           HG       SER  17   2.595 -11.335   1.437
  143    H    ALA  18           H        ALA  18   0.752 -10.625  -2.418
  144    HA   ALA  18           HA       ALA  18   1.521  -8.271  -4.042
  145    HB1  ALA  18           1HB      ALA  18   0.405  -9.486  -5.886
  146    HB2  ALA  18           2HB      ALA  18   1.755 -10.402  -5.174
  147    HB3  ALA  18           3HB      ALA  18   0.076 -10.836  -4.773
  148    H    GLN  19           H        GLN  19  -0.358  -8.367  -1.631
  149    HA   GLN  19           HA       GLN  19  -2.698  -6.971  -2.809
  150    HB2  GLN  19           2HB      GLN  19  -4.187  -8.180  -1.225
  151    HB3  GLN  19           1HB      GLN  19  -3.561  -9.194  -2.564
  152    HG2  GLN  19           2HG      GLN  19  -1.970 -10.293  -0.999
  153    HG3  GLN  19           1HG      GLN  19  -2.458  -9.250   0.301
  154   HE21  GLN  19          2HE2      GLN  19  -2.465 -12.160  -0.073
  155   HE22  GLN  19          1HE2      GLN  19  -4.139 -12.657   0.294
  156    H    ALA  20           H        ALA  20  -1.612  -7.928   0.471
  157    HA   ALA  20           HA       ALA  20  -2.029  -5.712   1.922
  158    HB1  ALA  20           1HB      ALA  20  -0.074  -6.292   3.209
  159    HB2  ALA  20           2HB      ALA  20  -0.981  -7.749   2.739
  160    HB3  ALA  20           3HB      ALA  20   0.522  -7.323   1.886
  161    H    LEU  21           H        LEU  21   0.649  -5.953  -0.465
  162    HA   LEU  21           HA       LEU  21   1.840  -3.465   0.129
  163    HB2  LEU  21           2HB      LEU  21   2.028  -5.294  -2.277
  164    HB3  LEU  21           1HB      LEU  21   2.859  -3.760  -2.217
  165    HG   LEU  21           HG       LEU  21   3.768  -4.580   0.067
  166   HD11  LEU  21          1HD1      LEU  21   3.983  -6.997   0.254
  167   HD12  LEU  21          2HD1      LEU  21   2.288  -6.469   0.363
  168   HD13  LEU  21          3HD1      LEU  21   2.895  -7.207  -1.138
  169   HD21  LEU  21          3HD2      LEU  21   5.076  -4.258  -2.010
  170   HD22  LEU  21          1HD2      LEU  21   5.599  -5.725  -1.147
  171   HD23  LEU  21          2HD2      LEU  21   4.559  -5.861  -2.585
  172    H    GLY  22           H        GLY  22  -0.426  -4.330  -2.657
  173    HA2  GLY  22           2HA      GLY  22  -0.609  -1.794  -3.808
  174    HA3  GLY  22           1HA      GLY  22  -1.873  -3.020  -3.823
  175    H    GLY  23           H        GLY  23  -2.739  -3.271  -1.261
  176    HA2  GLY  23           2HA      GLY  23  -4.291  -0.982  -0.607
  177    HA3  GLY  23           1HA      GLY  23  -3.956  -2.318   0.453
  178    H    HIS  24           H        HIS  24  -1.113  -2.074   0.771
  179    HA   HIS  24           HA       HIS  24  -1.134  -0.126   2.809
  180    HB2  HIS  24           2HB      HIS  24   0.067  -2.014   3.237
  181    HB3  HIS  24           1HB      HIS  24   0.936  -1.942   1.672
  182    HD1  HIS  24           1HD      HIS  24   1.431  -1.403   5.078
  183    HD2  HIS  24           2HD      HIS  24   2.617   0.610   1.633
  184    HE1  HIS  24           1HE      HIS  24   3.495   0.071   5.761
  185    H    MET  25           H        MET  25   0.408  -0.240  -0.465
  186    HA   MET  25           HA       MET  25   1.651   2.289  -0.514
  187    HB2  MET  25           2HB      MET  25   1.585   0.139  -2.174
  188    HB3  MET  25           1HB      MET  25   0.455   1.162  -3.014
  189    HG2  MET  25           2HG      MET  25   3.108   2.207  -2.093
  190    HG3  MET  25           1HG      MET  25   2.890   1.297  -3.626
  191    HE1  MET  25           3HE      MET  25   0.794   2.109  -5.282
  192    HE2  MET  25           1HE      MET  25   1.312   3.639  -6.029
  193    HE3  MET  25           2HE      MET  25   2.495   2.337  -5.755
  194    H    ASN  26           H        ASN  26  -1.733   1.373  -1.413
  195    HA   ASN  26           HA       ASN  26  -2.562   4.006  -2.099
  196    HB2  ASN  26           2HB      ASN  26  -3.722   1.738  -2.620
  197    HB3  ASN  26           1HB      ASN  26  -4.323   1.775  -0.970
  198   HD21  ASN  26          2HD2      ASN  26  -4.203   3.616  -4.020
  199   HD22  ASN  26          1HD2      ASN  26  -5.772   4.433  -3.787
  200    H    VAL  27           H        VAL  27  -2.652   2.425   1.158
  201    HA   VAL  27           HA       VAL  27  -3.842   4.584   2.456
  202    HB   VAL  27           HB       VAL  27  -3.452   2.268   3.244
  203   HG11  VAL  27          1HG1      VAL  27  -1.745   2.012   4.974
  204   HG12  VAL  27          2HG1      VAL  27  -1.006   2.185   3.364
  205   HG13  VAL  27          3HG1      VAL  27  -1.009   3.560   4.495
  206   HG21  VAL  27          3HG2      VAL  27  -4.818   3.888   4.292
  207   HG22  VAL  27          1HG2      VAL  27  -3.852   3.027   5.514
  208   HG23  VAL  27          2HG2      VAL  27  -3.403   4.678   5.026
  209    H    HIS  28           H        HIS  28  -0.535   4.491   1.139
  210    HA   HIS  28           HA       HIS  28   0.763   6.282   2.739
  211    HB2  HIS  28           2HB      HIS  28   0.918   5.793  -0.203
  212    HB3  HIS  28           1HB      HIS  28   2.008   6.907   0.680
  213    HD1  HIS  28           1HD      HIS  28   2.023   4.949   3.195
  214    HD2  HIS  28           2HD      HIS  28   3.064   4.039  -0.732
  215    HE1  HIS  28           1HE      HIS  28   3.641   2.884   3.323
  216    H    ARG  29           H        ARG  29   0.801   8.521   2.994
  217    HA   ARG  29           HA       ARG  29  -0.251  10.587   3.245
  218    HB2  ARG  29           2HB      ARG  29  -0.096  11.939   1.339
  219    HB3  ARG  29           1HB      ARG  29   1.231  10.737   1.182
  220    HG2  ARG  29           2HG      ARG  29   0.025   9.572  -0.593
  221    HG3  ARG  29           1HG      ARG  29  -1.418  10.510  -0.332
  222    HD2  ARG  29           2HD      ARG  29  -0.664  11.804  -1.998
  223    HD3  ARG  29           1HD      ARG  29   0.468  12.484  -0.839
  224    HE   ARG  29           HE       ARG  29   1.366  10.035  -2.085
  225   HH11  ARG  29          2HH2      ARG  29   1.148  13.543  -2.537
  226   HH12  ARG  29          1HH2      ARG  29   2.540  13.583  -3.653
  227   HH21  ARG  29          2HH1      ARG  29   3.211  10.151  -3.451
  228   HH22  ARG  29          1HH1      ARG  29   3.669  11.726  -4.153
  229    H    ARG  30           H        ARG  30  -2.173   8.272   3.123
  230    HA   ARG  30           HA       ARG  30  -4.587   9.824   2.337
  231    HB2  ARG  30           2HB      ARG  30  -3.567   7.442   1.235
  232    HB3  ARG  30           1HB      ARG  30  -4.915   6.964   2.311
  233    HG2  ARG  30           2HG      ARG  30  -6.211   8.984   1.159
  234    HG3  ARG  30           1HG      ARG  30  -5.001   8.868  -0.091
  235    HD2  ARG  30           2HD      ARG  30  -5.573   6.592  -0.528
  236    HD3  ARG  30           1HD      ARG  30  -6.752   6.617   0.837
  237    HE   ARG  30           HE       ARG  30  -7.106   8.805  -1.009
  238   HH11  ARG  30          2HH2      ARG  30  -8.036   5.396  -0.637
  239   HH12  ARG  30          1HH2      ARG  30  -9.480   5.593  -1.665
  240   HH21  ARG  30          2HH1      ARG  30  -8.927   8.997  -2.320
  241   HH22  ARG  30          1HH1      ARG  30  -9.970   7.576  -2.592
  242    H    ASP  31           H        ASP  31  -6.274   9.785   3.501
  243    HA   ASP  31           HA       ASP  31  -6.865   8.275   5.814
  244    HB2  ASP  31           2HB      ASP  31  -5.100  10.640   6.232
  245    HB3  ASP  31           1HB      ASP  31  -6.530  10.575   7.258
  246    H    ARG  32           H        ARG  32  -8.719   9.166   6.915
  247    HA   ARG  32           HA       ARG  32 -10.897   9.995   6.981
  248    HB2  ARG  32           2HB      ARG  32  -9.923  12.329   5.310
  249    HB3  ARG  32           1HB      ARG  32 -11.354  12.243   6.307
  250    HG2  ARG  32           2HG      ARG  32  -9.747  11.912   8.332
  251    HG3  ARG  32           1HG      ARG  32  -8.464  12.367   7.261
  252    HD2  ARG  32           2HD      ARG  32 -10.884  14.104   7.884
  253    HD3  ARG  32           1HD      ARG  32  -9.286  14.294   8.532
  254    HE   ARG  32           HE       ARG  32  -8.759  14.463   5.942
  255   HH11  ARG  32          2HH2      ARG  32 -11.586  15.770   7.630
  256   HH12  ARG  32          1HH2      ARG  32 -11.600  17.262   6.651
  257   HH21  ARG  32          2HH1      ARG  32  -8.840  16.380   4.689
  258   HH22  ARG  32          1HH1      ARG  32 -10.099  17.594   5.041
  259    H    ALA  33           H        ALA  33 -12.437   8.978   6.232
  260    HA   ALA  33           HA       ALA  33 -12.592   8.504   3.293
  261    HB1  ALA  33           1HB      ALA  33 -13.737   6.414   3.881
  262    HB2  ALA  33           2HB      ALA  33 -12.093   6.463   4.560
  263    HB3  ALA  33           3HB      ALA  33 -13.498   6.763   5.610
  264    H    ARG  34           H        ARG  34 -14.485   8.923   2.293
  265    HA   ARG  34           HA       ARG  34 -16.468  10.566   3.596
  266    HB2  ARG  34           2HB      ARG  34 -15.714  10.804   1.217
  267    HB3  ARG  34           1HB      ARG  34 -16.522   9.246   0.858
  268    HG2  ARG  34           2HG      ARG  34 -17.972  11.141   0.174
  269    HG3  ARG  34           1HG      ARG  34 -18.719  10.282   1.505
  270    HD2  ARG  34           2HD      ARG  34 -17.869  11.988   3.090
  271    HD3  ARG  34           1HD      ARG  34 -17.129  12.859   1.740
  272    HE   ARG  34           HE       ARG  34 -19.877  12.358   1.204
  273   HH11  ARG  34          2HH2      ARG  34 -18.114  14.183   3.655
  274   HH12  ARG  34          1HH2      ARG  34 -19.263  15.547   3.604
  275   HH21  ARG  34          2HH1      ARG  34 -21.349  14.093   1.199
  276   HH22  ARG  34          1HH1      ARG  34 -21.041  15.494   2.259
  277    H    LEU  35           H        LEU  35 -16.730   7.245   2.291
  278    HA   LEU  35           HA       LEU  35 -18.556   5.866   2.198
  279    HB2  LEU  35           2HB      LEU  35 -18.856   4.784   4.301
  280    HB3  LEU  35           1HB      LEU  35 -17.148   5.052   3.816
  281    HG   LEU  35           HG       LEU  35 -17.819   7.229   5.478
  282   HD11  LEU  35          1HD1      LEU  35 -18.590   6.184   7.532
  283   HD12  LEU  35          2HD1      LEU  35 -19.810   6.067   6.242
  284   HD13  LEU  35          3HD1      LEU  35 -18.831   4.645   6.672
  285   HD21  LEU  35          3HD2      LEU  35 -15.636   6.081   5.299
  286   HD22  LEU  35          1HD2      LEU  35 -16.186   6.176   6.989
  287   HD23  LEU  35          2HD2      LEU  35 -16.329   4.646   6.091
  288    H    ARG  36           H        ARG  36 -19.907   7.925   1.449
  289    HA   ARG  36           HA       ARG  36 -21.680   9.292   3.041
  290    HB2  ARG  36           2HB      ARG  36 -21.178   9.587   0.510
  291    HB3  ARG  36           1HB      ARG  36 -22.336   8.298   0.216
  292    HG2  ARG  36           2HG      ARG  36 -24.096   9.682   1.437
  293    HG3  ARG  36           1HG      ARG  36 -22.941  10.977   1.566
  294    HD2  ARG  36           2HD      ARG  36 -22.757  11.125  -0.831
  295    HD3  ARG  36           1HD      ARG  36 -23.884   9.736  -1.003
  296    HE   ARG  36           HE       ARG  36 -25.428  11.207   0.451
  297   HH11  ARG  36          2HH2      ARG  36 -23.233  12.703  -1.921
  298   HH12  ARG  36          1HH2      ARG  36 -24.289  14.129  -2.104
  299   HH21  ARG  36          2HH1      ARG  36 -26.731  13.009   0.144
  300   HH22  ARG  36          1HH1      ARG  36 -26.204  14.296  -0.973
  301    H    LEU  37           H        LEU  37 -22.446   6.143   1.534
  302    HA   LEU  37           HA       LEU  37 -23.989   5.228   3.793
  303    HB2  LEU  37           2HB      LEU  37 -25.574   6.881   2.749
  304    HB3  LEU  37           1HB      LEU  37 -25.620   5.783   1.333
  305    HG   LEU  37           HG       LEU  37 -26.371   3.955   2.902
  306   HD11  LEU  37          1HD1      LEU  37 -27.309   4.569   5.064
  307   HD12  LEU  37          2HD1      LEU  37 -25.554   4.858   5.001
  308   HD13  LEU  37          3HD1      LEU  37 -26.686   6.225   4.874
  309   HD21  LEU  37          3HD2      LEU  37 -27.946   5.224   1.468
  310   HD22  LEU  37          1HD2      LEU  37 -28.694   4.811   3.029
  311   HD23  LEU  37          2HD2      LEU  37 -28.101   6.464   2.735
  312    HN1  NH2  38           3HN      NH2  38 -21.828   4.164   1.524
  313    HN2  NH2  38           2HN      NH2  38 -22.893   5.352   0.848
  Start of MODEL   20
    1    H1   ACE   0           2H1      ACE   0  15.509  -4.314  -6.855
    2    H2   ACE   0           3H1      ACE   0  14.441  -3.152  -7.676
    3    H3   ACE   0           1H1      ACE   0  14.734  -3.009  -5.927
    4    H    TRP   1           H        TRP   1  13.899  -5.673  -8.143
    5    HA   TRP   1           HA       TRP   1  11.565  -6.283  -6.347
    6    HB2  TRP   1           2HB      TRP   1  10.383  -7.095  -8.256
    7    HB3  TRP   1           1HB      TRP   1  10.933  -5.425  -8.601
    8    HD1  TRP   1           HD       TRP   1  13.276  -5.398 -10.089
    9    HE1  TRP   1           1HE      TRP   1  13.989  -6.906 -12.173
   10    HE3  TRP   1           3HE      TRP   1  10.331  -9.340  -9.161
   11    HZ2  TRP   1           2HZ      TRP   1  13.231  -9.466 -13.139
   12    HZ3  TRP   1           3HZ      TRP   1   9.880 -10.948 -10.835
   13    HH2  TRP   1           HH       TRP   1  11.444 -11.190 -12.852
   14    HA   PRO   2           HA       PRO   2  14.365  -9.848  -5.778
   15    HB2  PRO   2           2HB      PRO   2  13.700 -10.296  -3.221
   16    HB3  PRO   2           1HB      PRO   2  14.763  -8.952  -3.632
   17    HG2  PRO   2           2HG      PRO   2  11.748  -8.880  -3.107
   18    HG3  PRO   2           1HG      PRO   2  12.991  -7.843  -2.416
   19    HD2  PRO   2           1HD      PRO   2  11.550  -7.086  -4.700
   20    HD3  PRO   2           2HD      PRO   2  13.304  -6.626  -4.514
   21    HA   PRO   3           HA       PRO   3  11.412 -13.125  -6.509
   22    HB2  PRO   3           2HB      PRO   3  12.662 -15.256  -5.378
   23    HB3  PRO   3           1HB      PRO   3  13.189 -14.565  -6.913
   24    HG2  PRO   3           2HG      PRO   3  14.319 -14.047  -4.118
   25    HG3  PRO   3           1HG      PRO   3  15.204 -14.406  -5.597
   26    HD2  PRO   3           1HD      PRO   3  14.818 -11.760  -4.760
   27    HD3  PRO   3           2HD      PRO   3  14.729 -12.166  -6.542
   28    H    ARG   4           H        ARG   4   9.790 -14.239  -5.563
   29    HA   ARG   4           HA       ARG   4   7.967 -14.245  -4.107
   30    HB2  ARG   4           2HB      ARG   4  10.209 -15.419  -2.399
   31    HB3  ARG   4           1HB      ARG   4   8.502 -15.526  -2.014
   32    HG2  ARG   4           2HG      ARG   4   8.297 -16.558  -4.439
   33    HG3  ARG   4           1HG      ARG   4  10.024 -16.858  -4.238
   34    HD2  ARG   4           2HD      ARG   4   9.529 -18.054  -2.069
   35    HD3  ARG   4           1HD      ARG   4   7.816 -17.807  -2.343
   36    HE   ARG   4           HE       ARG   4   9.408 -19.818  -3.398
   37   HH11  ARG   4          2HH2      ARG   4   6.686 -17.795  -4.496
   38   HH12  ARG   4          1HH2      ARG   4   6.224 -18.983  -5.744
   39   HH21  ARG   4          2HH1      ARG   4   8.758 -21.267  -4.973
   40   HH22  ARG   4          1HH1      ARG   4   7.353 -20.879  -6.001
   41    H    SER   5           H        SER   5   8.881 -11.646  -4.293
   42    HA   SER   5           HA       SER   5   7.423 -10.522  -2.053
   43    HB2  SER   5           2HB      SER   5  10.151 -10.943  -1.629
   44    HB3  SER   5           1HB      SER   5   9.937  -9.203  -2.049
   45    HG   SER   5           HG       SER   5   8.589 -10.766  -0.019
   46    H    TYR   6           H        TYR   6   6.736  -8.610  -2.373
   47    HA   TYR   6           HA       TYR   6   7.817  -6.925  -4.648
   48    HB2  TYR   6           1HB      TYR   6   5.024  -7.719  -4.200
   49    HB3  TYR   6           2HB      TYR   6   5.388  -6.311  -4.942
   50    HD1  TYR   6           2HD      TYR   6   6.928  -6.322  -6.988
   51    HD2  TYR   6           1HD      TYR   6   5.052  -9.826  -5.364
   52    HE1  TYR   6           2HE      TYR   6   7.266  -7.476  -9.133
   53    HE2  TYR   6           1HE      TYR   6   5.316 -10.974  -7.541
   54    HH   TYR   6           HH       TYR   6   6.902 -10.719  -9.812
   55    H    THR   7           H        THR   7   8.002  -4.954  -4.538
   56    HA   THR   7           HA       THR   7   7.989  -3.674  -1.931
   57    HB   THR   7           HB       THR   7   8.795  -2.479  -4.653
   58    HG1  THR   7           1HG      THR   7  10.261  -4.362  -3.042
   59   HG21  THR   7          3HG2      THR   7   9.955  -2.169  -1.873
   60   HG22  THR   7          1HG2      THR   7  10.500  -1.347  -3.354
   61   HG23  THR   7          2HG2      THR   7   8.886  -1.003  -2.687
   62    H    CYS   8           H        CYS   8   6.874  -1.499  -1.587
   63    HA   CYS   8           HA       CYS   8   4.442  -1.365  -3.208
   64    HB2  CYS   8           2HB      CYS   8   4.782  -1.366  -0.483
   65    HB3  CYS   8           1HB      CYS   8   4.572   0.357  -0.854
   66    H    SER   9           H        SER   9   7.537  -0.008  -3.058
   67    HA   SER   9           HA       SER   9   8.641   1.858  -3.791
   68    HB2  SER   9           2HB      SER   9   8.045   3.273  -5.266
   69    HB3  SER   9           1HB      SER   9   7.147   1.780  -5.687
   70    HG   SER   9           HG       SER   9   5.335   2.862  -5.562
   71    H    PHE  10           H        PHE  10   5.454   3.129  -2.654
   72    HA   PHE  10           HA       PHE  10   6.374   5.302  -1.181
   73    HB2  PHE  10           1HB      PHE  10   4.031   3.601  -1.043
   74    HB3  PHE  10           2HB      PHE  10   4.306   4.623   0.201
   75    HD1  PHE  10           2HD      PHE  10   3.838   4.597  -3.454
   76    HD2  PHE  10           1HD      PHE  10   3.389   6.686   0.268
   77    HE1  PHE  10           2HE      PHE  10   2.422   6.297  -4.573
   78    HE2  PHE  10           1HE      PHE  10   1.927   8.354  -0.837
   79    HZ   PHE  10           HZ       PHE  10   1.464   8.174  -3.265
   80    H    CYS  11           H        CYS  11   6.175   1.847   0.114
   81    HA   CYS  11           HA       CYS  11   7.431   3.041   2.494
   82    HB2  CYS  11           2HB      CYS  11   6.671   1.050   3.709
   83    HB3  CYS  11           1HB      CYS  11   5.325   1.990   3.035
   84    H    LYS  12           H        LYS  12   8.706   2.083  -0.284
   85    HA   LYS  12           HA       LYS  12   9.789   0.034  -1.128
   86    HB2  LYS  12           2HB      LYS  12  12.112   0.417  -0.342
   87    HB3  LYS  12           1HB      LYS  12  11.293   1.902  -0.928
   88    HG2  LYS  12           2HG      LYS  12  10.985   2.679   1.322
   89    HG3  LYS  12           1HG      LYS  12  11.635   1.144   1.982
   90    HD2  LYS  12           2HD      LYS  12  13.397   2.832   0.201
   91    HD3  LYS  12           1HD      LYS  12  13.172   3.311   1.873
   92    HE2  LYS  12           2HE      LYS  12  13.893   1.020   2.590
   93    HE3  LYS  12           1HE      LYS  12  14.217   0.632   0.895
   94    HZ1  LYS  12           3HZ      LYS  12  15.437   2.834   2.425
   95    HZ2  LYS  12           1HZ      LYS  12  16.168   1.375   2.021
   96    HZ3  LYS  12           2HZ      LYS  12  15.745   2.466   0.813
   97    H    ARG  13           H        ARG  13   8.154  -0.879   1.164
   98    HA   ARG  13           HA       ARG  13   9.905  -2.927   2.304
   99    HB2  ARG  13           2HB      ARG  13   8.001  -1.397   3.461
  100    HB3  ARG  13           1HB      ARG  13   6.980  -2.735   2.933
  101    HG2  ARG  13           2HG      ARG  13   8.846  -4.238   3.972
  102    HG3  ARG  13           1HG      ARG  13   9.289  -2.736   4.848
  103    HD2  ARG  13           2HD      ARG  13   6.544  -4.000   4.892
  104    HD3  ARG  13           1HD      ARG  13   7.824  -4.287   6.119
  105    HE   ARG  13           HE       ARG  13   6.081  -2.006   5.846
  106   HH11  ARG  13          2HH2      ARG  13   9.267  -2.857   7.175
  107   HH12  ARG  13          1HH2      ARG  13   9.071  -1.737   8.549
  108   HH21  ARG  13          2HH1      ARG  13   5.919  -0.585   7.585
  109   HH22  ARG  13          1HH1      ARG  13   7.251  -0.496   8.769
  110    H    GLU  14           H        GLU  14   9.918  -4.888   1.847
  111    HA   GLU  14           HA       GLU  14   8.627  -5.977  -0.539
  112    HB2  GLU  14           2HB      GLU  14  10.713  -7.016   1.429
  113    HB3  GLU  14           1HB      GLU  14  10.181  -7.883  -0.006
  114    HG2  GLU  14           2HG      GLU  14  11.174  -6.245  -1.487
  115    HG3  GLU  14           1HG      GLU  14  11.292  -5.043  -0.248
  116    H    PHE  15           H        PHE  15   6.686  -6.761  -0.449
  117    HA   PHE  15           HA       PHE  15   5.819  -8.406   1.867
  118    HB2  PHE  15           1HB      PHE  15   4.426  -6.813  -0.185
  119    HB3  PHE  15           2HB      PHE  15   3.628  -7.981   0.630
  120    HD1  PHE  15           1HD      PHE  15   5.579  -4.903   1.157
  121    HD2  PHE  15           2HD      PHE  15   2.524  -7.549   2.601
  122    HE1  PHE  15           1HE      PHE  15   4.977  -3.251   2.900
  123    HE2  PHE  15           2HE      PHE  15   1.926  -5.904   4.355
  124    HZ   PHE  15           HZ       PHE  15   3.180  -3.768   4.529
  125    H    ARG  16           H        ARG  16   5.370 -10.458   1.699
  126    HA   ARG  16           HA       ARG  16   5.612 -11.887  -0.830
  127    HB2  ARG  16           2HB      ARG  16   5.419 -13.858   0.633
  128    HB3  ARG  16           1HB      ARG  16   6.583 -12.690   1.337
  129    HG2  ARG  16           2HG      ARG  16   4.181 -11.990   2.545
  130    HG3  ARG  16           1HG      ARG  16   4.075 -13.753   2.449
  131    HD2  ARG  16           2HD      ARG  16   6.517 -13.729   3.352
  132    HD3  ARG  16           1HD      ARG  16   6.152 -12.051   3.823
  133    HE   ARG  16           HE       ARG  16   4.026 -13.729   4.640
  134   HH11  ARG  16          2HH2      ARG  16   7.287 -12.775   5.646
  135   HH12  ARG  16          1HH2      ARG  16   7.077 -13.453   7.282
  136   HH21  ARG  16          2HH1      ARG  16   3.794 -14.551   6.742
  137   HH22  ARG  16          1HH1      ARG  16   5.158 -14.426   7.884
  138    H    SER  17           H        SER  17   3.635 -10.124  -1.161
  139    HA   SER  17           HA       SER  17   1.083 -11.639  -1.184
  140    HB2  SER  17           2HB      SER  17   1.561  -9.063   0.302
  141    HB3  SER  17           1HB      SER  17  -0.040  -9.565  -0.299
  142    HG   SER  17           HG       SER  17   1.459 -11.524   1.107
  143    H    ALA  18           H        ALA  18  -0.464 -10.813  -2.543
  144    HA   ALA  18           HA       ALA  18   0.472  -8.842  -4.591
  145    HB1  ALA  18           1HB      ALA  18  -0.984  -9.955  -6.145
  146    HB2  ALA  18           2HB      ALA  18   0.270 -11.037  -5.494
  147    HB3  ALA  18           3HB      ALA  18  -1.405 -11.159  -4.905
  148    H    GLN  19           H        GLN  19  -2.805 -10.097  -3.777
  149    HA   GLN  19           HA       GLN  19  -4.061  -7.653  -4.119
  150    HB2  GLN  19           2HB      GLN  19  -4.837 -10.299  -3.956
  151    HB3  GLN  19           1HB      GLN  19  -5.281  -9.831  -2.344
  152    HG2  GLN  19           2HG      GLN  19  -6.275  -8.104  -4.617
  153    HG3  GLN  19           1HG      GLN  19  -7.026  -9.633  -4.326
  154   HE21  GLN  19          2HE2      GLN  19  -7.987  -6.896  -4.120
  155   HE22  GLN  19          1HE2      GLN  19  -8.619  -6.758  -2.457
  156    H    ALA  20           H        ALA  20  -3.208  -9.130  -0.919
  157    HA   ALA  20           HA       ALA  20  -3.950  -7.054   0.791
  158    HB1  ALA  20           1HB      ALA  20  -2.253  -7.898   2.255
  159    HB2  ALA  20           2HB      ALA  20  -3.155  -9.231   1.495
  160    HB3  ALA  20           3HB      ALA  20  -1.520  -8.822   0.922
  161    H    LEU  21           H        LEU  21  -0.942  -7.205  -1.184
  162    HA   LEU  21           HA       LEU  21   0.209  -4.758  -0.079
  163    HB2  LEU  21           2HB      LEU  21   1.434  -6.738  -0.802
  164    HB3  LEU  21           1HB      LEU  21   0.984  -6.300  -2.492
  165    HG   LEU  21           HG       LEU  21   3.350  -5.631  -1.664
  166   HD11  LEU  21          1HD1      LEU  21   3.379  -3.628  -2.919
  167   HD12  LEU  21          2HD1      LEU  21   2.473  -4.918  -3.743
  168   HD13  LEU  21          3HD1      LEU  21   1.600  -3.588  -2.946
  169   HD21  LEU  21          3HD2      LEU  21   2.687  -4.732   0.529
  170   HD22  LEU  21          1HD2      LEU  21   3.498  -3.520  -0.491
  171   HD23  LEU  21          2HD2      LEU  21   1.731  -3.474  -0.289
  172    H    GLY  22           H        GLY  22  -1.495  -5.615  -3.211
  173    HA2  GLY  22           2HA      GLY  22  -1.542  -3.108  -4.417
  174    HA3  GLY  22           1HA      GLY  22  -2.823  -4.299  -4.542
  175    H    GLY  23           H        GLY  23  -4.004  -4.419  -2.052
  176    HA2  GLY  23           2HA      GLY  23  -5.498  -2.039  -1.659
  177    HA3  GLY  23           1HA      GLY  23  -5.309  -3.319  -0.496
  178    H    HIS  24           H        HIS  24  -2.427  -3.092  -0.116
  179    HA   HIS  24           HA       HIS  24  -2.504  -1.173   1.942
  180    HB2  HIS  24           2HB      HIS  24  -1.299  -3.038   2.397
  181    HB3  HIS  24           1HB      HIS  24  -0.421  -2.987   0.836
  182    HD1  HIS  24           1HD      HIS  24   0.113  -2.483   4.222
  183    HD2  HIS  24           2HD      HIS  24   1.229  -0.386   0.802
  184    HE1  HIS  24           1HE      HIS  24   2.171  -1.001   4.904
  185    H    MET  25           H        MET  25  -0.860  -1.257  -1.276
  186    HA   MET  25           HA       MET  25   0.317   1.284  -1.336
  187    HB2  MET  25           2HB      MET  25   0.364  -0.757  -2.984
  188    HB3  MET  25           1HB      MET  25  -0.976   0.084  -3.758
  189    HG2  MET  25           2HG      MET  25   0.387   1.924  -4.388
  190    HG3  MET  25           1HG      MET  25   1.507   1.699  -3.084
  191    HE1  MET  25           3HE      MET  25   0.612   0.958  -6.717
  192    HE2  MET  25           1HE      MET  25   1.539  -0.511  -7.102
  193    HE3  MET  25           2HE      MET  25   0.123  -0.608  -6.028
  194    H    ASN  26           H        ASN  26  -3.067   0.398  -2.253
  195    HA   ASN  26           HA       ASN  26  -3.841   3.104  -2.783
  196    HB2  ASN  26           2HB      ASN  26  -4.931   0.811  -3.577
  197    HB3  ASN  26           1HB      ASN  26  -5.735   0.812  -2.031
  198   HD21  ASN  26          2HD2      ASN  26  -7.697   0.873  -3.119
  199   HD22  ASN  26          1HD2      ASN  26  -8.314   2.403  -3.796
  200    H    VAL  27           H        VAL  27  -3.845   1.347   0.328
  201    HA   VAL  27           HA       VAL  27  -5.173   3.391   1.713
  202    HB   VAL  27           HB       VAL  27  -4.645   1.033   2.369
  203   HG11  VAL  27          1HG1      VAL  27  -3.018   0.834   4.180
  204   HG12  VAL  27          2HG1      VAL  27  -2.212   1.143   2.623
  205   HG13  VAL  27          3HG1      VAL  27  -2.389   2.457   3.810
  206   HG21  VAL  27          3HG2      VAL  27  -6.193   2.491   3.409
  207   HG22  VAL  27          1HG2      VAL  27  -5.223   1.657   4.646
  208   HG23  VAL  27          2HG2      VAL  27  -4.887   3.359   4.249
  209    H    HIS  28           H        HIS  28  -1.890   3.505   0.399
  210    HA   HIS  28           HA       HIS  28  -0.651   5.287   2.062
  211    HB2  HIS  28           2HB      HIS  28  -0.456   4.914  -0.897
  212    HB3  HIS  28           1HB      HIS  28   0.617   5.982   0.062
  213    HD1  HIS  28           1HD      HIS  28   0.664   3.946   2.476
  214    HD2  HIS  28           2HD      HIS  28   1.633   3.140  -1.490
  215    HE1  HIS  28           1HE      HIS  28   2.269   1.866   2.521
  216    H    ARG  29           H        ARG  29  -2.055   6.862   2.918
  217    HA   ARG  29           HA       ARG  29  -3.404   8.719   3.053
  218    HB2  ARG  29           2HB      ARG  29  -0.832   9.499   2.269
  219    HB3  ARG  29           1HB      ARG  29  -1.783  10.227   1.020
  220    HG2  ARG  29           2HG      ARG  29  -2.302  10.571   3.959
  221    HG3  ARG  29           1HG      ARG  29  -1.345  11.670   2.909
  222    HD2  ARG  29           2HD      ARG  29  -4.138  11.194   1.969
  223    HD3  ARG  29           1HD      ARG  29  -4.033  12.028   3.490
  224    HE   ARG  29           HE       ARG  29  -3.089  13.812   2.490
  225   HH11  ARG  29          2HH2      ARG  29  -3.268  11.282  -0.018
  226   HH12  ARG  29          1HH2      ARG  29  -3.012  12.474  -1.320
  227   HH21  ARG  29          2HH1      ARG  29  -2.842  15.247   0.784
  228   HH22  ARG  29          1HH1      ARG  29  -2.782  14.621  -0.886
  229    H    ARG  30           H        ARG  30  -4.699   6.896   1.573
  230    HA   ARG  30           HA       ARG  30  -6.185   8.485  -0.380
  231    HB2  ARG  30           2HB      ARG  30  -4.048   6.788  -1.295
  232    HB3  ARG  30           1HB      ARG  30  -5.488   5.876  -1.577
  233    HG2  ARG  30           2HG      ARG  30  -5.186   7.067  -3.532
  234    HG3  ARG  30           1HG      ARG  30  -6.411   8.019  -2.713
  235    HD2  ARG  30           2HD      ARG  30  -4.961   9.780  -2.293
  236    HD3  ARG  30           1HD      ARG  30  -3.538   8.747  -2.205
  237    HE   ARG  30           HE       ARG  30  -4.508  10.106  -4.464
  238   HH11  ARG  30          2HH2      ARG  30  -2.925   7.037  -3.629
  239   HH12  ARG  30          1HH2      ARG  30  -2.256   6.835  -5.270
  240   HH21  ARG  30          2HH1      ARG  30  -3.615   9.801  -6.541
  241   HH22  ARG  30          1HH1      ARG  30  -2.632   8.346  -6.861
  242    H    ASP  31           H        ASP  31  -8.062   7.251  -1.115
  243    HA   ASP  31           HA       ASP  31 -10.090   6.311  -0.639
  244    HB2  ASP  31           2HB      ASP  31  -8.637   4.375   1.156
  245    HB3  ASP  31           1HB      ASP  31 -10.275   4.216   0.439
  246    H    ARG  32           H        ARG  32 -11.722   6.782   0.740
  247    HA   ARG  32           HA       ARG  32 -12.913   7.717   2.507
  248    HB2  ARG  32           2HB      ARG  32 -10.654   7.074   4.354
  249    HB3  ARG  32           1HB      ARG  32 -12.402   7.289   4.693
  250    HG2  ARG  32           2HG      ARG  32 -11.302   4.900   3.119
  251    HG3  ARG  32           1HG      ARG  32 -11.566   4.853   4.828
  252    HD2  ARG  32           2HD      ARG  32 -13.779   4.544   4.581
  253    HD3  ARG  32           1HD      ARG  32 -13.943   5.800   3.375
  254    HE   ARG  32           HE       ARG  32 -14.005   4.205   1.857
  255   HH11  ARG  32          2HH2      ARG  32 -11.850   2.805   4.333
  256   HH12  ARG  32          1HH2      ARG  32 -11.753   1.255   3.454
  257   HH21  ARG  32          2HH1      ARG  32 -13.784   2.258   0.793
  258   HH22  ARG  32          1HH1      ARG  32 -12.804   0.959   1.525
  259    H    ALA  33           H        ALA  33  -9.501   8.458   3.067
  260    HA   ALA  33           HA       ALA  33  -8.330  10.342   3.590
  261    HB1  ALA  33           1HB      ALA  33  -8.781  12.326   2.328
  262    HB2  ALA  33           2HB      ALA  33  -8.771  10.858   1.321
  263    HB3  ALA  33           3HB      ALA  33 -10.316  11.627   1.758
  264    H    ARG  34           H        ARG  34  -8.928  12.936   4.258
  265    HA   ARG  34           HA       ARG  34 -10.460  12.826   6.686
  266    HB2  ARG  34           2HB      ARG  34  -9.926  15.196   6.811
  267    HB3  ARG  34           1HB      ARG  34  -8.473  14.288   6.268
  268    HG2  ARG  34           2HG      ARG  34  -8.300  15.549   4.418
  269    HG3  ARG  34           1HG      ARG  34 -10.004  15.320   4.008
  270    HD2  ARG  34           2HD      ARG  34  -9.570  17.707   4.387
  271    HD3  ARG  34           1HD      ARG  34 -10.606  17.106   5.683
  272    HE   ARG  34           HE       ARG  34  -7.775  17.840   5.862
  273   HH11  ARG  34          2HH2      ARG  34 -10.741  16.936   7.626
  274   HH12  ARG  34          1HH2      ARG  34  -9.977  17.252   9.208
  275   HH21  ARG  34          2HH1      ARG  34  -6.867  18.161   7.892
  276   HH22  ARG  34          1HH1      ARG  34  -7.865  17.921   9.352
  277    H    LEU  35           H        LEU  35 -11.743  15.573   6.052
  278    HA   LEU  35           HA       LEU  35 -13.848  16.364   5.546
  279    HB2  LEU  35           2HB      LEU  35 -13.243  14.651   3.285
  280    HB3  LEU  35           1HB      LEU  35 -14.932  14.555   3.664
  281    HG   LEU  35           HG       LEU  35 -13.724  17.273   3.644
  282   HD11  LEU  35          1HD1      LEU  35 -13.954  17.322   1.181
  283   HD12  LEU  35          2HD1      LEU  35 -12.722  16.138   1.678
  284   HD13  LEU  35          3HD1      LEU  35 -14.337  15.584   1.178
  285   HD21  LEU  35          3HD2      LEU  35 -16.115  16.894   4.172
  286   HD22  LEU  35          1HD2      LEU  35 -15.922  17.767   2.633
  287   HD23  LEU  35          2HD2      LEU  35 -16.317  16.032   2.628
  288    H    ARG  36           H        ARG  36 -16.221  15.692   5.533
  289    HA   ARG  36           HA       ARG  36 -17.094  13.211   6.749
  290    HB2  ARG  36           2HB      ARG  36 -16.358  15.399   8.533
  291    HB3  ARG  36           1HB      ARG  36 -18.087  15.016   8.621
  292    HG2  ARG  36           2HG      ARG  36 -15.959  12.817   8.728
  293    HG3  ARG  36           1HG      ARG  36 -16.516  13.625  10.173
  294    HD2  ARG  36           2HD      ARG  36 -18.651  12.565   8.379
  295    HD3  ARG  36           1HD      ARG  36 -17.639  11.387   9.219
  296    HE   ARG  36           HE       ARG  36 -19.623  13.113  10.354
  297   HH11  ARG  36          2HH2      ARG  36 -16.528  11.578  11.182
  298   HH12  ARG  36          1HH2      ARG  36 -16.934  11.495  12.918
  299   HH21  ARG  36          2HH1      ARG  36 -20.079  12.991  12.587
  300   HH22  ARG  36          1HH1      ARG  36 -18.873  12.267  13.684
  301    H    LEU  37           H        LEU  37 -18.645  12.872   5.434
  302    HA   LEU  37           HA       LEU  37 -20.623  12.991   4.366
  303    HB2  LEU  37           2HB      LEU  37 -21.562  13.344   6.404
  304    HB3  LEU  37           1HB      LEU  37 -21.140  15.092   6.393
  305    HG   LEU  37           HG       LEU  37 -22.918  14.185   4.205
  306   HD11  LEU  37          1HD1      LEU  37 -24.892  14.176   5.708
  307   HD12  LEU  37          2HD1      LEU  37 -23.772  12.861   6.138
  308   HD13  LEU  37          3HD1      LEU  37 -23.822  14.344   7.121
  309   HD21  LEU  37          3HD2      LEU  37 -22.279  16.549   4.577
  310   HD22  LEU  37          1HD2      LEU  37 -24.029  16.308   4.796
  311   HD23  LEU  37          2HD2      LEU  37 -22.969  16.476   6.216
  312    HN1  NH2  38           3HN      NH2  38 -18.397  14.265   3.380
  313    HN2  NH2  38           2HN      NH2  38 -19.671  13.106   3.199