*HEADER    VIRUS/VIRAL PROTEIN                     29-JAN-02   1KWE              
*TITLE     SOLUTION STRUCTURE OF THE CENTRAL CONSERVED REGION OF HUMAN           
*TITLE    2 RESPIRATORY SYNCYTIAL VIRUS ATTACHMENT GLYCOPROTEIN G                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MAJOR SURFACE GLYCOPROTEIN G;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 172-187;                                          
*COMPND   5 SYNONYM: ATTACHMENT GLYCOPROTEIN G;                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHESIS OF THE PEPTIDE WAS PERFORMED BY A           
*SOURCE   4 SOLID PHASE METHOD USING FMOC/TBU CHEMISTRY.                         
*KEYWDS    CYSTEINE NOSE                                                         
*EXPDTA    NMR, 11 STRUCTURES                                                    
*AUTHOR    M.SUGAWARA, J.CZAPLICKI, J.FERRAGE, J.F.HAEUW, U.F.POWER,             
*AUTHOR   2 N.CORVAIA, T.NGUYEN, A.BECK, A.MILON                                 
*REVDAT   1   17-JUN-03 1KWE    0                                                

!BIOSYM restraint 1
#NOE_distance
   
1:TRP_12:HZ2 1:TRP_12:HE1 1.80  3.29  3.29  5 5 1000
1:TRP_12:HD1 1:TRP_12:HE1 1.80  2.87  2.87  5 5 1000
1:SER_3:HN 1:CYS_2:HN 1.80  4.11  4.11  5 5 1000
1:TRP_12:HN 1:THR_10:HA 1.80  4.05  4.05  5 5 1000
1:LY+C_16:HN 1:CYS_15:HN 1.80  4.02  4.02  5 5 1000
1:ILE_4:HN 1:SER_3:HN 1.80  3.92  3.92  5 5 1000
1:CYS_11:HN 1:THR_10:HA 1.80  3.69  3.69  5 5 1000
1:SER_6:HN 1:ASN_7:HN 1.80  3.65  3.65  5 5 1000
1:CYS_2:HN 1:CYS_2:HA 1.80  3.62  3.62  5 5 1000
1:ASN_8:HN 1:ASN_7:HA 1.80  3.59  3.59  5 5 1000
1:CYS_5:HN 1:SER_6:HN 1.80  3.53  3.53  5 5 1000
1:ASN_8:HN 1:ASN_8:HA 1.80  3.48  3.48  5 5 1000
1:ILE_4:HN 1:CYS_5:HN 1.80  3.44  3.44  5 5 1000
1:CYS_15:HN 1:CYS_15:HA 1.80  3.36  3.36  5 5 1000
1:ASN_8:HN 1:ASN_7:HN 1.80  3.35  3.35  5 5 1000
1:SER_3:HN 1:SER_3:HA 1.80  3.35  3.35  5 5 1000
1:TRP_12:HN 1:TRP_12:HA 1.80  3.35  3.35  5 5 1000
1:TRP_12:HN 1:CYS_11:HN 1.80  3.34  3.34  5 5 1000
1:THR_10:HN 1:PRO_9:HA 1.80  3.33  3.33  5 5 1000
1:ASN_8:HD22 1:ASN_8:HD21 1.80  2.29  2.29  5 5 1000
1:ASN_7:HD22 1:ASN_7:HD21 1.80  2.32  2.32  5 5 1000
1:ILE_14:HN 1:ILE_14:HA 1.80  3.32  3.32  5 5 1000
1:PRO_9:HD* 1:ASN_8:HA 1.80  3.12  3.12  5 5 1000
1:CYS_11:HN 1:CYS_11:HA 1.80  3.29  3.29  5 5 1000
1:ALA_13:HN 1:TRP_12:HN 1.80  3.25  3.25  5 5 1000
1:LY+C_16:HN 1:LY+C_16:HA 1.80  3.24  3.24  5 5 1000
1:ALA_13:HN 1:ALA_13:HA 1.80  3.24  3.24  5 5 1000
1:ILE_14:HN 1:CYS_15:HN 1.80  3.24  3.24  5 5 1000
1:ALA_13:HN 1:TRP_12:HA 1.80  3.18  3.18  5 5 1000
1:ASN_7:HN 1:SER_6:HA 1.80  3.14  3.14  5 5 1000
1:CYS_2:HN 1:PROn_1:HA 1.80  3.09  3.09  5 5 1000
1:ILE_14:HN 1:ALA_13:HA 1.80  3.08  3.08  5 5 1000
1:ILE_4:HN 1:SER_3:HA 1.80  3.06  3.06  5 5 1000
1:SER_6:HN 1:SER_6:HA 1.80  3.05  3.05  5 5 1000
1:TRP_12:HN 1:CYS_11:HA 1.80  3.04  3.04  5 5 1000
1:ILE_14:HN 1:ALA_13:HN 1.80  3.02  3.02  5 5 1000
1:CYS_15:HN 1:ILE_14:HA 1.80  2.99  2.99  5 5 1000
1:THR_10:HN 1:CYS_11:HN 1.80  2.99  2.99  5 5 1000
1:CYS_11:HN 1:THR_10:HB 1.80  3.46  3.46  5 5 1000
1:ASN_7:HN 1:ASN_7:HA 1.80  2.98  2.98  5 5 1000
1:SER_6:HN 1:CYS_5:HA 1.80  2.97  2.97  5 5 1000
1:ILE_4:HN 1:SER_3:HB* 1.80  4.19  4.19  5 5 1000
1:SER_3:HN 1:SER_3:HB* 1.80  3.71  3.71  5 5 1000
1:ASN_7:HN 1:SER_6:HB* 1.80  3.84  3.84  5 5 1000
1:SER_6:HN 1:SER_6:HB* 1.80  3.91  3.91  5 5 1000
1:TRP_12:HN 1:TRP_12:HB* 1.80  3.89  3.89  5 5 1000
1:ALA_13:HN 1:TRP_12:HB* 1.80  4.61  4.61  5 5 1000
1:TRP_12:HE3 1:TRP_12:HB* 1.80  4.00  4.00  5 5 1000
1:LY+C_16:HN 1:CYS_15:HB* 1.80  4.31  4.31  5 5 1000
1:CYS_15:HN 1:CYS_15:HB* 1.80  3.95  3.95  5 5 1000
1:TRP_12:HN 1:CYS_11:HB* 1.80  4.02  4.02  5 5 1000
1:CYS_11:HN 1:CYS_11:HB* 1.80  3.69  3.69  5 5 1000
1:CYS_2:HN 1:CYS_2:HB* 1.80  4.04  4.04  5 5 1000
1:SER_3:HN 1:CYS_2:HB* 1.80  4.46  4.46  5 5 1000
1:ASN_8:HD21 1:ASN_8:HB* 1.80  4.00  4.00  5 5 1000
1:ASN_8:HN 1:PRO_9:HD* 1.80  3.51  3.51  5 5 1000
1:TRP_12:HE1 1:CYS_5:HB* 1.80  4.37  4.37  5 5 1000
1:CYS_5:HN 1:CYS_5:HB* 1.80  3.52  3.52  5 5 1000
1:SER_6:HN 1:CYS_5:HB* 1.80  3.89  3.89  5 5 1000
1:ASN_7:HN 1:ASN_7:HB* 1.80  3.88  3.88  5 5 1000
1:ASN_7:HD21 1:ASN_7:HB* 1.80  4.04  4.04  5 5 1000
1:PRO_9:HA 1:PRO_9:HG* 1.80  4.32  4.32  5 5 1000
1:CYS_15:HN 1:ILE_14:HB 1.80  4.15  4.15  5 5 1000
1:THR_10:HN 1:PRO_9:HB* 1.80  3.98  3.98  5 5 1000
1:ILE_4:HN 1:ILE_4:HB 1.80  3.21  3.21  5 5 1000
1:ILE_14:HN 1:ILE_14:HB 1.80  3.24  3.24  5 5 1000
1:THR_10:HN 1:THR_10:HG2* 1.80  4.86  4.86  5 5 1000
1:TRP_12:HD1 1:CYS_5:HB* 1.80  4.22  4.22  5 5 1000
1:SER_3:HN 1:CYS_2:HA 1.80  2.89  2.89  5 5 1000
1:CYS_5:HN 1:ILE_4:HA 1.80  2.74  2.74  5 5 1000
1:ASN_7:HD22 1:ASN_7:HB* 1.80  3.86  3.86  5 5 1000
1:TRP_12:HE3 1:ALA_13:HA 1.80  4.23  4.23  5 5 1000
1:CYS_2:HN 1:PROn_1:HG* 1.80  5.15  5.15  5 5 1000
1:CYS_5:HN 1:ILE_4:HB 1.80  4.15  4.15  5 5 1000
1:THR_10:HB 1:THR_10:HG2* 1.80  4.80  4.80  5 5 1000
1:LY+C_16:HN 1:CYS_15:HA 1.80  2.69  2.69  5 5 1000

#NMR_dihedral

1:PROn_1:CA 1:PROn_1:C 1:CYS_2:N 1:CYS_2:CA 180 180 50 50 1000
1:CYS_2:CA 1:CYS_2:C 1:SER_3:N 1:SER_3:CA 180 180 50 50 1000
1:SER_3:CA 1:SER_3:C 1:ILE_4:N 1:ILE_4:CA 180 180 50 50 1000
1:ILE_4:CA 1:ILE_4:C 1:CYS_5:N 1:CYS_5:CA 180 180 50 50 1000
1:CYS_5:CA 1:CYS_5:C 1:SER_6:N 1:SER_6:CA 180 180 50 50 1000
1:SER_6:CA 1:SER_6:C 1:ASN_7:N 1:ASN_7:CA 180 180 50 50 1000
1:ASN_7:CA 1:ASN_7:C 1:ASN_8:N 1:ASN_8:CA 180 180 50 50 1000
1:ASN_8:CA 1:ASN_8:C 1:PRO_9:N 1:PRO_9:CA 180 180 50 50 1000
1:PRO_9:CA 1:PRO_9:C 1:THR_10:N 1:THR_10:CA 180 180 50 50 1000
1:THR_10:CA 1:THR_10:C 1:CYS_11:N 1:CYS_11:CA 180 180 50 50 1000
1:CYS_11:CA 1:CYS_11:C 1:TRP_12:N 1:TRP_12:CA 180 180 50 50 1000
1:TRP_12:CA 1:TRP_12:C 1:ALA_13:N 1:ALA_13:CA 180 180 50 50 1000
1:ALA_13:CA 1:ALA_13:C 1:ILE_14:N 1:ILE_14:CA 180 180 50 50 1000
1:ILE_14:CA 1:ILE_14:C 1:CYS_15:N 1:CYS_15:CA 180 180 50 50 1000
1:CYS_15:CA 1:CYS_15:C 1:LY+C_16:N 1:LY+C_16:CA 180 180 50 50 1000
1:CYS_2:C 1:SER_3:N 1:SER_3:CA 1:SER_3:C -70 -50 50 50 1000
1:SER_3:C 1:ILE_4:N 1:ILE_4:CA 1:ILE_4:C -70 -50 50 50 1000
1:THR_10:C 1:CYS_11:N 1:CYS_11:CA 1:CYS_11:C -70 -50 50 50 1000
1:CYS_11:C 1:TRP_12:N 1:TRP_12:CA 1:TRP_12:C -70 -50 50 50 1000
1:TRP_12:C 1:ALA_13:N 1:ALA_13:CA 1:ALA_13:C -70 -50 50 50 1000

#chiral

1:PROn_1:CA S
1:ASN_7:CA S
1:SER_3:CA S
1:SER_6:CA S
1:LY+C_16:CA S
1:CYS_5:CA R
1:THR_10:CA S
1:ALA_13:CA S
1:ILE_14:CA S
1:CYS_11:CA R
1:CYS_2:CA R
1:CYS_15:CA R
1:TRP_12:CA S
1:ILE_4:CA S
1:PRO_9:CA S
1:ILE_4:CB S
1:THR_10:CB S
1:ILE_14:CB S
1:ASN_8:CA S


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PRO 172          1H        PRO 172   2.983   5.916  -3.782
    2    HA   PRO 172           HA       PRO 172   2.962   3.709  -3.910
    3   1HB   PRO 172          2HB       PRO 172   6.010   3.658  -4.390
    4   2HB   PRO 172          1HB       PRO 172   4.763   2.555  -5.027
    5   1HG   PRO 172          2HG       PRO 172   5.622   4.607  -6.577
    6   2HG   PRO 172          1HG       PRO 172   3.870   4.276  -6.493
    7   1HD   PRO 172          1HD       PRO 172   5.445   6.461  -5.070
    8   2HD   PRO 172          2HD       PRO 172   3.806   6.546  -5.775
    9    H    CYS 173           H        CYS 173   2.841   2.502  -2.117
   10    HA   CYS 173           HA       CYS 173   4.503   3.163   0.357
   11   1HB   CYS 173          2HB       CYS 173   1.856   1.633   0.068
   12   2HB   CYS 173          1HB       CYS 173   2.736   1.886   1.586
   13    H    SER 174           H        SER 174   6.161   1.858   0.601
   14    HA   SER 174           HA       SER 174   6.546  -0.728  -0.759
   15   1HB   SER 174          1HB       SER 174   8.326   0.644   1.292
   16   2HB   SER 174          2HB       SER 174   8.752  -0.816   0.381
   17    HG   SER 174           HG       SER 174   8.370   0.365  -1.540
   18    H    ILE 175           H        ILE 175   6.232  -0.129   2.744
   19    HA   ILE 175           HA       ILE 175   6.003  -3.060   3.287
   20    HB   ILE 175           HB       ILE 175   7.295  -1.684   4.789
   21   1HG1  ILE 175          2HG1      ILE 175   5.160  -3.078   6.517
   22   2HG1  ILE 175          1HG1      ILE 175   6.172  -3.996   5.443
   23   1HG2  ILE 175          1HG2      ILE 175   4.702  -0.511   5.989
   24   2HG2  ILE 175          2HG2      ILE 175   6.352  -0.276   6.628
   25   3HG2  ILE 175          3HG2      ILE 175   5.911   0.386   5.031
   26   1HD1  ILE 175          1HD1      ILE 175   7.086  -4.150   7.680
   27   2HD1  ILE 175          2HD1      ILE 175   8.251  -3.321   6.614
   28   3HD1  ILE 175          3HD1      ILE 175   7.285  -2.380   7.782
   29    H    CYS 176           H        CYS 176   4.292  -3.171   1.771
   30    HA   CYS 176           HA       CYS 176   1.534  -3.234   3.117
   31   1HB   CYS 176          2HB       CYS 176   2.057  -2.020   0.358
   32   2HB   CYS 176          1HB       CYS 176   0.441  -2.426   0.981
   33    H    SER 177           H        SER 177   1.899  -5.369   3.388
   34    HA   SER 177           HA       SER 177   1.417  -7.214   1.059
   35   1HB   SER 177          1HB       SER 177   3.921  -7.106   1.189
   36   2HB   SER 177          2HB       SER 177   3.853  -7.787   2.824
   37    HG   SER 177           HG       SER 177   2.724  -9.574   1.931
   38    H    ASN 178           H        ASN 178   1.836  -7.236   4.603
   39    HA   ASN 178           HA       ASN 178   0.476  -9.805   4.964
   40   1HB   ASN 178          1HB       ASN 178   0.585  -9.505   7.324
   41   2HB   ASN 178          2HB       ASN 178   2.110  -9.112   6.567
   42   1HD2  ASN 178          1HD2      ASN 178   2.744  -6.819   6.548
   43   2HD2  ASN 178          2HD2      ASN 178   2.031  -5.683   7.800
   44    H    ASN 179           H        ASN 179  -0.967  -6.571   5.093
   45    HA   ASN 179           HA       ASN 179  -3.720  -7.826   5.285
   46   1HB   ASN 179          2HB       ASN 179  -3.131  -7.111   7.616
   47   2HB   ASN 179          1HB       ASN 179  -2.820  -5.478   7.040
   48   1HD2  ASN 179          2HD2      ASN 179  -4.395  -5.412   8.947
   49   2HD2  ASN 179          1HD2      ASN 179  -6.168  -5.278   8.493
   50    HA   PRO 180           HA       PRO 180  -2.817  -5.063   1.558
   51   1HB   PRO 180          1HB       PRO 180  -5.205  -6.620   0.472
   52   2HB   PRO 180          2HB       PRO 180  -3.761  -6.023  -0.382
   53   1HG   PRO 180          2HG       PRO 180  -3.844  -8.617   0.409
   54   2HG   PRO 180          1HG       PRO 180  -2.345  -7.680   0.672
   55   1HD   PRO 180          2HD       PRO 180  -4.505  -8.356   2.730
   56   2HD   PRO 180          1HD       PRO 180  -2.729  -8.353   2.919
   57    H    THR 181           H        THR 181  -3.335  -3.171   2.341
   58    HA   THR 181           HA       THR 181  -6.033  -1.954   1.824
   59    HB   THR 181           HB       THR 181  -4.867  -1.844   4.661
   60    HG1  THR 181           1HG      THR 181  -6.983  -0.376   3.487
   61   1HG2  THR 181          1HG2      THR 181  -7.149  -2.512   5.432
   62   2HG2  THR 181          2HG2      THR 181  -6.479  -3.763   4.350
   63   3HG2  THR 181          3HG2      THR 181  -7.713  -2.626   3.743
   64    H    CYS 182           H        CYS 182  -2.810  -1.028   3.281
   65    HA   CYS 182           HA       CYS 182  -2.864   1.606   2.018
   66   1HB   CYS 182          1HB       CYS 182  -0.516   1.809   2.822
   67   2HB   CYS 182          2HB       CYS 182  -1.647   1.252   4.051
   68    H    TRP 183           H        TRP 183  -2.240  -1.217   0.398
   69    HA   TRP 183           HA       TRP 183  -0.134  -0.285  -1.444
   70   1HB   TRP 183          2HB       TRP 183  -0.850  -2.801  -0.847
   71   2HB   TRP 183          1HB       TRP 183  -2.029  -2.590  -2.123
   72    HD1  TRP 183           HD       TRP 183   1.611  -3.241  -1.430
   73    HE1  TRP 183           1HE      TRP 183   3.112  -3.522  -3.529
   74    HE3  TRP 183           3HE      TRP 183  -1.892  -1.726  -4.793
   75    HZ2  TRP 183           2HZ      TRP 183   2.638  -3.174  -6.322
   76    HZ3  TRP 183           3HZ      TRP 183  -1.294  -1.714  -7.192
   77    HH2  TRP 183           HH       TRP 183   0.929  -2.424  -7.940
   78    H    ALA 184           H        ALA 184  -3.652  -0.386  -1.921
   79    HA   ALA 184           HA       ALA 184  -3.572   0.471  -4.726
   80   1HB   ALA 184          1HB       ALA 184  -5.906   0.569  -2.729
   81   2HB   ALA 184          2HB       ALA 184  -6.058   0.661  -4.503
   82   3HB   ALA 184          3HB       ALA 184  -5.469  -0.830  -3.746
   83    H    ILE 185           H        ILE 185  -3.421   2.564  -1.964
   84    HA   ILE 185           HA       ILE 185  -3.824   4.939  -3.804
   85    HB   ILE 185           HB       ILE 185  -5.988   4.559  -2.759
   86   1HG1  ILE 185          2HG1      ILE 185  -6.441   7.042  -1.961
   87   2HG1  ILE 185          1HG1      ILE 185  -4.719   7.289  -2.172
   88   1HG2  ILE 185          1HG2      ILE 185  -4.890   5.470  -0.040
   89   2HG2  ILE 185          2HG2      ILE 185  -6.592   5.096  -0.437
   90   3HG2  ILE 185          3HG2      ILE 185  -5.366   3.808  -0.463
   91   1HD1  ILE 185          1HD1      ILE 185  -5.037   6.821  -4.661
   92   2HD1  ILE 185          2HD1      ILE 185  -6.770   6.522  -4.363
   93   3HD1  ILE 185          3HD1      ILE 185  -6.083   8.144  -4.080
   94    H    CYS 186           H        CYS 186  -1.660   4.912  -3.854
   95    HA   CYS 186           HA       CYS 186  -0.285   6.577  -1.701
   96   1HB   CYS 186          1HB       CYS 186   0.960   3.990  -2.804
   97   2HB   CYS 186          2HB       CYS 186   1.847   5.235  -1.896
   98    H    LYS 187           H        LYS 187   0.433   8.277  -2.743
   99    HA   LYS 187           HA       LYS 187   1.611   8.126  -5.572
  100   1HB   LYS 187          1HB       LYS 187  -0.855   9.047  -5.480
  101   2HB   LYS 187          2HB       LYS 187  -0.218  10.401  -4.559
  102   1HG   LYS 187          2HG       LYS 187   1.246  10.993  -6.519
  103   2HG   LYS 187          1HG       LYS 187   0.646   9.629  -7.432
  104   1HD   LYS 187          1HD       LYS 187  -1.197  11.915  -6.401
  105   2HD   LYS 187          2HD       LYS 187  -0.272  12.038  -7.881
  106   1HE   LYS 187          2HE       LYS 187  -1.476  10.085  -8.887
  107   2HE   LYS 187          1HE       LYS 187  -2.423   9.892  -7.401
  108   1HZ   LYS 187          1HZ       LYS 187  -3.291  12.154  -7.731
  109   2HZ   LYS 187          2HZ       LYS 187  -2.410  12.334  -9.117
  110   3HZ   LYS 187          3HZ       LYS 187  -3.619  11.210  -9.047
  Start of MODEL    2
    1   1H    PRO 172          1H        PRO 172   3.903   6.126  -3.669
    2    HA   PRO 172           HA       PRO 172   3.610   3.927  -3.662
    3   1HB   PRO 172          1HB       PRO 172   6.086   2.686  -4.397
    4   2HB   PRO 172          2HB       PRO 172   4.777   3.213  -5.464
    5   1HG   PRO 172          2HG       PRO 172   7.269   4.772  -4.660
    6   2HG   PRO 172          1HG       PRO 172   6.596   4.543  -6.304
    7   1HD   PRO 172          2HD       PRO 172   6.074   6.858  -4.970
    8   2HD   PRO 172          1HD       PRO 172   4.719   6.048  -5.812
    9    H    CYS 173           H        CYS 173   3.492   2.839  -1.820
   10    HA   CYS 173           HA       CYS 173   5.524   3.223   0.441
   11   1HB   CYS 173          1HB       CYS 173   2.650   2.173   0.542
   12   2HB   CYS 173          2HB       CYS 173   3.745   2.345   1.925
   13    H    SER 174           H        SER 174   7.072   1.791  -0.087
   14    HA   SER 174           HA       SER 174   6.635  -0.912  -1.173
   15   1HB   SER 174          1HB       SER 174   9.059  -1.176  -1.108
   16   2HB   SER 174          2HB       SER 174   8.610   0.392  -1.802
   17    HG   SER 174           HG       SER 174  10.260   0.548  -0.249
   18    H    ILE 175           H        ILE 175   7.395   0.079   2.130
   19    HA   ILE 175           HA       ILE 175   7.783  -2.741   3.078
   20    HB   ILE 175           HB       ILE 175   7.626  -0.311   4.899
   21   1HG1  ILE 175          2HG1      ILE 175  10.298  -0.718   5.192
   22   2HG1  ILE 175          1HG1      ILE 175  10.162  -1.593   3.679
   23   1HG2  ILE 175          1HG2      ILE 175   8.662  -1.718   6.688
   24   2HG2  ILE 175          2HG2      ILE 175   7.170  -2.454   6.090
   25   3HG2  ILE 175          3HG2      ILE 175   8.734  -3.113   5.569
   26   1HD1  ILE 175          1HD1      ILE 175  11.007   0.762   3.472
   27   2HD1  ILE 175          2HD1      ILE 175   9.490   1.392   4.164
   28   3HD1  ILE 175          3HD1      ILE 175   9.483   0.593   2.570
   29    H    CYS 176           H        CYS 176   5.829  -3.437   2.240
   30    HA   CYS 176           HA       CYS 176   3.512  -3.416   4.198
   31   1HB   CYS 176          1HB       CYS 176   2.943  -1.683   2.398
   32   2HB   CYS 176          2HB       CYS 176   2.802  -3.032   1.244
   33    H    SER 177           H        SER 177   3.819  -5.421   4.682
   34    HA   SER 177           HA       SER 177   4.554  -7.611   2.756
   35   1HB   SER 177          1HB       SER 177   5.726  -7.500   4.889
   36   2HB   SER 177          2HB       SER 177   4.207  -7.751   5.772
   37    HG   SER 177           HG       SER 177   5.364  -9.676   5.421
   38    H    ASN 178           H        ASN 178   1.767  -7.332   5.006
   39    HA   ASN 178           HA       ASN 178  -0.069  -8.515   2.939
   40   1HB   ASN 178          2HB       ASN 178   0.359 -10.054   5.567
   41   2HB   ASN 178          1HB       ASN 178  -1.036 -10.257   4.521
   42   1HD2  ASN 178          1HD2      ASN 178   2.393 -10.916   4.788
   43   2HD2  ASN 178          2HD2      ASN 178   2.447 -12.064   3.357
   44    H    ASN 179           H        ASN 179  -1.036  -6.564   3.030
   45    HA   ASN 179           HA       ASN 179  -2.943  -5.957   5.205
   46   1HB   ASN 179          2HB       ASN 179  -0.853  -4.784   6.065
   47   2HB   ASN 179          1HB       ASN 179  -0.847  -3.769   4.633
   48   1HD2  ASN 179          2HD2      ASN 179  -2.428  -2.082   4.540
   49   2HD2  ASN 179          1HD2      ASN 179  -3.486  -1.662   5.979
   50    HA   PRO 180           HA       PRO 180  -4.315  -5.517   0.679
   51   1HB   PRO 180          1HB       PRO 180  -7.008  -5.448   2.148
   52   2HB   PRO 180          2HB       PRO 180  -6.634  -6.134   0.546
   53   1HG   PRO 180          1HG       PRO 180  -6.731  -7.789   2.687
   54   2HG   PRO 180          2HG       PRO 180  -5.385  -7.966   1.528
   55   1HD   PRO 180          1HD       PRO 180  -5.327  -6.623   4.268
   56   2HD   PRO 180          2HD       PRO 180  -4.082  -7.635   3.483
   57    H    THR 181           H        THR 181  -5.109  -3.230   3.192
   58    HA   THR 181           HA       THR 181  -6.313  -1.217   1.372
   59    HB   THR 181           HB       THR 181  -6.786  -1.531   3.923
   60    HG1  THR 181           1HG      THR 181  -4.601  -1.499   4.486
   61   1HG2  THR 181          1HG2      THR 181  -6.245   1.363   3.083
   62   2HG2  THR 181          2HG2      THR 181  -7.246   0.813   4.454
   63   3HG2  THR 181          3HG2      THR 181  -7.751   0.455   2.780
   64    H    CYS 182           H        CYS 182  -3.069  -1.361   2.885
   65    HA   CYS 182           HA       CYS 182  -1.958   1.048   1.988
   66   1HB   CYS 182          2HB       CYS 182   0.275   0.037   2.232
   67   2HB   CYS 182          1HB       CYS 182  -0.799  -0.572   3.499
   68    H    TRP 183           H        TRP 183  -2.446  -1.561  -0.234
   69    HA   TRP 183           HA       TRP 183  -0.575  -0.474  -2.293
   70   1HB   TRP 183          1HB       TRP 183  -2.078  -3.078  -2.010
   71   2HB   TRP 183          2HB       TRP 183  -2.164  -2.465  -3.633
   72    HD1  TRP 183           HD       TRP 183   0.295  -3.927  -1.132
   73    HE1  TRP 183           1HE      TRP 183   2.670  -4.370  -2.178
   74    HE3  TRP 183           3HE      TRP 183  -0.549  -1.482  -5.518
   75    HZ2  TRP 183           2HZ      TRP 183   3.839  -3.727  -4.673
   76    HZ3  TRP 183           3HZ      TRP 183   1.273  -1.407  -7.200
   77    HH2  TRP 183           HH       TRP 183   3.422  -2.509  -6.779
   78    H    ALA 184           H        ALA 184  -4.133  -0.647  -2.286
   79    HA   ALA 184           HA       ALA 184  -4.370   0.843  -4.793
   80   1HB   ALA 184          1HB       ALA 184  -6.502   0.417  -2.619
   81   2HB   ALA 184          2HB       ALA 184  -6.159  -0.690  -3.975
   82   3HB   ALA 184          3HB       ALA 184  -6.822   0.928  -4.296
   83    H    ILE 185           H        ILE 185  -4.111   2.140  -1.587
   84    HA   ILE 185           HA       ILE 185  -5.043   4.908  -2.447
   85    HB   ILE 185           HB       ILE 185  -4.343   4.016   0.381
   86   1HG1  ILE 185          2HG1      ILE 185  -6.940   4.639   0.813
   87   2HG1  ILE 185          1HG1      ILE 185  -7.095   4.528  -0.930
   88   1HG2  ILE 185          1HG2      ILE 185  -5.461   6.759  -0.484
   89   2HG2  ILE 185          2HG2      ILE 185  -5.135   6.235   1.195
   90   3HG2  ILE 185          3HG2      ILE 185  -3.800   6.427   0.049
   91   1HD1  ILE 185          1HD1      ILE 185  -6.498   2.062  -0.743
   92   2HD1  ILE 185          2HD1      ILE 185  -7.856   2.494   0.326
   93   3HD1  ILE 185          3HD1      ILE 185  -6.223   2.273   1.007
   94    H    CYS 186           H        CYS 186  -2.136   3.742  -0.754
   95    HA   CYS 186           HA       CYS 186  -0.444   5.956  -1.844
   96   1HB   CYS 186          2HB       CYS 186  -0.135   5.204   0.455
   97   2HB   CYS 186          1HB       CYS 186   0.254   3.554  -0.077
   98    H    LYS 187           H        LYS 187  -0.494   5.666  -3.993
   99    HA   LYS 187           HA       LYS 187   0.844   3.215  -5.310
  100   1HB   LYS 187          1HB       LYS 187  -1.068   5.323  -6.506
  101   2HB   LYS 187          2HB       LYS 187  -0.118   4.227  -7.503
  102   1HG   LYS 187          2HG       LYS 187  -1.226   2.235  -6.487
  103   2HG   LYS 187          1HG       LYS 187  -2.205   3.285  -5.461
  104   1HD   LYS 187          1HD       LYS 187  -3.255   4.336  -7.521
  105   2HD   LYS 187          2HD       LYS 187  -2.274   3.294  -8.556
  106   1HE   LYS 187          2HE       LYS 187  -3.399   1.246  -7.573
  107   2HE   LYS 187          1HE       LYS 187  -4.388   2.292  -6.535
  108   1HZ   LYS 187          1HZ       LYS 187  -5.291   3.337  -8.548
  109   2HZ   LYS 187          2HZ       LYS 187  -5.555   1.707  -8.570
  110   3HZ   LYS 187          3HZ       LYS 187  -4.371   2.363  -9.515
  Start of MODEL    3
    1   1H    PRO 172          1H        PRO 172   6.347   7.151  -1.423
    2    HA   PRO 172           HA       PRO 172   5.065   5.322  -3.232
    3   1HB   PRO 172          1HB       PRO 172   8.096   4.947  -2.801
    4   2HB   PRO 172          2HB       PRO 172   7.051   4.254  -4.068
    5   1HG   PRO 172          2HG       PRO 172   8.493   6.478  -4.629
    6   2HG   PRO 172          1HG       PRO 172   6.787   6.416  -5.153
    7   1HD   PRO 172          2HD       PRO 172   7.965   7.853  -2.732
    8   2HD   PRO 172          1HD       PRO 172   6.682   8.413  -3.842
    9    H    CYS 173           H        CYS 173   4.292   3.766  -1.961
   10    HA   CYS 173           HA       CYS 173   5.074   3.548   0.972
   11   1HB   CYS 173          2HB       CYS 173   2.655   2.484  -0.580
   12   2HB   CYS 173          1HB       CYS 173   2.970   2.177   1.136
   13    H    SER 174           H        SER 174   6.963   2.441   0.867
   14    HA   SER 174           HA       SER 174   7.415  -0.023  -0.705
   15   1HB   SER 174          2HB       SER 174   9.647  -0.076   0.261
   16   2HB   SER 174          1HB       SER 174   9.244   1.542  -0.342
   17    HG   SER 174           HG       SER 174  10.169   1.572   1.734
   18    H    ILE 175           H        ILE 175   7.032   0.384   2.807
   19    HA   ILE 175           HA       ILE 175   7.072  -2.567   3.258
   20    HB   ILE 175           HB       ILE 175   8.185  -1.122   4.856
   21   1HG1  ILE 175          1HG1      ILE 175   7.348  -2.285   7.071
   22   2HG1  ILE 175          2HG1      ILE 175   6.096  -3.004   6.078
   23   1HG2  ILE 175          1HG2      ILE 175   6.566   0.767   5.085
   24   2HG2  ILE 175          2HG2      ILE 175   7.097   0.146   6.664
   25   3HG2  ILE 175          3HG2      ILE 175   5.479  -0.274   6.036
   26   1HD1  ILE 175          1HD1      ILE 175   7.930  -4.219   4.783
   27   2HD1  ILE 175          2HD1      ILE 175   9.155  -3.405   5.793
   28   3HD1  ILE 175          3HD1      ILE 175   8.003  -4.548   6.535
   29    H    CYS 176           H        CYS 176   5.452  -2.932   1.771
   30    HA   CYS 176           HA       CYS 176   2.646  -3.145   2.981
   31   1HB   CYS 176          2HB       CYS 176   2.704  -1.148   1.403
   32   2HB   CYS 176          1HB       CYS 176   3.027  -2.284   0.070
   33    H    SER 177           H        SER 177   2.814  -5.203   3.269
   34    HA   SER 177           HA       SER 177   3.210  -7.192   0.985
   35   1HB   SER 177          2HB       SER 177   4.620  -7.478   3.695
   36   2HB   SER 177          1HB       SER 177   4.547  -8.718   2.429
   37    HG   SER 177           HG       SER 177   6.429  -7.448   2.317
   38    H    ASN 178           H        ASN 178   1.265  -7.969   0.963
   39    HA   ASN 178           HA       ASN 178  -0.867  -8.759   1.434
   40   1HB   ASN 178          1HB       ASN 178   0.570 -10.742   1.913
   41   2HB   ASN 178          2HB       ASN 178   0.484 -10.391   3.627
   42   1HD2  ASN 178          2HD2      ASN 178  -1.582 -10.788   4.677
   43   2HD2  ASN 178          1HD2      ASN 178  -2.864 -11.811   3.855
   44    H    ASN 179           H        ASN 179  -1.615  -6.684   1.944
   45    HA   ASN 179           HA       ASN 179  -3.088  -6.427   4.459
   46   1HB   ASN 179          2HB       ASN 179  -0.870  -5.473   5.229
   47   2HB   ASN 179          1HB       ASN 179  -1.000  -4.224   3.999
   48   1HD2  ASN 179          2HD2      ASN 179  -0.624  -3.193   6.225
   49   2HD2  ASN 179          1HD2      ASN 179  -2.135  -2.572   7.060
   50    HA   PRO 180           HA       PRO 180  -5.112  -5.069   0.388
   51   1HB   PRO 180          2HB       PRO 180  -7.476  -4.866   2.340
   52   2HB   PRO 180          1HB       PRO 180  -7.496  -5.335   0.620
   53   1HG   PRO 180          1HG       PRO 180  -7.487  -7.278   2.509
   54   2HG   PRO 180          2HG       PRO 180  -6.409  -7.449   1.095
   55   1HD   PRO 180          2HD       PRO 180  -5.655  -6.596   3.925
   56   2HD   PRO 180          1HD       PRO 180  -4.738  -7.599   2.766
   57    H    THR 181           H        THR 181  -5.104  -3.096   3.266
   58    HA   THR 181           HA       THR 181  -6.226  -0.697   1.917
   59    HB   THR 181           HB       THR 181  -5.915   0.603   3.864
   60    HG1  THR 181           1HG      THR 181  -7.646  -0.806   3.557
   61   1HG2  THR 181          1HG2      THR 181  -4.705  -1.799   5.355
   62   2HG2  THR 181          2HG2      THR 181  -3.864  -0.267   4.996
   63   3HG2  THR 181          3HG2      THR 181  -5.274  -0.276   6.089
   64    H    CYS 182           H        CYS 182  -2.876  -1.199   3.153
   65    HA   CYS 182           HA       CYS 182  -1.830   1.158   1.872
   66   1HB   CYS 182          2HB       CYS 182   0.415   0.299   2.401
   67   2HB   CYS 182          1HB       CYS 182  -0.698   0.038   3.747
   68    H    TRP 183           H        TRP 183  -2.467  -1.737   0.217
   69    HA   TRP 183           HA       TRP 183  -0.402  -1.333  -1.904
   70   1HB   TRP 183          1HB       TRP 183  -2.150  -3.627  -1.201
   71   2HB   TRP 183          2HB       TRP 183  -2.391  -3.266  -2.877
   72    HD1  TRP 183           HD       TRP 183   0.149  -4.667  -0.451
   73    HE1  TRP 183           1HE      TRP 183   2.351  -5.533  -1.601
   74    HE3  TRP 183           3HE      TRP 183  -0.851  -2.816  -5.091
   75    HZ2  TRP 183           2HZ      TRP 183   3.312  -5.447  -4.253
   76    HZ3  TRP 183           3HZ      TRP 183   0.778  -3.233  -6.903
   77    HH2  TRP 183           HH       TRP 183   2.819  -4.523  -6.491
   78    H    ALA 184           H        ALA 184  -3.931  -0.914  -1.996
   79    HA   ALA 184           HA       ALA 184  -3.877   0.144  -4.747
   80   1HB   ALA 184          1HB       ALA 184  -5.808  -1.123  -3.954
   81   2HB   ALA 184          2HB       ALA 184  -6.302   0.499  -4.501
   82   3HB   ALA 184          3HB       ALA 184  -6.187   0.146  -2.757
   83    H    ILE 185           H        ILE 185  -4.410   1.969  -1.699
   84    HA   ILE 185           HA       ILE 185  -3.215   4.386  -2.905
   85    HB   ILE 185           HB       ILE 185  -6.091   4.877  -1.920
   86   1HG1  ILE 185          1HG1      ILE 185  -6.578   5.617  -4.509
   87   2HG1  ILE 185          2HG1      ILE 185  -5.236   4.546  -4.863
   88   1HG2  ILE 185          1HG2      ILE 185  -4.518   6.792  -1.663
   89   2HG2  ILE 185          2HG2      ILE 185  -4.194   6.791  -3.412
   90   3HG2  ILE 185          3HG2      ILE 185  -5.821   7.193  -2.792
   91   1HD1  ILE 185          1HD1      ILE 185  -7.416   3.427  -5.184
   92   2HD1  ILE 185          2HD1      ILE 185  -6.647   2.648  -3.777
   93   3HD1  ILE 185          3HD1      ILE 185  -7.936   3.844  -3.532
   94    H    CYS 186           H        CYS 186  -1.871   4.466  -1.270
   95    HA   CYS 186           HA       CYS 186  -2.631   3.961   1.629
   96   1HB   CYS 186          2HB       CYS 186  -0.229   4.011   2.120
   97   2HB   CYS 186          1HB       CYS 186  -0.634   2.811   0.886
   98    H    LYS 187           H        LYS 187  -3.491   5.686   2.496
   99    HA   LYS 187           HA       LYS 187  -2.538   8.539   1.931
  100   1HB   LYS 187          1HB       LYS 187  -5.052   7.820   1.790
  101   2HB   LYS 187          2HB       LYS 187  -4.996   7.600   3.536
  102   1HG   LYS 187          2HG       LYS 187  -4.400  10.078   3.762
  103   2HG   LYS 187          1HG       LYS 187  -4.485  10.237   2.007
  104   1HD   LYS 187          2HD       LYS 187  -6.939   9.561   2.070
  105   2HD   LYS 187          1HD       LYS 187  -6.849   9.404   3.826
  106   1HE   LYS 187          1HE       LYS 187  -6.296  11.872   4.022
  107   2HE   LYS 187          2HE       LYS 187  -6.386  12.028   2.257
  108   1HZ   LYS 187          1HZ       LYS 187  -8.709  11.283   2.371
  109   2HZ   LYS 187          2HZ       LYS 187  -8.482  12.623   3.309
  110   3HZ   LYS 187          3HZ       LYS 187  -8.624  11.137   4.015
  Start of MODEL    4
    1   1H    PRO 172          1H        PRO 172   4.421   5.873  -4.596
    2    HA   PRO 172           HA       PRO 172   4.235   3.677  -4.423
    3   1HB   PRO 172          2HB       PRO 172   7.275   3.337  -4.836
    4   2HB   PRO 172          1HB       PRO 172   5.955   2.252  -5.340
    5   1HG   PRO 172          1HG       PRO 172   6.978   4.004  -7.138
    6   2HG   PRO 172          2HG       PRO 172   5.206   3.818  -7.043
    7   1HD   PRO 172          1HD       PRO 172   6.928   6.055  -5.899
    8   2HD   PRO 172          2HD       PRO 172   5.306   6.163  -6.641
    9    H    CYS 173           H        CYS 173   4.007   2.742  -2.486
   10    HA   CYS 173           HA       CYS 173   5.698   3.606  -0.095
   11   1HB   CYS 173          2HB       CYS 173   2.929   2.289  -0.233
   12   2HB   CYS 173          1HB       CYS 173   3.814   2.650   1.261
   13    H    SER 174           H        SER 174   7.260   2.232   0.306
   14    HA   SER 174           HA       SER 174   7.450  -0.531  -0.680
   15   1HB   SER 174          2HB       SER 174   9.420   0.946  -0.535
   16   2HB   SER 174          1HB       SER 174   9.314   0.933   1.236
   17    HG   SER 174           HG       SER 174   9.532  -1.347   1.138
   18    H    ILE 175           H        ILE 175   6.938   0.596   2.647
   19    HA   ILE 175           HA       ILE 175   6.855  -2.192   3.709
   20    HB   ILE 175           HB       ILE 175   7.875  -0.481   5.038
   21   1HG1  ILE 175          1HG1      ILE 175   7.423  -2.503   6.098
   22   2HG1  ILE 175          2HG1      ILE 175   7.352  -1.199   7.244
   23   1HG2  ILE 175          1HG2      ILE 175   5.193   0.764   5.817
   24   2HG2  ILE 175          2HG2      ILE 175   6.802   1.187   6.463
   25   3HG2  ILE 175          3HG2      ILE 175   6.418   1.502   4.752
   26   1HD1  ILE 175          1HD1      ILE 175   5.704  -2.958   7.810
   27   2HD1  ILE 175          2HD1      ILE 175   4.923  -2.811   6.212
   28   3HD1  ILE 175          3HD1      ILE 175   4.821  -1.468   7.382
   29    H    CYS 176           H        CYS 176   5.311  -2.800   2.196
   30    HA   CYS 176           HA       CYS 176   2.479  -2.873   3.311
   31   1HB   CYS 176          1HB       CYS 176   2.524  -1.043   1.525
   32   2HB   CYS 176          2HB       CYS 176   2.879  -2.305   0.326
   33    H    SER 177           H        SER 177   2.658  -4.909   3.789
   34    HA   SER 177           HA       SER 177   3.179  -7.078   1.720
   35   1HB   SER 177          1HB       SER 177   5.353  -6.801   2.883
   36   2HB   SER 177          2HB       SER 177   4.568  -7.088   4.454
   37    HG   SER 177           HG       SER 177   5.473  -8.969   3.551
   38    H    ASN 178           H        ASN 178   1.426  -8.128   1.806
   39    HA   ASN 178           HA       ASN 178  -0.671  -9.026   2.321
   40   1HB   ASN 178          2HB       ASN 178  -0.822 -10.792   3.865
   41   2HB   ASN 178          1HB       ASN 178   0.720 -10.805   3.037
   42   1HD2  ASN 178          1HD2      ASN 178  -0.801 -10.451   6.162
   43   2HD2  ASN 178          2HD2      ASN 178   0.763 -10.499   7.121
   44    H    ASN 179           H        ASN 179  -1.529  -6.903   2.436
   45    HA   ASN 179           HA       ASN 179  -3.322  -6.442   4.661
   46   1HB   ASN 179          1HB       ASN 179  -1.267  -5.332   5.670
   47   2HB   ASN 179          2HB       ASN 179  -1.266  -4.188   4.336
   48   1HD2  ASN 179          1HD2      ASN 179  -1.267  -2.956   6.479
   49   2HD2  ASN 179          2HD2      ASN 179  -2.909  -2.369   7.052
   50    HA   PRO 180           HA       PRO 180  -4.629  -5.229   0.285
   51   1HB   PRO 180          2HB       PRO 180  -7.428  -5.056   0.621
   52   2HB   PRO 180          1HB       PRO 180  -6.489  -6.518   0.290
   53   1HG   PRO 180          2HG       PRO 180  -7.352  -5.434   3.021
   54   2HG   PRO 180          1HG       PRO 180  -7.600  -7.082   2.375
   55   1HD   PRO 180          1HD       PRO 180  -5.489  -6.589   4.043
   56   2HD   PRO 180          2HD       PRO 180  -5.214  -7.602   2.596
   57    H    THR 181           H        THR 181  -5.424  -3.267   3.073
   58    HA   THR 181           HA       THR 181  -6.377  -0.948   1.535
   59    HB   THR 181           HB       THR 181  -6.413   0.388   3.500
   60    HG1  THR 181           1HG      THR 181  -8.010  -1.103   2.950
   61   1HG2  THR 181          1HG2      THR 181  -4.517  -0.381   4.934
   62   2HG2  THR 181          2HG2      THR 181  -6.073  -0.454   5.804
   63   3HG2  THR 181          3HG2      THR 181  -5.330  -1.950   5.179
   64    H    CYS 182           H        CYS 182  -3.188  -1.291   3.167
   65    HA   CYS 182           HA       CYS 182  -2.137   1.183   2.213
   66   1HB   CYS 182          2HB       CYS 182   0.122   0.357   2.805
   67   2HB   CYS 182          1HB       CYS 182  -1.086  -0.033   4.025
   68    H    TRP 183           H        TRP 183  -2.345  -1.601   0.226
   69    HA   TRP 183           HA       TRP 183  -0.154  -0.730  -1.599
   70   1HB   TRP 183          1HB       TRP 183  -1.003  -3.289  -1.103
   71   2HB   TRP 183          2HB       TRP 183  -2.000  -2.961  -2.504
   72    HD1  TRP 183           HD       TRP 183   1.640  -3.265  -1.309
   73    HE1  TRP 183           1HE      TRP 183   3.373  -3.572  -3.242
   74    HE3  TRP 183           3HE      TRP 183  -1.658  -2.554  -5.122
   75    HZ2  TRP 183           2HZ      TRP 183   3.140  -3.573  -6.075
   76    HZ3  TRP 183           3HZ      TRP 183  -0.825  -2.703  -7.445
   77    HH2  TRP 183           HH       TRP 183   1.528  -3.203  -7.910
   78    H    ALA 184           H        ALA 184  -3.660  -0.961  -2.155
   79    HA   ALA 184           HA       ALA 184  -3.514   0.418  -4.759
   80   1HB   ALA 184          1HB       ALA 184  -5.972  -0.171  -3.028
   81   2HB   ALA 184          2HB       ALA 184  -5.996   0.326  -4.741
   82   3HB   ALA 184          3HB       ALA 184  -5.285  -1.241  -4.281
   83    H    ILE 185           H        ILE 185  -4.151   1.777  -1.575
   84    HA   ILE 185           HA       ILE 185  -4.040   4.527  -2.760
   85    HB   ILE 185           HB       ILE 185  -6.419   4.038  -2.833
   86   1HG1  ILE 185          2HG1      ILE 185  -7.282   6.247  -1.612
   87   2HG1  ILE 185          1HG1      ILE 185  -5.628   6.413  -1.056
   88   1HG2  ILE 185          1HG2      ILE 185  -7.972   3.966  -0.932
   89   2HG2  ILE 185          2HG2      ILE 185  -6.618   4.090   0.226
   90   3HG2  ILE 185          3HG2      ILE 185  -6.785   2.647  -0.804
   91   1HD1  ILE 185          1HD1      ILE 185  -4.915   6.656  -3.495
   92   2HD1  ILE 185          2HD1      ILE 185  -6.611   6.418  -3.994
   93   3HD1  ILE 185          3HD1      ILE 185  -6.158   7.848  -3.028
   94    H    CYS 186           H        CYS 186  -2.124   4.655  -1.880
   95    HA   CYS 186           HA       CYS 186  -1.578   4.287   1.081
   96   1HB   CYS 186          2HB       CYS 186   0.036   3.388  -0.583
   97   2HB   CYS 186          1HB       CYS 186   0.311   5.024  -1.219
   98    H    LYS 187           H        LYS 187  -2.263   5.941   2.212
   99    HA   LYS 187           HA       LYS 187  -1.404   8.826   1.621
  100   1HB   LYS 187          1HB       LYS 187  -4.259   7.963   2.347
  101   2HB   LYS 187          2HB       LYS 187  -3.707   9.607   2.563
  102   1HG   LYS 187          1HG       LYS 187  -3.718   8.235  -0.180
  103   2HG   LYS 187          2HG       LYS 187  -5.117   9.048   0.466
  104   1HD   LYS 187          1HD       LYS 187  -2.425  10.495   0.006
  105   2HD   LYS 187          2HD       LYS 187  -3.637  10.290  -1.239
  106   1HE   LYS 187          2HE       LYS 187  -4.002  12.484  -0.508
  107   2HE   LYS 187          1HE       LYS 187  -5.319  11.578   0.239
  108   1HZ   LYS 187          1HZ       LYS 187  -2.787  12.397   1.600
  109   2HZ   LYS 187          2HZ       LYS 187  -4.268  13.099   1.809
  110   3HZ   LYS 187          3HZ       LYS 187  -4.008  11.549   2.320
  Start of MODEL    5
    1   1H    PRO 172          1H        PRO 172   5.883   6.198  -3.973
    2    HA   PRO 172           HA       PRO 172   4.223   3.909  -4.485
    3   1HB   PRO 172          2HB       PRO 172   7.264   3.495  -4.777
    4   2HB   PRO 172          1HB       PRO 172   5.932   2.447  -5.329
    5   1HG   PRO 172          1HG       PRO 172   7.081   4.152  -7.095
    6   2HG   PRO 172          2HG       PRO 172   5.300   4.026  -7.069
    7   1HD   PRO 172          1HD       PRO 172   7.055   6.195  -5.832
    8   2HD   PRO 172          2HD       PRO 172   5.498   6.380  -6.687
    9    H    CYS 173           H        CYS 173   3.908   3.025  -2.540
   10    HA   CYS 173           HA       CYS 173   5.565   3.877  -0.110
   11   1HB   CYS 173          1HB       CYS 173   2.738   2.702  -0.288
   12   2HB   CYS 173          2HB       CYS 173   3.593   3.091   1.217
   13    H    SER 174           H        SER 174   7.094   2.443   0.240
   14    HA   SER 174           HA       SER 174   7.146  -0.324  -0.729
   15   1HB   SER 174          1HB       SER 174   9.080   1.100   1.155
   16   2HB   SER 174          2HB       SER 174   9.368  -0.484   0.417
   17    HG   SER 174           HG       SER 174   9.094   0.497  -1.626
   18    H    ILE 175           H        ILE 175   6.526   0.815   2.557
   19    HA   ILE 175           HA       ILE 175   6.597  -1.950   3.677
   20    HB   ILE 175           HB       ILE 175   7.477  -0.125   4.982
   21   1HG1  ILE 175          2HG1      ILE 175   5.323  -1.467   6.726
   22   2HG1  ILE 175          1HG1      ILE 175   6.584  -2.409   5.988
   23   1HG2  ILE 175          1HG2      ILE 175   6.115   1.452   6.363
   24   2HG2  ILE 175          2HG2      ILE 175   4.614   0.844   5.614
   25   3HG2  ILE 175          3HG2      ILE 175   5.816   1.712   4.624
   26   1HD1  ILE 175          1HD1      ILE 175   7.194  -1.978   8.292
   27   2HD1  ILE 175          2HD1      ILE 175   8.377  -1.202   7.205
   28   3HD1  ILE 175          3HD1      ILE 175   7.145  -0.214   8.035
   29    H    CYS 176           H        CYS 176   5.152  -2.666   2.090
   30    HA   CYS 176           HA       CYS 176   2.318  -2.990   3.144
   31   1HB   CYS 176          2HB       CYS 176   2.269  -1.113   1.374
   32   2HB   CYS 176          1HB       CYS 176   2.669  -2.350   0.166
   33    H    SER 177           H        SER 177   2.726  -5.008   3.596
   34    HA   SER 177           HA       SER 177   3.593  -7.024   1.452
   35   1HB   SER 177          1HB       SER 177   4.898  -8.305   3.041
   36   2HB   SER 177          2HB       SER 177   5.485  -6.634   2.950
   37    HG   SER 177           HG       SER 177   5.255  -7.380   5.085
   38    H    ASN 178           H        ASN 178   1.901  -7.045   4.615
   39    HA   ASN 178           HA       ASN 178  -0.222  -8.847   3.385
   40   1HB   ASN 178          1HB       ASN 178  -0.302 -10.479   5.075
   41   2HB   ASN 178          2HB       ASN 178   1.301 -10.419   4.386
   42   1HD2  ASN 178          2HD2      ASN 178  -0.516  -9.991   7.329
   43   2HD2  ASN 178          1HD2      ASN 178   0.951  -9.818   8.416
   44    H    ASN 179           H        ASN 179  -1.282  -6.860   3.258
   45    HA   ASN 179           HA       ASN 179  -3.111  -6.235   5.406
   46   1HB   ASN 179          1HB       ASN 179  -1.143  -4.852   6.255
   47   2HB   ASN 179          2HB       ASN 179  -1.210  -3.882   4.796
   48   1HD2  ASN 179          2HD2      ASN 179  -2.964  -2.367   4.622
   49   2HD2  ASN 179          1HD2      ASN 179  -4.062  -1.995   6.044
   50    HA   PRO 180           HA       PRO 180  -4.427  -5.784   0.889
   51   1HB   PRO 180          1HB       PRO 180  -7.238  -5.780   1.170
   52   2HB   PRO 180          2HB       PRO 180  -6.183  -7.196   1.074
   53   1HG   PRO 180          1HG       PRO 180  -7.180  -5.781   3.600
   54   2HG   PRO 180          2HG       PRO 180  -7.290  -7.521   3.212
   55   1HD   PRO 180          1HD       PRO 180  -5.256  -6.621   4.801
   56   2HD   PRO 180          2HD       PRO 180  -4.875  -7.815   3.526
   57    H    THR 181           H        THR 181  -5.466  -3.478   3.318
   58    HA   THR 181           HA       THR 181  -6.518  -1.506   1.377
   59    HB   THR 181           HB       THR 181  -7.210  -1.787   3.875
   60    HG1  THR 181           1HG      THR 181  -5.082  -1.724   4.626
   61   1HG2  THR 181          1HG2      THR 181  -6.621   1.101   3.040
   62   2HG2  THR 181          2HG2      THR 181  -7.730   0.565   4.331
   63   3HG2  THR 181          3HG2      THR 181  -8.089   0.175   2.627
   64    H    CYS 182           H        CYS 182  -3.429  -1.479   3.232
   65    HA   CYS 182           HA       CYS 182  -2.354   0.921   2.267
   66   1HB   CYS 182          2HB       CYS 182  -0.091   0.113   2.844
   67   2HB   CYS 182          1HB       CYS 182  -1.291  -0.365   4.038
   68    H    TRP 183           H        TRP 183  -2.533  -1.764   0.155
   69    HA   TRP 183           HA       TRP 183  -0.335  -0.834  -1.606
   70   1HB   TRP 183          2HB       TRP 183  -1.319  -3.375  -1.309
   71   2HB   TRP 183          1HB       TRP 183  -2.279  -2.900  -2.692
   72    HD1  TRP 183           HD       TRP 183   1.330  -3.453  -1.478
   73    HE1  TRP 183           1HE      TRP 183   3.082  -3.668  -3.404
   74    HE3  TRP 183           3HE      TRP 183  -1.875  -2.323  -5.272
   75    HZ2  TRP 183           2HZ      TRP 183   2.894  -3.459  -6.233
   76    HZ3  TRP 183           3HZ      TRP 183  -1.008  -2.324  -7.586
   77    HH2  TRP 183           HH       TRP 183   1.331  -2.881  -8.056
   78    H    ALA 184           H        ALA 184  -3.847  -0.731  -2.106
   79    HA   ALA 184           HA       ALA 184  -3.659   0.718  -4.675
   80   1HB   ALA 184          1HB       ALA 184  -6.139   0.949  -4.484
   81   2HB   ALA 184          2HB       ALA 184  -5.628  -0.704  -4.082
   82   3HB   ALA 184          3HB       ALA 184  -6.061   0.434  -2.777
   83    H    ILE 185           H        ILE 185  -3.598   1.988  -1.471
   84    HA   ILE 185           HA       ILE 185  -4.721   4.611  -2.040
   85    HB   ILE 185           HB       ILE 185  -4.673   3.596   0.245
   86   1HG1  ILE 185          2HG1      ILE 185  -4.280   5.799   1.599
   87   2HG1  ILE 185          1HG1      ILE 185  -3.766   6.518   0.085
   88   1HG2  ILE 185          1HG2      ILE 185  -2.288   2.889   0.392
   89   2HG2  ILE 185          2HG2      ILE 185  -2.817   3.811   1.816
   90   3HG2  ILE 185          3HG2      ILE 185  -1.796   4.591   0.575
   91   1HD1  ILE 185          1HD1      ILE 185  -6.113   7.100   0.704
   92   2HD1  ILE 185          2HD1      ILE 185  -6.569   5.375   0.740
   93   3HD1  ILE 185          3HD1      ILE 185  -6.129   6.149  -0.806
   94    H    CYS 186           H        CYS 186  -1.335   3.735  -2.033
   95    HA   CYS 186           HA       CYS 186  -0.409   6.507  -2.709
   96   1HB   CYS 186          1HB       CYS 186   1.197   3.888  -2.620
   97   2HB   CYS 186          2HB       CYS 186   1.868   5.514  -2.827
   98    H    LYS 187           H        LYS 187  -0.401   7.185  -4.685
   99    HA   LYS 187           HA       LYS 187  -0.571   5.371  -7.142
  100   1HB   LYS 187          1HB       LYS 187  -2.252   7.322  -6.678
  101   2HB   LYS 187          2HB       LYS 187  -0.913   8.429  -6.968
  102   1HG   LYS 187          2HG       LYS 187  -0.719   7.465  -9.331
  103   2HG   LYS 187          1HG       LYS 187  -2.078   6.393  -8.984
  104   1HD   LYS 187          1HD       LYS 187  -3.573   8.420  -8.607
  105   2HD   LYS 187          2HD       LYS 187  -2.210   9.488  -8.956
  106   1HE   LYS 187          2HE       LYS 187  -2.067   8.542 -11.305
  107   2HE   LYS 187          1HE       LYS 187  -3.436   7.471 -10.954
  108   1HZ   LYS 187          1HZ       LYS 187  -3.518  10.450 -10.840
  109   2HZ   LYS 187          2HZ       LYS 187  -4.159   9.509 -12.037
  110   3HZ   LYS 187          3HZ       LYS 187  -4.794   9.452 -10.514
  Start of MODEL    6
    1   1H    PRO 172          1H        PRO 172   5.960   6.719  -3.265
    2    HA   PRO 172           HA       PRO 172   5.235   4.726  -3.889
    3   1HB   PRO 172          1HB       PRO 172   8.116   3.616  -3.861
    4   2HB   PRO 172          2HB       PRO 172   6.758   3.168  -4.926
    5   1HG   PRO 172          2HG       PRO 172   8.591   4.961  -5.810
    6   2HG   PRO 172          1HG       PRO 172   6.860   5.298  -6.092
    7   1HD   PRO 172          2HD       PRO 172   8.692   6.496  -3.973
    8   2HD   PRO 172          1HD       PRO 172   7.389   7.291  -4.901
    9    H    CYS 173           H        CYS 173   4.290   3.429  -2.452
   10    HA   CYS 173           HA       CYS 173   5.380   3.087   0.356
   11   1HB   CYS 173          1HB       CYS 173   3.123   2.404   0.963
   12   2HB   CYS 173          2HB       CYS 173   3.107   3.942   0.088
   13    H    SER 174           H        SER 174   7.011   1.633  -0.034
   14    HA   SER 174           HA       SER 174   6.654  -0.971  -1.385
   15   1HB   SER 174          2HB       SER 174   8.981  -1.425  -0.844
   16   2HB   SER 174          1HB       SER 174   8.786   0.197  -1.533
   17    HG   SER 174           HG       SER 174  10.095   0.172   0.324
   18    H    ILE 175           H        ILE 175   7.065  -0.253   2.073
   19    HA   ILE 175           HA       ILE 175   6.639  -3.110   2.814
   20    HB   ILE 175           HB       ILE 175   8.292  -1.817   3.999
   21   1HG1  ILE 175          2HG1      ILE 175   6.359  -2.902   6.137
   22   2HG1  ILE 175          1HG1      ILE 175   7.078  -3.967   4.966
   23   1HG2  ILE 175          1HG2      ILE 175   6.070  -0.325   5.540
   24   2HG2  ILE 175          2HG2      ILE 175   7.821  -0.242   5.880
   25   3HG2  ILE 175          3HG2      ILE 175   7.179   0.396   4.343
   26   1HD1  ILE 175          1HD1      ILE 175   8.343  -4.124   7.024
   27   2HD1  ILE 175          2HD1      ILE 175   9.383  -3.468   5.731
   28   3HD1  ILE 175          3HD1      ILE 175   8.728  -2.382   6.986
   29    H    CYS 176           H        CYS 176   4.702  -3.169   1.656
   30    HA   CYS 176           HA       CYS 176   2.213  -2.790   3.418
   31   1HB   CYS 176          2HB       CYS 176   2.250  -0.921   1.769
   32   2HB   CYS 176          1HB       CYS 176   2.292  -2.105   0.443
   33    H    SER 177           H        SER 177   2.352  -4.873   3.899
   34    HA   SER 177           HA       SER 177   1.446  -6.955   1.882
   35   1HB   SER 177          1HB       SER 177   3.125  -8.645   2.488
   36   2HB   SER 177          2HB       SER 177   3.914  -7.177   1.878
   37    HG   SER 177           HG       SER 177   3.489  -7.848   4.607
   38    H    ASN 178           H        ASN 178   1.823  -6.353   5.342
   39    HA   ASN 178           HA       ASN 178   0.598  -8.812   6.245
   40   1HB   ASN 178          2HB       ASN 178   0.481  -7.917   8.458
   41   2HB   ASN 178          1HB       ASN 178   2.020  -7.569   7.712
   42   1HD2  ASN 178          2HD2      ASN 178   2.444  -5.301   7.122
   43   2HD2  ASN 178          1HD2      ASN 178   1.542  -3.967   8.004
   44    H    ASN 179           H        ASN 179  -1.215  -5.925   5.330
   45    HA   ASN 179           HA       ASN 179  -3.790  -7.365   5.836
   46   1HB   ASN 179          2HB       ASN 179  -3.402  -6.072   7.980
   47   2HB   ASN 179          1HB       ASN 179  -3.347  -4.576   7.062
   48   1HD2  ASN 179          2HD2      ASN 179  -5.379  -3.762   6.266
   49   2HD2  ASN 179          1HD2      ASN 179  -6.979  -4.481   6.802
   50    HA   PRO 180           HA       PRO 180  -3.264  -5.318   1.631
   51   1HB   PRO 180          1HB       PRO 180  -5.714  -7.017   1.001
   52   2HB   PRO 180          2HB       PRO 180  -4.318  -6.616  -0.030
   53   1HG   PRO 180          2HG       PRO 180  -4.371  -9.011   1.249
   54   2HG   PRO 180          1HG       PRO 180  -2.854  -8.066   1.238
   55   1HD   PRO 180          1HD       PRO 180  -4.883  -8.300   3.515
   56   2HD   PRO 180          2HD       PRO 180  -3.100  -8.283   3.585
   57    H    THR 181           H        THR 181  -3.726  -3.338   2.219
   58    HA   THR 181           HA       THR 181  -6.267  -2.074   1.423
   59    HB   THR 181           HB       THR 181  -6.835  -0.745   3.342
   60    HG1  THR 181           1HG      THR 181  -7.784  -2.729   2.843
   61   1HG2  THR 181          1HG2      THR 181  -5.021  -2.503   5.103
   62   2HG2  THR 181          2HG2      THR 181  -4.801  -0.757   4.810
   63   3HG2  THR 181          3HG2      THR 181  -6.245  -1.342   5.680
   64    H    CYS 182           H        CYS 182  -3.293  -1.177   3.224
   65    HA   CYS 182           HA       CYS 182  -2.885   1.405   2.133
   66   1HB   CYS 182          1HB       CYS 182  -0.431   1.064   2.810
   67   2HB   CYS 182          2HB       CYS 182  -1.644   0.676   4.022
   68    H    TRP 183           H        TRP 183  -2.430  -1.361   0.212
   69    HA   TRP 183           HA       TRP 183  -0.322  -0.257  -1.519
   70   1HB   TRP 183          1HB       TRP 183  -1.088  -2.859  -1.135
   71   2HB   TRP 183          2HB       TRP 183  -2.078  -2.544  -2.538
   72    HD1  TRP 183           HD       TRP 183   1.457  -3.107  -1.355
   73    HE1  TRP 183           1HE      TRP 183   3.288  -3.076  -3.212
   74    HE3  TRP 183           3HE      TRP 183  -1.601  -1.534  -5.102
   75    HZ2  TRP 183           2HZ      TRP 183   3.203  -2.563  -6.014
   76    HZ3  TRP 183           3HZ      TRP 183  -0.651  -1.276  -7.370
   77    HH2  TRP 183           HH       TRP 183   1.705  -1.780  -7.816
   78    H    ALA 184           H        ALA 184  -3.812  -0.430  -2.108
   79    HA   ALA 184           HA       ALA 184  -3.674   0.703  -4.819
   80   1HB   ALA 184          1HB       ALA 184  -6.059   0.502  -2.888
   81   2HB   ALA 184          2HB       ALA 184  -6.176   0.796  -4.642
   82   3HB   ALA 184          3HB       ALA 184  -5.551  -0.755  -4.047
   83    H    ILE 185           H        ILE 185  -3.428   2.503  -1.926
   84    HA   ILE 185           HA       ILE 185  -4.036   5.078  -3.415
   85    HB   ILE 185           HB       ILE 185  -5.119   4.706  -0.620
   86   1HG1  ILE 185          2HG1      ILE 185  -6.653   3.426  -1.854
   87   2HG1  ILE 185          1HG1      ILE 185  -7.467   4.856  -1.310
   88   1HG2  ILE 185          1HG2      ILE 185  -5.554   7.155  -2.413
   89   2HG2  ILE 185          2HG2      ILE 185  -4.391   7.047  -1.067
   90   3HG2  ILE 185          3HG2      ILE 185  -6.134   6.949  -0.738
   91   1HD1  ILE 185          1HD1      ILE 185  -8.284   4.165  -3.543
   92   2HD1  ILE 185          2HD1      ILE 185  -7.463   5.741  -3.711
   93   3HD1  ILE 185          3HD1      ILE 185  -6.639   4.246  -4.229
   94    H    CYS 186           H        CYS 186  -1.930   5.347  -3.532
   95    HA   CYS 186           HA       CYS 186  -0.270   5.920  -1.017
   96   1HB   CYS 186          2HB       CYS 186   0.675   4.289  -3.448
   97   2HB   CYS 186          1HB       CYS 186   1.772   5.019  -2.259
   98    H    LYS 187           H        LYS 187   0.182   7.986  -1.136
   99    HA   LYS 187           HA       LYS 187   1.120   9.359  -3.701
  100   1HB   LYS 187          2HB       LYS 187  -1.137  10.425  -1.883
  101   2HB   LYS 187          1HB       LYS 187  -0.230  11.466  -2.976
  102   1HG   LYS 187          2HG       LYS 187  -0.995  10.153  -4.959
  103   2HG   LYS 187          1HG       LYS 187  -1.915   9.074  -3.909
  104   1HD   LYS 187          2HD       LYS 187  -3.339  11.030  -3.134
  105   2HD   LYS 187          1HD       LYS 187  -2.420  12.115  -4.182
  106   1HE   LYS 187          2HE       LYS 187  -3.200  10.816  -6.215
  107   2HE   LYS 187          1HE       LYS 187  -4.122   9.727  -5.163
  108   1HZ   LYS 187          1HZ       LYS 187  -5.510  11.512  -6.024
  109   2HZ   LYS 187          2HZ       LYS 187  -5.397  11.659  -4.382
  110   3HZ   LYS 187          3HZ       LYS 187  -4.537  12.673  -5.364
  Start of MODEL    7
    1   1H    PRO 172          1H        PRO 172   5.040   6.568  -2.935
    2    HA   PRO 172           HA       PRO 172   4.980   4.416  -3.433
    3   1HB   PRO 172          1HB       PRO 172   7.989   4.134  -2.801
    4   2HB   PRO 172          2HB       PRO 172   7.018   3.263  -4.016
    5   1HG   PRO 172          1HG       PRO 172   8.465   5.422  -4.788
    6   2HG   PRO 172          2HG       PRO 172   6.792   5.257  -5.389
    7   1HD   PRO 172          1HD       PRO 172   7.822   7.048  -3.151
    8   2HD   PRO 172          2HD       PRO 172   6.561   7.395  -4.366
    9    H    CYS 173           H        CYS 173   4.151   3.001  -2.032
   10    HA   CYS 173           HA       CYS 173   4.838   3.102   0.944
   11   1HB   CYS 173          1HB       CYS 173   2.397   1.954  -0.517
   12   2HB   CYS 173          2HB       CYS 173   2.677   1.881   1.231
   13    H    SER 174           H        SER 174   6.514   1.770   1.210
   14    HA   SER 174           HA       SER 174   6.998  -0.728  -0.292
   15   1HB   SER 174          1HB       SER 174   8.528   0.429   2.067
   16   2HB   SER 174          2HB       SER 174   9.017  -0.994   1.129
   17    HG   SER 174           HG       SER 174   8.511   1.604   0.091
   18    H    ILE 175           H        ILE 175   6.299  -0.379   3.215
   19    HA   ILE 175           HA       ILE 175   5.820  -3.305   3.499
   20    HB   ILE 175           HB       ILE 175   5.241  -2.873   5.810
   21   1HG1  ILE 175          1HG1      ILE 175   4.260  -0.763   6.013
   22   2HG1  ILE 175          2HG1      ILE 175   5.558  -0.918   7.156
   23   1HG2  ILE 175          1HG2      ILE 175   7.514  -3.540   5.256
   24   2HG2  ILE 175          2HG2      ILE 175   8.032  -1.834   5.251
   25   3HG2  ILE 175          3HG2      ILE 175   7.445  -2.587   6.759
   26   1HD1  ILE 175          1HD1      ILE 175   5.612   0.837   4.613
   27   2HD1  ILE 175          2HD1      ILE 175   6.964   0.690   5.767
   28   3HD1  ILE 175          3HD1      ILE 175   5.414   1.399   6.295
   29    H    CYS 176           H        CYS 176   4.294  -3.207   1.727
   30    HA   CYS 176           HA       CYS 176   1.421  -3.257   2.795
   31   1HB   CYS 176          2HB       CYS 176   2.249  -1.893   0.187
   32   2HB   CYS 176          1HB       CYS 176   0.568  -2.241   0.655
   33    H    SER 177           H        SER 177   1.695  -5.423   2.937
   34    HA   SER 177           HA       SER 177   1.285  -7.062   0.469
   35   1HB   SER 177          2HB       SER 177   3.680  -7.834   2.212
   36   2HB   SER 177          1HB       SER 177   3.029  -8.766   0.848
   37    HG   SER 177           HG       SER 177   4.751  -7.409   0.251
   38    H    ASN 178           H        ASN 178   1.713  -7.479   3.997
   39    HA   ASN 178           HA       ASN 178  -0.040  -9.894   4.034
   40   1HB   ASN 178          2HB       ASN 178   1.983  -9.570   5.543
   41   2HB   ASN 178          1HB       ASN 178   1.083  -8.358   6.436
   42   1HD2  ASN 178          2HD2      ASN 178  -0.644  -9.157   7.810
   43   2HD2  ASN 178          1HD2      ASN 178  -0.766 -10.941   8.222
   44    H    ASN 179           H        ASN 179  -0.620  -6.498   5.057
   45    HA   ASN 179           HA       ASN 179  -3.561  -7.175   5.591
   46   1HB   ASN 179          2HB       ASN 179  -2.285  -6.295   7.618
   47   2HB   ASN 179          1HB       ASN 179  -1.943  -4.827   6.716
   48   1HD2  ASN 179          1HD2      ASN 179  -4.440  -6.611   8.408
   49   2HD2  ASN 179          2HD2      ASN 179  -5.682  -5.262   8.357
   50    HA   PRO 180           HA       PRO 180  -2.973  -4.936   1.470
   51   1HB   PRO 180          2HB       PRO 180  -5.067  -6.038   0.002
   52   2HB   PRO 180          1HB       PRO 180  -3.437  -6.712   0.180
   53   1HG   PRO 180          2HG       PRO 180  -5.937  -7.414   1.802
   54   2HG   PRO 180          1HG       PRO 180  -4.805  -8.543   1.002
   55   1HD   PRO 180          1HD       PRO 180  -4.536  -8.000   3.684
   56   2HD   PRO 180          2HD       PRO 180  -3.074  -8.104   2.667
   57    H    THR 181           H        THR 181  -3.396  -3.039   2.333
   58    HA   THR 181           HA       THR 181  -6.074  -1.745   1.876
   59    HB   THR 181           HB       THR 181  -4.786  -1.613   4.659
   60    HG1  THR 181           1HG      THR 181  -5.408   0.410   3.866
   61   1HG2  THR 181          1HG2      THR 181  -7.696  -2.302   3.878
   62   2HG2  THR 181          2HG2      THR 181  -7.057  -2.175   5.538
   63   3HG2  THR 181          3HG2      THR 181  -6.483  -3.474   4.459
   64    H    CYS 182           H        CYS 182  -2.770  -0.887   3.184
   65    HA   CYS 182           HA       CYS 182  -2.769   1.698   1.815
   66   1HB   CYS 182          1HB       CYS 182  -0.390   1.843   2.540
   67   2HB   CYS 182          2HB       CYS 182  -1.498   1.374   3.828
   68    H    TRP 183           H        TRP 183  -2.308  -1.218   0.309
   69    HA   TRP 183           HA       TRP 183  -0.228  -0.454  -1.637
   70   1HB   TRP 183          2HB       TRP 183  -0.939  -2.903  -0.903
   71   2HB   TRP 183          1HB       TRP 183  -2.203  -2.738  -2.107
   72    HD1  TRP 183           HD       TRP 183   1.600  -2.954  -1.648
   73    HE1  TRP 183           1HE      TRP 183   2.888  -3.615  -3.808
   74    HE3  TRP 183           3HE      TRP 183  -2.412  -2.668  -4.761
   75    HZ2  TRP 183           2HZ      TRP 183   2.079  -3.970  -6.521
   76    HZ3  TRP 183           3HZ      TRP 183  -2.083  -3.178  -7.158
   77    HH2  TRP 183           HH       TRP 183   0.121  -3.817  -8.019
   78    H    ALA 184           H        ALA 184  -3.769  -0.585  -2.074
   79    HA   ALA 184           HA       ALA 184  -3.675   0.391  -4.858
   80   1HB   ALA 184          1HB       ALA 184  -6.063   0.270  -2.936
   81   2HB   ALA 184          2HB       ALA 184  -5.537  -1.035  -4.034
   82   3HB   ALA 184          3HB       ALA 184  -6.159   0.492  -4.703
   83    H    ILE 185           H        ILE 185  -3.915   2.270  -1.883
   84    HA   ILE 185           HA       ILE 185  -3.906   4.808  -3.522
   85    HB   ILE 185           HB       ILE 185  -5.355   5.936  -1.931
   86   1HG1  ILE 185          1HG1      ILE 185  -5.534   4.763   0.066
   87   2HG1  ILE 185          2HG1      ILE 185  -7.126   5.075  -0.541
   88   1HG2  ILE 185          1HG2      ILE 185  -7.510   5.526  -3.008
   89   2HG2  ILE 185          2HG2      ILE 185  -6.944   3.934  -3.578
   90   3HG2  ILE 185          3HG2      ILE 185  -6.178   5.427  -4.180
   91   1HD1  ILE 185          1HD1      ILE 185  -7.369   2.613  -1.152
   92   2HD1  ILE 185          2HD1      ILE 185  -7.029   2.871   0.580
   93   3HD1  ILE 185          3HD1      ILE 185  -5.730   2.317  -0.511
   94    H    CYS 186           H        CYS 186  -1.785   4.850  -3.167
   95    HA   CYS 186           HA       CYS 186  -0.586   4.902  -0.387
   96   1HB   CYS 186          2HB       CYS 186   0.527   3.596  -2.175
   97   2HB   CYS 186          1HB       CYS 186   0.720   5.061  -3.159
   98    H    LYS 187           H        LYS 187  -0.856   6.773   0.562
   99    HA   LYS 187           HA       LYS 187  -0.147   9.444  -0.789
  100   1HB   LYS 187          2HB       LYS 187  -2.688   9.063  -0.556
  101   2HB   LYS 187          1HB       LYS 187  -2.499   9.029   1.178
  102   1HG   LYS 187          1HG       LYS 187  -1.713  11.434  -0.622
  103   2HG   LYS 187          2HG       LYS 187  -3.355  11.165  -0.057
  104   1HD   LYS 187          1HD       LYS 187  -2.619  11.339   2.340
  105   2HD   LYS 187          2HD       LYS 187  -0.952  11.588   1.821
  106   1HE   LYS 187          2HE       LYS 187  -1.630  13.730   0.643
  107   2HE   LYS 187          1HE       LYS 187  -3.309  13.480   1.162
  108   1HZ   LYS 187          1HZ       LYS 187  -2.538  13.553   3.479
  109   2HZ   LYS 187          2HZ       LYS 187  -0.975  13.787   2.995
  110   3HZ   LYS 187          3HZ       LYS 187  -2.118  14.939   2.684
  Start of MODEL    8
    1   1H    PRO 172          1H        PRO 172   7.388   6.584   1.588
    2    HA   PRO 172           HA       PRO 172   6.710   5.920  -1.126
    3   1HB   PRO 172          2HB       PRO 172   9.251   4.607   0.027
    4   2HB   PRO 172          1HB       PRO 172   8.714   4.709  -1.669
    5   1HG   PRO 172          2HG       PRO 172  10.525   6.505  -0.754
    6   2HG   PRO 172          1HG       PRO 172   9.172   7.097  -1.759
    7   1HD   PRO 172          2HD       PRO 172   9.465   7.227   1.276
    8   2HD   PRO 172          1HD       PRO 172   8.806   8.464   0.170
    9    H    CYS 173           H        CYS 173   5.309   4.294  -0.944
   10    HA   CYS 173           HA       CYS 173   4.749   2.947   1.700
   11   1HB   CYS 173          2HB       CYS 173   2.658   2.225   0.667
   12   2HB   CYS 173          1HB       CYS 173   2.900   3.962   0.425
   13    H    SER 174           H        SER 174   6.767   1.796   1.698
   14    HA   SER 174           HA       SER 174   7.289  -0.422  -0.199
   15   1HB   SER 174          1HB       SER 174   9.151   0.849   0.720
   16   2HB   SER 174          2HB       SER 174   8.754   0.304   2.362
   17    HG   SER 174           HG       SER 174   9.022  -1.845   1.617
   18    H    ILE 175           H        ILE 175   6.498  -0.582   3.263
   19    HA   ILE 175           HA       ILE 175   6.001  -3.509   3.094
   20    HB   ILE 175           HB       ILE 175   7.146  -2.601   5.006
   21   1HG1  ILE 175          2HG1      ILE 175   4.724  -4.146   6.116
   22   2HG1  ILE 175          1HG1      ILE 175   5.817  -4.895   4.991
   23   1HG2  ILE 175          1HG2      ILE 175   5.861  -0.522   5.537
   24   2HG2  ILE 175          2HG2      ILE 175   6.047  -1.545   6.986
   25   3HG2  ILE 175          3HG2      ILE 175   4.487  -1.496   6.121
   26   1HD1  ILE 175          1HD1      ILE 175   6.414  -5.601   7.229
   27   2HD1  ILE 175          2HD1      ILE 175   7.756  -4.665   6.519
   28   3HD1  ILE 175          3HD1      ILE 175   6.697  -3.917   7.745
   29    H    CYS 176           H        CYS 176   4.500  -3.257   1.434
   30    HA   CYS 176           HA       CYS 176   1.579  -3.227   2.430
   31   1HB   CYS 176          1HB       CYS 176   2.500  -1.969  -0.194
   32   2HB   CYS 176          2HB       CYS 176   0.815  -2.178   0.322
   33    H    SER 177           H        SER 177   1.855  -5.398   2.645
   34    HA   SER 177           HA       SER 177   1.337  -7.105   0.231
   35   1HB   SER 177          2HB       SER 177   3.074  -8.807   0.636
   36   2HB   SER 177          1HB       SER 177   3.813  -7.220   0.339
   37    HG   SER 177           HG       SER 177   3.949  -6.955   2.609
   38    H    ASN 178           H        ASN 178   1.370  -7.017   3.738
   39    HA   ASN 178           HA       ASN 178  -0.191  -9.623   3.916
   40   1HB   ASN 178          1HB       ASN 178   0.230  -9.712   6.275
   41   2HB   ASN 178          2HB       ASN 178   1.703  -9.745   5.343
   42   1HD2  ASN 178          2HD2      ASN 178   3.066  -7.772   5.417
   43   2HD2  ASN 178          1HD2      ASN 178   2.979  -6.713   6.913
   44    H    ASN 179           H        ASN 179  -2.149  -9.039   3.525
   45    HA   ASN 179           HA       ASN 179  -4.340  -8.416   3.834
   46   1HB   ASN 179          1HB       ASN 179  -5.375  -7.138   5.550
   47   2HB   ASN 179          2HB       ASN 179  -4.471  -8.512   6.144
   48   1HD2  ASN 179          1HD2      ASN 179  -2.737  -8.091   7.587
   49   2HD2  ASN 179          2HD2      ASN 179  -2.381  -6.407   8.225
   50    HA   PRO 180           HA       PRO 180  -3.367  -4.787   1.172
   51   1HB   PRO 180          2HB       PRO 180  -5.594  -4.633  -0.511
   52   2HB   PRO 180          1HB       PRO 180  -4.225  -5.743  -0.677
   53   1HG   PRO 180          1HG       PRO 180  -6.918  -6.298   0.658
   54   2HG   PRO 180          2HG       PRO 180  -6.076  -7.296  -0.564
   55   1HD   PRO 180          2HD       PRO 180  -5.874  -7.889   2.116
   56   2HD   PRO 180          1HD       PRO 180  -4.445  -8.052   1.061
   57    H    THR 181           H        THR 181  -3.356  -2.919   2.143
   58    HA   THR 181           HA       THR 181  -5.859  -1.297   2.623
   59    HB   THR 181           HB       THR 181  -3.844  -1.802   4.880
   60    HG1  THR 181           1HG      THR 181  -5.888   0.142   4.653
   61   1HG2  THR 181          1HG2      THR 181  -5.815  -3.381   4.948
   62   2HG2  THR 181          2HG2      THR 181  -5.844  -2.236   6.316
   63   3HG2  THR 181          3HG2      THR 181  -6.929  -1.989   4.922
   64    H    CYS 182           H        CYS 182  -2.283  -0.801   3.201
   65    HA   CYS 182           HA       CYS 182  -2.402   1.787   1.773
   66   1HB   CYS 182          1HB       CYS 182   0.055   1.880   2.143
   67   2HB   CYS 182          2HB       CYS 182  -0.882   1.537   3.597
   68    H    TRP 183           H        TRP 183  -2.200  -1.254   0.435
   69    HA   TRP 183           HA       TRP 183  -0.422  -0.628  -1.863
   70   1HB   TRP 183          2HB       TRP 183  -0.922  -3.036  -0.823
   71   2HB   TRP 183          1HB       TRP 183  -2.345  -3.002  -1.845
   72    HD1  TRP 183           HD       TRP 183   1.509  -3.024  -1.934
   73    HE1  TRP 183           1HE      TRP 183   2.488  -3.880  -4.189
   74    HE3  TRP 183           3HE      TRP 183  -2.937  -3.244  -4.407
   75    HZ2  TRP 183           2HZ      TRP 183   1.308  -4.555  -6.690
   76    HZ3  TRP 183           3HZ      TRP 183  -2.940  -4.007  -6.758
   77    HH2  TRP 183           HH       TRP 183  -0.857  -4.650  -7.876
   78    H    ALA 184           H        ALA 184  -3.967  -0.795  -1.637
   79    HA   ALA 184           HA       ALA 184  -4.448  -0.268  -4.483
   80   1HB   ALA 184          1HB       ALA 184  -6.122  -1.408  -3.031
   81   2HB   ALA 184          2HB       ALA 184  -6.363   0.102  -2.113
   82   3HB   ALA 184          3HB       ALA 184  -6.839   0.008  -3.830
   83    H    ILE 185           H        ILE 185  -3.900   2.081  -1.973
   84    HA   ILE 185           HA       ILE 185  -4.316   4.280  -4.004
   85    HB   ILE 185           HB       ILE 185  -6.426   4.158  -2.796
   86   1HG1  ILE 185          1HG1      ILE 185  -6.642   6.742  -2.204
   87   2HG1  ILE 185          2HG1      ILE 185  -4.928   6.826  -2.561
   88   1HG2  ILE 185          1HG2      ILE 185  -6.840   4.950  -0.504
   89   2HG2  ILE 185          2HG2      ILE 185  -5.093   5.228  -0.246
   90   3HG2  ILE 185          3HG2      ILE 185  -5.711   3.576  -0.481
   91   1HD1  ILE 185          1HD1      ILE 185  -5.475   6.158  -4.963
   92   2HD1  ILE 185          2HD1      ILE 185  -7.198   6.029  -4.514
   93   3HD1  ILE 185          3HD1      ILE 185  -6.372   7.610  -4.441
   94    H    CYS 186           H        CYS 186  -2.163   4.083  -4.171
   95    HA   CYS 186           HA       CYS 186  -0.464   5.616  -2.125
   96   1HB   CYS 186          1HB       CYS 186   0.031   3.226  -1.785
   97   2HB   CYS 186          2HB       CYS 186   0.358   2.996  -3.514
   98    H    LYS 187           H        LYS 187   0.129   7.357  -3.192
   99    HA   LYS 187           HA       LYS 187   0.496   7.420  -6.229
  100   1HB   LYS 187          2HB       LYS 187  -1.091   9.072  -4.962
  101   2HB   LYS 187          1HB       LYS 187   0.355   9.773  -4.243
  102   1HG   LYS 187          2HG       LYS 187   1.164  10.354  -6.601
  103   2HG   LYS 187          1HG       LYS 187  -0.314   9.648  -7.259
  104   1HD   LYS 187          2HD       LYS 187  -1.695  11.365  -5.983
  105   2HD   LYS 187          1HD       LYS 187  -0.213  12.067  -5.327
  106   1HE   LYS 187          2HE       LYS 187   0.544  12.665  -7.672
  107   2HE   LYS 187          1HE       LYS 187  -0.944  11.960  -8.330
  108   1HZ   LYS 187          1HZ       LYS 187  -1.160  14.348  -8.011
  109   2HZ   LYS 187          2HZ       LYS 187  -2.218  13.570  -7.009
  110   3HZ   LYS 187          3HZ       LYS 187  -0.832  14.227  -6.397
  Start of MODEL    9
    1   1H    PRO 172          1H        PRO 172   4.412   5.250  -5.383
    2    HA   PRO 172           HA       PRO 172   4.033   3.119  -4.932
    3   1HB   PRO 172          1HB       PRO 172   6.978   2.420  -5.536
    4   2HB   PRO 172          2HB       PRO 172   5.521   1.427  -5.797
    5   1HG   PRO 172          1HG       PRO 172   6.539   2.845  -7.871
    6   2HG   PRO 172          2HG       PRO 172   4.772   2.855  -7.615
    7   1HD   PRO 172          1HD       PRO 172   6.791   5.020  -6.898
    8   2HD   PRO 172          2HD       PRO 172   5.124   5.207  -7.512
    9    H    CYS 173           H        CYS 173   3.887   2.451  -2.881
   10    HA   CYS 173           HA       CYS 173   5.859   3.400  -0.753
   11   1HB   CYS 173          1HB       CYS 173   2.973   2.379  -0.522
   12   2HB   CYS 173          2HB       CYS 173   4.015   2.800   0.848
   13    H    SER 174           H        SER 174   7.313   1.928  -0.298
   14    HA   SER 174           HA       SER 174   7.149  -0.941  -0.924
   15   1HB   SER 174          1HB       SER 174   9.417  -1.130  -0.052
   16   2HB   SER 174          2HB       SER 174   9.263   0.271  -1.124
   17    HG   SER 174           HG       SER 174   9.113   0.291   1.717
   18    H    ILE 175           H        ILE 175   6.998   0.645   2.274
   19    HA   ILE 175           HA       ILE 175   6.746  -1.952   3.716
   20    HB   ILE 175           HB       ILE 175   6.355  -0.698   5.755
   21   1HG1  ILE 175          1HG1      ILE 175   7.114   2.023   4.535
   22   2HG1  ILE 175          2HG1      ILE 175   5.450   1.524   4.594
   23   1HG2  ILE 175          1HG2      ILE 175   8.679   0.032   6.190
   24   2HG2  ILE 175          2HG2      ILE 175   8.997   0.104   4.436
   25   3HG2  ILE 175          3HG2      ILE 175   8.627  -1.458   5.216
   26   1HD1  ILE 175          1HD1      ILE 175   5.894   3.010   6.472
   27   2HD1  ILE 175          2HD1      ILE 175   5.454   1.391   7.079
   28   3HD1  ILE 175          3HD1      ILE 175   7.158   1.919   7.102
   29    H    CYS 176           H        CYS 176   5.071  -2.678   2.363
   30    HA   CYS 176           HA       CYS 176   2.296  -2.190   3.544
   31   1HB   CYS 176          1HB       CYS 176   2.452  -0.878   1.397
   32   2HB   CYS 176          2HB       CYS 176   2.757  -2.399   0.525
   33    H    SER 177           H        SER 177   2.241  -4.036   4.525
   34    HA   SER 177           HA       SER 177   2.306  -6.696   3.123
   35   1HB   SER 177          1HB       SER 177   3.810  -7.800   4.788
   36   2HB   SER 177          2HB       SER 177   4.656  -6.578   3.828
   37    HG   SER 177           HG       SER 177   5.114  -6.429   6.044
   38    H    ASN 178           H        ASN 178   0.630  -7.756   3.867
   39    HA   ASN 178           HA       ASN 178  -0.827  -8.917   5.200
   40   1HB   ASN 178          2HB       ASN 178   0.747  -8.856   7.176
   41   2HB   ASN 178          1HB       ASN 178  -0.086  -7.435   7.769
   42   1HD2  ASN 178          1HD2      ASN 178  -2.288  -7.748   8.551
   43   2HD2  ASN 178          2HD2      ASN 178  -2.892  -9.429   8.974
   44    H    ASN 179           H        ASN 179  -2.850  -8.504   4.950
   45    HA   ASN 179           HA       ASN 179  -4.996  -7.621   4.975
   46   1HB   ASN 179          1HB       ASN 179  -4.119  -5.214   6.584
   47   2HB   ASN 179          2HB       ASN 179  -5.758  -5.530   6.032
   48   1HD2  ASN 179          2HD2      ASN 179  -5.666  -5.140   8.509
   49   2HD2  ASN 179          1HD2      ASN 179  -5.761  -6.678   9.505
   50    HA   PRO 180           HA       PRO 180  -3.817  -5.280   1.149
   51   1HB   PRO 180          2HB       PRO 180  -6.438  -6.287   0.011
   52   2HB   PRO 180          1HB       PRO 180  -4.818  -6.206  -0.725
   53   1HG   PRO 180          2HG       PRO 180  -5.724  -8.581   0.232
   54   2HG   PRO 180          1HG       PRO 180  -4.039  -8.095   0.573
   55   1HD   PRO 180          2HD       PRO 180  -6.469  -7.804   2.435
   56   2HD   PRO 180          1HD       PRO 180  -4.857  -8.483   2.802
   57    H    THR 181           H        THR 181  -3.982  -3.333   2.066
   58    HA   THR 181           HA       THR 181  -6.314  -1.569   1.390
   59    HB   THR 181           HB       THR 181  -5.437  -1.775   4.327
   60    HG1  THR 181           1HG      THR 181  -5.635   0.356   3.593
   61   1HG2  THR 181          1HG2      THR 181  -7.868  -2.010   4.855
   62   2HG2  THR 181          2HG2      THR 181  -8.276  -1.962   3.118
   63   3HG2  THR 181          3HG2      THR 181  -7.347  -3.335   3.778
   64    H    CYS 182           H        CYS 182  -3.098  -1.436   3.087
   65    HA   CYS 182           HA       CYS 182  -2.490   1.250   2.259
   66   1HB   CYS 182          1HB       CYS 182  -0.096   0.684   2.886
   67   2HB   CYS 182          2HB       CYS 182  -1.314   0.250   4.080
   68    H    TRP 183           H        TRP 183  -2.274  -1.455   0.197
   69    HA   TRP 183           HA       TRP 183  -0.121  -0.347  -1.519
   70   1HB   TRP 183          1HB       TRP 183  -0.807  -2.953  -1.171
   71   2HB   TRP 183          2HB       TRP 183  -1.863  -2.634  -2.531
   72    HD1  TRP 183           HD       TRP 183   1.797  -2.861  -1.452
   73    HE1  TRP 183           1HE      TRP 183   3.504  -2.944  -3.427
   74    HE3  TRP 183           3HE      TRP 183  -1.594  -1.960  -5.137
   75    HZ2  TRP 183           2HZ      TRP 183   3.216  -2.721  -6.250
   76    HZ3  TRP 183           3HZ      TRP 183  -0.803  -1.889  -7.477
   77    HH2  TRP 183           HH       TRP 183   1.558  -2.262  -8.021
   78    H    ALA 184           H        ALA 184  -3.611  -0.636  -2.132
   79    HA   ALA 184           HA       ALA 184  -3.471   0.715  -4.748
   80   1HB   ALA 184          1HB       ALA 184  -5.920   0.175  -2.984
   81   2HB   ALA 184          2HB       ALA 184  -5.253  -0.929  -4.218
   82   3HB   ALA 184          3HB       ALA 184  -5.957   0.629  -4.707
   83    H    ILE 185           H        ILE 185  -3.818   2.183  -1.610
   84    HA   ILE 185           HA       ILE 185  -3.896   4.882  -2.875
   85    HB   ILE 185           HB       ILE 185  -6.036   4.417  -0.723
   86   1HG1  ILE 185          1HG1      ILE 185  -7.775   5.144  -2.702
   87   2HG1  ILE 185          2HG1      ILE 185  -6.495   4.602  -3.771
   88   1HG2  ILE 185          1HG2      ILE 185  -6.773   6.758  -1.161
   89   2HG2  ILE 185          2HG2      ILE 185  -5.057   6.705  -0.735
   90   3HG2  ILE 185          3HG2      ILE 185  -5.530   6.928  -2.434
   91   1HD1  ILE 185          1HD1      ILE 185  -6.749   2.272  -2.704
   92   2HD1  ILE 185          2HD1      ILE 185  -8.026   2.936  -1.660
   93   3HD1  ILE 185          3HD1      ILE 185  -8.258   2.885  -3.426
   94    H    CYS 186           H        CYS 186  -1.986   5.221  -2.038
   95    HA   CYS 186           HA       CYS 186  -1.152   4.460   0.787
   96   1HB   CYS 186          1HB       CYS 186   0.344   3.845  -1.089
   97   2HB   CYS 186          2HB       CYS 186   0.487   5.549  -1.569
   98    H    LYS 187           H        LYS 187  -1.691   5.938   2.199
   99    HA   LYS 187           HA       LYS 187  -1.076   8.899   1.813
  100   1HB   LYS 187          1HB       LYS 187  -3.080   9.719   2.790
  101   2HB   LYS 187          2HB       LYS 187  -3.406   8.845   1.308
  102   1HG   LYS 187          2HG       LYS 187  -4.331   6.904   2.642
  103   2HG   LYS 187          1HG       LYS 187  -4.001   7.780   4.138
  104   1HD   LYS 187          2HD       LYS 187  -5.591   9.626   3.409
  105   2HD   LYS 187          1HD       LYS 187  -5.922   8.748   1.913
  106   1HE   LYS 187          1HE       LYS 187  -6.883   6.820   3.253
  107   2HE   LYS 187          2HE       LYS 187  -6.550   7.703   4.756
  108   1HZ   LYS 187          1HZ       LYS 187  -8.825   8.050   4.009
  109   2HZ   LYS 187          2HZ       LYS 187  -8.013   9.489   3.958
  110   3HZ   LYS 187          3HZ       LYS 187  -8.325   8.666   2.560
  Start of MODEL   10
    1   1H    PRO 172          1H        PRO 172   2.135   6.553  -3.140
    2    HA   PRO 172           HA       PRO 172   1.112   3.870  -2.985
    3   1HB   PRO 172          2HB       PRO 172   2.918   4.527  -5.397
    4   2HB   PRO 172          1HB       PRO 172   1.852   3.121  -5.146
    5   1HG   PRO 172          1HG       PRO 172   0.947   5.208  -6.620
    6   2HG   PRO 172          2HG       PRO 172  -0.147   4.483  -5.411
    7   1HD   PRO 172          2HD       PRO 172   1.484   7.050  -5.178
    8   2HD   PRO 172          1HD       PRO 172  -0.181   6.737  -4.612
    9    H    CYS 173           H        CYS 173   2.529   2.815  -1.733
   10    HA   CYS 173           HA       CYS 173   5.447   3.682  -1.479
   11   1HB   CYS 173          2HB       CYS 173   5.372   3.476   0.966
   12   2HB   CYS 173          1HB       CYS 173   4.277   4.746   0.403
   13    H    SER 174           H        SER 174   6.741   1.990  -1.535
   14    HA   SER 174           HA       SER 174   5.871  -0.724  -2.022
   15   1HB   SER 174          1HB       SER 174   8.010   0.277  -2.889
   16   2HB   SER 174          2HB       SER 174   8.689   0.198  -1.254
   17    HG   SER 174           HG       SER 174   7.690  -1.978  -2.789
   18    H    ILE 175           H        ILE 175   6.764   0.586   1.111
   19    HA   ILE 175           HA       ILE 175   7.096  -2.069   2.419
   20    HB   ILE 175           HB       ILE 175   7.185  -0.908   4.558
   21   1HG1  ILE 175          1HG1      ILE 175   7.460   1.892   3.311
   22   2HG1  ILE 175          2HG1      ILE 175   5.894   1.297   3.770
   23   1HG2  ILE 175          1HG2      ILE 175   9.267  -1.508   3.401
   24   2HG2  ILE 175          2HG2      ILE 175   9.501  -0.047   4.392
   25   3HG2  ILE 175          3HG2      ILE 175   9.331   0.096   2.621
   26   1HD1  ILE 175          1HD1      ILE 175   6.739   2.741   5.541
   27   2HD1  ILE 175          2HD1      ILE 175   6.549   1.078   6.161
   28   3HD1  ILE 175          3HD1      ILE 175   8.174   1.704   5.771
   29    H    CYS 176           H        CYS 176   5.226  -2.950   1.659
   30    HA   CYS 176           HA       CYS 176   2.720  -2.464   3.373
   31   1HB   CYS 176          2HB       CYS 176   2.810  -2.879   0.346
   32   2HB   CYS 176          1HB       CYS 176   1.393  -3.301   1.313
   33    H    SER 177           H        SER 177   3.169  -4.014   4.705
   34    HA   SER 177           HA       SER 177   4.076  -6.775   4.071
   35   1HB   SER 177          2HB       SER 177   2.909  -5.644   6.672
   36   2HB   SER 177          1HB       SER 177   3.682  -7.231   6.521
   37    HG   SER 177           HG       SER 177   5.113  -5.635   7.218
   38    H    ASN 178           H        ASN 178   0.898  -5.463   4.101
   39    HA   ASN 178           HA       ASN 178  -0.346  -8.188   3.732
   40   1HB   ASN 178          2HB       ASN 178  -1.417  -6.170   5.802
   41   2HB   ASN 178          1HB       ASN 178  -2.382  -7.457   5.107
   42   1HD2  ASN 178          1HD2      ASN 178   0.229  -6.811   7.341
   43   2HD2  ASN 178          2HD2      ASN 178   0.259  -8.504   8.047
   44    H    ASN 179           H        ASN 179  -0.812  -7.778   1.731
   45    HA   ASN 179           HA       ASN 179  -1.072  -5.487   0.291
   46   1HB   ASN 179          2HB       ASN 179  -2.081  -6.641  -1.561
   47   2HB   ASN 179          1HB       ASN 179  -0.836  -7.600  -0.800
   48   1HD2  ASN 179          1HD2      ASN 179  -1.540  -9.510   0.426
   49   2HD2  ASN 179          2HD2      ASN 179  -3.165 -10.271   0.043
   50    HA   PRO 180           HA       PRO 180  -5.755  -4.523   0.292
   51   1HB   PRO 180          1HB       PRO 180  -7.400  -5.044   2.488
   52   2HB   PRO 180          2HB       PRO 180  -7.141  -6.119   1.106
   53   1HG   PRO 180          2HG       PRO 180  -5.772  -6.240   3.827
   54   2HG   PRO 180          1HG       PRO 180  -6.517  -7.583   2.910
   55   1HD   PRO 180          2HD       PRO 180  -3.773  -7.072   2.827
   56   2HD   PRO 180          1HD       PRO 180  -4.623  -7.686   1.389
   57    H    THR 181           H        THR 181  -6.143  -2.432   0.603
   58    HA   THR 181           HA       THR 181  -6.360  -0.305   1.409
   59    HB   THR 181           HB       THR 181  -5.777  -1.163   4.280
   60    HG1  THR 181           1HG      THR 181  -6.533   0.911   4.746
   61   1HG2  THR 181          1HG2      THR 181  -8.462  -0.294   3.029
   62   2HG2  THR 181          2HG2      THR 181  -8.172  -0.650   4.753
   63   3HG2  THR 181          3HG2      THR 181  -8.052  -1.953   3.540
   64    H    CYS 182           H        CYS 182  -3.421  -1.847   2.579
   65    HA   CYS 182           HA       CYS 182  -1.831   0.690   2.504
   66   1HB   CYS 182          1HB       CYS 182  -1.282  -1.130   4.122
   67   2HB   CYS 182          2HB       CYS 182  -0.917  -2.227   2.785
   68    H    TRP 183           H        TRP 183  -2.377  -1.858   0.185
   69    HA   TRP 183           HA       TRP 183  -0.027  -1.074  -1.499
   70   1HB   TRP 183          2HB       TRP 183  -1.006  -3.583  -1.176
   71   2HB   TRP 183          1HB       TRP 183  -2.042  -3.118  -2.509
   72    HD1  TRP 183           HD       TRP 183   1.614  -3.724  -1.506
   73    HE1  TRP 183           1HE      TRP 183   3.212  -4.116  -3.538
   74    HE3  TRP 183           3HE      TRP 183  -1.797  -2.589  -5.114
   75    HZ2  TRP 183           2HZ      TRP 183   2.849  -3.950  -6.353
   76    HZ3  TRP 183           3HZ      TRP 183  -1.097  -2.720  -7.481
   77    HH2  TRP 183           HH       TRP 183   1.182  -3.388  -8.087
   78    H    ALA 184           H        ALA 184  -3.532  -0.989  -2.117
   79    HA   ALA 184           HA       ALA 184  -3.229   0.416  -4.684
   80   1HB   ALA 184          1HB       ALA 184  -5.754   0.023  -2.998
   81   2HB   ALA 184          2HB       ALA 184  -5.708   0.542  -4.703
   82   3HB   ALA 184          3HB       ALA 184  -5.141  -1.086  -4.256
   83    H    ILE 185           H        ILE 185  -3.853   1.812  -1.498
   84    HA   ILE 185           HA       ILE 185  -3.417   4.535  -2.656
   85    HB   ILE 185           HB       ILE 185  -5.800   4.275  -2.885
   86   1HG1  ILE 185          1HG1      ILE 185  -5.411   6.600  -0.897
   87   2HG1  ILE 185          2HG1      ILE 185  -4.562   6.590  -2.413
   88   1HG2  ILE 185          1HG2      ILE 185  -6.193   4.287   0.173
   89   2HG2  ILE 185          2HG2      ILE 185  -6.491   2.911  -0.922
   90   3HG2  ILE 185          3HG2      ILE 185  -7.489   4.384  -1.051
   91   1HD1  ILE 185          1HD1      ILE 185  -6.507   8.012  -2.633
   92   2HD1  ILE 185          2HD1      ILE 185  -6.660   6.617  -3.736
   93   3HD1  ILE 185          3HD1      ILE 185  -7.608   6.669  -2.226
   94    H    CYS 186           H        CYS 186  -1.557   4.483  -1.651
   95    HA   CYS 186           HA       CYS 186  -1.294   4.145   1.369
   96   1HB   CYS 186          1HB       CYS 186   0.278   2.902  -0.096
   97   2HB   CYS 186          2HB       CYS 186   0.871   4.428  -0.784
   98    H    LYS 187           H        LYS 187  -1.750   5.954   2.368
   99    HA   LYS 187           HA       LYS 187  -0.559   8.666   1.533
  100   1HB   LYS 187          1HB       LYS 187  -3.139   8.376   1.031
  101   2HB   LYS 187          2HB       LYS 187  -3.341   8.285   2.757
  102   1HG   LYS 187          2HG       LYS 187  -3.909  10.474   2.308
  103   2HG   LYS 187          1HG       LYS 187  -2.277  10.644   2.934
  104   1HD   LYS 187          1HD       LYS 187  -1.426  10.859   0.526
  105   2HD   LYS 187          2HD       LYS 187  -3.083  10.706  -0.057
  106   1HE   LYS 187          2HE       LYS 187  -3.719  12.827   1.184
  107   2HE   LYS 187          1HE       LYS 187  -2.050  12.981   1.766
  108   1HZ   LYS 187          1HZ       LYS 187  -2.870  12.959  -1.102
  109   2HZ   LYS 187          2HZ       LYS 187  -2.412  14.290  -0.237
  110   3HZ   LYS 187          3HZ       LYS 187  -1.315  13.098  -0.561
  Start of MODEL   11
    1   1H    PRO 172          1H        PRO 172   4.185   3.363  -6.944
    2    HA   PRO 172           HA       PRO 172   4.852   1.493  -5.973
    3   1HB   PRO 172          2HB       PRO 172   7.675   2.666  -5.541
    4   2HB   PRO 172          1HB       PRO 172   7.207   0.976  -5.858
    5   1HG   PRO 172          1HG       PRO 172   8.035   2.523  -7.924
    6   2HG   PRO 172          2HG       PRO 172   6.600   1.487  -8.156
    7   1HD   PRO 172          2HD       PRO 172   6.692   4.485  -7.630
    8   2HD   PRO 172          1HD       PRO 172   5.583   3.572  -8.690
    9    H    CYS 173           H        CYS 173   4.275   1.077  -3.941
   10    HA   CYS 173           HA       CYS 173   4.884   3.029  -1.636
   11   1HB   CYS 173          2HB       CYS 173   2.547   3.256  -2.403
   12   2HB   CYS 173          1HB       CYS 173   2.272   1.514  -2.184
   13    H    SER 174           H        SER 174   6.466   1.933  -0.684
   14    HA   SER 174           HA       SER 174   6.696  -0.999  -0.537
   15   1HB   SER 174          1HB       SER 174   8.673   0.460  -0.782
   16   2HB   SER 174          2HB       SER 174   8.395   1.125   0.838
   17    HG   SER 174           HG       SER 174   9.880  -0.594   0.808
   18    H    ILE 175           H        ILE 175   5.876   1.309   2.036
   19    HA   ILE 175           HA       ILE 175   5.720  -0.864   4.070
   20    HB   ILE 175           HB       ILE 175   6.659   1.318   4.655
   21   1HG1  ILE 175          1HG1      ILE 175   5.576   1.553   7.037
   22   2HG1  ILE 175          2HG1      ILE 175   4.440   0.322   6.520
   23   1HG2  ILE 175          1HG2      ILE 175   3.818   2.473   4.858
   24   2HG2  ILE 175          2HG2      ILE 175   5.012   2.880   3.601
   25   3HG2  ILE 175          3HG2      ILE 175   5.340   3.299   5.296
   26   1HD1  ILE 175          1HD1      ILE 175   6.277  -0.571   7.952
   27   2HD1  ILE 175          2HD1      ILE 175   7.509   0.017   6.804
   28   3HD1  ILE 175          3HD1      ILE 175   6.401  -1.298   6.329
   29    H    CYS 176           H        CYS 176   4.256  -1.939   2.552
   30    HA   CYS 176           HA       CYS 176   1.536  -2.117   3.826
   31   1HB   CYS 176          1HB       CYS 176   1.703  -1.554   0.818
   32   2HB   CYS 176          2HB       CYS 176   0.257  -2.202   1.637
   33    H    SER 177           H        SER 177   1.978  -4.093   4.498
   34    HA   SER 177           HA       SER 177   2.511  -6.387   2.639
   35   1HB   SER 177          1HB       SER 177   4.393  -7.329   3.987
   36   2HB   SER 177          2HB       SER 177   4.830  -5.807   3.196
   37    HG   SER 177           HG       SER 177   5.474  -5.886   5.368
   38    H    ASN 178           H        ASN 178   1.238  -7.928   3.301
   39    HA   ASN 178           HA       ASN 178   0.170  -9.590   4.556
   40   1HB   ASN 178          1HB       ASN 178   0.836  -8.208   7.180
   41   2HB   ASN 178          2HB       ASN 178  -0.149  -9.657   7.044
   42   1HD2  ASN 178          2HD2      ASN 178   0.919 -11.651   6.476
   43   2HD2  ASN 178          1HD2      ASN 178   2.748 -11.794   6.558
   44    H    ASN 179           H        ASN 179  -1.857  -9.407   4.006
   45    HA   ASN 179           HA       ASN 179  -4.115  -8.920   3.941
   46   1HB   ASN 179          1HB       ASN 179  -3.896  -6.938   6.248
   47   2HB   ASN 179          2HB       ASN 179  -5.371  -7.381   5.408
   48   1HD2  ASN 179          1HD2      ASN 179  -2.972  -8.535   7.686
   49   2HD2  ASN 179          2HD2      ASN 179  -3.929 -10.015   8.196
   50    HA   PRO 180           HA       PRO 180  -3.026  -5.336   1.188
   51   1HB   PRO 180          2HB       PRO 180  -4.716  -5.692  -0.972
   52   2HB   PRO 180          1HB       PRO 180  -3.220  -6.597  -0.674
   53   1HG   PRO 180          2HG       PRO 180  -6.077  -7.458  -0.018
   54   2HG   PRO 180          1HG       PRO 180  -4.814  -8.406  -0.857
   55   1HD   PRO 180          2HD       PRO 180  -5.298  -8.712   1.850
   56   2HD   PRO 180          1HD       PRO 180  -3.641  -8.822   1.202
   57    H    THR 181           H        THR 181  -3.601  -3.536   2.197
   58    HA   THR 181           HA       THR 181  -6.366  -2.393   1.870
   59    HB   THR 181           HB       THR 181  -6.759  -1.607   4.052
   60    HG1  THR 181           1HG      THR 181  -7.444  -3.623   3.313
   61   1HG2  THR 181          1HG2      THR 181  -4.517  -1.470   5.167
   62   2HG2  THR 181          2HG2      THR 181  -5.661  -2.465   6.107
   63   3HG2  THR 181          3HG2      THR 181  -4.388  -3.249   5.133
   64    H    CYS 182           H        CYS 182  -3.340  -1.198   3.469
   65    HA   CYS 182           HA       CYS 182  -3.670   1.420   2.160
   66   1HB   CYS 182          2HB       CYS 182  -1.639   2.091   3.249
   67   2HB   CYS 182          1HB       CYS 182  -2.633   1.182   4.385
   68    H    TRP 183           H        TRP 183  -2.428  -1.301   0.746
   69    HA   TRP 183           HA       TRP 183  -0.146  -0.286  -0.711
   70   1HB   TRP 183          1HB       TRP 183  -0.982  -2.814  -0.372
   71   2HB   TRP 183          2HB       TRP 183  -1.881  -2.536  -1.846
   72    HD1  TRP 183           HD       TRP 183   1.519  -3.366  -0.492
   73    HE1  TRP 183           1HE      TRP 183   3.402  -3.604  -2.294
   74    HE3  TRP 183           3HE      TRP 183  -1.185  -1.489  -4.378
   75    HZ2  TRP 183           2HZ      TRP 183   3.500  -3.076  -5.080
   76    HZ3  TRP 183           3HZ      TRP 183  -0.126  -1.382  -6.608
   77    HH2  TRP 183           HH       TRP 183   2.172  -2.160  -6.951
   78    H    ALA 184           H        ALA 184  -3.496  -0.260  -1.860
   79    HA   ALA 184           HA       ALA 184  -2.825   0.727  -4.557
   80   1HB   ALA 184          1HB       ALA 184  -5.279   0.970  -4.873
   81   2HB   ALA 184          2HB       ALA 184  -4.877  -0.596  -4.130
   82   3HB   ALA 184          3HB       ALA 184  -5.535   0.723  -3.126
   83    H    ILE 185           H        ILE 185  -3.578   2.605  -1.670
   84    HA   ILE 185           HA       ILE 185  -2.923   5.100  -3.149
   85    HB   ILE 185           HB       ILE 185  -5.280   4.920  -3.599
   86   1HG1  ILE 185          2HG1      ILE 185  -4.969   7.493  -1.928
   87   2HG1  ILE 185          1HG1      ILE 185  -3.960   7.223  -3.318
   88   1HG2  ILE 185          1HG2      ILE 185  -7.143   5.369  -2.005
   89   2HG2  ILE 185          2HG2      ILE 185  -6.255   3.889  -1.559
   90   3HG2  ILE 185          3HG2      ILE 185  -5.994   5.395  -0.640
   91   1HD1  ILE 185          1HD1      ILE 185  -5.782   8.677  -3.967
   92   2HD1  ILE 185          2HD1      ILE 185  -5.897   7.143  -4.868
   93   3HD1  ILE 185          3HD1      ILE 185  -6.999   7.459  -3.502
   94    H    CYS 186           H        CYS 186  -1.207   5.245  -1.945
   95    HA   CYS 186           HA       CYS 186  -1.218   5.188   1.087
   96   1HB   CYS 186          1HB       CYS 186   1.089   5.478  -0.918
   97   2HB   CYS 186          2HB       CYS 186   1.278   5.504   0.845
   98    H    LYS 187           H        LYS 187  -1.758   6.993   2.012
   99    HA   LYS 187           HA       LYS 187  -0.630   9.727   1.212
  100   1HB   LYS 187          2HB       LYS 187  -3.618   9.155   1.739
  101   2HB   LYS 187          1HB       LYS 187  -2.930  10.772   1.858
  102   1HG   LYS 187          1HG       LYS 187  -2.241  10.721  -0.543
  103   2HG   LYS 187          2HG       LYS 187  -2.910   9.097  -0.716
  104   1HD   LYS 187          2HD       LYS 187  -5.221   9.978  -0.142
  105   2HD   LYS 187          1HD       LYS 187  -4.560  11.605   0.037
  106   1HE   LYS 187          1HE       LYS 187  -3.869  11.602  -2.401
  107   2HE   LYS 187          2HE       LYS 187  -4.532   9.966  -2.584
  108   1HZ   LYS 187          1HZ       LYS 187  -6.716  10.845  -1.933
  109   2HZ   LYS 187          2HZ       LYS 187  -6.134  11.650  -3.253
  110   3HZ   LYS 187          3HZ       LYS 187  -6.099  12.368  -1.764