*HEADER    IMMUNOGLOBULIN FOLD                     20-DEC-96   1WBR      
*TITLE     SOLUTION STRUCTURE OF THE HUMAN CD4 (403-419) RECEPTOR        
*TITLE    2 PEPTIDE, NMR, 32 STRUCTURES                                  
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: CD4 RECEPTOR;                                      
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: 403 - 419;                                         
*COMPND   5 SYNONYM: CD4, 403- 419;                                      
*COMPND   6 ENGINEERED: YES;                                             
*COMPND   7 MUTATION: N-TERMINUS IS ACETYLATED, C-TERMINUS IS AMIDATED;  
*COMPND   8 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                        
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                      
*SOURCE   5 CELL: T-HELPER-CELL                                          
*KEYWDS    IMMUNOGLOBULIN FOLD, CD4(403-419) RECEPTOR PEPTIDE, HIV,      
*KEYWDS   2 VPU, NMR                                                     
*EXPDTA    NMR, 32 STRUCTURES                                            
*AUTHOR    D.WILLBOLD,P.ROESCH                                           
*REVDAT   1   12-OCT-04 1WBR    0   

assign (resid 411 and name HA)  (resid 411 and name HB2)  1.8 0.0 1.1
assign (resid 411 and name HN)  (resid 411 and name HB2)  1.8 0.0 1.1
assign (resid 411 and name HN)  (resid 411 and name HD*)  1.8 0.0 1.1
assign (resid 411 and name HN)  (resid 411 and name HG*)  1.8 0.0 3.7
assign (resid 411 and name HN)  (resid 410 and name HA)  1.8 0.0 1.1
assign (resid 411 and name HN)  (resid 410 and name HG11)  1.8 0.0 2.2
assign (resid 411 and name HN)  (resid 410 and name HN)  1.8 0.0 3.7
assign (resid 412 and name HA)  (resid 412 and name HB2)  1.8 0.0 1.1
assign (resid 412 and name HA)  (resid 412 and name HG2)  1.8 0.0 1.1
assign (resid 412 and name HA)  (resid 415 and name HB1)  1.8 0.0 3.7
assign (resid 412 and name HA)  (resid 415 and name HB2)  1.8 0.0 3.7
assign (resid 412 and name HB1)  (resid 412 and name HG1)  1.8 0.0 1.1
assign (resid 412 and name HB2)  (resid 412 and name HG1)  1.8 0.0 3.7
assign (resid 412 and name HB2)  (resid 412 and name HG2)  1.8 0.0 3.7
assign (resid 412 and name HD*)  (resid 412 and name HB2)  1.8 0.0 1.1
assign (resid 412 and name HD*)  (resid 412 and name HG1)  1.8 0.0 1.1
assign (resid 412 and name HD*)  (resid 412 and name HG2)  1.8 0.0 1.1
assign (resid 412 and name HD*)  (resid 409 and name HA)  1.8 0.0 1.1
assign (resid 412 and name HD*)  (resid 409 and name HB2)  1.8 0.0 3.7
assign (resid 412 and name HD*)  (resid 409 and name HG1)  1.8 0.0 3.7
assign (resid 412 and name HN)  (resid 411 and name HA)  1.8 0.0 1.1
assign (resid 412 and name HN)  (resid 412 and name HB1)  1.8 0.0 1.1
assign (resid 412 and name HN)  (resid 412 and name HB2)  1.8 0.0 1.1
assign (resid 412 and name HN)  (resid 412 and name HG1)  1.8 0.0 1.1
assign (resid 413 and name HA)  (resid 413 and name HD1*)  1.8 0.0 3.7
assign (resid 413 and name HA)  (resid 413 and name HD2*)  1.8 0.0 1.1
assign (resid 413 and name HD2*)  (resid 411 and name HA)  1.8 0.0 3.7
assign (resid 413 and name HN)  (resid 412 and name HA)  1.8 0.0 1.1
assign (resid 413 and name HN)  (resid 413 and name HB*)  1.8 0.0 2.2
assign (resid 413 and name HN)  (resid 413 and name HD1*)  1.8 0.0 3.7
assign (resid 413 and name HN)  (resid 413 and name HD2*)  1.8 0.0 1.1
assign (resid 413 and name HN)  (resid 413 and name HG)  1.8 0.0 1.1
assign (resid 414 and name HA)  (resid 414 and name HD1*)  1.8 0.0 2.2
assign (resid 414 and name HD2*)  (resid 411 and name HA)  1.8 0.0 3.7
assign (resid 414 and name HN)  (resid 413 and name HA)  1.8 0.0 1.1
assign (resid 414 and name HN)  (resid 414 and name HB1)  1.8 0.0 1.1
assign (resid 414 and name HN)  (resid 414 and name HB2)  1.8 0.0 1.1
assign (resid 414 and name HN)  (resid 414 and name HD1*)  1.8 0.0 3.7
assign (resid 414 and name HN)  (resid 414 and name HD2*)  1.8 0.0 2.2
assign (resid 415 and name HA)  (resid 415 and name HB2)  1.8 0.0 1.1
assign (resid 415 and name HB2)  (resid 414 and name HA)  1.8 0.0 3.7
assign (resid 415 and name HN)  (resid 412 and name HB1)  1.8 0.0 3.7
assign (resid 415 and name HN)  (resid 412 and name HG1)  1.8 0.0 3.7
assign (resid 415 and name HN)  (resid 415 and name HB1)  1.8 0.0 3.7
assign (resid 415 and name HN)  (resid 415 and name HB2)  1.8 0.0 1.1
assign (resid 415 and name HN)  (resid 416 and name HN)  1.8 0.0 3.7
assign (resid 416 and name HA)  (resid 416 and name HB1)  1.8 0.0 2.2
assign (resid 416 and name HG1)  (resid 416 and name HG2)  1.8 0.0 1.1
assign (resid 416 and name HN)  (resid 415 and name HA)  1.8 0.0 1.1
assign (resid 416 and name HN)  (resid 416 and name HA)  1.8 0.0 1.1
assign (resid 416 and name HN)  (resid 416 and name HB1)  1.8 0.0 1.1
assign (resid 416 and name HN)  (resid 416 and name HB2)  1.8 0.0 3.7
assign (resid 416 and name HN)  (resid 416 and name HG2)  1.8 0.0 3.7
assign (resid 417 and name HA)  (resid 417 and name HB1)  1.8 0.0 1.1
assign (resid 417 and name HE*)  (resid 417 and name HB1)  1.8 0.0 1.1
assign (resid 417 and name HN)  (resid 415 and name HB2)  1.8 0.0 3.7
assign (resid 417 and name HN)  (resid 416 and name HA)  1.8 0.0 3.7
assign (resid 417 and name HN)  (resid 417 and name HA)  1.8 0.0 1.1
assign (resid 417 and name HN)  (resid 417 and name HB1)  1.8 0.0 1.1
assign (resid 417 and name HN)  (resid 417 and name HB2)  1.8 0.0 1.1
assign (resid 417 and name HN)  (resid 417 and name HD*)  1.8 0.0 3.7
assign (resid 417 and name HN)  (resid 418 and name HB2)  1.8 0.0 2.2
assign (resid 418 and name HA)  (resid 418 and name HB1)  1.8 0.0 2.2
assign (resid 418 and name HE*)  (resid 418 and name HB1)  1.8 0.0 1.1
assign (resid 418 and name HG2)  (resid 419 and name HG2*)  1.8 0.0 2.2
assign (resid 418 and name HN)  (resid 417 and name HA)  1.8 0.0 1.1
assign (resid 418 and name HN)  (resid 418 and name HA)  1.8 0.0 3.7
assign (resid 418 and name HN)  (resid 418 and name HB1)  1.8 0.0 2.2
assign (resid 419 and name HG2*)  (resid 418 and name HA)  1.8 0.0 3.7
assign (resid 419 and name HG2*)  (resid 418 and name HA)  1.8 0.0 2.2
assign (resid 419 and name HN)  (resid 418 and name HA)  1.8 0.0 1.1
assign (resid 419 and name HN)  (resid 418 and name HE*)  1.8 0.0 3.7
assign (resid 419 and name HN)  (resid 418 and name HN)  1.8 0.0 3.7
assign (resid 419 and name HN)  (resid 419 and name HX1)  1.8 0.0 3.7
assign (resid 403 and name HN)  (resid 402 and name HA*)  1.8 0.0 3.7
assign (resid 403 and name HN)  (resid 403 and name HA)  1.8 0.0 1.1
assign (resid 403 and name HN)  (resid 403 and name HB*)  1.8 0.0 1.1
assign (resid 403 and name HN)  (resid 403 and name HG*)  1.8 0.0 3.7
assign (resid 403 and name HN)  (resid 404 and name HB1)  1.8 0.0 2.2
assign (resid 403 and name HN)  (resid 404 and name HB2)  1.8 0.0 3.7
assign (resid 404 and name HB)  (resid 404 and name HA)  1.8 0.0 1.1
assign (resid 404 and name HN)  (resid 403 and name HA)  1.8 0.0 1.1
assign (resid 404 and name HN)  (resid 404 and name HA)  1.8 0.0 1.1
assign (resid 404 and name HN)  (resid 404 and name HB*)  1.8 0.0 1.1
assign (resid 405 and name HA)  (resid 405 and name HB1)  1.8 0.0 1.1
assign (resid 405 and name HA)  (resid 405 and name HB2)  1.8 0.0 1.1
assign (resid 405 and name HN)  (resid 405 and name HA)  1.8 0.0 1.1
assign (resid 406 and name HA)  (resid 406 and name HB2)  1.8 0.0 1.1
assign (resid 406 and name HA)  (resid 406 and name HG1)  1.8 0.0 1.1
assign (resid 406 and name HA)  (resid 409 and name HB1)  1.8 0.0 1.1
assign (resid 406 and name HA)  (resid 409 and name HB2)  1.8 0.0 1.1
assign (resid 406 and name HD*)  (resid 406 and name HB1)  1.8 0.0 2.2
assign (resid 406 and name HD*)  (resid 406 and name HB2)  1.8 0.0 3.7
assign (resid 406 and name HD*)  (resid 406 and name HG2)  1.8 0.0 1.1
assign (resid 406 and name HG1)  (resid 404 and name HB*)  1.8 0.0 3.7
assign (resid 406 and name HG1)  (resid 410 and name HG11)  1.8 0.0 3.7
assign (resid 406 and name HN)  (resid 402 and name HA*)  1.8 0.0 3.7
assign (resid 406 and name HN)  (resid 403 and name HN)  1.8 0.0 3.7
assign (resid 406 and name HN)  (resid 405 and name HA)  1.8 0.0 1.1
assign (resid 406 and name HN)  (resid 405 and name HN)  1.8 0.0 3.7
assign (resid 406 and name HN)  (resid 406 and name HB1)  1.8 0.0 1.1
assign (resid 406 and name HN)  (resid 406 and name HB2)  1.8 0.0 1.1
assign (resid 406 and name HN)  (resid 406 and name HG1)  1.8 0.0 3.7
assign (resid 406 and name HN)  (resid 406 and name HG2)  1.8 0.0 3.7
assign (resid 407 and name HA)  (resid 407 and name HG1)  1.8 0.0 3.7
assign (resid 407 and name HA)  (resid 410 and name HB)  1.8 0.0 2.2
assign (resid 407 and name HG1)  (resid 407 and name HE*)  1.8 0.0 3.7
assign (resid 407 and name HN)  (resid 404 and name HB2)  1.8 0.0 2.2
assign (resid 407 and name HN)  (resid 406 and name HA)  1.8 0.0 1.1
assign (resid 407 and name HN)  (resid 406 and name HN)  1.8 0.0 3.7
assign (resid 407 and name HN)  (resid 407 and name HE*)  1.8 0.0 1.1
assign (resid 407 and name HN)  (resid 407 and name HG1)  1.8 0.0 3.7
assign (resid 407 and name HN)  (resid 408 and name HN)  1.8 0.0 3.7
assign (resid 408 and name HA)  (resid 408 and name HB2)  1.8 0.0 1.1
assign (resid 408 and name HN)  (resid 412 and name HG2)  1.8 0.0 3.7
assign (resid 408 and name HN)  (resid 404 and name HB*)  1.8 0.0 3.7
assign (resid 408 and name HN)  (resid 407 and name HA)  1.8 0.0 1.1
assign (resid 408 and name HN)  (resid 407 and name HB2)  1.8 0.0 2.2
assign (resid 408 and name HN)  (resid 407 and name HE*)  1.8 0.0 2.2
assign (resid 408 and name HN)  (resid 408 and name HB1)  1.8 0.0 1.1
assign (resid 408 and name HN)  (resid 408 and name HB2)  1.8 0.0 1.1
assign (resid 409 and name HA)  (resid 412 and name HB*)  1.8 0.0 2.2
assign (resid 409 and name HN)  (resid 408 and name HA)  1.8 0.0 1.1
assign (resid 409 and name HN)  (resid 408 and name HB1)  1.8 0.0 3.7
assign (resid 409 and name HN)  (resid 408 and name HB2)  1.8 0.0 3.7
assign (resid 409 and name HN)  (resid 409 and name HA)  1.8 0.0 1.1
assign (resid 409 and name HN)  (resid 409 and name HB1)  1.8 0.0 1.1
assign (resid 409 and name HN)  (resid 409 and name HB2)  1.8 0.0 2.2
assign (resid 409 and name HN)  (resid 409 and name HG1)  1.8 0.0 3.7
assign (resid 409 and name HN)  (resid 409 and name HG2)  1.8 0.0 3.7
assign (resid 409 and name HN)  (resid 410 and name HG12)  1.8 0.0 3.7
assign (resid 409 and name HN)  (resid 410 and name HN)  1.8 0.0 1.1
assign (resid 410 and name HA)  (resid 413 and name HG)  1.8 0.0 3.7
assign (resid 410 and name HA)  (resid 410 and name HG11)  1.8 0.0 3.7
assign (resid 410 and name HA)  (resid 410 and name HG2*)  1.8 0.0 1.1
assign (resid 410 and name HB)  (resid 410 and name HG11)  1.8 0.0 1.1
assign (resid 410 and name HB)  (resid 410 and name HG12)  1.8 0.0 2.2
assign (resid 410 and name HB)  (resid 410 and name HG2*)  1.8 0.0 1.1
assign (resid 410 and name HG11)  (resid 407 and name HA)  1.8 0.0 3.7
assign (resid 410 and name HG11)  (resid 410 and name HD*)  1.8 0.0 1.1
assign (resid 410 and name HG12)  (resid 409 and name HA)  1.8 0.0 3.7
assign (resid 410 and name HG12)  (resid 410 and name HD*)  1.8 0.0 1.1
assign (resid 410 and name HG12)  (resid 410 and name HG11)  1.8 0.0 1.1
assign (resid 410 and name HG12)  (resid 410 and name HG2*)  1.8 0.0 1.1
assign (resid 410 and name HN)  (resid 407 and name HA)  1.8 0.0 3.7
assign (resid 410 and name HN)  (resid 407 and name HN)  1.8 0.0 3.7
assign (resid 410 and name HN)  (resid 409 and name HA)  1.8 0.0 1.1
assign (resid 410 and name HN)  (resid 409 and name HB1)  1.8 0.0 3.7
assign (resid 410 and name HN)  (resid 409 and name HB2)  1.8 0.0 3.7
assign (resid 410 and name HN)  (resid 410 and name HB)  1.8 0.0 1.1
assign (resid 410 and name HN)  (resid 410 and name HD*)  1.8 0.0 3.7
assign (resid 410 and name HN)  (resid 410 and name HG11)  1.8 0.0 1.1
assign (resid 410 and name HN)  (resid 410 and name HG12)  1.8 0.0 1.1
assign (resid 410 and name HN)  (resid 410 and name HG2*)  1.8 0.0 2.2


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    ACE 402           HA1      ACE 402   7.843  -1.400  -1.400
    2   2H    ACE 402           HA2      ACE 402   6.371  -1.289  -1.289
    3   3H    ACE 402           HA3      ACE 402   7.936  -1.474  -1.474
    4    H    GLN 403           HN       GLN 403   5.423  -3.211  -3.211
    5    HA   GLN 403           HA       GLN 403   6.294  -5.708  -5.708
    6   1HB   GLN 403           HB2      GLN 403   3.869  -5.203  -5.203
    7   2HB   GLN 403           HB1      GLN 403   4.047  -5.220  -5.220
    8   1HG   GLN 403           HG2      GLN 403   4.995  -7.612  -7.612
    9   2HG   GLN 403           HG1      GLN 403   3.260  -7.397  -7.397
   10   1HE2  GLN 403          HE22      GLN 403   5.436  -8.744  -8.744
   11   2HE2  GLN 403          HE21      GLN 403   6.088  -8.597  -8.597
   12    H    ALA 404           HN       ALA 404   5.815  -4.368  -4.368
   13    HA   ALA 404           HA       ALA 404   7.057  -6.314  -6.314
   14   1HB   ALA 404           HB1      ALA 404   5.484  -4.406  -4.406
   15   2HB   ALA 404           HB3      ALA 404   6.829  -3.311  -3.311
   16   3HB   ALA 404           HB2      ALA 404   6.950  -4.505  -4.505
   17    H    GLU 405           HN       GLU 405   9.190  -6.078  -6.078
   18    HA   GLU 405           HA       GLU 405  11.177  -4.741  -4.741
   19   1HB   GLU 405           HB2      GLU 405  12.861  -5.832  -5.832
   20   2HB   GLU 405           HB1      GLU 405  11.638  -7.013  -7.013
   21   1HG   GLU 405           HG2      GLU 405  11.188  -5.562  -5.562
   22   2HG   GLU 405           HG1      GLU 405  12.524  -6.709  -6.709
   23    H    ARG 406           HN       ARG 406   9.179  -3.056  -3.056
   24    HA   ARG 406           HA       ARG 406  10.710  -1.784  -1.784
   25   1HB   ARG 406           HB2      ARG 406   8.000  -2.503  -2.503
   26   2HB   ARG 406           HB1      ARG 406   8.089  -0.768  -0.768
   27   1HG   ARG 406           HG2      ARG 406   7.802  -1.709  -1.709
   28   2HG   ARG 406           HG1      ARG 406   9.490  -1.232  -1.232
   29   1HD   ARG 406           HD2      ARG 406   9.652  -3.397  -3.397
   30   2HD   ARG 406           HD1      ARG 406   9.880  -3.676  -3.676
   31    HE   ARG 406           HE       ARG 406   7.264  -4.103  -4.103
   32   1HH1  ARG 406          HH21      ARG 406   7.111  -4.075  -4.075
   33   2HH1  ARG 406          HH22      ARG 406   7.319  -5.740  -5.740
   34   1HH2  ARG 406          HH11      ARG 406   8.629  -6.597  -6.597
   35   2HH2  ARG 406          HH12      ARG 406   8.197  -7.184  -7.184
   36    H    MET 407           HN       MET 407   8.386  -0.576  -0.576
   37    HA   MET 407           HA       MET 407   9.470   2.070   2.070
   38   1HB   MET 407           HB2      MET 407   7.936   2.594   2.594
   39   2HB   MET 407           HB1      MET 407   7.107   1.534   1.534
   40   1HG   MET 407           HG2      MET 407   8.268  -0.237  -0.237
   41   2HG   MET 407           HG1      MET 407   7.754   1.110   1.110
   42   1HE   MET 407           HE2      MET 407   6.993  -2.082  -2.082
   43   2HE   MET 407           HE1      MET 407   5.361  -2.150  -2.150
   44   3HE   MET 407           HE3      MET 407   6.667  -1.408  -1.408
   45    H    SER 408           HN       SER 408  10.286  -0.711  -0.711
   46    HA   SER 408           HA       SER 408  11.913   0.679   0.679
   47   1HB   SER 408           HB2      SER 408  10.727  -1.672  -1.672
   48   2HB   SER 408           HB1      SER 408  12.198  -2.242  -2.242
   49    HG   SER 408           HG       SER 408  11.788  -1.200  -1.200
   50    H    GLN 409           HN       GLN 409  12.331  -0.926  -0.926
   51    HA   GLN 409           HA       GLN 409  15.123  -1.163  -1.163
   52   1HB   GLN 409           HB2      GLN 409  13.422  -2.042  -2.042
   53   2HB   GLN 409           HB1      GLN 409  13.279  -0.407  -0.407
   54   1HG   GLN 409           HG2      GLN 409  15.908  -0.572  -0.572
   55   2HG   GLN 409           HG1      GLN 409  15.608  -2.306  -2.306
   56   1HE2  GLN 409          HE22      GLN 409  15.314  -0.716  -0.716
   57   2HE2  GLN 409          HE21      GLN 409  16.418  -0.330  -0.330
   58    H    ILE 410           HN       ILE 410  13.114   1.550   1.550
   59    HA   ILE 410           HA       ILE 410  15.110   3.266   3.266
   60    HB   ILE 410           HB       ILE 410  12.765   4.348   4.348
   61   1HG1  ILE 410          HG12      ILE 410  12.725   3.053   3.053
   62   2HG1  ILE 410          HG11      ILE 410  11.760   2.582   2.582
   63   1HG2  ILE 410          HG22      ILE 410  14.592   5.748   5.748
   64   2HG2  ILE 410          HG21      ILE 410  13.960   5.174   5.174
   65   3HG2  ILE 410          HG23      ILE 410  12.936   6.126   6.126
   66   1HD1  ILE 410          HD11      ILE 410  10.636   4.817   4.817
   67   2HD1  ILE 410          HD13      ILE 410  11.517   5.179   5.179
   68   3HD1  ILE 410          HD12      ILE 410  10.348   3.858   3.858
   69    H    LYS 411           HN       LYS 411  14.322   2.411   2.411
   70    HA   LYS 411           HA       LYS 411  16.015   4.523   4.523
   71   1HB   LYS 411           HB2      LYS 411  13.997   2.641   2.641
   72   2HB   LYS 411           HB1      LYS 411  15.195   3.340   3.340
   73   1HG   LYS 411           HG2      LYS 411  13.274   4.798   4.798
   74   2HG   LYS 411           HG1      LYS 411  14.531   5.622   5.622
   75   1HD   LYS 411           HD2      LYS 411  13.316   5.574   5.574
   76   2HD   LYS 411           HD1      LYS 411  12.842   3.896   3.896
   77   1HE   LYS 411           HE2      LYS 411  11.257   4.833   4.833
   78   2HE   LYS 411           HE1      LYS 411  11.519   6.392   6.392
   79   1HZ   LYS 411           HZ2      LYS 411  10.627   3.937   3.937
   80   2HZ   LYS 411           HZ1      LYS 411   9.558   5.127   5.127
   81   3HZ   LYS 411           HZ3      LYS 411  10.686   5.533   5.533
   82    H    ARG 412           HN       ARG 412  16.625   1.383   1.383
   83    HA   ARG 412           HA       ARG 412  18.587   0.843   0.843
   84   1HB   ARG 412           HB2      ARG 412  18.876  -1.073  -1.073
   85   2HB   ARG 412           HB1      ARG 412  18.169  -1.266  -1.266
   86   1HG   ARG 412           HG2      ARG 412  16.013  -0.522  -0.522
   87   2HG   ARG 412           HG1      ARG 412  16.827  -0.661  -0.661
   88   1HD   ARG 412           HD2      ARG 412  15.698  -2.765  -2.765
   89   2HD   ARG 412           HD1      ARG 412  17.427  -3.031  -3.031
   90    HE   ARG 412           HE       ARG 412  16.986  -3.571  -3.571
   91   1HH1  ARG 412          HH11      ARG 412  15.918  -0.901  -0.901
   92   2HH1  ARG 412          HH12      ARG 412  14.281  -1.258  -1.258
   93   1HH2  ARG 412          HH21      ARG 412  14.290  -4.399  -4.399
   94   2HH2  ARG 412          HH22      ARG 412  13.383  -3.262  -3.262
   95    H    LEU 413           HN       LEU 413  18.866   3.107   3.107
   96    HA   LEU 413           HA       LEU 413  20.941   2.490   2.490
   97   1HB   LEU 413           HB2      LEU 413  20.831   5.198   5.198
   98   2HB   LEU 413           HB1      LEU 413  21.228   4.796   4.796
   99    HG   LEU 413           HG       LEU 413  18.489   4.873   4.873
  100   1HD1  LEU 413          HD11      LEU 413  19.616   6.934   6.934
  101   2HD1  LEU 413          HD13      LEU 413  19.447   6.136   6.136
  102   3HD1  LEU 413          HD12      LEU 413  18.012   6.538   6.538
  103   1HD2  LEU 413          HD22      LEU 413  19.244   3.718   3.718
  104   2HD2  LEU 413          HD21      LEU 413  18.570   2.818   2.818
  105   3HD2  LEU 413          HD23      LEU 413  17.595   4.035   4.035
  106    H    LEU 414           HN       LEU 414  21.030   2.934   2.934
  107    HA   LEU 414           HA       LEU 414  23.840   3.463   3.463
  108   1HB   LEU 414           HB2      LEU 414  21.523   2.830   2.830
  109   2HB   LEU 414           HB1      LEU 414  23.139   2.705   2.705
  110    HG   LEU 414           HG       LEU 414  22.279   4.912   4.912
  111   1HD1  LEU 414          HD13      LEU 414  24.708   4.566   4.566
  112   2HD1  LEU 414          HD12      LEU 414  24.060   5.562   5.562
  113   3HD1  LEU 414          HD11      LEU 414  24.092   6.182   6.182
  114   1HD2  LEU 414          HD23      LEU 414  20.630   4.814   4.814
  115   2HD2  LEU 414          HD22      LEU 414  21.316   6.385   6.385
  116   3HD2  LEU 414          HD21      LEU 414  21.951   5.474   5.474
  117    H    SER 415           HN       SER 415  21.919   0.548   0.548
  118    HA   SER 415           HA       SER 415  23.592  -1.345  -1.345
  119   1HB   SER 415           HB2      SER 415  21.251  -1.460  -1.460
  120   2HB   SER 415           HB1      SER 415  22.390  -2.343  -2.343
  121    HG   SER 415           HG       SER 415  22.731  -3.788  -3.788
  122    H    GLU 416           HN       GLU 416  25.184  -2.806  -2.806
  123    HA   GLU 416           HA       GLU 416  27.325  -1.747  -1.747
  124   1HB   GLU 416           HB2      GLU 416  27.483  -4.422  -4.422
  125   2HB   GLU 416           HB1      GLU 416  28.178  -3.693  -3.693
  126   1HG   GLU 416           HG2      GLU 416  26.966  -5.735  -5.735
  127   2HG   GLU 416           HG1      GLU 416  26.203  -4.335  -4.335
  128    H    LYS 417           HN       LYS 417  25.299  -4.134  -4.134
  129    HA   LYS 417           HA       LYS 417  25.492  -2.320  -2.320
  130   1HB   LYS 417           HB2      LYS 417  27.349  -4.148  -4.148
  131   2HB   LYS 417           HB1      LYS 417  26.074  -5.236  -5.236
  132   1HG   LYS 417           HG2      LYS 417  26.539  -2.694  -2.694
  133   2HG   LYS 417           HG1      LYS 417  27.617  -4.061  -4.061
  134   1HD   LYS 417           HD2      LYS 417  24.592  -4.169  -4.169
  135   2HD   LYS 417           HD1      LYS 417  25.711  -4.040  -4.040
  136   1HE   LYS 417           HE2      LYS 417  26.015  -6.267  -6.267
  137   2HE   LYS 417           HE1      LYS 417  26.556  -6.221  -6.221
  138   1HZ   LYS 417           HZ3      LYS 417  24.120  -6.146  -6.146
  139   2HZ   LYS 417           HZ2      LYS 417  23.776  -6.517  -6.517
  140   3HZ   LYS 417           HZ1      LYS 417  24.661  -7.612  -7.612
  141    H    LYS 418           HN       LYS 418  23.198  -1.960  -1.960
  142    HA   LYS 418           HA       LYS 418  21.550  -4.258  -4.258
  143   1HB   LYS 418           HB2      LYS 418  21.464  -3.344  -3.344
  144   2HB   LYS 418           HB1      LYS 418  20.089  -2.597  -2.597
  145   1HG   LYS 418           HG2      LYS 418  18.934  -4.534  -4.534
  146   2HG   LYS 418           HG1      LYS 418  20.254  -5.340  -5.340
  147   1HD   LYS 418           HD2      LYS 418  19.779  -5.108  -5.108
  148   2HD   LYS 418           HD1      LYS 418  20.075  -6.559  -6.559
  149   1HE   LYS 418           HE2      LYS 418  22.352  -5.290  -5.290
  150   2HE   LYS 418           HE1      LYS 418  22.001  -4.511  -4.511
  151   1HZ   LYS 418           HZ3      LYS 418  21.943  -7.470  -7.470
  152   2HZ   LYS 418           HZ2      LYS 418  23.387  -6.632  -6.632
  153   3HZ   LYS 418           HZ1      LYS 418  22.057  -6.551  -6.551
  154    H    THR 419           HN       THR 419  21.375  -3.361  -3.361
  155    HA   THR 419           HA       THR 419  20.509  -2.024  -2.024
  156    HB   THR 419           HB       THR 419  18.288  -1.372  -1.372
  157    HG1  THR 419           HG1      THR 419  18.874  -0.614  -0.614
  158   1HG2  THR 419          HG23      THR 419  18.635  -3.710  -3.710
  159   2HG2  THR 419          HG22      THR 419  18.492  -2.984  -2.984
  160   3HG2  THR 419          HG21      THR 419  17.138  -2.904  -2.904
  161   1HN   NH2 420           HX1      THR 419  21.038   1.365   1.365
  162   2HN   NH2 420           HX2      THR 419  19.514   1.055   1.055

  Start of MODEL    2
    1   1H    ACE 402           HA1      ACE 402   7.952  -1.938  -1.938
    2   2H    ACE 402           HA2      ACE 402   8.431  -2.535  -2.535
    3   3H    ACE 402           HA3      ACE 402   6.726  -2.494  -2.494
    4    H    GLN 403           HN       GLN 403   5.878  -4.185  -4.185
    5    HA   GLN 403           HA       GLN 403   7.486  -6.626  -6.626
    6   1HB   GLN 403           HB2      GLN 403   5.077  -6.675  -6.675
    7   2HB   GLN 403           HB1      GLN 403   4.646  -6.120  -6.120
    8   1HG   GLN 403           HG2      GLN 403   5.717  -8.133  -8.133
    9   2HG   GLN 403           HG1      GLN 403   6.128  -8.692  -8.692
   10   1HE2  GLN 403          HE22      GLN 403   2.742  -9.619  -9.619
   11   2HE2  GLN 403          HE21      GLN 403   4.211  -9.147  -9.147
   12    H    ALA 404           HN       ALA 404   5.761  -4.405  -4.405
   13    HA   ALA 404           HA       ALA 404   6.210  -5.191  -5.191
   14   1HB   ALA 404           HB3      ALA 404   6.099  -2.422  -2.422
   15   2HB   ALA 404           HB2      ALA 404   5.829  -2.770  -2.770
   16   3HB   ALA 404           HB1      ALA 404   4.699  -3.372  -3.372
   17    H    GLU 405           HN       GLU 405   7.618  -4.149  -4.149
   18    HA   GLU 405           HA       GLU 405  10.348  -3.630  -3.630
   19   1HB   GLU 405           HB2      GLU 405  10.733  -3.217  -3.217
   20   2HB   GLU 405           HB1      GLU 405  10.509  -4.856  -4.856
   21   1HG   GLU 405           HG2      GLU 405   9.217  -4.359  -4.359
   22   2HG   GLU 405           HG1      GLU 405   8.191  -4.867  -4.867
   23    H    ARG 406           HN       ARG 406   8.109  -1.743  -1.743
   24    HA   ARG 406           HA       ARG 406   8.608   0.659   0.659
   25   1HB   ARG 406           HB2      ARG 406   6.335  -0.432  -0.432
   26   2HB   ARG 406           HB1      ARG 406   6.752   0.907   0.907
   27   1HG   ARG 406           HG2      ARG 406   5.518   2.081   2.081
   28   2HG   ARG 406           HG1      ARG 406   7.074   2.137   2.137
   29   1HD   ARG 406           HD2      ARG 406   5.179  -0.157  -0.157
   30   2HD   ARG 406           HD1      ARG 406   4.988   1.356   1.356
   31    HE   ARG 406           HE       ARG 406   6.835  -0.652  -0.652
   32   1HH1  ARG 406          HH21      ARG 406   6.291   2.584   2.584
   33   2HH1  ARG 406          HH22      ARG 406   7.934   2.990   2.990
   34   1HH2  ARG 406          HH11      ARG 406   9.214  -0.079  -0.079
   35   2HH2  ARG 406          HH12      ARG 406   9.571   1.482   1.482
   36    H    MET 407           HN       MET 407   8.541  -0.395  -0.395
   37    HA   MET 407           HA       MET 407   9.867   1.931   1.931
   38   1HB   MET 407           HB2      MET 407   9.010   0.931   0.931
   39   2HB   MET 407           HB1      MET 407   8.886  -0.608  -0.608
   40   1HG   MET 407           HG2      MET 407  11.668  -0.037  -0.037
   41   2HG   MET 407           HG1      MET 407  10.649   0.107   0.107
   42   1HE   MET 407           HE1      MET 407   9.747  -1.893  -1.893
   43   2HE   MET 407           HE3      MET 407  11.440  -2.397  -2.397
   44   3HE   MET 407           HE2      MET 407  10.175  -3.560  -3.560
   45    H    SER 408           HN       SER 408  10.920  -0.914  -0.914
   46    HA   SER 408           HA       SER 408  13.718  -0.760  -0.760
   47   1HB   SER 408           HB2      SER 408  12.322  -2.735  -2.735
   48   2HB   SER 408           HB1      SER 408  12.778  -1.918  -1.918
   49    HG   SER 408           HG       SER 408  14.384  -3.177  -3.177
   50    H    GLN 409           HN       GLN 409  11.745   0.257   0.257
   51    HA   GLN 409           HA       GLN 409  13.626   1.621   1.621
   52   1HB   GLN 409           HB2      GLN 409  11.189   1.138   1.138
   53   2HB   GLN 409           HB1      GLN 409  10.796   2.560   2.560
   54   1HG   GLN 409           HG2      GLN 409  12.727   3.624   3.624
   55   2HG   GLN 409           HG1      GLN 409  12.109   2.388   2.388
   56   1HE2  GLN 409          HE22      GLN 409   9.801   5.633   5.633
   57   2HE2  GLN 409          HE21      GLN 409  11.282   5.409   5.409
   58    H    ILE 410           HN       ILE 410  11.684   2.908   2.908
   59    HA   ILE 410           HA       ILE 410  12.801   5.522   5.522
   60    HB   ILE 410           HB       ILE 410  11.528   4.218   4.218
   61   1HG1  ILE 410          HG12      ILE 410  10.301   5.509   5.509
   62   2HG1  ILE 410          HG11      ILE 410   9.988   3.897   3.897
   63   1HG2  ILE 410          HG23      ILE 410  12.701   6.414   6.414
   64   2HG2  ILE 410          HG22      ILE 410  11.612   7.084   7.084
   65   3HG2  ILE 410          HG21      ILE 410  10.971   6.505   6.505
   66   1HD1  ILE 410          HD11      ILE 410   9.239   5.291   5.291
   67   2HD1  ILE 410          HD13      ILE 410   8.905   6.508   6.508
   68   3HD1  ILE 410          HD12      ILE 410   8.123   4.929   4.929
   69    H    LYS 411           HN       LYS 411  13.576   2.705   2.705
   70    HA   LYS 411           HA       LYS 411  15.876   4.121   4.121
   71   1HB   LYS 411           HB2      LYS 411  14.404   1.594   1.594
   72   2HB   LYS 411           HB1      LYS 411  16.051   1.765   1.765
   73   1HG   LYS 411           HG2      LYS 411  14.710   2.612   2.612
   74   2HG   LYS 411           HG1      LYS 411  15.295   4.052   4.052
   75   1HD   LYS 411           HD2      LYS 411  13.212   4.384   4.384
   76   2HD   LYS 411           HD1      LYS 411  12.644   2.768   2.768
   77   1HE   LYS 411           HE2      LYS 411  12.938   3.578   3.578
   78   2HE   LYS 411           HE1      LYS 411  12.907   5.194   5.194
   79   1HZ   LYS 411           HZ1      LYS 411  10.807   3.117   3.117
   80   2HZ   LYS 411           HZ3      LYS 411  10.688   4.431   4.431
   81   3HZ   LYS 411           HZ2      LYS 411  10.774   4.704   4.704
   82    H    ARG 412           HN       ARG 412  15.947   3.265   3.265
   83    HA   ARG 412           HA       ARG 412  17.706   1.064   1.064
   84   1HB   ARG 412           HB2      ARG 412  16.992   3.310   3.310
   85   2HB   ARG 412           HB1      ARG 412  18.112   2.061   2.061
   86   1HG   ARG 412           HG2      ARG 412  16.065   0.553   0.553
   87   2HG   ARG 412           HG1      ARG 412  15.232   1.943   1.943
   88   1HD   ARG 412           HD2      ARG 412  15.328   0.945   0.945
   89   2HD   ARG 412           HD1      ARG 412  17.026   1.413   1.413
   90    HE   ARG 412           HE       ARG 412  17.521  -0.893  -0.893
   91   1HH1  ARG 412          HH11      ARG 412  16.854  -1.425  -1.425
   92   2HH1  ARG 412          HH12      ARG 412  15.471  -2.484  -2.484
   93   1HH2  ARG 412          HH21      ARG 412  14.796  -1.778  -1.778
   94   2HH2  ARG 412          HH22      ARG 412  14.332  -2.724  -2.724
   95    H    LEU 413           HN       LEU 413  18.269   4.236   4.236
   96    HA   LEU 413           HA       LEU 413  21.013   4.580   4.580
   97   1HB   LEU 413           HB2      LEU 413  19.978   5.556   5.556
   98   2HB   LEU 413           HB1      LEU 413  21.108   6.347   6.347
   99    HG   LEU 413           HG       LEU 413  18.087   6.165   6.165
  100   1HD1  LEU 413          HD13      LEU 413  20.111   8.403   8.403
  101   2HD1  LEU 413          HD12      LEU 413  18.442   8.676   8.676
  102   3HD1  LEU 413          HD11      LEU 413  18.785   8.027   8.027
  103   1HD2  LEU 413          HD23      LEU 413  20.152   6.828   6.828
  104   2HD2  LEU 413          HD22      LEU 413  18.768   5.743   5.743
  105   3HD2  LEU 413          HD21      LEU 413  18.518   7.487   7.487
  106    H    LEU 414           HN       LEU 414  19.370   2.766   2.766
  107    HA   LEU 414           HA       LEU 414  21.781   1.892   1.892
  108   1HB   LEU 414           HB2      LEU 414  20.094   2.173   2.173
  109   2HB   LEU 414           HB1      LEU 414  18.836   1.803   1.803
  110    HG   LEU 414           HG       LEU 414  20.528  -0.520  -0.520
  111   1HD1  LEU 414          HD11      LEU 414  19.000   0.923   0.923
  112   2HD1  LEU 414          HD13      LEU 414  19.361  -0.801  -0.801
  113   3HD1  LEU 414          HD12      LEU 414  20.676   0.373   0.373
  114   1HD2  LEU 414          HD23      LEU 414  18.190  -0.172  -0.172
  115   2HD2  LEU 414          HD22      LEU 414  18.478  -1.608  -1.608
  116   3HD2  LEU 414          HD21      LEU 414  17.574  -0.248  -0.248
  117    H    SER 415           HN       SER 415  19.531   0.700   0.700
  118    HA   SER 415           HA       SER 415  20.132  -2.079  -2.079
  119   1HB   SER 415           HB2      SER 415  19.456  -0.240  -0.240
  120   2HB   SER 415           HB1      SER 415  19.605  -1.980  -1.980
  121    HG   SER 415           HG       SER 415  17.981  -2.134  -2.134
  122    H    GLU 416           HN       GLU 416  22.244  -2.818  -2.818
  123    HA   GLU 416           HA       GLU 416  24.407  -1.460  -1.460
  124   1HB   GLU 416           HB2      GLU 416  24.514  -2.766  -2.766
  125   2HB   GLU 416           HB1      GLU 416  24.713  -4.184  -4.184
  126   1HG   GLU 416           HG2      GLU 416  26.483  -2.441  -2.441
  127   2HG   GLU 416           HG1      GLU 416  26.589  -1.951  -1.951
  128    H    LYS 417           HN       LYS 417  23.793  -1.650  -1.650
  129    HA   LYS 417           HA       LYS 417  23.439  -4.333  -4.333
  130   1HB   LYS 417           HB2      LYS 417  22.344  -1.932  -1.932
  131   2HB   LYS 417           HB1      LYS 417  23.714  -1.943  -1.943
  132   1HG   LYS 417           HG2      LYS 417  21.824  -4.295  -4.295
  133   2HG   LYS 417           HG1      LYS 417  21.531  -2.973  -2.973
  134   1HD   LYS 417           HD2      LYS 417  24.106  -4.576  -4.576
  135   2HD   LYS 417           HD1      LYS 417  22.743  -4.963  -4.963
  136   1HE   LYS 417           HE2      LYS 417  23.296  -3.339  -3.339
  137   2HE   LYS 417           HE1      LYS 417  23.435  -2.137  -2.137
  138   1HZ   LYS 417           HZ3      LYS 417  25.658  -3.014  -3.014
  139   2HZ   LYS 417           HZ2      LYS 417  25.520  -4.118  -4.118
  140   3HZ   LYS 417           HZ1      LYS 417  25.560  -2.447  -2.447
  141    H    LYS 418           HN       LYS 418  25.722  -4.755  -4.755
  142    HA   LYS 418           HA       LYS 418  27.718  -4.400  -4.400
  143   1HB   LYS 418           HB2      LYS 418  27.783  -2.463  -2.463
  144   2HB   LYS 418           HB1      LYS 418  28.474  -3.662  -3.662
  145   1HG   LYS 418           HG2      LYS 418  29.636  -3.388  -3.388
  146   2HG   LYS 418           HG1      LYS 418  30.052  -2.179  -2.179
  147   1HD   LYS 418           HD2      LYS 418  30.445  -5.176  -5.176
  148   2HD   LYS 418           HD1      LYS 418  31.713  -3.999  -3.999
  149   1HE   LYS 418           HE2      LYS 418  31.960  -3.831  -3.831
  150   2HE   LYS 418           HE1      LYS 418  30.392  -3.028  -3.028
  151   1HZ   LYS 418           HZ2      LYS 418  30.404  -5.972  -5.972
  152   2HZ   LYS 418           HZ1      LYS 418  30.874  -5.229  -5.229
  153   3HZ   LYS 418           HZ3      LYS 418  29.325  -4.910  -4.910
  154    H    THR 419           HN       THR 419  28.462  -6.300  -6.300
  155    HA   THR 419           HA       THR 419  28.153  -8.736  -8.736
  156    HB   THR 419           HB       THR 419  29.071  -8.711  -8.711
  157    HG1  THR 419           HG1      THR 419  30.641 -10.159 -10.159
  158   1HG2  THR 419          HG23      THR 419  30.914  -6.701  -6.701
  159   2HG2  THR 419          HG22      THR 419  31.614  -7.748  -7.748
  160   3HG2  THR 419          HG21      THR 419  30.199  -6.768  -6.768
  161   1HN   NH2 420           HX1      THR 419  30.337 -10.097 -10.097
  162   2HN   NH2 420           HX2      THR 419  30.177  -9.376  -9.376

  Start of MODEL    3
    1   1H    ACE 402           HA1      ACE 402   5.595  -2.027  -2.027
    2   2H    ACE 402           HA2      ACE 402   5.308  -1.533  -1.533
    3   3H    ACE 402           HA3      ACE 402   4.015  -1.409  -1.409
    4    H    GLN 403           HN       GLN 403   6.180  -4.188  -4.188
    5    HA   GLN 403           HA       GLN 403   3.892  -5.982  -5.982
    6   1HB   GLN 403           HB2      GLN 403   5.960  -6.316  -6.316
    7   2HB   GLN 403           HB1      GLN 403   6.710  -6.973  -6.973
    8   1HG   GLN 403           HG2      GLN 403   4.643  -8.446  -8.446
    9   2HG   GLN 403           HG1      GLN 403   4.186  -7.934  -7.934
   10   1HE2  GLN 403          HE22      GLN 403   6.379 -10.232 -10.232
   11   2HE2  GLN 403          HE21      GLN 403   5.036  -9.209  -9.209
   12    H    ALA 404           HN       ALA 404   7.028  -5.441  -5.441
   13    HA   ALA 404           HA       ALA 404   6.728  -6.565  -6.565
   14   1HB   ALA 404           HB1      ALA 404   8.870  -6.335  -6.335
   15   2HB   ALA 404           HB3      ALA 404   8.822  -4.635  -4.635
   16   3HB   ALA 404           HB2      ALA 404   9.034  -5.820  -5.820
   17    H    GLU 405           HN       GLU 405   6.763  -5.146  -5.146
   18    HA   GLU 405           HA       GLU 405   5.528  -2.519  -2.519
   19   1HB   GLU 405           HB2      GLU 405   6.104  -2.141  -2.141
   20   2HB   GLU 405           HB1      GLU 405   5.154  -3.596  -3.596
   21   1HG   GLU 405           HG2      GLU 405   8.074  -4.060  -4.060
   22   2HG   GLU 405           HG1      GLU 405   7.473  -3.476  -3.476
   23    H    ARG 406           HN       ARG 406   6.744  -0.869  -0.869
   24    HA   ARG 406           HA       ARG 406   9.437  -1.104  -1.104
   25   1HB   ARG 406           HB2      ARG 406   7.302   0.895   0.895
   26   2HB   ARG 406           HB1      ARG 406   8.882   1.612   1.612
   27   1HG   ARG 406           HG2      ARG 406   8.814   1.421   1.421
   28   2HG   ARG 406           HG1      ARG 406   9.396  -0.205  -0.205
   29   1HD   ARG 406           HD2      ARG 406   6.848  -0.773  -0.773
   30   2HD   ARG 406           HD1      ARG 406   6.619   0.696   0.696
   31    HE   ARG 406           HE       ARG 406   7.252  -0.582  -0.582
   32   1HH1  ARG 406          HH21      ARG 406   9.787  -1.037  -1.037
   33   2HH1  ARG 406          HH22      ARG 406  10.191  -2.624  -2.624
   34   1HH2  ARG 406          HH11      ARG 406   7.321  -2.953  -2.953
   35   2HH2  ARG 406          HH12      ARG 406   8.779  -3.722  -3.722
   36    H    MET 407           HN       MET 407  10.246  -1.953  -1.953
   37    HA   MET 407           HA       MET 407  11.038   0.276   0.276
   38   1HB   MET 407           HB2      MET 407  12.300  -1.697  -1.697
   39   2HB   MET 407           HB1      MET 407  10.591  -1.399  -1.399
   40   1HG   MET 407           HG2      MET 407  10.859  -3.756  -3.756
   41   2HG   MET 407           HG1      MET 407  10.138  -3.148  -3.148
   42   1HE   MET 407           HE2      MET 407  10.592  -5.084  -5.084
   43   2HE   MET 407           HE1      MET 407  11.087  -3.784  -3.784
   44   3HE   MET 407           HE3      MET 407  12.055  -5.259  -5.259
   45    H    SER 408           HN       SER 408  12.478  -1.842  -1.842
   46    HA   SER 408           HA       SER 408  15.168  -0.795  -0.795
   47   1HB   SER 408           HB2      SER 408  15.039  -3.151  -3.151
   48   2HB   SER 408           HB1      SER 408  14.142  -2.736  -2.736
   49    HG   SER 408           HG       SER 408  15.957  -2.208  -2.208
   50    H    GLN 409           HN       GLN 409  12.492  -0.291  -0.291
   51    HA   GLN 409           HA       GLN 409  13.580   1.124   1.124
   52   1HB   GLN 409           HB2      GLN 409  11.229   0.376   0.376
   53   2HB   GLN 409           HB1      GLN 409  10.920   1.485   1.485
   54   1HG   GLN 409           HG2      GLN 409  10.194   2.889   2.889
   55   2HG   GLN 409           HG1      GLN 409  11.906   3.221   3.221
   56   1HE2  GLN 409          HE22      GLN 409   9.879   1.429   1.429
   57   2HE2  GLN 409          HE21      GLN 409   9.094   2.075   2.075
   58    H    ILE 410           HN       ILE 410  12.717   2.294   2.294
   59    HA   ILE 410           HA       ILE 410  13.321   5.036   5.036
   60    HB   ILE 410           HB       ILE 410  13.174   3.665   3.665
   61   1HG1  ILE 410          HG12      ILE 410  11.014   4.747   4.747
   62   2HG1  ILE 410          HG11      ILE 410  11.128   3.125   3.125
   63   1HG2  ILE 410          HG22      ILE 410  12.735   6.508   6.508
   64   2HG2  ILE 410          HG21      ILE 410  12.489   5.941   5.941
   65   3HG2  ILE 410          HG23      ILE 410  14.105   5.924   5.924
   66   1HD1  ILE 410          HD11      ILE 410  10.977   4.329   4.329
   67   2HD1  ILE 410          HD13      ILE 410  10.311   5.669   5.669
   68   3HD1  ILE 410          HD12      ILE 410   9.504   4.100   4.100
   69    H    LYS 411           HN       LYS 411  15.016   2.506   2.506
   70    HA   LYS 411           HA       LYS 411  17.487   4.148   4.148
   71   1HB   LYS 411           HB2      LYS 411  16.481   1.750   1.750
   72   2HB   LYS 411           HB1      LYS 411  18.226   1.910   1.910
   73   1HG   LYS 411           HG2      LYS 411  17.677   3.016   3.016
   74   2HG   LYS 411           HG1      LYS 411  17.954   4.302   4.302
   75   1HD   LYS 411           HD2      LYS 411  15.562   4.575   4.575
   76   2HD   LYS 411           HD1      LYS 411  15.215   3.179   3.179
   77   1HE   LYS 411           HE2      LYS 411  16.870   5.023   5.023
   78   2HE   LYS 411           HE1      LYS 411  15.489   5.895   5.895
   79   1HZ   LYS 411           HZ3      LYS 411  14.025   4.185   4.185
   80   2HZ   LYS 411           HZ2      LYS 411  15.371   3.407   3.407
   81   3HZ   LYS 411           HZ1      LYS 411  14.933   4.967   4.967
   82    H    ARG 412           HN       ARG 412  16.621   3.084   3.084
   83    HA   ARG 412           HA       ARG 412  18.148   0.817   0.817
   84   1HB   ARG 412           HB2      ARG 412  17.031   3.079   3.079
   85   2HB   ARG 412           HB1      ARG 412  17.895   1.769   1.769
   86   1HG   ARG 412           HG2      ARG 412  16.248   0.234   0.234
   87   2HG   ARG 412           HG1      ARG 412  15.334   1.711   1.711
   88   1HD   ARG 412           HD2      ARG 412  16.327   1.057   1.057
   89   2HD   ARG 412           HD1      ARG 412  14.888   0.249   0.249
   90    HE   ARG 412           HE       ARG 412  13.705   2.261   2.261
   91   1HH1  ARG 412          HH11      ARG 412  14.840   4.242   4.242
   92   2HH1  ARG 412          HH12      ARG 412  15.714   5.289   5.289
   93   1HH2  ARG 412          HH21      ARG 412  15.769   2.957   2.957
   94   2HH2  ARG 412          HH22      ARG 412  16.249   4.547   4.547
   95    H    LEU 413           HN       LEU 413  18.925   4.114   4.114
   96    HA   LEU 413           HA       LEU 413  21.413   4.337   4.337
   97   1HB   LEU 413           HB2      LEU 413  21.056   5.691   5.691
   98   2HB   LEU 413           HB1      LEU 413  21.800   6.322   6.322
   99    HG   LEU 413           HG       LEU 413  18.828   6.048   6.048
  100   1HD1  LEU 413          HD11      LEU 413  20.047   8.058   8.058
  101   2HD1  LEU 413          HD13      LEU 413  20.540   8.412   8.412
  102   3HD1  LEU 413          HD12      LEU 413  18.832   8.455   8.455
  103   1HD2  LEU 413          HD23      LEU 413  20.256   6.441   6.441
  104   2HD2  LEU 413          HD22      LEU 413  18.902   5.375   5.375
  105   3HD2  LEU 413          HD21      LEU 413  18.651   7.116   7.116
  106    H    LEU 414           HN       LEU 414  20.510   2.963   2.963
  107    HA   LEU 414           HA       LEU 414  23.234   2.311   2.311
  108   1HB   LEU 414           HB2      LEU 414  20.643   2.608   2.608
  109   2HB   LEU 414           HB1      LEU 414  21.258   1.008   1.008
  110    HG   LEU 414           HG       LEU 414  21.960   2.588   2.588
  111   1HD1  LEU 414          HD13      LEU 414  23.557   0.743   0.743
  112   2HD1  LEU 414          HD12      LEU 414  24.484   2.145   2.145
  113   3HD1  LEU 414          HD11      LEU 414  24.175   1.896   1.896
  114   1HD2  LEU 414          HD21      LEU 414  22.134   4.383   4.383
  115   2HD2  LEU 414          HD23      LEU 414  22.650   4.690   4.690
  116   3HD2  LEU 414          HD22      LEU 414  23.817   4.128   4.128
  117    H    SER 415           HN       SER 415  20.222   0.624   0.624
  118    HA   SER 415           HA       SER 415  21.189  -2.033  -2.033
  119   1HB   SER 415           HB2      SER 415  19.106  -0.672  -0.672
  120   2HB   SER 415           HB1      SER 415  19.525  -2.324  -2.324
  121    HG   SER 415           HG       SER 415  17.800  -2.109  -2.109
  122    H    GLU 416           HN       GLU 416  21.657   0.323   0.323
  123    HA   GLU 416           HA       GLU 416  22.730  -1.245  -1.245
  124   1HB   GLU 416           HB2      GLU 416  22.244   1.259   1.259
  125   2HB   GLU 416           HB1      GLU 416  23.794   1.484   1.484
  126   1HG   GLU 416           HG2      GLU 416  24.195   1.744   1.744
  127   2HG   GLU 416           HG1      GLU 416  24.865   0.176   0.176
  128    H    LYS 417           HN       LYS 417  24.313  -0.227  -0.227
  129    HA   LYS 417           HA       LYS 417  26.834  -1.523  -1.523
  130   1HB   LYS 417           HB2      LYS 417  26.373   0.921   0.921
  131   2HB   LYS 417           HB1      LYS 417  26.874  -0.104  -0.104
  132   1HG   LYS 417           HG2      LYS 417  28.403   0.150   0.150
  133   2HG   LYS 417           HG1      LYS 417  28.776   1.083   1.083
  134   1HD   LYS 417           HD2      LYS 417  28.678  -1.942  -1.942
  135   2HD   LYS 417           HD1      LYS 417  30.147  -1.056  -1.056
  136   1HE   LYS 417           HE2      LYS 417  30.520  -0.486  -0.486
  137   2HE   LYS 417           HE1      LYS 417  28.827  -0.076  -0.076
  138   1HZ   LYS 417           HZ2      LYS 417  28.327  -2.467  -2.467
  139   2HZ   LYS 417           HZ1      LYS 417  29.993  -2.817  -2.817
  140   3HZ   LYS 417           HZ3      LYS 417  29.437  -1.971  -1.971
  141    H    LYS 418           HN       LYS 418  24.468  -3.092  -3.092
  142    HA   LYS 418           HA       LYS 418  25.625  -4.444  -4.444
  143   1HB   LYS 418           HB2      LYS 418  23.410  -3.112  -3.112
  144   2HB   LYS 418           HB1      LYS 418  22.666  -4.412  -4.412
  145   1HG   LYS 418           HG2      LYS 418  24.406  -4.987  -4.987
  146   2HG   LYS 418           HG1      LYS 418  22.687  -4.644  -4.644
  147   1HD   LYS 418           HD2      LYS 418  23.886  -6.883  -6.883
  148   2HD   LYS 418           HD1      LYS 418  23.111  -7.073  -7.073
  149   1HE   LYS 418           HE2      LYS 418  21.001  -6.169  -6.169
  150   2HE   LYS 418           HE1      LYS 418  21.794  -6.104  -6.104
  151   1HZ   LYS 418           HZ2      LYS 418  22.267  -8.547  -8.547
  152   2HZ   LYS 418           HZ1      LYS 418  21.236  -8.520  -8.520
  153   3HZ   LYS 418           HZ3      LYS 418  20.618  -8.150  -8.150
  154    H    THR 419           HN       THR 419  26.677  -6.073  -6.073
  155    HA   THR 419           HA       THR 419  26.980  -8.033  -8.033
  156    HB   THR 419           HB       THR 419  25.455  -9.783  -9.783
  157    HG1  THR 419           HG1      THR 419  23.520  -7.770  -7.770
  158   1HG2  THR 419          HG21      THR 419  25.549  -7.616  -7.616
  159   2HG2  THR 419          HG23      THR 419  24.787  -9.169  -9.169
  160   3HG2  THR 419          HG22      THR 419  26.497  -9.096  -9.096
  161   1HN   NH2 420           HX1      THR 419  25.188  -8.876  -8.876
  162   2HN   NH2 420           HX2      THR 419  24.154  -9.160  -9.160

  Start of MODEL    4
    1   1H    ACE 402           HA1      ACE 402   5.745  -1.678  -1.678
    2   2H    ACE 402           HA2      ACE 402   6.244  -1.221  -1.221
    3   3H    ACE 402           HA3      ACE 402   4.636  -1.892  -1.892
    4    H    GLN 403           HN       GLN 403   4.699  -4.168  -4.168
    5    HA   GLN 403           HA       GLN 403   6.466  -5.868  -5.868
    6   1HB   GLN 403           HB2      GLN 403   5.104  -7.685  -7.685
    7   2HB   GLN 403           HB1      GLN 403   3.991  -6.337  -6.337
    8   1HG   GLN 403           HG2      GLN 403   5.190  -7.062  -7.062
    9   2HG   GLN 403           HG1      GLN 403   3.782  -7.911  -7.911
   10   1HE2  GLN 403          HE22      GLN 403   1.570  -5.202  -5.202
   11   2HE2  GLN 403          HE21      GLN 403   1.743  -6.741  -6.741
   12    H    ALA 404           HN       ALA 404   5.956  -4.864  -4.864
   13    HA   ALA 404           HA       ALA 404   7.772  -6.376  -6.376
   14   1HB   ALA 404           HB3      ALA 404   6.812  -3.497  -3.497
   15   2HB   ALA 404           HB2      ALA 404   7.548  -4.380  -4.380
   16   3HB   ALA 404           HB1      ALA 404   5.973  -4.886  -4.886
   17    H    GLU 405           HN       GLU 405   9.801  -5.594  -5.594
   18    HA   GLU 405           HA       GLU 405  11.423  -3.962  -3.962
   19   1HB   GLU 405           HB2      GLU 405  12.048  -5.403  -5.403
   20   2HB   GLU 405           HB1      GLU 405  13.232  -4.430  -4.430
   21   1HG   GLU 405           HG2      GLU 405  12.751  -5.855  -5.855
   22   2HG   GLU 405           HG1      GLU 405  11.805  -6.912  -6.912
   23    H    ARG 406           HN       ARG 406   9.053  -2.700  -2.700
   24    HA   ARG 406           HA       ARG 406  10.157  -0.997  -0.997
   25   1HB   ARG 406           HB2      ARG 406   7.681  -2.109  -2.109
   26   2HB   ARG 406           HB1      ARG 406   7.432  -0.492  -0.492
   27   1HG   ARG 406           HG2      ARG 406   6.984  -0.032  -0.032
   28   2HG   ARG 406           HG1      ARG 406   8.731   0.155   0.155
   29   1HD   ARG 406           HD2      ARG 406   8.679  -2.454  -2.454
   30   2HD   ARG 406           HD1      ARG 406   7.044  -2.101  -2.101
   31    HE   ARG 406           HE       ARG 406   7.989  -1.017  -1.017
   32   1HH1  ARG 406          HH11      ARG 406   9.657   1.048   1.048
   33   2HH1  ARG 406          HH12      ARG 406  11.284   0.483   0.483
   34   1HH2  ARG 406          HH21      ARG 406  10.342  -2.833  -2.833
   35   2HH2  ARG 406          HH22      ARG 406  11.670  -1.714  -1.714
   36    H    MET 407           HN       MET 407   8.604  -0.723  -0.723
   37    HA   MET 407           HA       MET 407   9.182   2.087   2.087
   38   1HB   MET 407           HB2      MET 407   7.556   1.633   1.633
   39   2HB   MET 407           HB1      MET 407   7.940  -0.060  -0.060
   40   1HG   MET 407           HG2      MET 407   9.537   2.058   2.058
   41   2HG   MET 407           HG1      MET 407   8.177   1.212   1.212
   42   1HE   MET 407           HE1      MET 407   8.190  -1.534  -1.534
   43   2HE   MET 407           HE3      MET 407   9.474  -1.563  -1.563
   44   3HE   MET 407           HE2      MET 407   9.606  -2.548  -2.548
   45    H    SER 408           HN       SER 408  10.930  -0.812  -0.812
   46    HA   SER 408           HA       SER 408  13.067   0.290   0.290
   47   1HB   SER 408           HB2      SER 408  12.967  -1.997  -1.997
   48   2HB   SER 408           HB1      SER 408  12.444  -2.305  -2.305
   49    HG   SER 408           HG       SER 408  14.487  -2.257  -2.257
   50    H    GLN 409           HN       GLN 409  12.520  -0.443  -0.443
   51    HA   GLN 409           HA       GLN 409  15.043   0.133   0.133
   52   1HB   GLN 409           HB2      GLN 409  13.110  -0.842  -0.842
   53   2HB   GLN 409           HB1      GLN 409  12.438   0.787   0.787
   54   1HG   GLN 409           HG2      GLN 409  14.040   1.539   1.539
   55   2HG   GLN 409           HG1      GLN 409  15.283   0.461   0.461
   56   1HE2  GLN 409          HE22      GLN 409  14.630  -2.045  -2.045
   57   2HE2  GLN 409          HE21      GLN 409  15.613  -1.524  -1.524
   58    H    ILE 410           HN       ILE 410  12.717   2.393   2.393
   59    HA   ILE 410           HA       ILE 410  13.931   4.683   4.683
   60    HB   ILE 410           HB       ILE 410  12.210   4.734   4.734
   61   1HG1  ILE 410          HG12      ILE 410  11.391   4.433   4.433
   62   2HG1  ILE 410          HG11      ILE 410  11.005   3.334   3.334
   63   1HG2  ILE 410          HG22      ILE 410  13.383   6.788   6.788
   64   2HG2  ILE 410          HG21      ILE 410  12.457   6.621   6.621
   65   3HG2  ILE 410          HG23      ILE 410  11.623   6.919   6.919
   66   1HD1  ILE 410          HD11      ILE 410   9.661   5.125   5.125
   67   2HD1  ILE 410          HD13      ILE 410   9.990   6.182   6.182
   68   3HD1  ILE 410          HD12      ILE 410   9.046   4.711   4.711
   69    H    LYS 411           HN       LYS 411  14.080   3.274   3.274
   70    HA   LYS 411           HA       LYS 411  16.265   5.053   5.053
   71   1HB   LYS 411           HB2      LYS 411  15.037   5.017   5.017
   72   2HB   LYS 411           HB1      LYS 411  13.995   3.800   3.800
   73   1HG   LYS 411           HG2      LYS 411  16.591   3.166   3.166
   74   2HG   LYS 411           HG1      LYS 411  15.017   3.198   3.198
   75   1HD   LYS 411           HD2      LYS 411  14.179   1.417   1.417
   76   2HD   LYS 411           HD1      LYS 411  15.551   1.493   1.493
   77   1HE   LYS 411           HE2      LYS 411  15.757   0.762   0.762
   78   2HE   LYS 411           HE1      LYS 411  15.688  -0.414  -0.414
   79   1HZ   LYS 411           HZ1      LYS 411  17.707   1.544   1.544
   80   2HZ   LYS 411           HZ3      LYS 411  17.944   0.838   0.838
   81   3HZ   LYS 411           HZ2      LYS 411  17.867  -0.157  -0.157
   82    H    ARG 412           HN       ARG 412  16.419   2.391   2.391
   83    HA   ARG 412           HA       ARG 412  18.135   0.644   0.644
   84   1HB   ARG 412           HB2      ARG 412  17.284   0.958   0.958
   85   2HB   ARG 412           HB1      ARG 412  18.642  -0.052  -0.052
   86   1HG   ARG 412           HG2      ARG 412  16.864  -0.991  -0.991
   87   2HG   ARG 412           HG1      ARG 412  15.810  -0.439  -0.439
   88   1HD   ARG 412           HD2      ARG 412  16.174  -2.333  -2.333
   89   2HD   ARG 412           HD1      ARG 412  17.816  -1.761  -1.761
   90    HE   ARG 412           HE       ARG 412  18.500  -3.013  -3.013
   91   1HH1  ARG 412          HH11      ARG 412  15.782  -3.481  -3.481
   92   2HH1  ARG 412          HH12      ARG 412  15.473  -5.136  -5.136
   93   1HH2  ARG 412          HH21      ARG 412  18.062  -5.240  -5.240
   94   2HH2  ARG 412          HH22      ARG 412  16.757  -6.128  -6.128
   95    H    LEU 413           HN       LEU 413  18.901   3.713   3.713
   96    HA   LEU 413           HA       LEU 413  21.431   3.534   3.534
   97   1HB   LEU 413           HB2      LEU 413  20.845   5.618   5.618
   98   2HB   LEU 413           HB1      LEU 413  21.858   5.777   5.777
   99    HG   LEU 413           HG       LEU 413  18.836   5.782   5.782
  100   1HD1  LEU 413          HD11      LEU 413  20.064   7.918   7.918
  101   2HD1  LEU 413          HD13      LEU 413  20.847   7.579   7.579
  102   3HD1  LEU 413          HD12      LEU 413  19.104   7.837   7.837
  103   1HD2  LEU 413          HD21      LEU 413  20.550   5.182   5.182
  104   2HD2  LEU 413          HD23      LEU 413  19.196   4.241   4.241
  105   3HD2  LEU 413          HD22      LEU 413  18.906   5.806   5.806
  106    H    LEU 414           HN       LEU 414  20.562   3.378   3.378
  107    HA   LEU 414           HA       LEU 414  23.265   2.933   2.933
  108   1HB   LEU 414           HB2      LEU 414  22.368   3.274   3.274
  109   2HB   LEU 414           HB1      LEU 414  21.263   4.194   4.194
  110    HG   LEU 414           HG       LEU 414  19.998   1.813   1.813
  111   1HD1  LEU 414          HD11      LEU 414  21.731   0.737   0.737
  112   2HD1  LEU 414          HD13      LEU 414  21.432   1.923   1.923
  113   3HD1  LEU 414          HD12      LEU 414  20.175   0.771   0.771
  114   1HD2  LEU 414          HD22      LEU 414  19.919   4.041   4.041
  115   2HD2  LEU 414          HD21      LEU 414  18.822   3.752   3.752
  116   3HD2  LEU 414          HD23      LEU 414  18.772   2.703   2.703
  117    H    SER 415           HN       SER 415  20.591   0.906   0.906
  118    HA   SER 415           HA       SER 415  21.332  -1.485  -1.485
  119   1HB   SER 415           HB2      SER 415  19.595  -0.833  -0.833
  120   2HB   SER 415           HB1      SER 415  19.914  -2.518  -2.518
  121    HG   SER 415           HG       SER 415  18.792  -2.323  -2.323
  122    H    GLU 416           HN       GLU 416  21.693  -3.557  -3.557
  123    HA   GLU 416           HA       GLU 416  24.407  -3.628  -3.628
  124   1HB   GLU 416           HB2      GLU 416  24.022  -5.664  -5.664
  125   2HB   GLU 416           HB1      GLU 416  22.754  -5.586  -5.586
  126   1HG   GLU 416           HG2      GLU 416  22.302  -4.711  -4.711
  127   2HG   GLU 416           HG1      GLU 416  22.065  -6.370  -6.370
  128    H    LYS 417           HN       LYS 417  21.781  -2.681  -2.681
  129    HA   LYS 417           HA       LYS 417  21.794  -1.854  -1.854
  130   1HB   LYS 417           HB2      LYS 417  21.547   0.106   0.106
  131   2HB   LYS 417           HB1      LYS 417  23.019  -0.094  -0.094
  132   1HG   LYS 417           HG2      LYS 417  23.922   0.396   0.396
  133   2HG   LYS 417           HG1      LYS 417  22.531   1.456   1.456
  134   1HD   LYS 417           HD2      LYS 417  24.545   2.599   2.599
  135   2HD   LYS 417           HD1      LYS 417  23.455   2.291   2.291
  136   1HE   LYS 417           HE2      LYS 417  25.284   0.056   0.056
  137   2HE   LYS 417           HE1      LYS 417  26.180   1.563   1.563
  138   1HZ   LYS 417           HZ1      LYS 417  24.411   1.896   1.896
  139   2HZ   LYS 417           HZ3      LYS 417  24.421   0.185   0.185
  140   3HZ   LYS 417           HZ2      LYS 417  25.872   1.041   1.041
  141    H    LYS 418           HN       LYS 418  22.928  -3.597  -3.597
  142    HA   LYS 418           HA       LYS 418  25.461  -2.777  -2.777
  143   1HB   LYS 418           HB2      LYS 418  25.449  -4.065  -4.065
  144   2HB   LYS 418           HB1      LYS 418  25.808  -5.368  -5.368
  145   1HG   LYS 418           HG2      LYS 418  27.545  -3.826  -3.826
  146   2HG   LYS 418           HG1      LYS 418  27.316  -2.760  -2.760
  147   1HD   LYS 418           HD2      LYS 418  28.344  -5.614  -5.614
  148   2HD   LYS 418           HD1      LYS 418  29.197  -4.165  -4.165
  149   1HE   LYS 418           HE2      LYS 418  26.736  -5.341  -5.341
  150   2HE   LYS 418           HE1      LYS 418  28.388  -5.495  -5.495
  151   1HZ   LYS 418           HZ2      LYS 418  28.188  -2.828  -2.828
  152   2HZ   LYS 418           HZ1      LYS 418  26.571  -3.211  -3.211
  153   3HZ   LYS 418           HZ3      LYS 418  27.843  -3.658  -3.658
  154    H    THR 419           HN       THR 419  26.351  -5.240  -5.240
  155    HA   THR 419           HA       THR 419  24.153  -5.976  -5.976
  156    HB   THR 419           HB       THR 419  25.857  -6.514  -6.514
  157    HG1  THR 419           HG1      THR 419  27.874  -7.009  -7.009
  158   1HG2  THR 419          HG21      THR 419  25.643  -3.988  -3.988
  159   2HG2  THR 419          HG23      THR 419  27.368  -4.289  -4.289
  160   3HG2  THR 419          HG22      THR 419  26.645  -4.390  -4.390
  161   1HN   NH2 420           HX1      THR 419  23.643  -9.031  -9.031
  162   2HN   NH2 420           HX2      THR 419  23.747  -8.519  -8.519

  Start of MODEL    5
    1   1H    ACE 402           HA1      ACE 402   7.655  -4.209  -4.209
    2   2H    ACE 402           HA2      ACE 402   5.955  -4.532  -4.532
    3   3H    ACE 402           HA3      ACE 402   6.406  -3.459  -3.459
    4    H    GLN 403           HN       GLN 403   4.786  -5.344  -5.344
    5    HA   GLN 403           HA       GLN 403   6.172  -7.782  -7.782
    6   1HB   GLN 403           HB2      GLN 403   3.419  -6.664  -6.664
    7   2HB   GLN 403           HB1      GLN 403   3.986  -7.921  -7.921
    8   1HG   GLN 403           HG2      GLN 403   3.182  -9.338  -9.338
    9   2HG   GLN 403           HG1      GLN 403   4.711  -8.999  -8.999
   10   1HE2  GLN 403          HE22      GLN 403   3.198  -6.962  -6.962
   11   2HE2  GLN 403          HE21      GLN 403   4.668  -7.328  -7.328
   12    H    ALA 404           HN       ALA 404   4.876  -4.901  -4.901
   13    HA   ALA 404           HA       ALA 404   5.457  -4.838  -4.838
   14   1HB   ALA 404           HB3      ALA 404   5.764  -2.649  -2.649
   15   2HB   ALA 404           HB2      ALA 404   5.588  -2.366  -2.366
   16   3HB   ALA 404           HB1      ALA 404   4.255  -3.078  -3.078
   17    H    GLU 405           HN       GLU 405   7.200  -3.729  -3.729
   18    HA   GLU 405           HA       GLU 405   9.865  -4.047  -4.047
   19   1HB   GLU 405           HB2      GLU 405   9.306  -4.606  -4.606
   20   2HB   GLU 405           HB1      GLU 405   9.185  -2.871  -2.871
   21   1HG   GLU 405           HG2      GLU 405  11.411  -3.268  -3.268
   22   2HG   GLU 405           HG1      GLU 405  11.573  -2.805  -2.805
   23    H    ARG 406           HN       ARG 406   7.899  -2.075  -2.075
   24    HA   ARG 406           HA       ARG 406   8.940   0.554   0.554
   25   1HB   ARG 406           HB2      ARG 406   6.422  -0.115  -0.115
   26   2HB   ARG 406           HB1      ARG 406   6.840   0.161   0.161
   27   1HG   ARG 406           HG2      ARG 406   5.995   2.239   2.239
   28   2HG   ARG 406           HG1      ARG 406   7.734   2.404   2.404
   29   1HD   ARG 406           HD2      ARG 406   7.931   1.702   1.702
   30   2HD   ARG 406           HD1      ARG 406   6.191   1.955   1.955
   31    HE   ARG 406           HE       ARG 406   6.667   4.252   4.252
   32   1HH1  ARG 406          HH21      ARG 406   7.384   5.110   5.110
   33   2HH1  ARG 406          HH22      ARG 406   9.079   5.450   5.450
   34   1HH2  ARG 406          HH11      ARG 406   9.617   3.599   3.599
   35   2HH2  ARG 406          HH12      ARG 406  10.352   4.588   4.588
   36    H    MET 407           HN       MET 407   8.530  -1.453  -1.453
   37    HA   MET 407           HA       MET 407  10.103   0.230   0.230
   38   1HB   MET 407           HB2      MET 407   9.032  -1.125  -1.125
   39   2HB   MET 407           HB1      MET 407   8.671  -2.298  -2.298
   40   1HG   MET 407           HG2      MET 407  11.479  -2.480  -2.480
   41   2HG   MET 407           HG1      MET 407  10.468  -2.564  -2.564
   42   1HE   MET 407           HE3      MET 407   9.274  -3.405  -3.405
   43   2HE   MET 407           HE2      MET 407  10.890  -4.073  -4.073
   44   3HE   MET 407           HE1      MET 407   9.500  -5.147  -5.147
   45    H    SER 408           HN       SER 408  10.796  -2.190  -2.190
   46    HA   SER 408           HA       SER 408  13.593  -2.539  -2.539
   47   1HB   SER 408           HB2      SER 408  12.214  -4.300  -4.300
   48   2HB   SER 408           HB1      SER 408  12.154  -3.254  -3.254
   49    HG   SER 408           HG       SER 408  13.865  -4.500  -4.500
   50    H    GLN 409           HN       GLN 409  11.849  -0.128  -0.128
   51    HA   GLN 409           HA       GLN 409  14.146   0.778   0.778
   52   1HB   GLN 409           HB2      GLN 409  11.708   0.411   0.411
   53   2HB   GLN 409           HB1      GLN 409  11.421   1.995   1.995
   54   1HG   GLN 409           HG2      GLN 409  13.144   3.001   3.001
   55   2HG   GLN 409           HG1      GLN 409  13.634   1.423   1.423
   56   1HE2  GLN 409          HE22      GLN 409  11.263   1.554   1.554
   57   2HE2  GLN 409          HE21      GLN 409  12.732   0.932   0.932
   58    H    ILE 410           HN       ILE 410  13.191   1.459   1.459
   59    HA   ILE 410           HA       ILE 410  13.073   4.332   4.332
   60    HB   ILE 410           HB       ILE 410  13.459   2.578   2.578
   61   1HG1  ILE 410          HG12      ILE 410  10.952   3.254   3.254
   62   2HG1  ILE 410          HG11      ILE 410  11.594   1.655   1.655
   63   1HG2  ILE 410          HG23      ILE 410  13.711   5.038   5.038
   64   2HG2  ILE 410          HG22      ILE 410  12.101   5.239   5.239
   65   3HG2  ILE 410          HG21      ILE 410  12.301   4.428   4.428
   66   1HD1  ILE 410          HD12      ILE 410  10.554   3.598   3.598
   67   2HD1  ILE 410          HD11      ILE 410   9.684   2.189   2.189
   68   3HD1  ILE 410          HD13      ILE 410  11.174   1.977   1.977
   69    H    LYS 411           HN       LYS 411  15.214   3.254   3.254
   70    HA   LYS 411           HA       LYS 411  17.342   4.966   4.966
   71   1HB   LYS 411           HB2      LYS 411  16.704   3.739   3.739
   72   2HB   LYS 411           HB1      LYS 411  18.428   3.831   3.831
   73   1HG   LYS 411           HG2      LYS 411  17.795   5.886   5.886
   74   2HG   LYS 411           HG1      LYS 411  18.103   6.264   6.264
   75   1HD   LYS 411           HD2      LYS 411  15.610   5.997   5.997
   76   2HD   LYS 411           HD1      LYS 411  15.406   5.900   5.900
   77   1HE   LYS 411           HE2      LYS 411  17.065   8.176   8.176
   78   2HE   LYS 411           HE1      LYS 411  15.574   8.242   8.242
   79   1HZ   LYS 411           HZ1      LYS 411  15.720   7.855   7.855
   80   2HZ   LYS 411           HZ3      LYS 411  15.345   9.317   9.317
   81   3HZ   LYS 411           HZ2      LYS 411  14.298   7.987   7.987
   82    H    ARG 412           HN       ARG 412  16.969   2.773   2.773
   83    HA   ARG 412           HA       ARG 412  19.070   0.838   0.838
   84   1HB   ARG 412           HB2      ARG 412  16.763   1.146   1.146
   85   2HB   ARG 412           HB1      ARG 412  17.975  -0.092  -0.092
   86   1HG   ARG 412           HG2      ARG 412  16.608  -1.265  -1.265
   87   2HG   ARG 412           HG1      ARG 412  17.566  -0.375  -0.375
   88   1HD   ARG 412           HD2      ARG 412  15.829   1.411   1.411
   89   2HD   ARG 412           HD1      ARG 412  14.854   0.398   0.398
   90    HE   ARG 412           HE       ARG 412  14.145  -0.650  -0.650
   91   1HH1  ARG 412          HH21      ARG 412  16.717  -2.153  -2.153
   92   2HH1  ARG 412          HH22      ARG 412  17.247  -1.710  -1.710
   93   1HH2  ARG 412          HH11      ARG 412  15.080   1.002   1.002
   94   2HH2  ARG 412          HH12      ARG 412  16.307   0.098   0.098
   95    H    LEU 413           HN       LEU 413  19.067   3.857   3.857
   96    HA   LEU 413           HA       LEU 413  20.642   3.377   3.377
   97   1HB   LEU 413           HB2      LEU 413  20.353   6.125   6.125
   98   2HB   LEU 413           HB1      LEU 413  20.369   5.622   5.622
   99    HG   LEU 413           HG       LEU 413  18.067   5.476   5.476
  100   1HD1  LEU 413          HD13      LEU 413  18.613   7.535   7.535
  101   2HD1  LEU 413          HD12      LEU 413  18.070   6.545   6.545
  102   3HD1  LEU 413          HD11      LEU 413  16.961   6.918   6.918
  103   1HD2  LEU 413          HD21      LEU 413  18.605   3.812   3.812
  104   2HD2  LEU 413          HD23      LEU 413  17.629   3.454   3.454
  105   3HD2  LEU 413          HD22      LEU 413  16.980   4.478   4.478
  106    H    LEU 414           HN       LEU 414  21.046   4.822   4.822
  107    HA   LEU 414           HA       LEU 414  23.882   5.339   5.339
  108   1HB   LEU 414           HB2      LEU 414  22.955   6.770   6.770
  109   2HB   LEU 414           HB1      LEU 414  21.716   5.631   5.631
  110    HG   LEU 414           HG       LEU 414  24.421   4.820   4.820
  111   1HD1  LEU 414          HD11      LEU 414  24.600   7.290   7.290
  112   2HD1  LEU 414          HD13      LEU 414  23.160   7.300   7.300
  113   3HD1  LEU 414          HD12      LEU 414  24.630   6.499   6.499
  114   1HD2  LEU 414          HD23      LEU 414  22.122   3.881   3.881
  115   2HD2  LEU 414          HD22      LEU 414  23.208   4.220   4.220
  116   3HD2  LEU 414          HD21      LEU 414  21.901   5.341   5.341
  117    H    SER 415           HN       SER 415  21.915   2.704   2.704
  118    HA   SER 415           HA       SER 415  24.068   1.329   1.329
  119   1HB   SER 415           HB2      SER 415  21.274   0.861   0.861
  120   2HB   SER 415           HB1      SER 415  22.189  -0.619  -0.619
  121    HG   SER 415           HG       SER 415  21.639   0.693   0.693
  122    H    GLU 416           HN       GLU 416  25.198  -0.597  -0.597
  123    HA   GLU 416           HA       GLU 416  25.556  -0.867  -0.867
  124   1HB   GLU 416           HB2      GLU 416  27.878  -1.429  -1.429
  125   2HB   GLU 416           HB1      GLU 416  27.515   0.044   0.044
  126   1HG   GLU 416           HG2      GLU 416  27.280  -2.632  -2.632
  127   2HG   GLU 416           HG1      GLU 416  28.862  -1.884  -1.884
  128    H    LYS 417           HN       LYS 417  23.571  -2.370  -2.370
  129    HA   LYS 417           HA       LYS 417  24.617  -5.129  -5.129
  130   1HB   LYS 417           HB2      LYS 417  22.649  -3.548  -3.548
  131   2HB   LYS 417           HB1      LYS 417  22.149  -5.160  -5.160
  132   1HG   LYS 417           HG2      LYS 417  23.317  -5.588  -5.588
  133   2HG   LYS 417           HG1      LYS 417  24.658  -5.703  -5.703
  134   1HD   LYS 417           HD2      LYS 417  25.304  -4.210  -4.210
  135   2HD   LYS 417           HD1      LYS 417  25.104  -3.260  -3.260
  136   1HE   LYS 417           HE2      LYS 417  22.704  -2.830  -2.830
  137   2HE   LYS 417           HE1      LYS 417  23.173  -3.504  -3.504
  138   1HZ   LYS 417           HZ2      LYS 417  25.066  -1.518  -1.518
  139   2HZ   LYS 417           HZ1      LYS 417  23.469  -0.882  -0.882
  140   3HZ   LYS 417           HZ3      LYS 417  24.193  -1.593  -1.593
  141    H    LYS 418           HN       LYS 418  24.345  -4.412  -4.412
  142    HA   LYS 418           HA       LYS 418  22.209  -6.057  -6.057
  143   1HB   LYS 418           HB2      LYS 418  21.351  -3.498  -3.498
  144   2HB   LYS 418           HB1      LYS 418  21.799  -3.345  -3.345
  145   1HG   LYS 418           HG2      LYS 418  20.391  -5.796  -5.796
  146   2HG   LYS 418           HG1      LYS 418  19.456  -4.576  -4.576
  147   1HD   LYS 418           HD2      LYS 418  18.734  -4.472  -4.472
  148   2HD   LYS 418           HD1      LYS 418  19.763  -3.061  -3.061
  149   1HE   LYS 418           HE2      LYS 418  21.296  -5.417  -5.417
  150   2HE   LYS 418           HE1      LYS 418  20.094  -4.989  -4.989
  151   1HZ   LYS 418           HZ2      LYS 418  21.616  -2.742  -2.742
  152   2HZ   LYS 418           HZ1      LYS 418  22.548  -3.892  -3.892
  153   3HZ   LYS 418           HZ3      LYS 418  21.213  -3.136  -3.136
  154    H    THR 419           HN       THR 419  23.883  -7.029  -7.029
  155    HA   THR 419           HA       THR 419  25.460  -7.375  -7.375
  156    HB   THR 419           HB       THR 419  24.746  -6.718  -6.718
  157    HG1  THR 419           HG1      THR 419  24.680  -4.520  -4.520
  158   1HG2  THR 419          HG22      THR 419  22.417  -6.852  -6.852
  159   2HG2  THR 419          HG21      THR 419  22.173  -6.761  -6.761
  160   3HG2  THR 419          HG23      THR 419  23.049  -8.121  -8.121
  161   1HN   NH2 420           HX1      THR 419  27.806  -4.911  -4.911
  162   2HN   NH2 420           HX2      THR 419  26.461  -5.307  -5.307

  Start of MODEL    6
    1   1H    ACE 402           HA1      ACE 402  11.943  -2.931  -2.931
    2   2H    ACE 402           HA2      ACE 402  10.234  -2.771  -2.771
    3   3H    ACE 402           HA3      ACE 402  11.466  -2.318  -2.318
    4    H    GLN 403           HN       GLN 403   9.339  -4.751  -4.751
    5    HA   GLN 403           HA       GLN 403  10.921  -7.044  -7.044
    6   1HB   GLN 403           HB2      GLN 403   7.957  -6.742  -6.742
    7   2HB   GLN 403           HB1      GLN 403   8.750  -8.268  -8.268
    8   1HG   GLN 403           HG2      GLN 403   9.024  -8.505  -8.505
    9   2HG   GLN 403           HG1      GLN 403  10.295  -7.295  -7.295
   10   1HE2  GLN 403          HE22      GLN 403   7.060  -6.361  -6.361
   11   2HE2  GLN 403          HE21      GLN 403   7.456  -7.951  -7.951
   12    H    ALA 404           HN       ALA 404   8.291  -5.099  -5.099
   13    HA   ALA 404           HA       ALA 404   7.831  -5.983  -5.983
   14   1HB   ALA 404           HB1      ALA 404   6.455  -4.396  -4.396
   15   2HB   ALA 404           HB3      ALA 404   7.599  -3.146  -3.146
   16   3HB   ALA 404           HB2      ALA 404   6.602  -3.901  -3.901
   17    H    GLU 405           HN       GLU 405   8.414  -4.591  -4.591
   18    HA   GLU 405           HA       GLU 405  11.241  -3.776  -3.776
   19   1HB   GLU 405           HB2      GLU 405  10.089  -5.075  -5.075
   20   2HB   GLU 405           HB1      GLU 405   9.457  -3.500  -3.500
   21   1HG   GLU 405           HG2      GLU 405  11.411  -3.412  -3.412
   22   2HG   GLU 405           HG1      GLU 405  12.047  -2.822  -2.822
   23    H    ARG 406           HN       ARG 406   8.883  -2.219  -2.219
   24    HA   ARG 406           HA       ARG 406   9.046   0.379   0.379
   25   1HB   ARG 406           HB2      ARG 406   6.844  -0.554  -0.554
   26   2HB   ARG 406           HB1      ARG 406   7.203  -0.663  -0.663
   27   1HG   ARG 406           HG2      ARG 406   5.876   1.330   1.330
   28   2HG   ARG 406           HG1      ARG 406   7.515   1.802   1.802
   29   1HD   ARG 406           HD2      ARG 406   8.007   2.582   2.582
   30   2HD   ARG 406           HD1      ARG 406   6.940   1.423   1.423
   31    HE   ARG 406           HE       ARG 406   5.805   3.739   3.739
   32   1HH1  ARG 406          HH21      ARG 406   4.093   1.689   1.689
   33   2HH1  ARG 406          HH22      ARG 406   3.709   2.505   2.505
   34   1HH2  ARG 406          HH11      ARG 406   6.236   4.872   4.872
   35   2HH2  ARG 406          HH12      ARG 406   4.943   4.330   4.330
   36    H    MET 407           HN       MET 407   8.821  -0.660  -0.660
   37    HA   MET 407           HA       MET 407  10.189   1.627   1.627
   38   1HB   MET 407           HB2      MET 407   9.676  -1.041  -1.041
   39   2HB   MET 407           HB1      MET 407  10.220   0.404   0.404
   40   1HG   MET 407           HG2      MET 407   8.148   1.332   1.332
   41   2HG   MET 407           HG1      MET 407   7.804   0.820   0.820
   42   1HE   MET 407           HE3      MET 407   7.228  -1.551  -1.551
   43   2HE   MET 407           HE2      MET 407   8.526  -2.301  -2.301
   44   3HE   MET 407           HE1      MET 407   6.881  -2.904  -2.904
   45    H    SER 408           HN       SER 408  11.309  -1.392  -1.392
   46    HA   SER 408           HA       SER 408  14.001  -1.055  -1.055
   47   1HB   SER 408           HB2      SER 408  12.423  -3.253  -3.253
   48   2HB   SER 408           HB1      SER 408  13.639  -3.135  -3.135
   49    HG   SER 408           HG       SER 408  13.858  -3.934  -3.934
   50    H    GLN 409           HN       GLN 409  12.379   0.500   0.500
   51    HA   GLN 409           HA       GLN 409  14.386   0.379   0.379
   52   1HB   GLN 409           HB2      GLN 409  11.926   0.114   0.114
   53   2HB   GLN 409           HB1      GLN 409  11.742   1.809   1.809
   54   1HG   GLN 409           HG2      GLN 409  13.475   2.336   2.336
   55   2HG   GLN 409           HG1      GLN 409  13.420   0.640   0.640
   56   1HE2  GLN 409          HE22      GLN 409   9.911   1.022   1.022
   57   2HE2  GLN 409          HE21      GLN 409  10.764  -0.039  -0.039
   58    H    ILE 410           HN       ILE 410  12.717   2.687   2.687
   59    HA   ILE 410           HA       ILE 410  14.050   5.009   5.009
   60    HB   ILE 410           HB       ILE 410  12.791   4.616   4.616
   61   1HG1  ILE 410          HG12      ILE 410  11.565   5.204   5.204
   62   2HG1  ILE 410          HG11      ILE 410  11.142   3.892   3.892
   63   1HG2  ILE 410          HG23      ILE 410  14.172   6.673   6.673
   64   2HG2  ILE 410          HG22      ILE 410  12.991   7.054   7.054
   65   3HG2  ILE 410          HG21      ILE 410  12.494   6.993   6.993
   66   1HD1  ILE 410          HD11      ILE 410  10.492   5.780   5.780
   67   2HD1  ILE 410          HD13      ILE 410  10.487   6.827   6.827
   68   3HD1  ILE 410          HD12      ILE 410   9.398   5.443   5.443
   69    H    LYS 411           HN       LYS 411  14.630   2.950   2.950
   70    HA   LYS 411           HA       LYS 411  17.162   4.369   4.369
   71   1HB   LYS 411           HB2      LYS 411  15.651   2.212   2.212
   72   2HB   LYS 411           HB1      LYS 411  17.191   2.870   2.870
   73   1HG   LYS 411           HG2      LYS 411  15.977   4.453   4.453
   74   2HG   LYS 411           HG1      LYS 411  15.676   5.144   5.144
   75   1HD   LYS 411           HD2      LYS 411  13.517   4.844   4.844
   76   2HD   LYS 411           HD1      LYS 411  13.712   3.494   3.494
   77   1HE   LYS 411           HE2      LYS 411  14.740   2.334   2.334
   78   2HE   LYS 411           HE1      LYS 411  13.683   3.497   3.497
   79   1HZ   LYS 411           HZ1      LYS 411  12.801   1.614   1.614
   80   2HZ   LYS 411           HZ3      LYS 411  12.597   1.341   1.341
   81   3HZ   LYS 411           HZ2      LYS 411  11.811   2.653   2.653
   82    H    ARG 412           HN       ARG 412  17.056   2.710   2.710
   83    HA   ARG 412           HA       ARG 412  18.478   0.284   0.284
   84   1HB   ARG 412           HB2      ARG 412  17.940   1.985   1.985
   85   2HB   ARG 412           HB1      ARG 412  18.948   0.575   0.575
   86   1HG   ARG 412           HG2      ARG 412  16.945  -0.651  -0.651
   87   2HG   ARG 412           HG1      ARG 412  16.076   0.758   0.758
   88   1HD   ARG 412           HD2      ARG 412  15.787  -0.272  -0.272
   89   2HD   ARG 412           HD1      ARG 412  17.494   0.050   0.050
   90    HE   ARG 412           HE       ARG 412  18.008  -2.238  -2.238
   91   1HH1  ARG 412          HH21      ARG 412  15.098  -2.169  -2.169
   92   2HH1  ARG 412          HH22      ARG 412  14.363  -3.480  -3.480
   93   1HH2  ARG 412          HH11      ARG 412  16.858  -3.589  -3.589
   94   2HH2  ARG 412          HH12      ARG 412  15.351  -4.280  -4.280
   95    H    LEU 413           HN       LEU 413  19.344   3.585   3.585
   96    HA   LEU 413           HA       LEU 413  22.130   3.362   3.362
   97   1HB   LEU 413           HB2      LEU 413  21.272   5.600   5.600
   98   2HB   LEU 413           HB1      LEU 413  22.332   5.641   5.641
   99    HG   LEU 413           HG       LEU 413  19.294   5.574   5.574
  100   1HD1  LEU 413          HD13      LEU 413  21.393   7.575   7.575
  101   2HD1  LEU 413          HD12      LEU 413  19.728   7.678   7.678
  102   3HD1  LEU 413          HD11      LEU 413  20.077   7.782   7.782
  103   1HD2  LEU 413          HD22      LEU 413  21.265   5.043   5.043
  104   2HD2  LEU 413          HD21      LEU 413  19.741   4.227   4.227
  105   3HD2  LEU 413          HD23      LEU 413  19.733   5.839   5.839
  106    H    LEU 414           HN       LEU 414  20.270   3.517   3.517
  107    HA   LEU 414           HA       LEU 414  22.477   3.211   3.211
  108   1HB   LEU 414           HB2      LEU 414  19.687   3.800   3.800
  109   2HB   LEU 414           HB1      LEU 414  19.963   2.371   2.371
  110    HG   LEU 414           HG       LEU 414  20.206   4.390   4.390
  111   1HD1  LEU 414          HD12      LEU 414  22.071   2.329   2.329
  112   2HD1  LEU 414          HD11      LEU 414  23.068   3.783   3.783
  113   3HD1  LEU 414          HD13      LEU 414  21.930   3.517   3.517
  114   1HD2  LEU 414          HD22      LEU 414  21.012   5.662   5.662
  115   2HD2  LEU 414          HD21      LEU 414  21.520   6.206   6.206
  116   3HD2  LEU 414          HD23      LEU 414  22.611   5.237   5.237
  117    H    SER 415           HN       SER 415  20.139   1.058   1.058
  118    HA   SER 415           HA       SER 415  20.669  -1.355  -1.355
  119   1HB   SER 415           HB2      SER 415  19.900  -0.820  -0.820
  120   2HB   SER 415           HB1      SER 415  19.975  -2.445  -2.445
  121    HG   SER 415           HG       SER 415  18.345  -0.267  -0.267
  122    H    GLU 416           HN       GLU 416  22.749  -2.144  -2.144
  123    HA   GLU 416           HA       GLU 416  24.926  -1.535  -1.535
  124   1HB   GLU 416           HB2      GLU 416  26.258  -3.127  -3.127
  125   2HB   GLU 416           HB1      GLU 416  25.365  -1.994  -1.994
  126   1HG   GLU 416           HG2      GLU 416  24.386  -3.712  -3.712
  127   2HG   GLU 416           HG1      GLU 416  23.687  -4.285  -4.285
  128    H    LYS 417           HN       LYS 417  25.148  -2.369  -2.369
  129    HA   LYS 417           HA       LYS 417  25.162  -3.710  -3.710
  130   1HB   LYS 417           HB2      LYS 417  26.784  -4.856  -4.856
  131   2HB   LYS 417           HB1      LYS 417  25.561  -5.598  -5.598
  132   1HG   LYS 417           HG2      LYS 417  25.341  -6.163  -6.163
  133   2HG   LYS 417           HG1      LYS 417  26.775  -6.822  -6.822
  134   1HD   LYS 417           HD2      LYS 417  23.882  -7.409  -7.409
  135   2HD   LYS 417           HD1      LYS 417  25.131  -8.527  -8.527
  136   1HE   LYS 417           HE2      LYS 417  25.281  -9.016  -9.016
  137   2HE   LYS 417           HE1      LYS 417  26.225  -7.530  -7.530
  138   1HZ   LYS 417           HZ3      LYS 417  23.730  -6.535  -6.535
  139   2HZ   LYS 417           HZ2      LYS 417  23.502  -8.060  -8.060
  140   3HZ   LYS 417           HZ1      LYS 417  24.659  -6.969  -6.969
  141    H    LYS 418           HN       LYS 418  23.049  -3.240  -3.240
  142    HA   LYS 418           HA       LYS 418  21.162  -5.449  -5.449
  143   1HB   LYS 418           HB2      LYS 418  21.123  -3.841  -3.841
  144   2HB   LYS 418           HB1      LYS 418  19.886  -3.086  -3.086
  145   1HG   LYS 418           HG2      LYS 418  18.991  -5.487  -5.487
  146   2HG   LYS 418           HG1      LYS 418  19.993  -5.943  -5.943
  147   1HD   LYS 418           HD2      LYS 418  17.756  -5.454  -5.454
  148   2HD   LYS 418           HD1      LYS 418  18.840  -4.177  -4.177
  149   1HE   LYS 418           HE2      LYS 418  18.139  -2.917  -2.917
  150   2HE   LYS 418           HE1      LYS 418  16.823  -4.082  -4.082
  151   1HZ   LYS 418           HZ3      LYS 418  17.403  -2.334  -2.334
  152   2HZ   LYS 418           HZ2      LYS 418  16.169  -2.053  -2.053
  153   3HZ   LYS 418           HZ1      LYS 418  16.091  -3.423  -3.423
  154    H    THR 419           HN       THR 419  21.806  -4.877  -4.877
  155    HA   THR 419           HA       THR 419  21.474  -3.997  -3.997
  156    HB   THR 419           HB       THR 419  19.274  -3.998  -3.998
  157    HG1  THR 419           HG1      THR 419  18.501  -2.181  -2.181
  158   1HG2  THR 419          HG21      THR 419  19.836  -5.949  -5.949
  159   2HG2  THR 419          HG23      THR 419  18.552  -5.186  -5.186
  160   3HG2  THR 419          HG22      THR 419  18.220  -5.786  -5.786
  161   1HN   NH2 420           HX1      THR 419  21.708  -1.231  -1.231
  162   2HN   NH2 420           HX2      THR 419  22.737  -1.118  -1.118

  Start of MODEL    7
    1   1H    ACE 402           HA1      ACE 402  10.020  -4.588  -4.588
    2   2H    ACE 402           HA2      ACE 402  10.784  -5.755  -5.755
    3   3H    ACE 402           HA3      ACE 402   9.116  -5.257  -5.257
    4    H    GLN 403           HN       GLN 403   7.455  -6.202  -6.202
    5    HA   GLN 403           HA       GLN 403   8.100  -8.715  -8.715
    6   1HB   GLN 403           HB2      GLN 403   5.496  -7.268  -7.268
    7   2HB   GLN 403           HB1      GLN 403   5.576  -8.753  -8.753
    8   1HG   GLN 403           HG2      GLN 403   5.168  -9.644  -9.644
    9   2HG   GLN 403           HG1      GLN 403   6.930  -9.629  -9.629
   10   1HE2  GLN 403          HE22      GLN 403   7.104  -7.219  -7.219
   11   2HE2  GLN 403          HE21      GLN 403   7.972  -8.216  -8.216
   12    H    ALA 404           HN       ALA 404   6.689  -5.658  -5.658
   13    HA   ALA 404           HA       ALA 404   6.607  -5.661  -5.661
   14   1HB   ALA 404           HB1      ALA 404   5.407  -4.127  -4.127
   15   2HB   ALA 404           HB3      ALA 404   6.928  -3.247  -3.247
   16   3HB   ALA 404           HB2      ALA 404   6.029  -3.344  -3.344
   17    H    GLU 405           HN       GLU 405   8.236  -4.671  -4.671
   18    HA   GLU 405           HA       GLU 405  10.931  -4.479  -4.479
   19   1HB   GLU 405           HB2      GLU 405  11.721  -4.177  -4.177
   20   2HB   GLU 405           HB1      GLU 405  10.637  -5.562  -5.562
   21   1HG   GLU 405           HG2      GLU 405   9.241  -3.026  -3.026
   22   2HG   GLU 405           HG1      GLU 405  10.411  -3.477  -3.477
   23    H    ARG 406           HN       ARG 406   8.822  -2.527  -2.527
   24    HA   ARG 406           HA       ARG 406   9.667   0.009   0.009
   25   1HB   ARG 406           HB2      ARG 406   7.294  -0.470  -0.470
   26   2HB   ARG 406           HB1      ARG 406   7.307  -0.727  -0.727
   27   1HG   ARG 406           HG2      ARG 406   6.476   1.470   1.470
   28   2HG   ARG 406           HG1      ARG 406   8.169   1.694   1.694
   29   1HD   ARG 406           HD2      ARG 406   8.117   3.077   3.077
   30   2HD   ARG 406           HD1      ARG 406   8.412   1.560   1.560
   31    HE   ARG 406           HE       ARG 406   5.623   1.747   1.747
   32   1HH1  ARG 406          HH21      ARG 406   5.998   4.670   4.670
   33   2HH1  ARG 406          HH22      ARG 406   6.028   4.941   4.941
   34   1HH2  ARG 406          HH11      ARG 406   6.617   1.592   1.592
   35   2HH2  ARG 406          HH12      ARG 406   6.380   3.171   3.171
   36    H    MET 407           HN       MET 407   8.855  -1.126  -1.126
   37    HA   MET 407           HA       MET 407  10.283   0.982   0.982
   38   1HB   MET 407           HB2      MET 407   9.876  -0.145  -0.145
   39   2HB   MET 407           HB1      MET 407   8.438  -0.332  -0.332
   40   1HG   MET 407           HG2      MET 407   9.900  -2.568  -2.568
   41   2HG   MET 407           HG1      MET 407  10.300  -2.379  -2.379
   42   1HE   MET 407           HE1      MET 407   8.253  -3.813  -3.813
   43   2HE   MET 407           HE3      MET 407   6.559  -3.825  -3.825
   44   3HE   MET 407           HE2      MET 407   7.291  -2.341  -2.341
   45    H    SER 408           HN       SER 408  11.263  -2.158  -2.158
   46    HA   SER 408           HA       SER 408  13.887  -2.019  -2.019
   47   1HB   SER 408           HB2      SER 408  12.736  -4.200  -4.200
   48   2HB   SER 408           HB1      SER 408  13.054  -3.811  -3.811
   49    HG   SER 408           HG       SER 408  15.298  -3.746  -3.746
   50    H    GLN 409           HN       GLN 409  12.537  -0.386  -0.386
   51    HA   GLN 409           HA       GLN 409  15.027  -0.120  -0.120
   52   1HB   GLN 409           HB2      GLN 409  12.621  -0.694  -0.694
   53   2HB   GLN 409           HB1      GLN 409  12.443   1.053   1.053
   54   1HG   GLN 409           HG2      GLN 409  13.318   0.760   0.760
   55   2HG   GLN 409           HG1      GLN 409  14.815   0.955   0.955
   56   1HE2  GLN 409          HE22      GLN 409  13.810  -2.899  -2.899
   57   2HE2  GLN 409          HE21      GLN 409  12.555  -1.833  -1.833
   58    H    ILE 410           HN       ILE 410  13.655   1.624   1.624
   59    HA   ILE 410           HA       ILE 410  13.850   4.286   4.286
   60    HB   ILE 410           HB       ILE 410  13.596   3.532   3.532
   61   1HG1  ILE 410          HG12      ILE 410  11.477   3.674   3.674
   62   2HG1  ILE 410          HG11      ILE 410  11.923   2.268   2.268
   63   1HG2  ILE 410          HG22      ILE 410  14.077   5.908   5.908
   64   2HG2  ILE 410          HG21      ILE 410  12.512   5.864   5.864
   65   3HG2  ILE 410          HG23      ILE 410  12.600   5.711   5.711
   66   1HD1  ILE 410          HD11      ILE 410  11.205   3.667   3.667
   67   2HD1  ILE 410          HD13      ILE 410  10.387   4.706   4.706
   68   3HD1  ILE 410          HD12      ILE 410   9.934   3.008   3.008
   69    H    LYS 411           HN       LYS 411  15.359   4.275   4.275
   70    HA   LYS 411           HA       LYS 411  17.835   5.299   5.299
   71   1HB   LYS 411           HB2      LYS 411  17.597   4.633   4.633
   72   2HB   LYS 411           HB1      LYS 411  18.492   5.934   5.934
   73   1HG   LYS 411           HG2      LYS 411  15.485   5.755   5.755
   74   2HG   LYS 411           HG1      LYS 411  16.589   6.912   6.912
   75   1HD   LYS 411           HD2      LYS 411  16.215   6.739   6.739
   76   2HD   LYS 411           HD1      LYS 411  15.177   7.737   7.737
   77   1HE   LYS 411           HE2      LYS 411  16.971   9.131   9.131
   78   2HE   LYS 411           HE1      LYS 411  18.187   7.967   7.967
   79   1HZ   LYS 411           HZ3      LYS 411  16.310   9.347   9.347
   80   2HZ   LYS 411           HZ2      LYS 411  17.880   9.902   9.902
   81   3HZ   LYS 411           HZ1      LYS 411  17.653   8.397   8.397
   82    H    ARG 412           HN       ARG 412  17.623   2.666   2.666
   83    HA   ARG 412           HA       ARG 412  19.409   0.989   0.989
   84   1HB   ARG 412           HB2      ARG 412  17.527   0.636   0.636
   85   2HB   ARG 412           HB1      ARG 412  18.643  -0.613  -0.613
   86   1HG   ARG 412           HG2      ARG 412  16.956  -1.170  -1.170
   87   2HG   ARG 412           HG1      ARG 412  17.728   0.096   0.096
   88   1HD   ARG 412           HD2      ARG 412  16.181   1.745   1.745
   89   2HD   ARG 412           HD1      ARG 412  15.335   0.408   0.408
   90    HE   ARG 412           HE       ARG 412  14.193   0.239   0.239
   91   1HH1  ARG 412          HH21      ARG 412  16.574  -1.011  -1.011
   92   2HH1  ARG 412          HH22      ARG 412  16.822   0.026   0.026
   93   1HH2  ARG 412          HH11      ARG 412  14.814   2.565   2.565
   94   2HH2  ARG 412          HH12      ARG 412  15.810   2.074   2.074
   95    H    LEU 413           HN       LEU 413  19.721   3.247   3.247
   96    HA   LEU 413           HA       LEU 413  21.658   1.960   1.960
   97   1HB   LEU 413           HB2      LEU 413  21.649   4.936   4.936
   98   2HB   LEU 413           HB1      LEU 413  21.771   3.908   3.908
   99    HG   LEU 413           HG       LEU 413  19.245   4.583   4.583
  100   1HD1  LEU 413          HD12      LEU 413  20.396   5.332   5.332
  101   2HD1  LEU 413          HD11      LEU 413  18.645   5.258   5.258
  102   3HD1  LEU 413          HD13      LEU 413  19.595   6.346   6.346
  103   1HD2  LEU 413          HD21      LEU 413  19.454   2.142   2.142
  104   2HD2  LEU 413          HD23      LEU 413  18.019   3.058   3.058
  105   3HD2  LEU 413          HD22      LEU 413  19.337   2.858   2.858
  106    H    LEU 414           HN       LEU 414  21.869   4.328   4.328
  107    HA   LEU 414           HA       LEU 414  24.730   4.512   4.512
  108   1HB   LEU 414           HB2      LEU 414  23.838   6.364   6.364
  109   2HB   LEU 414           HB1      LEU 414  22.373   5.544   5.544
  110    HG   LEU 414           HG       LEU 414  24.664   4.665   4.665
  111   1HD1  LEU 414          HD11      LEU 414  25.295   7.052   7.052
  112   2HD1  LEU 414          HD13      LEU 414  23.821   7.554   7.554
  113   3HD1  LEU 414          HD12      LEU 414  25.093   6.718   6.718
  114   1HD2  LEU 414          HD23      LEU 414  21.938   5.897   5.897
  115   2HD2  LEU 414          HD22      LEU 414  22.376   4.193   4.193
  116   3HD2  LEU 414          HD21      LEU 414  22.999   5.351   5.351
  117    H    SER 415           HN       SER 415  22.349   2.464   2.464
  118    HA   SER 415           HA       SER 415  24.351   1.306   1.306
  119   1HB   SER 415           HB2      SER 415  21.818   1.563   1.563
  120   2HB   SER 415           HB1      SER 415  21.644   0.114   0.114
  121    HG   SER 415           HG       SER 415  22.469  -1.065  -1.065
  122    H    GLU 416           HN       GLU 416  24.383  -1.226  -1.226
  123    HA   GLU 416           HA       GLU 416  25.554  -2.156  -2.156
  124   1HB   GLU 416           HB2      GLU 416  25.862  -4.333  -4.333
  125   2HB   GLU 416           HB1      GLU 416  26.751  -2.899  -2.899
  126   1HG   GLU 416           HG2      GLU 416  25.679  -4.203  -4.203
  127   2HG   GLU 416           HG1      GLU 416  25.277  -2.491  -2.491
  128    H    LYS 417           HN       LYS 417  22.696  -1.729  -1.729
  129    HA   LYS 417           HA       LYS 417  21.928  -4.482  -4.482
  130   1HB   LYS 417           HB2      LYS 417  21.010  -3.498  -3.498
  131   2HB   LYS 417           HB1      LYS 417  19.840  -2.746  -2.746
  132   1HG   LYS 417           HG2      LYS 417  18.713  -4.686  -4.686
  133   2HG   LYS 417           HG1      LYS 417  20.175  -5.511  -5.511
  134   1HD   LYS 417           HD2      LYS 417  19.206  -6.489  -6.489
  135   2HD   LYS 417           HD1      LYS 417  20.865  -5.929  -5.929
  136   1HE   LYS 417           HE2      LYS 417  19.184  -3.700  -3.700
  137   2HE   LYS 417           HE1      LYS 417  18.510  -5.079  -5.079
  138   1HZ   LYS 417           HZ1      LYS 417  21.200  -5.325  -5.325
  139   2HZ   LYS 417           HZ3      LYS 417  20.979  -3.638  -3.638
  140   3HZ   LYS 417           HZ2      LYS 417  20.079  -4.627  -4.627
  141    H    LYS 418           HN       LYS 418  22.578  -3.543  -3.543
  142    HA   LYS 418           HA       LYS 418  20.345  -1.952  -1.952
  143   1HB   LYS 418           HB2      LYS 418  22.670  -0.796  -0.796
  144   2HB   LYS 418           HB1      LYS 418  23.177  -1.832  -1.832
  145   1HG   LYS 418           HG2      LYS 418  20.656  -0.184  -0.184
  146   2HG   LYS 418           HG1      LYS 418  22.225   0.546   0.546
  147   1HD   LYS 418           HD2      LYS 418  21.125  -1.924  -1.924
  148   2HD   LYS 418           HD1      LYS 418  21.157  -0.307  -0.307
  149   1HE   LYS 418           HE2      LYS 418  23.284  -0.575  -0.575
  150   2HE   LYS 418           HE1      LYS 418  23.784  -1.011  -1.011
  151   1HZ   LYS 418           HZ1      LYS 418  22.484  -2.900  -2.900
  152   2HZ   LYS 418           HZ3      LYS 418  24.170  -2.788  -2.788
  153   3HZ   LYS 418           HZ2      LYS 418  23.156  -3.280  -3.280
  154    H    THR 419           HN       THR 419  19.223  -3.489  -3.489
  155    HA   THR 419           HA       THR 419  18.637  -5.307  -5.307
  156    HB   THR 419           HB       THR 419  19.204  -4.983  -4.983
  157    HG1  THR 419           HG1      THR 419  21.408  -5.094  -5.094
  158   1HG2  THR 419          HG21      THR 419  19.334  -2.419  -2.419
  159   2HG2  THR 419          HG23      THR 419  19.405  -2.400  -2.400
  160   3HG2  THR 419          HG22      THR 419  17.994  -3.068  -3.068
  161   1HN   NH2 420           HX1      THR 419  20.785  -7.793  -7.793
  162   2HN   NH2 420           HX2      THR 419  20.736  -6.302  -6.302

  Start of MODEL    8
    1   1H    ACE 402           HA1      ACE 402   8.400  -5.032  -5.032
    2   2H    ACE 402           HA2      ACE 402   9.295  -4.217  -4.217
    3   3H    ACE 402           HA3      ACE 402  10.155  -5.183  -5.183
    4    H    GLN 403           HN       GLN 403   7.104  -6.233  -6.233
    5    HA   GLN 403           HA       GLN 403   8.385  -8.621  -8.621
    6   1HB   GLN 403           HB2      GLN 403   6.234  -9.506  -9.506
    7   2HB   GLN 403           HB1      GLN 403   6.058  -8.547  -8.547
    8   1HG   GLN 403           HG2      GLN 403   5.365  -7.352  -7.352
    9   2HG   GLN 403           HG1      GLN 403   4.226  -8.410  -8.410
   10   1HE2  GLN 403          HE22      GLN 403   3.135  -5.851  -5.851
   11   2HE2  GLN 403          HE21      GLN 403   2.820  -7.356  -7.356
   12    H    ALA 404           HN       ALA 404   6.860  -5.759  -5.759
   13    HA   ALA 404           HA       ALA 404   7.210  -5.963  -5.963
   14   1HB   ALA 404           HB1      ALA 404   5.522  -4.546  -4.546
   15   2HB   ALA 404           HB3      ALA 404   6.870  -3.525  -3.525
   16   3HB   ALA 404           HB2      ALA 404   6.431  -3.640  -3.640
   17    H    GLU 405           HN       GLU 405   8.914  -4.843  -4.843
   18    HA   GLU 405           HA       GLU 405  11.332  -4.215  -4.215
   19   1HB   GLU 405           HB2      GLU 405  10.722  -4.807  -4.807
   20   2HB   GLU 405           HB1      GLU 405  11.898  -3.511  -3.511
   21   1HG   GLU 405           HG2      GLU 405  12.151  -6.108  -6.108
   22   2HG   GLU 405           HG1      GLU 405  12.807  -5.929  -5.929
   23    H    ARG 406           HN       ARG 406   8.916  -2.531  -2.531
   24    HA   ARG 406           HA       ARG 406   9.562   0.033   0.033
   25   1HB   ARG 406           HB2      ARG 406   7.262  -0.779  -0.779
   26   2HB   ARG 406           HB1      ARG 406   7.156  -0.839  -0.839
   27   1HG   ARG 406           HG2      ARG 406   6.109   1.213   1.213
   28   2HG   ARG 406           HG1      ARG 406   7.608   1.606   1.606
   29   1HD   ARG 406           HD2      ARG 406   8.742   2.123   2.123
   30   2HD   ARG 406           HD1      ARG 406   7.603   1.206   1.206
   31    HE   ARG 406           HE       ARG 406   6.447   3.545   3.545
   32   1HH1  ARG 406          HH11      ARG 406   5.164   2.588   2.588
   33   2HH1  ARG 406          HH12      ARG 406   5.760   3.638   3.638
   34   1HH2  ARG 406          HH21      ARG 406   8.445   4.753   4.753
   35   2HH2  ARG 406          HH22      ARG 406   7.644   4.882   4.882
   36    H    MET 407           HN       MET 407   8.624  -1.041  -1.041
   37    HA   MET 407           HA       MET 407   9.763   1.289   1.289
   38   1HB   MET 407           HB2      MET 407   9.274   0.282   0.282
   39   2HB   MET 407           HB1      MET 407   7.920  -0.046  -0.046
   40   1HG   MET 407           HG2      MET 407   9.568  -2.231  -2.231
   41   2HG   MET 407           HG1      MET 407   9.777  -1.916  -1.916
   42   1HE   MET 407           HE2      MET 407   7.894  -3.303  -3.303
   43   2HE   MET 407           HE1      MET 407   6.197  -3.431  -3.431
   44   3HE   MET 407           HE3      MET 407   6.875  -1.862  -1.862
   45    H    SER 408           HN       SER 408  10.948  -1.828  -1.828
   46    HA   SER 408           HA       SER 408  13.478  -1.670  -1.670
   47   1HB   SER 408           HB2      SER 408  12.642  -3.851  -3.851
   48   2HB   SER 408           HB1      SER 408  12.496  -3.333  -3.333
   49    HG   SER 408           HG       SER 408  14.454  -4.046  -4.046
   50    H    GLN 409           HN       GLN 409  12.215  -0.047  -0.047
   51    HA   GLN 409           HA       GLN 409  14.832   0.497   0.497
   52   1HB   GLN 409           HB2      GLN 409  12.595  -0.281  -0.281
   53   2HB   GLN 409           HB1      GLN 409  12.282   1.443   1.443
   54   1HG   GLN 409           HG2      GLN 409  13.434   1.178   1.178
   55   2HG   GLN 409           HG1      GLN 409  14.782   1.533   1.533
   56   1HE2  GLN 409          HE22      GLN 409  14.259  -2.430  -2.430
   57   2HE2  GLN 409          HE21      GLN 409  12.874  -1.454  -1.454
   58    H    ILE 410           HN       ILE 410  13.151   2.024   2.024
   59    HA   ILE 410           HA       ILE 410  13.069   4.719   4.719
   60    HB   ILE 410           HB       ILE 410  12.852   3.854   3.854
   61   1HG1  ILE 410          HG12      ILE 410  10.816   3.857   3.857
   62   2HG1  ILE 410          HG11      ILE 410  11.287   2.512   2.512
   63   1HG2  ILE 410          HG22      ILE 410  13.118   6.292   6.292
   64   2HG2  ILE 410          HG21      ILE 410  11.582   6.141   6.141
   65   3HG2  ILE 410          HG23      ILE 410  11.647   5.904   5.904
   66   1HD1  ILE 410          HD13      ILE 410  10.367   3.792   3.792
   67   2HD1  ILE 410          HD12      ILE 410   9.709   4.962   4.962
   68   3HD1  ILE 410          HD11      ILE 410   9.149   3.291   3.291
   69    H    LYS 411           HN       LYS 411  14.583   4.567   4.567
   70    HA   LYS 411           HA       LYS 411  16.914   6.022   6.022
   71   1HB   LYS 411           HB2      LYS 411  15.705   5.563   5.563
   72   2HB   LYS 411           HB1      LYS 411  17.458   5.736   5.736
   73   1HG   LYS 411           HG2      LYS 411  16.533   7.943   7.943
   74   2HG   LYS 411           HG1      LYS 411  17.153   7.835   7.835
   75   1HD   LYS 411           HD2      LYS 411  14.791   7.181   7.181
   76   2HD   LYS 411           HD1      LYS 411  14.269   7.632   7.632
   77   1HE   LYS 411           HE2      LYS 411  14.856   9.901   9.901
   78   2HE   LYS 411           HE1      LYS 411  15.881   9.537   9.537
   79   1HZ   LYS 411           HZ1      LYS 411  12.925   9.176   9.176
   80   2HZ   LYS 411           HZ3      LYS 411  13.714  10.526  10.526
   81   3HZ   LYS 411           HZ2      LYS 411  13.952   8.990   8.990
   82    H    ARG 412           HN       ARG 412  16.872   3.360   3.360
   83    HA   ARG 412           HA       ARG 412  18.812   1.816   1.816
   84   1HB   ARG 412           HB2      ARG 412  16.892   1.327   1.327
   85   2HB   ARG 412           HB1      ARG 412  18.116   0.162   0.162
   86   1HG   ARG 412           HG2      ARG 412  16.536  -0.513  -0.513
   87   2HG   ARG 412           HG1      ARG 412  17.250   0.819   0.819
   88   1HD   ARG 412           HD2      ARG 412  15.532   2.339   2.339
   89   2HD   ARG 412           HD1      ARG 412  14.789   0.977   0.977
   90    HE   ARG 412           HE       ARG 412  13.658   0.639   0.639
   91   1HH1  ARG 412          HH11      ARG 412  16.074  -0.573  -0.573
   92   2HH1  ARG 412          HH12      ARG 412  16.276   0.399   0.399
   93   1HH2  ARG 412          HH21      ARG 412  14.193   2.933   2.933
   94   2HH2  ARG 412          HH22      ARG 412  15.195   2.409   2.409
   95    H    LEU 413           HN       LEU 413  19.249   4.286   4.286
   96    HA   LEU 413           HA       LEU 413  21.194   3.078   3.078
   97   1HB   LEU 413           HB2      LEU 413  20.820   6.053   6.053
   98   2HB   LEU 413           HB1      LEU 413  21.131   5.053   5.053
   99    HG   LEU 413           HG       LEU 413  18.490   5.500   5.500
  100   1HD1  LEU 413          HD12      LEU 413  19.237   7.067   7.067
  101   2HD1  LEU 413          HD11      LEU 413  19.276   5.702   5.702
  102   3HD1  LEU 413          HD13      LEU 413  17.748   6.207   6.207
  103   1HD2  LEU 413          HD22      LEU 413  19.400   3.162   3.162
  104   2HD2  LEU 413          HD21      LEU 413  18.150   3.264   3.264
  105   3HD2  LEU 413          HD23      LEU 413  17.811   3.815   3.815
  106    H    LEU 414           HN       LEU 414  21.495   3.454   3.454
  107    HA   LEU 414           HA       LEU 414  23.909   5.131   5.131
  108   1HB   LEU 414           HB2      LEU 414  21.706   4.491   4.491
  109   2HB   LEU 414           HB1      LEU 414  23.183   3.967   3.967
  110    HG   LEU 414           HG       LEU 414  22.655   6.286   6.286
  111   1HD1  LEU 414          HD13      LEU 414  25.037   6.072   6.072
  112   2HD1  LEU 414          HD12      LEU 414  24.776   7.380   7.380
  113   3HD1  LEU 414          HD11      LEU 414  25.025   5.734   5.734
  114   1HD2  LEU 414          HD22      LEU 414  21.488   6.616   6.616
  115   2HD2  LEU 414          HD21      LEU 414  22.260   7.994   7.994
  116   3HD2  LEU 414          HD23      LEU 414  23.088   7.145   7.145
  117    H    SER 415           HN       SER 415  22.823   1.803   1.803
  118    HA   SER 415           HA       SER 415  25.618   1.005   1.005
  119   1HB   SER 415           HB2      SER 415  23.485   0.277   0.277
  120   2HB   SER 415           HB1      SER 415  23.270  -0.886  -0.886
  121    HG   SER 415           HG       SER 415  25.504  -0.594  -0.594
  122    H    GLU 416           HN       GLU 416  26.132  -1.390  -1.390
  123    HA   GLU 416           HA       GLU 416  25.929  -1.244  -1.244
  124   1HB   GLU 416           HB2      GLU 416  28.035  -2.365  -2.365
  125   2HB   GLU 416           HB1      GLU 416  28.215  -1.161  -1.161
  126   1HG   GLU 416           HG2      GLU 416  27.473  -4.024  -4.024
  127   2HG   GLU 416           HG1      GLU 416  29.154  -3.558  -3.558
  128    H    LYS 417           HN       LYS 417  23.833  -2.488  -2.488
  129    HA   LYS 417           HA       LYS 417  23.920  -5.298  -5.298
  130   1HB   LYS 417           HB2      LYS 417  23.305  -3.975  -3.975
  131   2HB   LYS 417           HB1      LYS 417  21.943  -4.915  -4.915
  132   1HG   LYS 417           HG2      LYS 417  23.002  -6.713  -6.713
  133   2HG   LYS 417           HG1      LYS 417  24.104  -6.609  -6.609
  134   1HD   LYS 417           HD2      LYS 417  25.331  -6.592  -6.592
  135   2HD   LYS 417           HD1      LYS 417  25.577  -5.100  -5.100
  136   1HE   LYS 417           HE2      LYS 417  23.347  -4.445  -4.445
  137   2HE   LYS 417           HE1      LYS 417  24.142  -5.542  -5.542
  138   1HZ   LYS 417           HZ3      LYS 417  26.071  -3.741  -3.741
  139   2HZ   LYS 417           HZ2      LYS 417  24.755  -2.859  -2.859
  140   3HZ   LYS 417           HZ1      LYS 417  25.613  -3.953  -3.953
  141    H    LYS 418           HN       LYS 418  22.580  -5.568  -5.568
  142    HA   LYS 418           HA       LYS 418  19.899  -4.388  -4.388
  143   1HB   LYS 418           HB2      LYS 418  22.149  -2.907  -2.907
  144   2HB   LYS 418           HB1      LYS 418  21.185  -3.298  -3.298
  145   1HG   LYS 418           HG2      LYS 418  19.250  -2.230  -2.230
  146   2HG   LYS 418           HG1      LYS 418  19.886  -2.229  -2.229
  147   1HD   LYS 418           HD2      LYS 418  20.754  -0.480  -0.480
  148   2HD   LYS 418           HD1      LYS 418  20.135   0.029   0.029
  149   1HE   LYS 418           HE2      LYS 418  22.324  -1.441  -1.441
  150   2HE   LYS 418           HE1      LYS 418  22.878  -0.768  -0.768
  151   1HZ   LYS 418           HZ1      LYS 418  21.617   0.931   0.931
  152   2HZ   LYS 418           HZ3      LYS 418  23.299   0.597   0.597
  153   3HZ   LYS 418           HZ2      LYS 418  22.589   1.412   1.412
  154    H    THR 419           HN       THR 419  19.608  -4.377  -4.377
  155    HA   THR 419           HA       THR 419  19.551  -7.309  -7.309
  156    HB   THR 419           HB       THR 419  17.649  -6.925  -6.925
  157    HG1  THR 419           HG1      THR 419  17.203  -4.970  -4.970
  158   1HG2  THR 419          HG23      THR 419  17.529  -6.122  -6.122
  159   2HG2  THR 419          HG22      THR 419  17.274  -4.543  -4.543
  160   3HG2  THR 419          HG21      THR 419  16.159  -5.865  -5.865
  161   1HN   NH2 420           HX1      THR 419  21.656  -4.976  -4.976
  162   2HN   NH2 420           HX2      THR 419  20.029  -4.521  -4.521

  Start of MODEL    9
    1   1H    ACE 402           HA1      ACE 402  10.052  -3.862  -3.862
    2   2H    ACE 402           HA2      ACE 402  11.101  -3.240  -3.240
    3   3H    ACE 402           HA3      ACE 402  11.777  -4.218  -4.218
    4    H    GLN 403           HN       GLN 403   8.838  -5.573  -5.573
    5    HA   GLN 403           HA       GLN 403  10.045  -7.755  -7.755
    6   1HB   GLN 403           HB2      GLN 403   8.104  -9.001  -9.001
    7   2HB   GLN 403           HB1      GLN 403   8.269  -7.998  -7.998
    8   1HG   GLN 403           HG2      GLN 403   6.533  -7.087  -7.087
    9   2HG   GLN 403           HG1      GLN 403   5.921  -8.234  -8.234
   10   1HE2  GLN 403          HE22      GLN 403   5.445  -5.777  -5.777
   11   2HE2  GLN 403          HE21      GLN 403   5.261  -7.405  -7.405
   12    H    ALA 404           HN       ALA 404   7.887  -5.157  -5.157
   13    HA   ALA 404           HA       ALA 404   7.171  -5.497  -5.497
   14   1HB   ALA 404           HB1      ALA 404   5.885  -4.270  -4.270
   15   2HB   ALA 404           HB3      ALA 404   7.116  -3.018  -3.018
   16   3HB   ALA 404           HB2      ALA 404   6.094  -3.341  -3.341
   17    H    GLU 405           HN       GLU 405   8.020  -3.999  -3.999
   18    HA   GLU 405           HA       GLU 405  10.797  -3.141  -3.141
   19   1HB   GLU 405           HB2      GLU 405   9.408  -3.990  -3.990
   20   2HB   GLU 405           HB1      GLU 405   9.711  -2.274  -2.274
   21   1HG   GLU 405           HG2      GLU 405  11.823  -4.308  -4.308
   22   2HG   GLU 405           HG1      GLU 405  11.580  -3.692  -3.692
   23    H    ARG 406           HN       ARG 406   8.487  -1.819  -1.819
   24    HA   ARG 406           HA       ARG 406   8.436   0.901   0.901
   25   1HB   ARG 406           HB2      ARG 406   6.297  -0.121  -0.121
   26   2HB   ARG 406           HB1      ARG 406   6.866  -0.370  -0.370
   27   1HG   ARG 406           HG2      ARG 406   5.438   1.630   1.630
   28   2HG   ARG 406           HG1      ARG 406   7.093   2.052   2.052
   29   1HD   ARG 406           HD2      ARG 406   6.662   2.050   2.050
   30   2HD   ARG 406           HD1      ARG 406   5.599   3.183   3.183
   31    HE   ARG 406           HE       ARG 406   8.574   3.230   3.230
   32   1HH1  ARG 406          HH21      ARG 406   6.539   4.959   4.959
   33   2HH1  ARG 406          HH22      ARG 406   6.700   6.462   6.462
   34   1HH2  ARG 406          HH11      ARG 406   8.361   5.037   5.037
   35   2HH2  ARG 406          HH12      ARG 406   7.737   6.508   6.508
   36    H    MET 407           HN       MET 407   8.912  -0.669  -0.669
   37    HA   MET 407           HA       MET 407  10.221   1.587   1.587
   38   1HB   MET 407           HB2      MET 407  10.241  -1.340  -1.340
   39   2HB   MET 407           HB1      MET 407  11.000  -0.089  -0.089
   40   1HG   MET 407           HG2      MET 407   8.854  -0.413  -0.413
   41   2HG   MET 407           HG1      MET 407   8.726   1.078   1.078
   42   1HE   MET 407           HE2      MET 407   8.500  -2.731  -2.731
   43   2HE   MET 407           HE1      MET 407   7.300  -3.049  -3.049
   44   3HE   MET 407           HE3      MET 407   8.888  -2.415  -2.415
   45    H    SER 408           HN       SER 408  11.274  -1.075  -1.075
   46    HA   SER 408           HA       SER 408  14.125  -0.599  -0.599
   47   1HB   SER 408           HB2      SER 408  13.363  -2.893  -2.893
   48   2HB   SER 408           HB1      SER 408  12.580  -2.437  -2.437
   49    HG   SER 408           HG       SER 408  14.477  -2.358  -2.358
   50    H    GLN 409           HN       GLN 409  11.857   1.119   1.119
   51    HA   GLN 409           HA       GLN 409  13.500   1.772   1.772
   52   1HB   GLN 409           HB2      GLN 409  11.060   1.255   1.255
   53   2HB   GLN 409           HB1      GLN 409  10.708   2.704   2.704
   54   1HG   GLN 409           HG2      GLN 409  12.580   3.296   3.296
   55   2HG   GLN 409           HG1      GLN 409  11.121   2.537   2.537
   56   1HE2  GLN 409          HE22      GLN 409  10.937   6.345   6.345
   57   2HE2  GLN 409          HE21      GLN 409  12.408   5.493   5.493
   58    H    ILE 410           HN       ILE 410  12.523   3.112   3.112
   59    HA   ILE 410           HA       ILE 410  13.245   5.845   5.845
   60    HB   ILE 410           HB       ILE 410  12.542   4.897   4.897
   61   1HG1  ILE 410          HG12      ILE 410  10.556   5.480   5.480
   62   2HG1  ILE 410          HG11      ILE 410  10.827   3.905   3.905
   63   1HG2  ILE 410          HG22      ILE 410  12.140   7.416   7.416
   64   2HG2  ILE 410          HG21      ILE 410  11.498   7.177   7.177
   65   3HG2  ILE 410          HG23      ILE 410  13.242   7.184   7.184
   66   1HD1  ILE 410          HD12      ILE 410   9.898   6.318   6.318
   67   2HD1  ILE 410          HD11      ILE 410   8.810   5.100   5.100
   68   3HD1  ILE 410          HD13      ILE 410   9.996   4.649   4.649
   69    H    LYS 411           HN       LYS 411  14.241   3.424   3.424
   70    HA   LYS 411           HA       LYS 411  16.771   4.870   4.870
   71   1HB   LYS 411           HB2      LYS 411  15.562   2.410   2.410
   72   2HB   LYS 411           HB1      LYS 411  17.069   3.147   3.147
   73   1HG   LYS 411           HG2      LYS 411  15.767   4.337   4.337
   74   2HG   LYS 411           HG1      LYS 411  15.361   5.306   5.306
   75   1HD   LYS 411           HD2      LYS 411  13.255   4.697   4.697
   76   2HD   LYS 411           HD1      LYS 411  13.494   3.568   3.568
   77   1HE   LYS 411           HE2      LYS 411  14.537   2.725   2.725
   78   2HE   LYS 411           HE1      LYS 411  12.786   2.778   2.778
   79   1HZ   LYS 411           HZ3      LYS 411  13.358   1.494   1.494
   80   2HZ   LYS 411           HZ2      LYS 411  14.739   1.045   1.045
   81   3HZ   LYS 411           HZ1      LYS 411  13.192   0.679   0.679
   82    H    ARG 412           HN       ARG 412  16.382   3.531   3.531
   83    HA   ARG 412           HA       ARG 412  17.810   1.101   1.101
   84   1HB   ARG 412           HB2      ARG 412  18.073   2.851   2.851
   85   2HB   ARG 412           HB1      ARG 412  17.534   1.206   1.206
   86   1HG   ARG 412           HG2      ARG 412  15.365   2.064   2.064
   87   2HG   ARG 412           HG1      ARG 412  15.950   3.665   3.665
   88   1HD   ARG 412           HD2      ARG 412  14.662   2.895   2.895
   89   2HD   ARG 412           HD1      ARG 412  16.358   2.761   2.761
   90    HE   ARG 412           HE       ARG 412  15.146   0.327   0.327
   91   1HH1  ARG 412          HH21      ARG 412  17.558   0.889   0.889
   92   2HH1  ARG 412          HH22      ARG 412  16.976   0.055   0.055
   93   1HH2  ARG 412          HH11      ARG 412  13.728  -0.270  -0.270
   94   2HH2  ARG 412          HH12      ARG 412  14.793  -0.603  -0.603
   95    H    LEU 413           HN       LEU 413  18.767   4.385   4.385
   96    HA   LEU 413           HA       LEU 413  21.499   4.270   4.270
   97   1HB   LEU 413           HB2      LEU 413  20.734   5.970   5.970
   98   2HB   LEU 413           HB1      LEU 413  21.810   6.359   6.359
   99    HG   LEU 413           HG       LEU 413  18.771   6.365   6.365
  100   1HD1  LEU 413          HD11      LEU 413  20.916   8.450   8.450
  101   2HD1  LEU 413          HD13      LEU 413  19.205   8.713   8.713
  102   3HD1  LEU 413          HD12      LEU 413  19.739   8.406   8.406
  103   1HD2  LEU 413          HD22      LEU 413  20.727   6.248   6.248
  104   2HD2  LEU 413          HD21      LEU 413  19.161   5.457   5.457
  105   3HD2  LEU 413          HD23      LEU 413  19.244   7.184   7.184
  106    H    LEU 414           HN       LEU 414  19.856   3.485   3.485
  107    HA   LEU 414           HA       LEU 414  22.247   2.716   2.716
  108   1HB   LEU 414           HB2      LEU 414  19.511   3.420   3.420
  109   2HB   LEU 414           HB1      LEU 414  19.833   1.834   1.834
  110    HG   LEU 414           HG       LEU 414  20.328   3.576   3.576
  111   1HD1  LEU 414          HD11      LEU 414  22.831   2.267   2.267
  112   2HD1  LEU 414          HD13      LEU 414  22.714   3.025   3.025
  113   3HD1  LEU 414          HD12      LEU 414  21.749   1.597   1.597
  114   1HD2  LEU 414          HD23      LEU 414  20.907   5.217   5.217
  115   2HD2  LEU 414          HD22      LEU 414  21.722   5.404   5.404
  116   3HD2  LEU 414          HD21      LEU 414  22.547   4.604   4.604
  117    H    SER 415           HN       SER 415  19.454   1.190   1.190
  118    HA   SER 415           HA       SER 415  20.246  -1.523  -1.523
  119   1HB   SER 415           HB2      SER 415  17.913  -0.414  -0.414
  120   2HB   SER 415           HB1      SER 415  18.468  -1.160  -1.160
  121    HG   SER 415           HG       SER 415  17.504  -2.315  -2.315
  122    H    GLU 416           HN       GLU 416  22.481  -1.513  -1.513
  123    HA   GLU 416           HA       GLU 416  23.087  -1.250  -1.250
  124   1HB   GLU 416           HB2      GLU 416  24.573  -0.765  -0.765
  125   2HB   GLU 416           HB1      GLU 416  25.072  -2.430  -2.430
  126   1HG   GLU 416           HG2      GLU 416  25.101  -0.305  -0.305
  127   2HG   GLU 416           HG1      GLU 416  26.493  -0.637  -0.637
  128    H    LYS 417           HN       LYS 417  21.389  -3.034  -3.034
  129    HA   LYS 417           HA       LYS 417  22.289  -5.788  -5.788
  130   1HB   LYS 417           HB2      LYS 417  19.800  -4.749  -4.749
  131   2HB   LYS 417           HB1      LYS 417  20.012  -5.254  -5.254
  132   1HG   LYS 417           HG2      LYS 417  20.618  -7.119  -7.119
  133   2HG   LYS 417           HG1      LYS 417  18.990  -6.975  -6.975
  134   1HD   LYS 417           HD2      LYS 417  21.429  -7.631  -7.631
  135   2HD   LYS 417           HD1      LYS 417  20.357  -8.849  -8.849
  136   1HE   LYS 417           HE2      LYS 417  18.829  -8.531  -8.531
  137   2HE   LYS 417           HE1      LYS 417  18.832  -6.786  -6.786
  138   1HZ   LYS 417           HZ3      LYS 417  20.915  -6.676  -6.676
  139   2HZ   LYS 417           HZ2      LYS 417  20.769  -8.348  -8.348
  140   3HZ   LYS 417           HZ1      LYS 417  19.594  -7.263  -7.263
  141    H    LYS 418           HN       LYS 418  24.347  -5.102  -5.102
  142    HA   LYS 418           HA       LYS 418  24.322  -6.268  -6.268
  143   1HB   LYS 418           HB2      LYS 418  23.366  -3.845  -3.845
  144   2HB   LYS 418           HB1      LYS 418  25.024  -3.337  -3.337
  145   1HG   LYS 418           HG2      LYS 418  25.342  -5.271  -5.271
  146   2HG   LYS 418           HG1      LYS 418  23.817  -4.512  -4.512
  147   1HD   LYS 418           HD2      LYS 418  25.592  -3.266  -3.266
  148   2HD   LYS 418           HD1      LYS 418  24.955  -2.267  -2.267
  149   1HE   LYS 418           HE2      LYS 418  27.139  -4.069  -4.069
  150   2HE   LYS 418           HE1      LYS 418  27.619  -2.862  -2.862
  151   1HZ   LYS 418           HZ2      LYS 418  26.288  -1.288  -1.288
  152   2HZ   LYS 418           HZ1      LYS 418  26.693  -2.494  -2.494
  153   3HZ   LYS 418           HZ3      LYS 418  27.915  -1.680  -1.680
  154    H    THR 419           HN       THR 419  25.955  -7.538  -7.538
  155    HA   THR 419           HA       THR 419  28.129  -8.148  -8.148
  156    HB   THR 419           HB       THR 419  29.853  -7.341  -7.341
  157    HG1  THR 419           HG1      THR 419  28.578  -4.802  -4.802
  158   1HG2  THR 419          HG23      THR 419  27.937  -8.032  -8.032
  159   2HG2  THR 419          HG22      THR 419  27.406  -6.354  -6.354
  160   3HG2  THR 419          HG21      THR 419  28.947  -6.817  -6.817
  161   1HN   NH2 420           HX1      THR 419  27.222  -6.421  -6.421
  162   2HN   NH2 420           HX2      THR 419  27.321  -4.902  -4.902

  Start of MODEL   10
    1   1H    ACE 402           HA1      ACE 402  11.303  -3.790  -3.790
    2   2H    ACE 402           HA2      ACE 402  12.455  -4.838  -4.838
    3   3H    ACE 402           HA3      ACE 402  10.843  -4.600  -4.600
    4    H    GLN 403           HN       GLN 403   9.117  -5.827  -5.827
    5    HA   GLN 403           HA       GLN 403   9.797  -8.158  -8.158
    6   1HB   GLN 403           HB2      GLN 403   7.239  -7.208  -7.208
    7   2HB   GLN 403           HB1      GLN 403   7.273  -8.605  -8.605
    8   1HG   GLN 403           HG2      GLN 403   8.927  -9.708  -9.708
    9   2HG   GLN 403           HG1      GLN 403   8.934  -8.306  -8.306
   10   1HE2  GLN 403          HE22      GLN 403   5.662  -9.058  -9.058
   11   2HE2  GLN 403          HE21      GLN 403   6.678  -7.749  -7.749
   12    H    ALA 404           HN       ALA 404   7.774  -5.393  -5.393
   13    HA   ALA 404           HA       ALA 404   6.912  -5.382  -5.382
   14   1HB   ALA 404           HB1      ALA 404   6.078  -4.020  -4.020
   15   2HB   ALA 404           HB3      ALA 404   7.409  -2.935  -2.935
   16   3HB   ALA 404           HB2      ALA 404   6.136  -3.171  -3.171
   17    H    GLU 405           HN       GLU 405   7.840  -4.058  -4.058
   18    HA   GLU 405           HA       GLU 405  10.735  -3.531  -3.531
   19   1HB   GLU 405           HB2      GLU 405  10.410  -2.663  -2.663
   20   2HB   GLU 405           HB1      GLU 405  10.306  -4.387  -4.387
   21   1HG   GLU 405           HG2      GLU 405   8.508  -3.548  -3.548
   22   2HG   GLU 405           HG1      GLU 405   7.865  -4.307  -4.307
   23    H    ARG 406           HN       ARG 406   8.785  -1.968  -1.968
   24    HA   ARG 406           HA       ARG 406   8.842   0.729   0.729
   25   1HB   ARG 406           HB2      ARG 406   6.824  -0.686  -0.686
   26   2HB   ARG 406           HB1      ARG 406   7.369   0.100   0.100
   27   1HG   ARG 406           HG2      ARG 406   5.591   1.381   1.381
   28   2HG   ARG 406           HG1      ARG 406   7.087   2.277   2.277
   29   1HD   ARG 406           HD2      ARG 406   6.102   2.572   2.572
   30   2HD   ARG 406           HD1      ARG 406   7.661   1.769   1.769
   31    HE   ARG 406           HE       ARG 406   6.246  -0.419  -0.419
   32   1HH1  ARG 406          HH21      ARG 406   3.733   1.433   1.433
   33   2HH1  ARG 406          HH22      ARG 406   3.281   1.389   1.389
   34   1HH2  ARG 406          HH11      ARG 406   6.334   0.030   0.030
   35   2HH2  ARG 406          HH12      ARG 406   4.773   0.590   0.590
   36    H    MET 407           HN       MET 407   9.051  -0.559  -0.559
   37    HA   MET 407           HA       MET 407  10.478   1.682   1.682
   38   1HB   MET 407           HB2      MET 407  10.660   0.506   0.506
   39   2HB   MET 407           HB1      MET 407   9.113   0.042   0.042
   40   1HG   MET 407           HG2      MET 407  10.795  -1.857  -1.857
   41   2HG   MET 407           HG1      MET 407  11.512  -1.593  -1.593
   42   1HE   MET 407           HE3      MET 407   9.185  -3.318  -3.318
   43   2HE   MET 407           HE2      MET 407   7.705  -3.652  -3.652
   44   3HE   MET 407           HE1      MET 407   8.003  -2.032  -2.032
   45    H    SER 408           HN       SER 408  11.624  -1.206  -1.206
   46    HA   SER 408           HA       SER 408  14.410  -0.647  -0.647
   47   1HB   SER 408           HB2      SER 408  13.438  -3.008  -3.008
   48   2HB   SER 408           HB1      SER 408  13.377  -2.815  -2.815
   49    HG   SER 408           HG       SER 408  15.657  -2.380  -2.380
   50    H    GLN 409           HN       GLN 409  12.431   0.867   0.867
   51    HA   GLN 409           HA       GLN 409  14.102   0.936   0.936
   52   1HB   GLN 409           HB2      GLN 409  11.613   0.497   0.497
   53   2HB   GLN 409           HB1      GLN 409  11.399   2.180   2.180
   54   1HG   GLN 409           HG2      GLN 409  11.294   2.200   2.200
   55   2HG   GLN 409           HG1      GLN 409  12.942   2.718   2.718
   56   1HE2  GLN 409          HE22      GLN 409  12.461  -1.150  -1.150
   57   2HE2  GLN 409          HE21      GLN 409  11.242  -0.480  -0.480
   58    H    ILE 410           HN       ILE 410  12.446   3.082   3.082
   59    HA   ILE 410           HA       ILE 410  13.595   5.518   5.518
   60    HB   ILE 410           HB       ILE 410  12.410   5.046   5.046
   61   1HG1  ILE 410          HG12      ILE 410  11.009   5.491   5.491
   62   2HG1  ILE 410          HG11      ILE 410  10.817   4.106   4.106
   63   1HG2  ILE 410          HG23      ILE 410  13.566   7.224   7.224
   64   2HG2  ILE 410          HG22      ILE 410  12.228   7.444   7.444
   65   3HG2  ILE 410          HG21      ILE 410  11.916   7.365   7.365
   66   1HD1  ILE 410          HD12      ILE 410  10.162   6.108   6.108
   67   2HD1  ILE 410          HD11      ILE 410   9.606   6.805   6.805
   68   3HD1  ILE 410          HD13      ILE 410   8.982   5.245   5.245
   69    H    LYS 411           HN       LYS 411  14.319   3.426   3.426
   70    HA   LYS 411           HA       LYS 411  16.711   5.019   5.019
   71   1HB   LYS 411           HB2      LYS 411  15.380   2.674   2.674
   72   2HB   LYS 411           HB1      LYS 411  16.855   3.425   3.425
   73   1HG   LYS 411           HG2      LYS 411  15.368   4.712   4.712
   74   2HG   LYS 411           HG1      LYS 411  15.312   5.635   5.635
   75   1HD   LYS 411           HD2      LYS 411  13.059   5.285   5.285
   76   2HD   LYS 411           HD1      LYS 411  13.447   3.728   3.728
   77   1HE   LYS 411           HE2      LYS 411  13.529   4.097   4.097
   78   2HE   LYS 411           HE1      LYS 411  12.010   3.752   3.752
   79   1HZ   LYS 411           HZ3      LYS 411  13.246   1.810   1.810
   80   2HZ   LYS 411           HZ2      LYS 411  14.455   2.075   2.075
   81   3HZ   LYS 411           HZ1      LYS 411  12.879   1.669   1.669
   82    H    ARG 412           HN       ARG 412  16.627   3.359   3.359
   83    HA   ARG 412           HA       ARG 412  18.212   1.051   1.051
   84   1HB   ARG 412           HB2      ARG 412  17.520   2.924   2.924
   85   2HB   ARG 412           HB1      ARG 412  18.687   1.664   1.664
   86   1HG   ARG 412           HG2      ARG 412  16.866   0.108   0.108
   87   2HG   ARG 412           HG1      ARG 412  15.823   1.438   1.438
   88   1HD   ARG 412           HD2      ARG 412  15.663   0.584   0.584
   89   2HD   ARG 412           HD1      ARG 412  17.337   1.076   1.076
   90    HE   ARG 412           HE       ARG 412  18.006  -1.209  -1.209
   91   1HH1  ARG 412          HH11      ARG 412  15.124  -1.624  -1.624
   92   2HH1  ARG 412          HH12      ARG 412  14.550  -2.836  -2.836
   93   1HH2  ARG 412          HH21      ARG 412  17.127  -2.310  -2.310
   94   2HH2  ARG 412          HH22      ARG 412  15.703  -3.229  -3.229
   95    H    LEU 413           HN       LEU 413  19.019   4.365   4.365
   96    HA   LEU 413           HA       LEU 413  21.779   4.287   4.287
   97   1HB   LEU 413           HB2      LEU 413  20.836   6.148   6.148
   98   2HB   LEU 413           HB1      LEU 413  21.992   6.457   6.457
   99    HG   LEU 413           HG       LEU 413  18.960   6.387   6.387
  100   1HD1  LEU 413          HD12      LEU 413  21.087   8.457   8.457
  101   2HD1  LEU 413          HD11      LEU 413  19.376   8.649   8.649
  102   3HD1  LEU 413          HD13      LEU 413  19.895   8.517   8.517
  103   1HD2  LEU 413          HD22      LEU 413  21.033   6.298   6.298
  104   2HD2  LEU 413          HD21      LEU 413  19.681   5.197   5.197
  105   3HD2  LEU 413          HD23      LEU 413  19.380   6.855   6.855
  106    H    LEU 414           HN       LEU 414  20.045   3.709   3.709
  107    HA   LEU 414           HA       LEU 414  22.426   3.098   3.098
  108   1HB   LEU 414           HB2      LEU 414  20.891   4.150   4.150
  109   2HB   LEU 414           HB1      LEU 414  19.524   3.556   3.556
  110    HG   LEU 414           HG       LEU 414  20.912   1.379   1.379
  111   1HD1  LEU 414          HD11      LEU 414  19.712   3.604   3.604
  112   2HD1  LEU 414          HD13      LEU 414  20.231   2.029   2.029
  113   3HD1  LEU 414          HD12      LEU 414  21.418   3.161   3.161
  114   1HD2  LEU 414          HD22      LEU 414  18.570   1.583   1.583
  115   2HD2  LEU 414          HD21      LEU 414  18.682   0.732   0.732
  116   3HD2  LEU 414          HD23      LEU 414  18.097   2.396   2.396
  117    H    SER 415           HN       SER 415  19.606   1.367   1.367
  118    HA   SER 415           HA       SER 415  20.526  -1.216  -1.216
  119   1HB   SER 415           HB2      SER 415  18.141  -0.241  -0.241
  120   2HB   SER 415           HB1      SER 415  18.705  -1.332  -1.332
  121    HG   SER 415           HG       SER 415  18.163  -1.869  -1.869
  122    H    GLU 416           HN       GLU 416  22.683  -1.467  -1.467
  123    HA   GLU 416           HA       GLU 416  23.317  -1.272  -1.272
  124   1HB   GLU 416           HB2      GLU 416  25.092  -0.767  -0.767
  125   2HB   GLU 416           HB1      GLU 416  24.908  -2.336  -2.336
  126   1HG   GLU 416           HG2      GLU 416  26.898  -2.106  -2.106
  127   2HG   GLU 416           HG1      GLU 416  25.841  -3.487  -3.487
  128    H    LYS 417           HN       LYS 417  21.690  -2.716  -2.716
  129    HA   LYS 417           HA       LYS 417  22.207  -5.614  -5.614
  130   1HB   LYS 417           HB2      LYS 417  19.885  -4.089  -4.089
  131   2HB   LYS 417           HB1      LYS 417  19.643  -4.908  -4.908
  132   1HG   LYS 417           HG2      LYS 417  19.230  -6.868  -6.868
  133   2HG   LYS 417           HG1      LYS 417  20.737  -6.751  -6.751
  134   1HD   LYS 417           HD2      LYS 417  18.855  -6.794  -6.794
  135   2HD   LYS 417           HD1      LYS 417  19.617  -5.205  -5.205
  136   1HE   LYS 417           HE2      LYS 417  17.854  -4.543  -4.543
  137   2HE   LYS 417           HE1      LYS 417  17.004  -5.998  -5.998
  138   1HZ   LYS 417           HZ1      LYS 417  17.840  -3.771  -3.771
  139   2HZ   LYS 417           HZ3      LYS 417  16.255  -4.002  -4.002
  140   3HZ   LYS 417           HZ2      LYS 417  16.946  -5.161  -5.161
  141    H    LYS 418           HN       LYS 418  23.799  -4.107  -4.107
  142    HA   LYS 418           HA       LYS 418  22.784  -5.178  -5.178
  143   1HB   LYS 418           HB2      LYS 418  22.575  -2.777  -2.777
  144   2HB   LYS 418           HB1      LYS 418  24.220  -2.602  -2.602
  145   1HG   LYS 418           HG2      LYS 418  24.031  -4.134  -4.134
  146   2HG   LYS 418           HG1      LYS 418  23.352  -2.515  -2.515
  147   1HD   LYS 418           HD2      LYS 418  26.164  -3.352  -3.352
  148   2HD   LYS 418           HD1      LYS 418  25.482  -1.857  -1.857
  149   1HE   LYS 418           HE2      LYS 418  26.713  -1.042  -1.042
  150   2HE   LYS 418           HE1      LYS 418  25.192  -1.329  -1.329
  151   1HZ   LYS 418           HZ3      LYS 418  26.868  -3.677  -3.677
  152   2HZ   LYS 418           HZ2      LYS 418  27.643  -2.339  -2.339
  153   3HZ   LYS 418           HZ1      LYS 418  26.140  -2.863  -2.863
  154    H    THR 419           HN       THR 419  24.655  -6.410  -6.410
  155    HA   THR 419           HA       THR 419  26.491  -7.842  -7.842
  156    HB   THR 419           HB       THR 419  27.180  -8.739  -8.739
  157    HG1  THR 419           HG1      THR 419  27.034  -6.132  -6.132
  158   1HG2  THR 419          HG21      THR 419  24.550  -8.179  -8.179
  159   2HG2  THR 419          HG23      THR 419  25.024  -7.269  -7.269
  160   3HG2  THR 419          HG22      THR 419  25.341  -8.998  -8.998
  161   1HN   NH2 420           HX1      THR 419  29.117  -6.003  -6.003
  162   2HN   NH2 420           HX2      THR 419  29.090  -7.509  -7.509

  Start of MODEL   11
    1   1H    ACE 402           HA1      ACE 402  13.335  -1.978  -1.978
    2   2H    ACE 402           HA2      ACE 402  13.535  -2.902  -2.902
    3   3H    ACE 402           HA3      ACE 402  11.968  -2.856  -2.856
    4    H    GLN 403           HN       GLN 403  11.989  -5.196  -5.196
    5    HA   GLN 403           HA       GLN 403  14.025  -6.568  -6.568
    6   1HB   GLN 403           HB2      GLN 403  11.440  -7.440  -7.440
    7   2HB   GLN 403           HB1      GLN 403  12.305  -8.499  -8.499
    8   1HG   GLN 403           HG2      GLN 403  14.254  -8.535  -8.535
    9   2HG   GLN 403           HG1      GLN 403  13.619  -7.244  -7.244
   10   1HE2  GLN 403          HE22      GLN 403  11.442  -9.425  -9.425
   11   2HE2  GLN 403          HE21      GLN 403  11.717  -7.803  -7.803
   12    H    ALA 404           HN       ALA 404  10.709  -5.712  -5.712
   13    HA   ALA 404           HA       ALA 404  10.028  -6.280  -6.280
   14   1HB   ALA 404           HB1      ALA 404   8.536  -5.642  -5.642
   15   2HB   ALA 404           HB3      ALA 404   9.003  -3.980  -3.980
   16   3HB   ALA 404           HB2      ALA 404   8.110  -4.885  -4.885
   17    H    GLU 405           HN       GLU 405   9.827  -4.589  -4.589
   18    HA   GLU 405           HA       GLU 405  12.032  -2.646  -2.646
   19   1HB   GLU 405           HB2      GLU 405  10.166  -3.548  -3.548
   20   2HB   GLU 405           HB1      GLU 405  11.147  -2.100  -2.100
   21   1HG   GLU 405           HG2      GLU 405  12.270  -4.812  -4.812
   22   2HG   GLU 405           HG1      GLU 405  12.242  -4.194  -4.194
   23    H    ARG 406           HN       ARG 406   9.508  -2.378  -2.378
   24    HA   ARG 406           HA       ARG 406   8.356   0.163   0.163
   25   1HB   ARG 406           HB2      ARG 406   6.818  -1.637  -1.637
   26   2HB   ARG 406           HB1      ARG 406   7.512  -1.755  -1.755
   27   1HG   ARG 406           HG2      ARG 406   5.442  -0.468  -0.468
   28   2HG   ARG 406           HG1      ARG 406   6.818   0.574   0.574
   29   1HD   ARG 406           HD2      ARG 406   6.764   1.520   1.520
   30   2HD   ARG 406           HD1      ARG 406   5.602   0.311   0.311
   31    HE   ARG 406           HE       ARG 406   4.585   1.913   1.913
   32   1HH1  ARG 406          HH11      ARG 406   2.722   0.995   0.995
   33   2HH1  ARG 406          HH12      ARG 406   2.459   2.381   2.381
   34   1HH2  ARG 406          HH21      ARG 406   5.306   4.030   4.030
   35   2HH2  ARG 406          HH22      ARG 406   3.942   4.123   4.123
   36    H    MET 407           HN       MET 407   9.253  -1.196  -1.196
   37    HA   MET 407           HA       MET 407   9.811   1.334   1.334
   38   1HB   MET 407           HB2      MET 407  10.581  -1.485  -1.485
   39   2HB   MET 407           HB1      MET 407  10.958  -0.091  -0.091
   40   1HG   MET 407           HG2      MET 407   8.940  -0.929  -0.929
   41   2HG   MET 407           HG1      MET 407   8.441   0.443   0.443
   42   1HE   MET 407           HE1      MET 407   9.194  -3.324  -3.324
   43   2HE   MET 407           HE3      MET 407   8.274  -3.942  -3.942
   44   3HE   MET 407           HE2      MET 407   9.672  -2.906  -2.906
   45    H    SER 408           HN       SER 408  11.758  -1.132  -1.132
   46    HA   SER 408           HA       SER 408  14.311   0.015   0.015
   47   1HB   SER 408           HB2      SER 408  13.310  -2.307  -2.307
   48   2HB   SER 408           HB1      SER 408  13.926  -1.450  -1.450
   49    HG   SER 408           HG       SER 408  15.284  -2.308  -2.308
   50    H    GLN 409           HN       GLN 409  11.827   0.533   0.533
   51    HA   GLN 409           HA       GLN 409  13.202   2.067   2.067
   52   1HB   GLN 409           HB2      GLN 409  10.804   1.281   1.281
   53   2HB   GLN 409           HB1      GLN 409  10.360   2.651   2.651
   54   1HG   GLN 409           HG2      GLN 409  10.065   3.527   3.527
   55   2HG   GLN 409           HG1      GLN 409  11.734   4.000   4.000
   56   1HE2  GLN 409          HE22      GLN 409  11.162   0.743   0.743
   57   2HE2  GLN 409          HE21      GLN 409  10.091   0.967   0.967
   58    H    ILE 410           HN       ILE 410  12.395   2.987   2.987
   59    HA   ILE 410           HA       ILE 410  12.975   5.790   5.790
   60    HB   ILE 410           HB       ILE 410  12.536   4.458   4.458
   61   1HG1  ILE 410          HG12      ILE 410  10.418   5.376   5.376
   62   2HG1  ILE 410          HG11      ILE 410  10.681   3.721   3.721
   63   1HG2  ILE 410          HG23      ILE 410  13.320   6.820   6.820
   64   2HG2  ILE 410          HG22      ILE 410  11.869   7.199   7.199
   65   3HG2  ILE 410          HG21      ILE 410  11.731   6.683   6.683
   66   1HD1  ILE 410          HD13      ILE 410  10.233   4.587   4.587
   67   2HD1  ILE 410          HD12      ILE 410   9.572   6.023   6.023
   68   3HD1  ILE 410          HD11      ILE 410   8.847   4.444   4.444
   69    H    LYS 411           HN       LYS 411  14.265   3.317   3.317
   70    HA   LYS 411           HA       LYS 411  16.840   4.791   4.791
   71   1HB   LYS 411           HB2      LYS 411  15.528   2.729   2.729
   72   2HB   LYS 411           HB1      LYS 411  17.246   3.069   3.069
   73   1HG   LYS 411           HG2      LYS 411  16.483   4.669   4.669
   74   2HG   LYS 411           HG1      LYS 411  16.296   5.605   5.605
   75   1HD   LYS 411           HD2      LYS 411  13.960   5.054   5.054
   76   2HD   LYS 411           HD1      LYS 411  14.095   3.854   3.854
   77   1HE   LYS 411           HE2      LYS 411  15.011   6.016   6.016
   78   2HE   LYS 411           HE1      LYS 411  13.947   6.825   6.825
   79   1HZ   LYS 411           HZ3      LYS 411  12.206   5.147   5.147
   80   2HZ   LYS 411           HZ2      LYS 411  13.237   4.731   4.731
   81   3HZ   LYS 411           HZ1      LYS 411  12.620   6.309   6.309
   82    H    ARG 412           HN       ARG 412  16.156   2.795   2.795
   83    HA   ARG 412           HA       ARG 412  17.814   0.535   0.535
   84   1HB   ARG 412           HB2      ARG 412  16.492   2.046   2.046
   85   2HB   ARG 412           HB1      ARG 412  17.877   1.120   1.120
   86   1HG   ARG 412           HG2      ARG 412  16.885  -0.940  -0.940
   87   2HG   ARG 412           HG1      ARG 412  15.818  -0.116  -0.116
   88   1HD   ARG 412           HD2      ARG 412  14.656  -0.962  -0.962
   89   2HD   ARG 412           HD1      ARG 412  14.493   0.769   0.769
   90    HE   ARG 412           HE       ARG 412  16.648  -0.149  -0.149
   91   1HH1  ARG 412          HH11      ARG 412  15.894   2.685   2.685
   92   2HH1  ARG 412          HH12      ARG 412  14.737   2.819   2.819
   93   1HH2  ARG 412          HH21      ARG 412  14.162  -0.618  -0.618
   94   2HH2  ARG 412          HH22      ARG 412  13.765   0.943   0.943
   95    H    LEU 413           HN       LEU 413  18.627   3.817   3.817
   96    HA   LEU 413           HA       LEU 413  21.169   3.650   3.650
   97   1HB   LEU 413           HB2      LEU 413  20.719   5.659   5.659
   98   2HB   LEU 413           HB1      LEU 413  21.573   5.867   5.867
   99    HG   LEU 413           HG       LEU 413  18.565   5.812   5.812
  100   1HD1  LEU 413          HD13      LEU 413  20.145   7.913   7.913
  101   2HD1  LEU 413          HD12      LEU 413  20.106   7.859   7.859
  102   3HD1  LEU 413          HD11      LEU 413  18.607   8.039   8.039
  103   1HD2  LEU 413          HD22      LEU 413  20.149   5.512   5.512
  104   2HD2  LEU 413          HD21      LEU 413  18.810   4.521   4.521
  105   3HD2  LEU 413          HD23      LEU 413  18.509   6.163   6.163
  106    H    LEU 414           HN       LEU 414  20.172   2.958   2.958
  107    HA   LEU 414           HA       LEU 414  22.938   2.630   2.630
  108   1HB   LEU 414           HB2      LEU 414  20.300   3.229   3.229
  109   2HB   LEU 414           HB1      LEU 414  21.117   1.978   1.978
  110    HG   LEU 414           HG       LEU 414  21.653   4.161   4.161
  111   1HD1  LEU 414          HD12      LEU 414  23.540   2.272   2.272
  112   2HD1  LEU 414          HD11      LEU 414  24.236   3.744   3.744
  113   3HD1  LEU 414          HD13      LEU 414  23.834   3.665   3.665
  114   1HD2  LEU 414          HD23      LEU 414  22.405   4.801   4.801
  115   2HD2  LEU 414          HD22      LEU 414  21.272   5.650   5.650
  116   3HD2  LEU 414          HD21      LEU 414  23.006   5.757   5.757
  117    H    SER 415           HN       SER 415  20.970   0.620   0.620
  118    HA   SER 415           HA       SER 415  21.037  -1.769  -1.769
  119   1HB   SER 415           HB2      SER 415  19.676  -0.970  -0.970
  120   2HB   SER 415           HB1      SER 415  20.556  -2.451  -2.451
  121    HG   SER 415           HG       SER 415  18.439  -1.987  -1.987
  122    H    GLU 416           HN       GLU 416  23.397  -1.692  -1.692
  123    HA   GLU 416           HA       GLU 416  25.419  -1.917  -1.917
  124   1HB   GLU 416           HB2      GLU 416  26.814  -2.973  -2.973
  125   2HB   GLU 416           HB1      GLU 416  25.921  -1.607  -1.607
  126   1HG   GLU 416           HG2      GLU 416  24.858  -2.916  -2.916
  127   2HG   GLU 416           HG1      GLU 416  24.386  -4.077  -4.077
  128    H    LYS 417           HN       LYS 417  23.161  -4.433  -4.433
  129    HA   LYS 417           HA       LYS 417  24.486  -6.332  -6.332
  130   1HB   LYS 417           HB2      LYS 417  24.364  -6.670  -6.670
  131   2HB   LYS 417           HB1      LYS 417  22.802  -7.351  -7.351
  132   1HG   LYS 417           HG2      LYS 417  23.741  -9.232  -9.232
  133   2HG   LYS 417           HG1      LYS 417  24.865  -8.311  -8.311
  134   1HD   LYS 417           HD2      LYS 417  26.116  -9.671  -9.671
  135   2HD   LYS 417           HD1      LYS 417  26.320  -7.961  -7.961
  136   1HE   LYS 417           HE2      LYS 417  24.098  -8.541  -8.541
  137   2HE   LYS 417           HE1      LYS 417  24.958 -10.078 -10.078
  138   1HZ   LYS 417           HZ2      LYS 417  26.117  -7.402  -7.402
  139   2HZ   LYS 417           HZ1      LYS 417  25.633  -8.588  -8.588
  140   3HZ   LYS 417           HZ3      LYS 417  26.940  -8.902  -8.902
  141    H    LYS 418           HN       LYS 418  22.412  -4.416  -4.416
  142    HA   LYS 418           HA       LYS 418  20.509  -6.313  -6.313
  143   1HB   LYS 418           HB2      LYS 418  19.744  -5.153  -5.153
  144   2HB   LYS 418           HB1      LYS 418  18.959  -4.141  -4.141
  145   1HG   LYS 418           HG2      LYS 418  18.357  -6.494  -6.494
  146   2HG   LYS 418           HG1      LYS 418  18.587  -7.066  -7.066
  147   1HD   LYS 418           HD2      LYS 418  16.317  -6.528  -6.528
  148   2HD   LYS 418           HD1      LYS 418  17.028  -5.031  -5.031
  149   1HE   LYS 418           HE2      LYS 418  16.925  -4.038  -4.038
  150   2HE   LYS 418           HE1      LYS 418  16.348  -5.558  -5.558
  151   1HZ   LYS 418           HZ2      LYS 418  14.915  -3.971  -3.971
  152   2HZ   LYS 418           HZ1      LYS 418  14.535  -3.962  -3.962
  153   3HZ   LYS 418           HZ3      LYS 418  14.340  -5.395  -5.395
  154    H    THR 419           HN       THR 419  18.806  -4.959  -4.959
  155    HA   THR 419           HA       THR 419  20.129  -2.567  -2.567
  156    HB   THR 419           HB       THR 419  20.712  -4.087  -4.087
  157    HG1  THR 419           HG1      THR 419  19.398  -3.697  -3.697
  158   1HG2  THR 419          HG21      THR 419  18.238  -5.639  -5.639
  159   2HG2  THR 419          HG23      THR 419  19.163  -6.027  -6.027
  160   3HG2  THR 419          HG22      THR 419  19.926  -6.135  -6.135
  161   1HN   NH2 420           HX1      THR 419  16.810  -3.812  -3.812
  162   2HN   NH2 420           HX2      THR 419  16.198  -3.456  -3.456

  Start of MODEL   12
    1   1H    ACE 402           HA1      ACE 402   7.517  -2.987  -2.987
    2   2H    ACE 402           HA2      ACE 402   9.156  -3.133  -3.133
    3   3H    ACE 402           HA3      ACE 402   8.786  -3.710  -3.710
    4    H    GLN 403           HN       GLN 403   6.151  -4.480  -4.480
    5    HA   GLN 403           HA       GLN 403   6.925  -7.298  -7.298
    6   1HB   GLN 403           HB2      GLN 403   4.398  -5.770  -5.770
    7   2HB   GLN 403           HB1      GLN 403   4.587  -7.461  -7.461
    8   1HG   GLN 403           HG2      GLN 403   4.786  -8.175  -8.175
    9   2HG   GLN 403           HG1      GLN 403   5.051  -6.529  -6.529
   10   1HE2  GLN 403          HE22      GLN 403   1.581  -5.737  -5.737
   11   2HE2  GLN 403          HE21      GLN 403   3.153  -5.104  -5.104
   12    H    ALA 404           HN       ALA 404   5.978  -4.657  -4.657
   13    HA   ALA 404           HA       ALA 404   6.669  -5.674  -5.674
   14   1HB   ALA 404           HB1      ALA 404   5.070  -3.723  -3.723
   15   2HB   ALA 404           HB3      ALA 404   6.543  -2.774  -2.774
   16   3HB   ALA 404           HB2      ALA 404   6.083  -3.446  -3.446
   17    H    GLU 405           HN       GLU 405   8.630  -5.038  -5.038
   18    HA   GLU 405           HA       GLU 405  10.924  -4.349  -4.349
   19   1HB   GLU 405           HB2      GLU 405  10.666  -5.040  -5.040
   20   2HB   GLU 405           HB1      GLU 405  12.201  -4.582  -4.582
   21   1HG   GLU 405           HG2      GLU 405  10.541  -6.777  -6.777
   22   2HG   GLU 405           HG1      GLU 405  11.573  -7.126  -7.126
   23    H    ARG 406           HN       ARG 406   8.699  -2.353  -2.353
   24    HA   ARG 406           HA       ARG 406   9.974  -0.300  -0.300
   25   1HB   ARG 406           HB2      ARG 406   7.701  -0.983  -0.983
   26   2HB   ARG 406           HB1      ARG 406   7.180  -0.509  -0.509
   27   1HG   ARG 406           HG2      ARG 406   6.655   1.257   1.257
   28   2HG   ARG 406           HG1      ARG 406   7.853   1.807   1.807
   29   1HD   ARG 406           HD2      ARG 406   9.072   0.552   0.552
   30   2HD   ARG 406           HD1      ARG 406   8.104   1.968   1.968
   31    HE   ARG 406           HE       ARG 406  10.190   2.146   2.146
   32   1HH1  ARG 406          HH11      ARG 406   8.407   4.418   4.418
   33   2HH1  ARG 406          HH12      ARG 406   9.522   5.274   5.274
   34   1HH2  ARG 406          HH21      ARG 406  11.826   2.648   2.648
   35   2HH2  ARG 406          HH22      ARG 406  11.480   4.263   4.263
   36    H    MET 407           HN       MET 407   8.024  -0.213  -0.213
   37    HA   MET 407           HA       MET 407   8.956   2.309   2.309
   38   1HB   MET 407           HB2      MET 407   7.689   2.044   2.044
   39   2HB   MET 407           HB1      MET 407   6.838   1.050   1.050
   40   1HG   MET 407           HG2      MET 407   8.877  -0.018  -0.018
   41   2HG   MET 407           HG1      MET 407   7.135  -0.065  -0.065
   42   1HE   MET 407           HE2      MET 407   5.592  -0.774  -0.774
   43   2HE   MET 407           HE1      MET 407   6.217  -0.807  -0.807
   44   3HE   MET 407           HE3      MET 407   5.698  -2.303  -2.303
   45    H    SER 408           HN       SER 408  10.137  -0.858  -0.858
   46    HA   SER 408           HA       SER 408  12.095  -0.082  -0.082
   47   1HB   SER 408           HB2      SER 408  11.418  -2.405  -2.405
   48   2HB   SER 408           HB1      SER 408  11.834  -2.546  -2.546
   49    HG   SER 408           HG       SER 408  13.519  -2.347  -2.347
   50    H    GLN 409           HN       GLN 409  12.049  -0.441  -0.441
   51    HA   GLN 409           HA       GLN 409  14.764  -0.180  -0.180
   52   1HB   GLN 409           HB2      GLN 409  12.850  -0.675  -0.675
   53   2HB   GLN 409           HB1      GLN 409  12.531   1.055   1.055
   54   1HG   GLN 409           HG2      GLN 409  14.892   1.453   1.453
   55   2HG   GLN 409           HG1      GLN 409  15.112  -0.293  -0.293
   56   1HE2  GLN 409          HE22      GLN 409  13.679  -0.392  -0.392
   57   2HE2  GLN 409          HE21      GLN 409  14.708  -1.117  -1.117
   58    H    ILE 410           HN       ILE 410  12.579   2.259   2.259
   59    HA   ILE 410           HA       ILE 410  14.218   4.478   4.478
   60    HB   ILE 410           HB       ILE 410  12.127   4.596   4.596
   61   1HG1  ILE 410          HG12      ILE 410  11.676   4.562   4.562
   62   2HG1  ILE 410          HG11      ILE 410  11.110   3.343   3.343
   63   1HG2  ILE 410          HG23      ILE 410  13.097   6.482   6.482
   64   2HG2  ILE 410          HG22      ILE 410  11.847   6.854   6.854
   65   3HG2  ILE 410          HG21      ILE 410  13.507   6.567   6.567
   66   1HD1  ILE 410          HD12      ILE 410  10.265   6.216   6.216
   67   2HD1  ILE 410          HD11      ILE 410   9.416   5.160   5.160
   68   3HD1  ILE 410          HD13      ILE 410   9.480   4.751   4.751
   69    H    LYS 411           HN       LYS 411  14.063   2.452   2.452
   70    HA   LYS 411           HA       LYS 411  15.886   4.193   4.193
   71   1HB   LYS 411           HB2      LYS 411  14.440   1.674   1.674
   72   2HB   LYS 411           HB1      LYS 411  15.541   2.527   2.527
   73   1HG   LYS 411           HG2      LYS 411  13.683   3.670   3.670
   74   2HG   LYS 411           HG1      LYS 411  13.922   4.576   4.576
   75   1HD   LYS 411           HD2      LYS 411  12.475   2.906   2.906
   76   2HD   LYS 411           HD1      LYS 411  12.151   2.140   2.140
   77   1HE   LYS 411           HE2      LYS 411  11.082   4.126   4.126
   78   2HE   LYS 411           HE1      LYS 411  11.603   5.070   5.070
   79   1HZ   LYS 411           HZ2      LYS 411  10.295   3.209   3.209
   80   2HZ   LYS 411           HZ1      LYS 411   9.476   3.049   3.049
   81   3HZ   LYS 411           HZ3      LYS 411   9.475   4.542   4.542
   82    H    ARG 412           HN       ARG 412  16.371   1.719   1.719
   83    HA   ARG 412           HA       ARG 412  18.706   0.640   0.640
   84   1HB   ARG 412           HB2      ARG 412  18.503  -0.193  -0.193
   85   2HB   ARG 412           HB1      ARG 412  18.446  -1.136  -1.136
   86   1HG   ARG 412           HG2      ARG 412  16.017  -0.563  -0.563
   87   2HG   ARG 412           HG1      ARG 412  16.192   0.171   0.171
   88   1HD   ARG 412           HD2      ARG 412  16.375  -1.825  -1.825
   89   2HD   ARG 412           HD1      ARG 412  17.230  -2.589  -2.589
   90    HE   ARG 412           HE       ARG 412  14.600  -2.163  -2.163
   91   1HH1  ARG 412          HH11      ARG 412  15.425  -3.408  -3.408
   92   2HH1  ARG 412          HH12      ARG 412  14.590  -4.908  -4.908
   93   1HH2  ARG 412          HH21      ARG 412  13.794  -4.268  -4.268
   94   2HH2  ARG 412          HH22      ARG 412  13.626  -5.392  -5.392
   95    H    LEU 413           HN       LEU 413  18.540   3.535   3.535
   96    HA   LEU 413           HA       LEU 413  20.237   3.893   3.893
   97   1HB   LEU 413           HB2      LEU 413  20.227   5.828   5.828
   98   2HB   LEU 413           HB1      LEU 413  20.437   6.183   6.183
   99    HG   LEU 413           HG       LEU 413  17.888   5.522   5.522
  100   1HD1  LEU 413          HD11      LEU 413  18.599   7.880   7.880
  101   2HD1  LEU 413          HD13      LEU 413  18.628   7.697   7.697
  102   3HD1  LEU 413          HD12      LEU 413  17.104   7.563   7.563
  103   1HD2  LEU 413          HD23      LEU 413  18.468   5.173   5.173
  104   2HD2  LEU 413          HD22      LEU 413  17.594   4.093   4.093
  105   3HD2  LEU 413          HD21      LEU 413  16.850   5.599   5.599
  106    H    LEU 414           HN       LEU 414  20.981   2.926   2.926
  107    HA   LEU 414           HA       LEU 414  23.784   3.595   3.595
  108   1HB   LEU 414           HB2      LEU 414  21.901   2.106   2.106
  109   2HB   LEU 414           HB1      LEU 414  23.614   1.953   1.953
  110    HG   LEU 414           HG       LEU 414  22.830   3.690   3.690
  111   1HD1  LEU 414          HD13      LEU 414  25.002   4.092   4.092
  112   2HD1  LEU 414          HD12      LEU 414  24.081   5.179   5.179
  113   3HD1  LEU 414          HD11      LEU 414  24.229   5.523   5.523
  114   1HD2  LEU 414          HD21      LEU 414  20.779   4.104   4.104
  115   2HD2  LEU 414          HD23      LEU 414  21.404   5.443   5.443
  116   3HD2  LEU 414          HD22      LEU 414  21.816   5.318   5.318
  117    H    SER 415           HN       SER 415  21.807   0.908   0.908
  118    HA   SER 415           HA       SER 415  23.953  -1.078  -1.078
  119   1HB   SER 415           HB2      SER 415  21.168  -0.956  -0.956
  120   2HB   SER 415           HB1      SER 415  22.179  -1.946  -1.946
  121    HG   SER 415           HG       SER 415  21.786  -2.176  -2.176
  122    H    GLU 416           HN       GLU 416  25.762  -0.039  -0.039
  123    HA   GLU 416           HA       GLU 416  25.613   1.083   1.083
  124   1HB   GLU 416           HB2      GLU 416  27.391   1.708   1.708
  125   2HB   GLU 416           HB1      GLU 416  28.072   0.089   0.089
  126   1HG   GLU 416           HG2      GLU 416  27.619   1.422   1.422
  127   2HG   GLU 416           HG1      GLU 416  28.765   2.277   2.277
  128    H    LYS 417           HN       LYS 417  24.652  -0.543  -0.543
  129    HA   LYS 417           HA       LYS 417  24.467  -2.341  -2.341
  130   1HB   LYS 417           HB2      LYS 417  26.395  -1.314  -1.314
  131   2HB   LYS 417           HB1      LYS 417  27.403  -1.952  -1.952
  132   1HG   LYS 417           HG2      LYS 417  26.457  -4.269  -4.269
  133   2HG   LYS 417           HG1      LYS 417  26.481  -3.239  -3.239
  134   1HD   LYS 417           HD2      LYS 417  28.671  -4.060  -4.060
  135   2HD   LYS 417           HD1      LYS 417  28.816  -2.493  -2.493
  136   1HE   LYS 417           HE2      LYS 417  28.216  -4.919  -4.919
  137   2HE   LYS 417           HE1      LYS 417  29.868  -4.625  -4.625
  138   1HZ   LYS 417           HZ3      LYS 417  29.327  -2.224  -2.224
  139   2HZ   LYS 417           HZ2      LYS 417  28.200  -3.122  -3.122
  140   3HZ   LYS 417           HZ1      LYS 417  29.863  -3.498  -3.498
  141    H    LYS 418           HN       LYS 418  23.444  -3.357  -3.357
  142    HA   LYS 418           HA       LYS 418  24.797  -5.882  -5.882
  143   1HB   LYS 418           HB2      LYS 418  25.324  -3.784  -3.784
  144   2HB   LYS 418           HB1      LYS 418  23.741  -4.169  -4.169
  145   1HG   LYS 418           HG2      LYS 418  25.740  -6.389  -6.389
  146   2HG   LYS 418           HG1      LYS 418  25.874  -5.337  -5.337
  147   1HD   LYS 418           HD2      LYS 418  23.369  -6.851  -6.851
  148   2HD   LYS 418           HD1      LYS 418  24.510  -7.390  -7.390
  149   1HE   LYS 418           HE2      LYS 418  23.356  -6.180  -6.180
  150   2HE   LYS 418           HE1      LYS 418  23.935  -4.733  -4.733
  151   1HZ   LYS 418           HZ2      LYS 418  21.671  -5.953  -5.953
  152   2HZ   LYS 418           HZ1      LYS 418  21.327  -5.470  -5.470
  153   3HZ   LYS 418           HZ3      LYS 418  21.920  -4.322  -4.322
  154    H    THR 419           HN       THR 419  23.274  -7.261  -7.261
  155    HA   THR 419           HA       THR 419  21.205  -8.307  -8.307
  156    HB   THR 419           HB       THR 419  20.240  -8.959  -8.959
  157    HG1  THR 419           HG1      THR 419  19.708  -7.133  -7.133
  158   1HG2  THR 419          HG22      THR 419  23.175  -8.432  -8.432
  159   2HG2  THR 419          HG21      THR 419  22.453  -8.823  -8.823
  160   3HG2  THR 419          HG23      THR 419  22.303  -9.947  -9.947
  161   1HN   NH2 420           HX1      THR 419  20.541  -4.807  -4.807
  162   2HN   NH2 420           HX2      THR 419  19.605  -5.724  -5.724

  Start of MODEL   13
    1   1H    ACE 402           HA1      ACE 402  10.189  -4.997  -4.997
    2   2H    ACE 402           HA2      ACE 402  10.753  -4.021  -4.021
    3   3H    ACE 402           HA3      ACE 402  11.916  -4.834  -4.834
    4    H    GLN 403           HN       GLN 403   8.937  -6.397  -6.397
    5    HA   GLN 403           HA       GLN 403  10.461  -8.526  -8.526
    6   1HB   GLN 403           HB2      GLN 403   8.457  -9.761  -9.761
    7   2HB   GLN 403           HB1      GLN 403   8.331  -8.826  -8.826
    8   1HG   GLN 403           HG2      GLN 403   7.129  -7.773  -7.773
    9   2HG   GLN 403           HG1      GLN 403   6.270  -8.961  -8.961
   10   1HE2  GLN 403          HE22      GLN 403   5.239  -6.597  -6.597
   11   2HE2  GLN 403          HE21      GLN 403   5.121  -8.190  -8.190
   12    H    ALA 404           HN       ALA 404   8.477  -5.880  -5.880
   13    HA   ALA 404           HA       ALA 404   8.346  -6.154  -6.154
   14   1HB   ALA 404           HB1      ALA 404   6.606  -5.076  -5.076
   15   2HB   ALA 404           HB3      ALA 404   7.781  -3.825  -3.825
   16   3HB   ALA 404           HB2      ALA 404   7.193  -3.982  -3.982
   17    H    GLU 405           HN       GLU 405   9.412  -4.556  -4.556
   18    HA   GLU 405           HA       GLU 405  11.957  -3.521  -3.521
   19   1HB   GLU 405           HB2      GLU 405  11.190  -4.407  -4.407
   20   2HB   GLU 405           HB1      GLU 405  11.267  -2.660  -2.660
   21   1HG   GLU 405           HG2      GLU 405  13.488  -4.436  -4.436
   22   2HG   GLU 405           HG1      GLU 405  13.453  -3.669  -3.669
   23    H    ARG 406           HN       ARG 406   9.444  -2.420  -2.420
   24    HA   ARG 406           HA       ARG 406   9.172   0.267   0.267
   25   1HB   ARG 406           HB2      ARG 406   7.386  -1.620  -1.620
   26   2HB   ARG 406           HB1      ARG 406   7.454  -0.370  -0.370
   27   1HG   ARG 406           HG2      ARG 406   5.710   0.206   0.206
   28   2HG   ARG 406           HG1      ARG 406   7.047   1.326   1.326
   29   1HD   ARG 406           HD2      ARG 406   7.240  -1.110  -1.110
   30   2HD   ARG 406           HD1      ARG 406   5.882  -0.060  -0.060
   31    HE   ARG 406           HE       ARG 406   8.129   1.644   1.644
   32   1HH1  ARG 406          HH11      ARG 406   9.903  -0.263  -0.263
   33   2HH1  ARG 406          HH12      ARG 406   9.592  -0.238  -0.238
   34   1HH2  ARG 406          HH21      ARG 406   6.502   1.330   1.330
   35   2HH2  ARG 406          HH22      ARG 406   7.646   0.679   0.679
   36    H    MET 407           HN       MET 407   9.347  -1.225  -1.225
   37    HA   MET 407           HA       MET 407  10.287   1.135   1.135
   38   1HB   MET 407           HB2      MET 407  10.348  -1.777  -1.777
   39   2HB   MET 407           HB1      MET 407  10.843  -0.464  -0.464
   40   1HG   MET 407           HG2      MET 407   8.588  -0.912  -0.912
   41   2HG   MET 407           HG1      MET 407   8.517   0.542   0.542
   42   1HE   MET 407           HE1      MET 407   8.808  -3.209  -3.209
   43   2HE   MET 407           HE3      MET 407   7.625  -3.733  -3.733
   44   3HE   MET 407           HE2      MET 407   9.136  -2.992  -2.992
   45    H    SER 408           HN       SER 408  11.782  -1.461  -1.461
   46    HA   SER 408           HA       SER 408  14.501  -0.781  -0.781
   47   1HB   SER 408           HB2      SER 408  13.899  -3.146  -3.146
   48   2HB   SER 408           HB1      SER 408  13.455  -2.769  -2.769
   49    HG   SER 408           HG       SER 408  15.509  -2.690  -2.690
   50    H    GLN 409           HN       GLN 409  12.414   0.779   0.779
   51    HA   GLN 409           HA       GLN 409  14.243   1.477   1.477
   52   1HB   GLN 409           HB2      GLN 409  11.905   0.850   0.850
   53   2HB   GLN 409           HB1      GLN 409  11.343   2.187   2.187
   54   1HG   GLN 409           HG2      GLN 409  12.472   3.775   3.775
   55   2HG   GLN 409           HG1      GLN 409  13.005   2.418   2.418
   56   1HE2  GLN 409          HE21      GLN 409  11.703   2.588   2.588
   57   2HE2  GLN 409          HE22      GLN 409  10.009   2.691   2.691
   58    H    ILE 410           HN       ILE 410  13.186   2.696   2.696
   59    HA   ILE 410           HA       ILE 410  13.632   5.492   5.492
   60    HB   ILE 410           HB       ILE 410  13.081   4.201   4.201
   61   1HG1  ILE 410          HG12      ILE 410  11.151   5.044   5.044
   62   2HG1  ILE 410          HG11      ILE 410  11.324   3.436   3.436
   63   1HG2  ILE 410          HG23      ILE 410  13.845   6.654   6.654
   64   2HG2  ILE 410          HG22      ILE 410  12.231   6.903   6.903
   65   3HG2  ILE 410          HG21      ILE 410  12.424   6.359   6.359
   66   1HD1  ILE 410          HD12      ILE 410  10.783   5.340   5.340
   67   2HD1  ILE 410          HD11      ILE 410   9.549   5.457   5.457
   68   3HD1  ILE 410          HD13      ILE 410   9.866   3.910   3.910
   69    H    LYS 411           HN       LYS 411  15.008   3.062   3.062
   70    HA   LYS 411           HA       LYS 411  17.429   4.726   4.726
   71   1HB   LYS 411           HB2      LYS 411  16.894   2.017   2.017
   72   2HB   LYS 411           HB1      LYS 411  17.995   3.259   3.259
   73   1HG   LYS 411           HG2      LYS 411  16.331   3.918   3.918
   74   2HG   LYS 411           HG1      LYS 411  15.514   4.546   4.546
   75   1HD   LYS 411           HD2      LYS 411  14.698   2.062   2.062
   76   2HD   LYS 411           HD1      LYS 411  15.089   1.932   1.932
   77   1HE   LYS 411           HE2      LYS 411  13.503   3.580   3.580
   78   2HE   LYS 411           HE1      LYS 411  13.371   4.182   4.182
   79   1HZ   LYS 411           HZ3      LYS 411  12.493   1.881   1.881
   80   2HZ   LYS 411           HZ2      LYS 411  12.335   1.633   1.633
   81   3HZ   LYS 411           HZ1      LYS 411  11.462   2.878   2.878
   82    H    ARG 412           HN       ARG 412  16.966   3.419   3.419
   83    HA   ARG 412           HA       ARG 412  18.631   1.175   1.175
   84   1HB   ARG 412           HB2      ARG 412  18.440   3.175   3.175
   85   2HB   ARG 412           HB1      ARG 412  18.383   1.446   1.446
   86   1HG   ARG 412           HG2      ARG 412  16.116   1.479   1.479
   87   2HG   ARG 412           HG1      ARG 412  16.205   3.227   3.227
   88   1HD   ARG 412           HD2      ARG 412  15.192   2.938   2.938
   89   2HD   ARG 412           HD1      ARG 412  16.858   2.717   2.717
   90    HE   ARG 412           HE       ARG 412  14.837   0.681   0.681
   91   1HH1  ARG 412          HH21      ARG 412  15.972  -0.839  -0.839
   92   2HH1  ARG 412          HH22      ARG 412  17.356  -1.625  -1.625
   93   1HH2  ARG 412          HH11      ARG 412  17.557   0.636   0.636
   94   2HH2  ARG 412          HH12      ARG 412  18.275  -0.764  -0.764
   95    H    LEU 413           HN       LEU 413  19.296   4.527   4.527
   96    HA   LEU 413           HA       LEU 413  21.948   4.701   4.701
   97   1HB   LEU 413           HB2      LEU 413  21.278   6.236   6.236
   98   2HB   LEU 413           HB1      LEU 413  22.143   6.772   6.772
   99    HG   LEU 413           HG       LEU 413  19.131   6.434   6.434
  100   1HD1  LEU 413          HD13      LEU 413  20.379   8.501   8.501
  101   2HD1  LEU 413          HD12      LEU 413  20.689   8.895   8.895
  102   3HD1  LEU 413          HD11      LEU 413  19.031   8.789   8.789
  103   1HD2  LEU 413          HD21      LEU 413  20.736   7.196   7.196
  104   2HD2  LEU 413          HD23      LEU 413  19.848   5.689   5.689
  105   3HD2  LEU 413          HD22      LEU 413  18.977   7.217   7.217
  106    H    LEU 414           HN       LEU 414  20.665   3.647   3.647
  107    HA   LEU 414           HA       LEU 414  23.276   3.046   3.046
  108   1HB   LEU 414           HB2      LEU 414  20.556   3.514   3.514
  109   2HB   LEU 414           HB1      LEU 414  21.207   2.051   2.051
  110    HG   LEU 414           HG       LEU 414  21.689   3.971   3.971
  111   1HD1  LEU 414          HD11      LEU 414  23.397   2.110   2.110
  112   2HD1  LEU 414          HD13      LEU 414  24.265   3.163   3.163
  113   3HD1  LEU 414          HD12      LEU 414  24.050   3.648   3.648
  114   1HD2  LEU 414          HD23      LEU 414  21.757   5.473   5.473
  115   2HD2  LEU 414          HD22      LEU 414  22.639   5.946   5.946
  116   3HD2  LEU 414          HD21      LEU 414  23.489   5.165   5.165
  117    H    SER 415           HN       SER 415  20.441   1.362   1.362
  118    HA   SER 415           HA       SER 415  21.437  -1.295  -1.295
  119   1HB   SER 415           HB2      SER 415  19.023  -0.599  -0.599
  120   2HB   SER 415           HB1      SER 415  19.276  -0.623  -0.623
  121    HG   SER 415           HG       SER 415  19.695  -2.787  -2.787
  122    H    GLU 416           HN       GLU 416  23.596  -0.399  -0.399
  123    HA   GLU 416           HA       GLU 416  23.621  -0.865  -0.865
  124   1HB   GLU 416           HB2      GLU 416  26.214  -0.751  -0.751
  125   2HB   GLU 416           HB1      GLU 416  25.232   0.697   0.697
  126   1HG   GLU 416           HG2      GLU 416  26.948   0.447   0.447
  127   2HG   GLU 416           HG1      GLU 416  25.296   0.648   0.648
  128    H    LYS 417           HN       LYS 417  23.914  -2.963  -2.963
  129    HA   LYS 417           HA       LYS 417  25.062  -5.116  -5.116
  130   1HB   LYS 417           HB2      LYS 417  25.925  -4.244  -4.244
  131   2HB   LYS 417           HB1      LYS 417  24.840  -5.545  -5.545
  132   1HG   LYS 417           HG2      LYS 417  26.955  -5.913  -5.913
  133   2HG   LYS 417           HG1      LYS 417  27.312  -6.168  -6.168
  134   1HD   LYS 417           HD2      LYS 417  25.054  -7.577  -7.577
  135   2HD   LYS 417           HD1      LYS 417  26.664  -8.259  -8.259
  136   1HE   LYS 417           HE2      LYS 417  26.276  -8.882  -8.882
  137   2HE   LYS 417           HE1      LYS 417  25.619  -7.301  -7.301
  138   1HZ   LYS 417           HZ2      LYS 417  23.530  -7.986  -7.986
  139   2HZ   LYS 417           HZ1      LYS 417  24.181  -9.561  -9.561
  140   3HZ   LYS 417           HZ3      LYS 417  23.881  -8.896  -8.896
  141    H    LYS 418           HN       LYS 418  22.320  -4.280  -4.280
  142    HA   LYS 418           HA       LYS 418  20.858  -6.743  -6.743
  143   1HB   LYS 418           HB2      LYS 418  21.084  -5.754  -5.754
  144   2HB   LYS 418           HB1      LYS 418  19.797  -4.689  -4.689
  145   1HG   LYS 418           HG2      LYS 418  18.878  -7.138  -7.138
  146   2HG   LYS 418           HG1      LYS 418  19.701  -7.557  -7.557
  147   1HD   LYS 418           HD2      LYS 418  17.443  -6.995  -6.995
  148   2HD   LYS 418           HD1      LYS 418  18.444  -5.628  -5.628
  149   1HE   LYS 418           HE2      LYS 418  17.708  -5.165  -5.165
  150   2HE   LYS 418           HE1      LYS 418  16.246  -5.678  -5.678
  151   1HZ   LYS 418           HZ1      LYS 418  16.742  -3.976  -3.976
  152   2HZ   LYS 418           HZ3      LYS 418  18.049  -3.420  -3.420
  153   3HZ   LYS 418           HZ2      LYS 418  16.443  -3.314  -3.314
  154    H    THR 419           HN       THR 419  20.366  -6.102  -6.102
  155    HA   THR 419           HA       THR 419  19.111  -5.112  -5.112
  156    HB   THR 419           HB       THR 419  16.896  -4.542  -4.542
  157    HG1  THR 419           HG1      THR 419  17.744  -3.522  -3.522
  158   1HG2  THR 419          HG22      THR 419  17.874  -6.681  -6.681
  159   2HG2  THR 419          HG21      THR 419  17.121  -5.762  -5.762
  160   3HG2  THR 419          HG23      THR 419  16.163  -6.267  -6.267
  161   1HN   NH2 420           HX1      THR 419  20.698  -2.464  -2.464
  162   2HN   NH2 420           HX2      THR 419  21.410  -2.604  -2.604

  Start of MODEL   14
    1   1H    ACE 402           HA1      ACE 402   7.739  -2.057  -2.057
    2   2H    ACE 402           HA2      ACE 402   9.443  -2.057  -2.057
    3   3H    ACE 402           HA3      ACE 402   8.221  -2.509  -2.509
    4    H    GLN 403           HN       GLN 403   6.624  -4.200  -4.200
    5    HA   GLN 403           HA       GLN 403   8.279  -6.598  -6.598
    6   1HB   GLN 403           HB2      GLN 403   6.309  -7.848  -7.848
    7   2HB   GLN 403           HB1      GLN 403   5.824  -6.450  -6.450
    8   1HG   GLN 403           HG2      GLN 403   5.419  -6.489  -6.489
    9   2HG   GLN 403           HG1      GLN 403   4.274  -7.284  -7.284
   10   1HE2  GLN 403          HE22      GLN 403   2.725  -4.253  -4.253
   11   2HE2  GLN 403          HE21      GLN 403   2.654  -5.948  -5.948
   12    H    ALA 404           HN       ALA 404   6.665  -4.469  -4.469
   13    HA   ALA 404           HA       ALA 404   7.216  -5.663  -5.663
   14   1HB   ALA 404           HB1      ALA 404   5.486  -3.854  -3.854
   15   2HB   ALA 404           HB3      ALA 404   6.835  -2.729  -2.729
   16   3HB   ALA 404           HB2      ALA 404   6.398  -3.523  -3.523
   17    H    GLU 405           HN       GLU 405   8.811  -4.630  -4.630
   18    HA   GLU 405           HA       GLU 405  11.320  -3.883  -3.883
   19   1HB   GLU 405           HB2      GLU 405  10.732  -5.178  -5.178
   20   2HB   GLU 405           HB1      GLU 405  11.317  -3.593  -3.593
   21   1HG   GLU 405           HG2      GLU 405  12.767  -5.443  -5.443
   22   2HG   GLU 405           HG1      GLU 405  13.158  -5.256  -5.256
   23    H    ARG 406           HN       ARG 406   8.777  -2.096  -2.096
   24    HA   ARG 406           HA       ARG 406   9.748   0.263   0.263
   25   1HB   ARG 406           HB2      ARG 406   7.533  -0.558  -0.558
   26   2HB   ARG 406           HB1      ARG 406   7.056  -0.408  -0.408
   27   1HG   ARG 406           HG2      ARG 406   6.211   1.531   1.531
   28   2HG   ARG 406           HG1      ARG 406   7.602   2.057   2.057
   29   1HD   ARG 406           HD2      ARG 406   8.158   3.041   3.041
   30   2HD   ARG 406           HD1      ARG 406   8.881   1.457   1.457
   31    HE   ARG 406           HE       ARG 406   6.252   2.345   2.345
   32   1HH1  ARG 406          HH21      ARG 406   5.739  -0.312  -0.312
   33   2HH1  ARG 406          HH22      ARG 406   6.683  -0.965  -0.965
   34   1HH2  ARG 406          HH11      ARG 406   8.856   1.753   1.753
   35   2HH2  ARG 406          HH12      ARG 406   8.473   0.218   0.218
   36    H    MET 407           HN       MET 407   7.887  -0.114  -0.114
   37    HA   MET 407           HA       MET 407   8.693   2.303   2.303
   38   1HB   MET 407           HB2      MET 407   7.673  -0.223  -0.223
   39   2HB   MET 407           HB1      MET 407   7.825   1.322   1.322
   40   1HG   MET 407           HG2      MET 407   5.991   2.209   2.209
   41   2HG   MET 407           HG1      MET 407   6.335   1.414   1.414
   42   1HE   MET 407           HE3      MET 407   6.007  -0.932  -0.932
   43   2HE   MET 407           HE2      MET 407   6.683  -1.674  -1.674
   44   3HE   MET 407           HE1      MET 407   5.074  -2.131  -2.131
   45    H    SER 408           HN       SER 408   9.955  -0.908  -0.908
   46    HA   SER 408           HA       SER 408  11.960  -0.295  -0.295
   47   1HB   SER 408           HB2      SER 408  11.202  -2.632  -2.632
   48   2HB   SER 408           HB1      SER 408  11.989  -2.527  -2.527
   49    HG   SER 408           HG       SER 408  13.083  -2.776  -2.776
   50    H    GLN 409           HN       GLN 409  11.887  -0.285  -0.285
   51    HA   GLN 409           HA       GLN 409  14.584   0.158   0.158
   52   1HB   GLN 409           HB2      GLN 409  12.630  -0.201  -0.201
   53   2HB   GLN 409           HB1      GLN 409  12.320   1.520   1.520
   54   1HG   GLN 409           HG2      GLN 409  14.578   2.037   2.037
   55   2HG   GLN 409           HG1      GLN 409  14.959   0.318   0.318
   56   1HE2  GLN 409          HE22      GLN 409  12.810  -0.164  -0.164
   57   2HE2  GLN 409          HE21      GLN 409  13.272  -0.974  -0.974
   58    H    ILE 410           HN       ILE 410  12.343   2.380   2.380
   59    HA   ILE 410           HA       ILE 410  13.900   4.726   4.726
   60    HB   ILE 410           HB       ILE 410  11.866   4.548   4.548
   61   1HG1  ILE 410          HG12      ILE 410  11.291   4.781   4.781
   62   2HG1  ILE 410          HG11      ILE 410  10.816   3.438   3.438
   63   1HG2  ILE 410          HG22      ILE 410  13.243   6.591   6.591
   64   2HG2  ILE 410          HG21      ILE 410  12.556   6.684   6.684
   65   3HG2  ILE 410          HG23      ILE 410  11.513   6.868   6.868
   66   1HD1  ILE 410          HD12      ILE 410   9.397   4.979   4.979
   67   2HD1  ILE 410          HD11      ILE 410   9.814   6.294   6.294
   68   3HD1  ILE 410          HD13      ILE 410   8.892   4.908   4.908
   69    H    LYS 411           HN       LYS 411  13.915   2.333   2.333
   70    HA   LYS 411           HA       LYS 411  15.656   3.871   3.871
   71   1HB   LYS 411           HB2      LYS 411  14.033   1.406   1.406
   72   2HB   LYS 411           HB1      LYS 411  15.420   1.613   1.613
   73   1HG   LYS 411           HG2      LYS 411  13.500   2.551   2.551
   74   2HG   LYS 411           HG1      LYS 411  14.518   3.893   3.893
   75   1HD   LYS 411           HD2      LYS 411  12.797   4.752   4.752
   76   2HD   LYS 411           HD1      LYS 411  12.728   3.289   3.289
   77   1HE   LYS 411           HE2      LYS 411  11.433   2.290   2.290
   78   2HE   LYS 411           HE1      LYS 411  11.165   3.981   3.981
   79   1HZ   LYS 411           HZ3      LYS 411  10.521   2.799   2.799
   80   2HZ   LYS 411           HZ2      LYS 411   9.388   3.027   3.027
   81   3HZ   LYS 411           HZ1      LYS 411  10.147   4.370   4.370
   82    H    ARG 412           HN       ARG 412  15.956   1.345   1.345
   83    HA   ARG 412           HA       ARG 412  18.499   0.446   0.446
   84   1HB   ARG 412           HB2      ARG 412  18.206  -0.587  -0.587
   85   2HB   ARG 412           HB1      ARG 412  17.969  -1.411  -1.411
   86   1HG   ARG 412           HG2      ARG 412  15.645  -0.742  -0.742
   87   2HG   ARG 412           HG1      ARG 412  15.919   0.048   0.048
   88   1HD   ARG 412           HD2      ARG 412  15.378  -1.929  -1.929
   89   2HD   ARG 412           HD1      ARG 412  16.937  -2.513  -2.513
   90    HE   ARG 412           HE       ARG 412  14.609  -2.726  -2.726
   91   1HH1  ARG 412          HH11      ARG 412  16.422  -4.397  -4.397
   92   2HH1  ARG 412          HH12      ARG 412  16.352  -5.901  -5.901
   93   1HH2  ARG 412          HH21      ARG 412  14.701  -4.522  -4.522
   94   2HH2  ARG 412          HH22      ARG 412  15.362  -5.979  -5.979
   95    H    LEU 413           HN       LEU 413  18.068   3.304   3.304
   96    HA   LEU 413           HA       LEU 413  19.534   3.632   3.632
   97   1HB   LEU 413           HB2      LEU 413  19.804   5.627   5.627
   98   2HB   LEU 413           HB1      LEU 413  19.774   5.935   5.935
   99    HG   LEU 413           HG       LEU 413  17.454   5.267   5.267
  100   1HD1  LEU 413          HD13      LEU 413  18.322   7.577   7.577
  101   2HD1  LEU 413          HD12      LEU 413  16.596   7.306   7.306
  102   3HD1  LEU 413          HD11      LEU 413  17.650   7.569   7.569
  103   1HD2  LEU 413          HD23      LEU 413  17.576   5.099   5.099
  104   2HD2  LEU 413          HD22      LEU 413  17.061   3.844   3.844
  105   3HD2  LEU 413          HD21      LEU 413  16.066   5.277   5.277
  106    H    LEU 414           HN       LEU 414  20.635   3.233   3.233
  107    HA   LEU 414           HA       LEU 414  23.392   3.721   3.721
  108   1HB   LEU 414           HB2      LEU 414  23.575   2.847   2.847
  109   2HB   LEU 414           HB1      LEU 414  22.126   3.799   3.799
  110    HG   LEU 414           HG       LEU 414  21.173   1.320   1.320
  111   1HD1  LEU 414          HD11      LEU 414  23.473   0.425   0.425
  112   2HD1  LEU 414          HD13      LEU 414  23.293   0.904   0.904
  113   3HD1  LEU 414          HD12      LEU 414  22.223  -0.317  -0.317
  114   1HD2  LEU 414          HD21      LEU 414  21.504   2.500   2.500
  115   2HD2  LEU 414          HD23      LEU 414  20.162   2.795   2.795
  116   3HD2  LEU 414          HD22      LEU 414  20.394   1.192   1.192
  117    H    SER 415           HN       SER 415  21.528   1.083   1.083
  118    HA   SER 415           HA       SER 415  23.509  -1.013  -1.013
  119   1HB   SER 415           HB2      SER 415  21.223  -0.688  -0.688
  120   2HB   SER 415           HB1      SER 415  22.122  -2.181  -2.181
  121    HG   SER 415           HG       SER 415  20.380  -0.825  -0.825
  122    H    GLU 416           HN       GLU 416  25.487   0.070   0.070
  123    HA   GLU 416           HA       GLU 416  25.811   1.233   1.233
  124   1HB   GLU 416           HB2      GLU 416  27.402   1.614   1.614
  125   2HB   GLU 416           HB1      GLU 416  27.912  -0.068  -0.068
  126   1HG   GLU 416           HG2      GLU 416  28.131   0.947   0.947
  127   2HG   GLU 416           HG1      GLU 416  28.785   2.204   2.204
  128    H    LYS 417           HN       LYS 417  26.607  -2.050  -2.050
  129    HA   LYS 417           HA       LYS 417  26.357  -3.094  -3.094
  130   1HB   LYS 417           HB2      LYS 417  28.772  -2.553  -2.553
  131   2HB   LYS 417           HB1      LYS 417  28.558  -4.108  -4.108
  132   1HG   LYS 417           HG2      LYS 417  28.766  -5.261  -5.261
  133   2HG   LYS 417           HG1      LYS 417  27.821  -4.080  -4.080
  134   1HD   LYS 417           HD2      LYS 417  30.129  -4.054  -4.054
  135   2HD   LYS 417           HD1      LYS 417  29.775  -2.537  -2.537
  136   1HE   LYS 417           HE2      LYS 417  30.704  -4.166  -4.166
  137   2HE   LYS 417           HE1      LYS 417  31.727  -4.614  -4.614
  138   1HZ   LYS 417           HZ1      LYS 417  31.227  -1.801  -1.801
  139   2HZ   LYS 417           HZ3      LYS 417  32.606  -2.721  -2.721
  140   3HZ   LYS 417           HZ2      LYS 417  32.320  -2.320  -2.320
  141    H    LYS 418           HN       LYS 418  24.234  -3.721  -3.721
  142    HA   LYS 418           HA       LYS 418  24.515  -6.301  -6.301
  143   1HB   LYS 418           HB2      LYS 418  23.577  -3.976  -3.976
  144   2HB   LYS 418           HB1      LYS 418  22.082  -4.736  -4.736
  145   1HG   LYS 418           HG2      LYS 418  22.745  -6.836  -6.836
  146   2HG   LYS 418           HG1      LYS 418  24.218  -6.039  -6.039
  147   1HD   LYS 418           HD2      LYS 418  22.612  -5.906  -5.906
  148   2HD   LYS 418           HD1      LYS 418  22.776  -4.292  -4.292
  149   1HE   LYS 418           HE2      LYS 418  20.750  -5.335  -5.335
  150   2HE   LYS 418           HE1      LYS 418  20.444  -6.104  -6.104
  151   1HZ   LYS 418           HZ1      LYS 418  20.585  -3.859  -3.859
  152   2HZ   LYS 418           HZ3      LYS 418  20.687  -3.171  -3.171
  153   3HZ   LYS 418           HZ2      LYS 418  19.289  -4.030  -4.030
  154    H    THR 419           HN       THR 419  21.804  -7.018  -7.018
  155    HA   THR 419           HA       THR 419  20.593  -6.842  -6.842
  156    HB   THR 419           HB       THR 419  22.359  -8.348  -8.348
  157    HG1  THR 419           HG1      THR 419  21.151  -9.971  -9.971
  158   1HG2  THR 419          HG21      THR 419  21.708  -9.752  -9.752
  159   2HG2  THR 419          HG23      THR 419  22.715 -10.479 -10.479
  160   3HG2  THR 419          HG22      THR 419  23.226  -8.988  -8.988
  161   1HN   NH2 420           HX1      THR 419  17.754  -8.426  -8.426
  162   2HN   NH2 420           HX2      THR 419  18.765  -9.034  -9.034

  Start of MODEL   15
    1   1H    ACE 402           HA1      ACE 402  13.951  -3.178  -3.178
    2   2H    ACE 402           HA2      ACE 402  12.599  -2.464  -2.464
    3   3H    ACE 402           HA3      ACE 402  14.214  -2.412  -2.412
    4    H    GLN 403           HN       GLN 403  11.917  -4.862  -4.862
    5    HA   GLN 403           HA       GLN 403  12.877  -6.879  -6.879
    6   1HB   GLN 403           HB2      GLN 403  12.059  -7.532  -7.532
    7   2HB   GLN 403           HB1      GLN 403  10.450  -6.980  -6.980
    8   1HG   GLN 403           HG2      GLN 403  10.284  -8.643  -8.643
    9   2HG   GLN 403           HG1      GLN 403  11.991  -9.063  -9.063
   10   1HE2  GLN 403          HE22      GLN 403  11.491 -11.137 -11.137
   11   2HE2  GLN 403          HE21      GLN 403  12.654 -10.305 -10.305
   12    H    ALA 404           HN       ALA 404  10.085  -5.006  -5.006
   13    HA   ALA 404           HA       ALA 404   8.494  -5.541  -5.541
   14   1HB   ALA 404           HB1      ALA 404   7.922  -4.431  -4.431
   15   2HB   ALA 404           HB3      ALA 404   8.446  -2.948  -2.948
   16   3HB   ALA 404           HB2      ALA 404   7.092  -3.848  -3.848
   17    H    GLU 405           HN       GLU 405   8.022  -3.683  -3.683
   18    HA   GLU 405           HA       GLU 405  10.542  -2.469  -2.469
   19   1HB   GLU 405           HB2      GLU 405   9.457  -2.045  -2.045
   20   2HB   GLU 405           HB1      GLU 405   8.639  -3.499  -3.499
   21   1HG   GLU 405           HG2      GLU 405   7.608  -0.644  -0.644
   22   2HG   GLU 405           HG1      GLU 405   6.915  -2.037  -2.037
   23    H    ARG 406           HN       ARG 406   8.780  -1.648  -1.648
   24    HA   ARG 406           HA       ARG 406   8.386   1.200   1.200
   25   1HB   ARG 406           HB2      ARG 406   6.594  -0.353  -0.353
   26   2HB   ARG 406           HB1      ARG 406   7.500  -0.345  -0.345
   27   1HG   ARG 406           HG2      ARG 406   5.653   1.324   1.324
   28   2HG   ARG 406           HG1      ARG 406   7.241   2.014   2.014
   29   1HD   ARG 406           HD2      ARG 406   5.528   3.127   3.127
   30   2HD   ARG 406           HD1      ARG 406   7.256   3.132   3.132
   31    HE   ARG 406           HE       ARG 406   5.842   0.817   0.817
   32   1HH1  ARG 406          HH21      ARG 406   8.007   1.345   1.345
   33   2HH1  ARG 406          HH22      ARG 406   7.523   2.525   2.525
   34   1HH2  ARG 406          HH11      ARG 406   4.693   3.497   3.497
   35   2HH2  ARG 406          HH12      ARG 406   5.612   3.739   3.739
   36    H    MET 407           HN       MET 407   9.578  -0.720  -0.720
   37    HA   MET 407           HA       MET 407  11.117   1.434   1.434
   38   1HB   MET 407           HB2      MET 407  11.295  -1.542  -1.542
   39   2HB   MET 407           HB1      MET 407  12.247  -0.377  -0.377
   40   1HG   MET 407           HG2      MET 407  10.377  -0.795  -0.795
   41   2HG   MET 407           HG1      MET 407   9.999   0.734   0.734
   42   1HE   MET 407           HE3      MET 407   9.939  -3.015  -3.015
   43   2HE   MET 407           HE2      MET 407   8.424  -3.396  -3.396
   44   3HE   MET 407           HE1      MET 407   9.740  -2.664  -2.664
   45    H    SER 408           HN       SER 408  11.775  -1.144  -1.144
   46    HA   SER 408           HA       SER 408  14.598  -0.678  -0.678
   47   1HB   SER 408           HB2      SER 408  12.987  -2.745  -2.745
   48   2HB   SER 408           HB1      SER 408  13.140  -1.927  -1.927
   49    HG   SER 408           HG       SER 408  15.073  -3.215  -3.215
   50    H    GLN 409           HN       GLN 409  12.017   1.202   1.202
   51    HA   GLN 409           HA       GLN 409  13.267   2.283   2.283
   52   1HB   GLN 409           HB2      GLN 409  10.759   1.787   1.787
   53   2HB   GLN 409           HB1      GLN 409  10.638   3.139   3.139
   54   1HG   GLN 409           HG2      GLN 409  11.781   4.567   4.567
   55   2HG   GLN 409           HG1      GLN 409  11.555   3.212   3.212
   56   1HE2  GLN 409          HE22      GLN 409   8.262   5.348   5.348
   57   2HE2  GLN 409          HE21      GLN 409   9.685   5.454   5.454
   58    H    ILE 410           HN       ILE 410  12.661   3.089   3.089
   59    HA   ILE 410           HA       ILE 410  13.696   5.805   5.805
   60    HB   ILE 410           HB       ILE 410  12.988   4.652   4.652
   61   1HG1  ILE 410          HG12      ILE 410  10.916   5.562   5.562
   62   2HG1  ILE 410          HG11      ILE 410  11.110   3.910   3.910
   63   1HG2  ILE 410          HG22      ILE 410  13.876   6.927   6.927
   64   2HG2  ILE 410          HG21      ILE 410  12.522   7.311   7.311
   65   3HG2  ILE 410          HG23      ILE 410  12.231   6.951   6.951
   66   1HD1  ILE 410          HD11      ILE 410  10.698   4.791   4.791
   67   2HD1  ILE 410          HD13      ILE 410  10.194   6.304   6.304
   68   3HD1  ILE 410          HD12      ILE 410   9.307   4.816   4.816
   69    H    LYS 411           HN       LYS 411  14.333   2.895   2.895
   70    HA   LYS 411           HA       LYS 411  17.075   3.804   3.804
   71   1HB   LYS 411           HB2      LYS 411  15.176   1.807   1.807
   72   2HB   LYS 411           HB1      LYS 411  16.876   1.357   1.357
   73   1HG   LYS 411           HG2      LYS 411  16.347   2.530   2.530
   74   2HG   LYS 411           HG1      LYS 411  17.330   3.613   3.613
   75   1HD   LYS 411           HD2      LYS 411  15.250   4.710   4.710
   76   2HD   LYS 411           HD1      LYS 411  14.303   3.666   3.666
   77   1HE   LYS 411           HE2      LYS 411  16.434   4.929   4.929
   78   2HE   LYS 411           HE1      LYS 411  15.482   6.150   6.150
   79   1HZ   LYS 411           HZ3      LYS 411  14.335   3.993   3.993
   80   2HZ   LYS 411           HZ2      LYS 411  14.586   5.594   5.594
   81   3HZ   LYS 411           HZ1      LYS 411  13.477   5.261   5.261
   82    H    ARG 412           HN       ARG 412  16.332   2.934   2.934
   83    HA   ARG 412           HA       ARG 412  17.356   0.425   0.425
   84   1HB   ARG 412           HB2      ARG 412  18.050   2.167   2.167
   85   2HB   ARG 412           HB1      ARG 412  16.794   0.968   0.968
   86   1HG   ARG 412           HG2      ARG 412  15.278   2.569   2.569
   87   2HG   ARG 412           HG1      ARG 412  16.547   3.790   3.790
   88   1HD   ARG 412           HD2      ARG 412  16.629   3.005   3.005
   89   2HD   ARG 412           HD1      ARG 412  14.930   2.682   2.682
   90    HE   ARG 412           HE       ARG 412  14.786   5.098   5.098
   91   1HH1  ARG 412          HH21      ARG 412  17.516   5.997   5.997
   92   2HH1  ARG 412          HH22      ARG 412  17.742   6.686   6.686
   93   1HH2  ARG 412          HH11      ARG 412  14.952   5.104   5.104
   94   2HH2  ARG 412          HH12      ARG 412  16.272   6.173   6.173
   95    H    LEU 413           HN       LEU 413  18.952   3.330   3.330
   96    HA   LEU 413           HA       LEU 413  21.552   2.930   2.930
   97   1HB   LEU 413           HB2      LEU 413  21.215   4.114   4.114
   98   2HB   LEU 413           HB1      LEU 413  22.308   4.611   4.611
   99    HG   LEU 413           HG       LEU 413  19.306   5.149   5.149
  100   1HD1  LEU 413          HD11      LEU 413  21.826   6.761   6.761
  101   2HD1  LEU 413          HD13      LEU 413  20.375   7.532   7.532
  102   3HD1  LEU 413          HD12      LEU 413  20.358   6.825   6.825
  103   1HD2  LEU 413          HD23      LEU 413  21.208   5.693   5.693
  104   2HD2  LEU 413          HD22      LEU 413  19.821   4.606   4.606
  105   3HD2  LEU 413          HD21      LEU 413  19.575   6.342   6.342
  106    H    LEU 414           HN       LEU 414  20.011   1.703   1.703
  107    HA   LEU 414           HA       LEU 414  22.344   0.090   0.090
  108   1HB   LEU 414           HB2      LEU 414  21.455   1.206   1.206
  109   2HB   LEU 414           HB1      LEU 414  19.812   1.093   1.093
  110    HG   LEU 414           HG       LEU 414  21.022  -1.525  -1.525
  111   1HD1  LEU 414          HD11      LEU 414  21.956   0.116   0.116
  112   2HD1  LEU 414          HD13      LEU 414  20.291   0.235   0.235
  113   3HD1  LEU 414          HD12      LEU 414  21.119  -1.324  -1.324
  114   1HD2  LEU 414          HD21      LEU 414  18.651  -1.081  -1.081
  115   2HD2  LEU 414          HD23      LEU 414  18.792  -1.823  -1.823
  116   3HD2  LEU 414          HD22      LEU 414  18.485  -0.092  -0.092
  117    H    SER 415           HN       SER 415  19.039  -0.228  -0.228
  118    HA   SER 415           HA       SER 415  18.928  -3.118  -3.118
  119   1HB   SER 415           HB2      SER 415  17.028  -1.266  -1.266
  120   2HB   SER 415           HB1      SER 415  17.083  -1.781  -1.781
  121    HG   SER 415           HG       SER 415  16.594  -3.369  -3.369
  122    H    GLU 416           HN       GLU 416  19.023  -1.147  -1.147
  123    HA   GLU 416           HA       GLU 416  19.630  -3.456  -3.456
  124   1HB   GLU 416           HB2      GLU 416  18.118  -1.545  -1.545
  125   2HB   GLU 416           HB1      GLU 416  19.562  -0.537  -0.537
  126   1HG   GLU 416           HG2      GLU 416  20.528  -2.315  -2.315
  127   2HG   GLU 416           HG1      GLU 416  18.909  -3.022  -3.022
  128    H    LYS 417           HN       LYS 417  21.341  -0.438  -0.438
  129    HA   LYS 417           HA       LYS 417  23.786  -1.332  -1.332
  130   1HB   LYS 417           HB2      LYS 417  22.889   1.133   1.133
  131   2HB   LYS 417           HB1      LYS 417  23.745   0.992   0.992
  132   1HG   LYS 417           HG2      LYS 417  25.210   0.121   0.121
  133   2HG   LYS 417           HG1      LYS 417  24.952   1.852   1.852
  134   1HD   LYS 417           HD2      LYS 417  26.230   0.031   0.031
  135   2HD   LYS 417           HD1      LYS 417  27.107   1.114   1.114
  136   1HE   LYS 417           HE2      LYS 417  26.906   2.640   2.640
  137   2HE   LYS 417           HE1      LYS 417  25.243   2.817   2.817
  138   1HZ   LYS 417           HZ3      LYS 417  25.269   0.577   0.577
  139   2HZ   LYS 417           HZ2      LYS 417  26.194   1.773   1.773
  140   3HZ   LYS 417           HZ1      LYS 417  24.590   2.105   2.105
  141    H    LYS 418           HN       LYS 418  23.644  -3.385  -3.385
  142    HA   LYS 418           HA       LYS 418  25.632  -3.264  -3.264
  143   1HB   LYS 418           HB2      LYS 418  23.161  -2.560  -2.560
  144   2HB   LYS 418           HB1      LYS 418  23.048  -4.308  -4.308
  145   1HG   LYS 418           HG2      LYS 418  25.515  -3.900  -3.900
  146   2HG   LYS 418           HG1      LYS 418  24.761  -2.352  -2.352
  147   1HD   LYS 418           HD2      LYS 418  24.355  -3.871  -3.871
  148   2HD   LYS 418           HD1      LYS 418  22.832  -3.581  -3.581
  149   1HE   LYS 418           HE2      LYS 418  22.791  -5.898  -5.898
  150   2HE   LYS 418           HE1      LYS 418  23.489  -5.730  -5.730
  151   1HZ   LYS 418           HZ2      LYS 418  25.697  -5.631  -5.631
  152   2HZ   LYS 418           HZ1      LYS 418  24.721  -6.627  -6.627
  153   3HZ   LYS 418           HZ3      LYS 418  25.067  -7.086  -7.086
  154    H    THR 419           HN       THR 419  25.616  -5.538  -5.538
  155    HA   THR 419           HA       THR 419  25.716  -7.548  -7.548
  156    HB   THR 419           HB       THR 419  27.183  -8.774  -8.774
  157    HG1  THR 419           HG1      THR 419  27.318  -8.374  -8.374
  158   1HG2  THR 419          HG21      THR 419  27.914  -6.447  -6.447
  159   2HG2  THR 419          HG23      THR 419  27.827  -5.919  -5.919
  160   3HG2  THR 419          HG22      THR 419  28.932  -7.212  -7.212
  161   1HN   NH2 420           HX1      THR 419  23.781 -10.021 -10.021
  162   2HN   NH2 420           HX2      THR 419  23.316  -8.764  -8.764

  Start of MODEL   16
    1   1H    ACE 402           HA1      ACE 402   6.645  -3.477  -3.477
    2   2H    ACE 402           HA2      ACE 402   4.999  -3.310  -3.310
    3   3H    ACE 402           HA3      ACE 402   6.352  -2.693  -2.693
    4    H    GLN 403           HN       GLN 403   4.279  -4.719  -4.719
    5    HA   GLN 403           HA       GLN 403   5.714  -7.267  -7.267
    6   1HB   GLN 403           HB2      GLN 403   3.249  -7.270  -7.270
    7   2HB   GLN 403           HB1      GLN 403   3.128  -6.345  -6.345
    8   1HG   GLN 403           HG2      GLN 403   4.241  -8.211  -8.211
    9   2HG   GLN 403           HG1      GLN 403   4.288  -9.141  -9.141
   10   1HE2  GLN 403          HE22      GLN 403   0.767  -9.848  -9.848
   11   2HE2  GLN 403          HE21      GLN 403   2.109  -9.729  -9.729
   12    H    ALA 404           HN       ALA 404   4.556  -4.715  -4.715
   13    HA   ALA 404           HA       ALA 404   5.484  -5.162  -5.162
   14   1HB   ALA 404           HB3      ALA 404   5.413  -2.602  -2.602
   15   2HB   ALA 404           HB2      ALA 404   5.467  -2.663  -2.663
   16   3HB   ALA 404           HB1      ALA 404   4.048  -3.274  -3.274
   17    H    GLU 405           HN       GLU 405   7.361  -4.236  -4.236
   18    HA   GLU 405           HA       GLU 405   9.817  -4.144  -4.144
   19   1HB   GLU 405           HB2      GLU 405   9.607  -5.225  -5.225
   20   2HB   GLU 405           HB1      GLU 405   9.600  -3.576  -3.576
   21   1HG   GLU 405           HG2      GLU 405  11.878  -4.021  -4.021
   22   2HG   GLU 405           HG1      GLU 405  11.753  -3.329  -3.329
   23    H    ARG 406           HN       ARG 406   7.671  -2.060  -2.060
   24    HA   ARG 406           HA       ARG 406   8.782   0.393   0.393
   25   1HB   ARG 406           HB2      ARG 406   6.331   0.029   0.029
   26   2HB   ARG 406           HB1      ARG 406   6.307  -0.023  -0.023
   27   1HG   ARG 406           HG2      ARG 406   5.655   2.207   2.207
   28   2HG   ARG 406           HG1      ARG 406   7.197   2.276   2.276
   29   1HD   ARG 406           HD2      ARG 406   7.483   1.792   1.792
   30   2HD   ARG 406           HD1      ARG 406   6.713   3.332   3.332
   31    HE   ARG 406           HE       ARG 406   9.267   2.657   2.657
   32   1HH1  ARG 406          HH11      ARG 406   8.136   5.361   5.361
   33   2HH1  ARG 406          HH12      ARG 406   8.998   6.247   6.247
   34   1HH2  ARG 406          HH21      ARG 406  10.093   3.377   3.377
   35   2HH2  ARG 406          HH22      ARG 406  10.116   5.114   5.114
   36    H    MET 407           HN       MET 407   8.021  -0.982  -0.982
   37    HA   MET 407           HA       MET 407   9.366   1.095   1.095
   38   1HB   MET 407           HB2      MET 407   8.069   0.096   0.096
   39   2HB   MET 407           HB1      MET 407   7.861  -1.331  -1.331
   40   1HG   MET 407           HG2      MET 407  10.530  -1.318  -1.318
   41   2HG   MET 407           HG1      MET 407   9.333  -1.070  -1.070
   42   1HE   MET 407           HE3      MET 407   8.681  -2.699  -2.699
   43   2HE   MET 407           HE2      MET 407  10.279  -3.385  -3.385
   44   3HE   MET 407           HE1      MET 407   8.870  -4.434  -4.434
   45    H    SER 408           HN       SER 408  10.289  -1.801  -1.801
   46    HA   SER 408           HA       SER 408  12.961  -1.989  -1.989
   47   1HB   SER 408           HB2      SER 408  11.686  -3.947  -3.947
   48   2HB   SER 408           HB1      SER 408  11.861  -3.217  -3.217
   49    HG   SER 408           HG       SER 408  13.554  -4.558  -4.558
   50    H    GLN 409           HN       GLN 409  11.523   0.081   0.081
   51    HA   GLN 409           HA       GLN 409  14.015   0.607   0.607
   52   1HB   GLN 409           HB2      GLN 409  11.694   0.124   0.124
   53   2HB   GLN 409           HB1      GLN 409  11.364   1.811   1.811
   54   1HG   GLN 409           HG2      GLN 409  13.289   2.531   2.531
   55   2HG   GLN 409           HG1      GLN 409  13.763   0.857   0.857
   56   1HE2  GLN 409          HE22      GLN 409  11.696   0.624   0.624
   57   2HE2  GLN 409          HE21      GLN 409  13.071   0.071   0.071
   58    H    ILE 410           HN       ILE 410  12.745   1.877   1.877
   59    HA   ILE 410           HA       ILE 410  12.817   4.705   4.705
   60    HB   ILE 410           HB       ILE 410  12.764   3.408   3.408
   61   1HG1  ILE 410          HG12      ILE 410  10.517   3.848   3.848
   62   2HG1  ILE 410          HG11      ILE 410  11.035   2.326   2.326
   63   1HG2  ILE 410          HG23      ILE 410  13.093   5.912   5.912
   64   2HG2  ILE 410          HG22      ILE 410  11.471   5.927   5.927
   65   3HG2  ILE 410          HG21      ILE 410  11.712   5.452   5.452
   66   1HD1  ILE 410          HD12      ILE 410  10.367   3.155   3.155
   67   2HD1  ILE 410          HD11      ILE 410   9.771   4.638   4.638
   68   3HD1  ILE 410          HD13      ILE 410   9.003   3.096   3.096
   69    H    LYS 411           HN       LYS 411  14.472   4.255   4.255
   70    HA   LYS 411           HA       LYS 411  16.888   5.492   5.492
   71   1HB   LYS 411           HB2      LYS 411  16.208   4.498   4.498
   72   2HB   LYS 411           HB1      LYS 411  17.696   5.348   5.348
   73   1HG   LYS 411           HG2      LYS 411  16.646   7.333   7.333
   74   2HG   LYS 411           HG1      LYS 411  15.455   6.819   6.819
   75   1HD   LYS 411           HD2      LYS 411  13.910   6.221   6.221
   76   2HD   LYS 411           HD1      LYS 411  15.137   5.701   5.701
   77   1HE   LYS 411           HE2      LYS 411  15.463   7.838   7.838
   78   2HE   LYS 411           HE1      LYS 411  14.960   8.618   8.618
   79   1HZ   LYS 411           HZ1      LYS 411  12.662   7.754   7.754
   80   2HZ   LYS 411           HZ3      LYS 411  13.230   7.335   7.335
   81   3HZ   LYS 411           HZ2      LYS 411  13.230   8.961   8.961
   82    H    ARG 412           HN       ARG 412  16.663   3.001   3.001
   83    HA   ARG 412           HA       ARG 412  18.537   1.164   1.164
   84   1HB   ARG 412           HB2      ARG 412  16.651   1.142   1.142
   85   2HB   ARG 412           HB1      ARG 412  17.803  -0.140  -0.140
   86   1HG   ARG 412           HG2      ARG 412  16.110  -0.974  -0.974
   87   2HG   ARG 412           HG1      ARG 412  16.871   0.114   0.114
   88   1HD   ARG 412           HD2      ARG 412  15.282   1.899   1.899
   89   2HD   ARG 412           HD1      ARG 412  14.439   0.654   0.654
   90    HE   ARG 412           HE       ARG 412  13.329   0.378   0.378
   91   1HH1  ARG 412          HH11      ARG 412  14.618  -1.677  -1.677
   92   2HH1  ARG 412          HH12      ARG 412  15.509  -1.056  -1.056
   93   1HH2  ARG 412          HH21      ARG 412  15.415   2.223   2.223
   94   2HH2  ARG 412          HH22      ARG 412  15.968   1.178   1.178
   95    H    LEU 413           HN       LEU 413  18.646   3.778   3.778
   96    HA   LEU 413           HA       LEU 413  20.630   2.942   2.942
   97   1HB   LEU 413           HB2      LEU 413  20.471   5.812   5.812
   98   2HB   LEU 413           HB1      LEU 413  20.757   5.153   5.153
   99    HG   LEU 413           HG       LEU 413  18.115   5.379   5.379
  100   1HD1  LEU 413          HD12      LEU 413  18.967   7.315   7.315
  101   2HD1  LEU 413          HD11      LEU 413  18.981   6.282   6.282
  102   3HD1  LEU 413          HD13      LEU 413  17.456   6.655   6.655
  103   1HD2  LEU 413          HD22      LEU 413  18.834   3.679   3.679
  104   2HD2  LEU 413          HD21      LEU 413  17.961   3.201   3.201
  105   3HD2  LEU 413          HD23      LEU 413  17.191   4.255   4.255
  106    H    LEU 414           HN       LEU 414  20.805   4.659   4.659
  107    HA   LEU 414           HA       LEU 414  23.607   5.067   5.067
  108   1HB   LEU 414           HB2      LEU 414  22.640   6.327   6.327
  109   2HB   LEU 414           HB1      LEU 414  21.230   5.302   5.302
  110    HG   LEU 414           HG       LEU 414  23.580   4.060   4.060
  111   1HD1  LEU 414          HD11      LEU 414  22.551   6.716   6.716
  112   2HD1  LEU 414          HD13      LEU 414  23.505   5.596   5.596
  113   3HD1  LEU 414          HD12      LEU 414  24.204   6.324   6.324
  114   1HD2  LEU 414          HD22      LEU 414  20.673   4.542   4.542
  115   2HD2  LEU 414          HD21      LEU 414  21.601   3.049   3.049
  116   3HD2  LEU 414          HD23      LEU 414  21.668   4.244   4.244
  117    H    SER 415           HN       SER 415  21.602   2.262   2.262
  118    HA   SER 415           HA       SER 415  23.606   0.785   0.785
  119   1HB   SER 415           HB2      SER 415  20.948   0.383   0.383
  120   2HB   SER 415           HB1      SER 415  21.801  -0.903  -0.903
  121    HG   SER 415           HG       SER 415  22.398  -1.773  -1.773
  122    H    GLU 416           HN       GLU 416  24.655  -1.239  -1.239
  123    HA   GLU 416           HA       GLU 416  26.483  -0.841  -0.841
  124   1HB   GLU 416           HB2      GLU 416  26.255  -3.630  -3.630
  125   2HB   GLU 416           HB1      GLU 416  27.328  -2.655  -2.655
  126   1HG   GLU 416           HG2      GLU 416  26.159  -4.303  -4.303
  127   2HG   GLU 416           HG1      GLU 416  25.726  -2.667  -2.667
  128    H    LYS 417           HN       LYS 417  23.910  -3.338  -3.338
  129    HA   LYS 417           HA       LYS 417  22.794  -3.985  -3.985
  130   1HB   LYS 417           HB2      LYS 417  21.563  -2.095  -2.095
  131   2HB   LYS 417           HB1      LYS 417  22.944  -1.045  -1.045
  132   1HG   LYS 417           HG2      LYS 417  22.542  -2.447  -2.447
  133   2HG   LYS 417           HG1      LYS 417  21.216  -1.375  -1.375
  134   1HD   LYS 417           HD2      LYS 417  24.151  -0.591  -0.591
  135   2HD   LYS 417           HD1      LYS 417  22.932  -0.172  -0.172
  136   1HE   LYS 417           HE2      LYS 417  22.477   1.688   1.688
  137   2HE   LYS 417           HE1      LYS 417  21.871   0.656   0.656
  138   1HZ   LYS 417           HZ2      LYS 417  24.283   0.454   0.454
  139   2HZ   LYS 417           HZ1      LYS 417  24.623   1.727   1.727
  140   3HZ   LYS 417           HZ3      LYS 417  23.556   1.990   1.990
  141    H    LYS 418           HN       LYS 418  24.407  -5.405  -5.405
  142    HA   LYS 418           HA       LYS 418  25.852  -4.598  -4.598
  143   1HB   LYS 418           HB2      LYS 418  27.095  -4.330  -4.330
  144   2HB   LYS 418           HB1      LYS 418  27.549  -5.979  -5.979
  145   1HG   LYS 418           HG2      LYS 418  28.119  -4.948  -4.948
  146   2HG   LYS 418           HG1      LYS 418  28.147  -3.418  -3.418
  147   1HD   LYS 418           HD2      LYS 418  30.397  -4.185  -4.185
  148   2HD   LYS 418           HD1      LYS 418  29.736  -4.579  -4.579
  149   1HE   LYS 418           HE2      LYS 418  30.805  -6.576  -6.576
  150   2HE   LYS 418           HE1      LYS 418  29.136  -6.881  -6.881
  151   1HZ   LYS 418           HZ3      LYS 418  30.240  -5.680  -5.680
  152   2HZ   LYS 418           HZ2      LYS 418  31.484  -6.688  -6.688
  153   3HZ   LYS 418           HZ1      LYS 418  29.953  -7.349  -7.349
  154    H    THR 419           HN       THR 419  27.307  -6.696  -6.696
  155    HA   THR 419           HA       THR 419  25.876  -9.233  -9.233
  156    HB   THR 419           HB       THR 419  24.549  -8.407  -8.407
  157    HG1  THR 419           HG1      THR 419  24.860 -10.000 -10.000
  158   1HG2  THR 419          HG21      THR 419  27.181  -7.477  -7.477
  159   2HG2  THR 419          HG23      THR 419  25.716  -7.584  -7.584
  160   3HG2  THR 419          HG22      THR 419  25.769  -6.508  -6.508
  161   1HN   NH2 420           HX1      THR 419  27.243 -10.991 -10.991
  162   2HN   NH2 420           HX2      THR 419  28.726 -10.999 -10.999

  Start of MODEL   17
    1   1H    ACE 402           HA1      ACE 402  10.643  -2.457  -2.457
    2   2H    ACE 402           HA2      ACE 402  12.130  -2.976  -2.976
    3   3H    ACE 402           HA3      ACE 402  10.571  -3.281  -3.281
    4    H    GLN 403           HN       GLN 403   9.185  -4.930  -4.930
    5    HA   GLN 403           HA       GLN 403  10.633  -7.119  -7.119
    6   1HB   GLN 403           HB2      GLN 403   8.902  -7.552  -7.552
    7   2HB   GLN 403           HB1      GLN 403   7.684  -6.947  -6.947
    8   1HG   GLN 403           HG2      GLN 403   8.336  -8.712  -8.712
    9   2HG   GLN 403           HG1      GLN 403   9.509  -9.331  -9.331
   10   1HE2  GLN 403          HE22      GLN 403   5.511  -9.951  -9.951
   11   2HE2  GLN 403          HE21      GLN 403   5.968  -8.707  -8.707
   12    H    ALA 404           HN       ALA 404   7.981  -5.031  -5.031
   13    HA   ALA 404           HA       ALA 404   7.310  -5.545  -5.545
   14   1HB   ALA 404           HB1      ALA 404   6.051  -4.180  -4.180
   15   2HB   ALA 404           HB3      ALA 404   7.222  -2.901  -2.901
   16   3HB   ALA 404           HB2      ALA 404   6.160  -3.396  -3.396
   17    H    GLU 405           HN       GLU 405   7.936  -4.134  -4.134
   18    HA   GLU 405           HA       GLU 405  10.722  -3.191  -3.191
   19   1HB   GLU 405           HB2      GLU 405   9.006  -4.087  -4.087
   20   2HB   GLU 405           HB1      GLU 405   9.651  -2.493  -2.493
   21   1HG   GLU 405           HG2      GLU 405  11.937  -3.480  -3.480
   22   2HG   GLU 405           HG1      GLU 405  11.156  -5.043  -5.043
   23    H    ARG 406           HN       ARG 406   8.482  -1.793  -1.793
   24    HA   ARG 406           HA       ARG 406   8.332   0.836   0.836
   25   1HB   ARG 406           HB2      ARG 406   6.251  -0.241  -0.241
   26   2HB   ARG 406           HB1      ARG 406   6.824  -0.343  -0.343
   27   1HG   ARG 406           HG2      ARG 406   5.364   1.571   1.571
   28   2HG   ARG 406           HG1      ARG 406   7.015   2.147   2.147
   29   1HD   ARG 406           HD2      ARG 406   7.072   3.075   3.075
   30   2HD   ARG 406           HD1      ARG 406   6.195   1.727   1.727
   31    HE   ARG 406           HE       ARG 406   4.393   3.270   3.270
   32   1HH1  ARG 406          HH11      ARG 406   3.531   2.418   2.418
   33   2HH1  ARG 406          HH12      ARG 406   3.583   3.864   3.864
   34   1HH2  ARG 406          HH21      ARG 406   5.628   5.548   5.548
   35   2HH2  ARG 406          HH22      ARG 406   4.786   5.659   5.659
   36    H    MET 407           HN       MET 407   8.573  -0.288  -0.288
   37    HA   MET 407           HA       MET 407   9.956   2.046   2.046
   38   1HB   MET 407           HB2      MET 407   9.778  -0.704  -0.704
   39   2HB   MET 407           HB1      MET 407  10.335   0.745   0.745
   40   1HG   MET 407           HG2      MET 407   8.224   1.539   1.539
   41   2HG   MET 407           HG1      MET 407   7.690   1.020   1.020
   42   1HE   MET 407           HE1      MET 407   7.138  -1.316  -1.316
   43   2HE   MET 407           HE3      MET 407   8.579  -2.070  -2.070
   44   3HE   MET 407           HE2      MET 407   6.982  -2.717  -2.717
   45    H    SER 408           HN       SER 408  11.034  -0.963  -0.963
   46    HA   SER 408           HA       SER 408  13.849  -0.376  -0.376
   47   1HB   SER 408           HB2      SER 408  12.859  -2.746  -2.746
   48   2HB   SER 408           HB1      SER 408  12.847  -2.647  -2.647
   49    HG   SER 408           HG       SER 408  15.047  -2.499  -2.499
   50    H    GLN 409           HN       GLN 409  11.909   1.080   1.080
   51    HA   GLN 409           HA       GLN 409  13.564   0.994   0.994
   52   1HB   GLN 409           HB2      GLN 409  11.117   0.763   0.763
   53   2HB   GLN 409           HB1      GLN 409  10.906   2.340   2.340
   54   1HG   GLN 409           HG2      GLN 409  11.369   3.410   3.410
   55   2HG   GLN 409           HG1      GLN 409  12.775   2.396   2.396
   56   1HE2  GLN 409          HE22      GLN 409   9.126   1.115   1.115
   57   2HE2  GLN 409          HE21      GLN 409   9.156   2.106   2.106
   58    H    ILE 410           HN       ILE 410  12.648   3.101   3.101
   59    HA   ILE 410           HA       ILE 410  13.778   5.494   5.494
   60    HB   ILE 410           HB       ILE 410  12.876   4.938   4.938
   61   1HG1  ILE 410          HG12      ILE 410  11.351   5.789   5.789
   62   2HG1  ILE 410          HG11      ILE 410  11.013   4.415   4.415
   63   1HG2  ILE 410          HG23      ILE 410  14.243   6.969   6.969
   64   2HG2  ILE 410          HG22      ILE 410  13.133   7.482   7.482
   65   3HG2  ILE 410          HG21      ILE 410  12.576   7.380   7.380
   66   1HD1  ILE 410          HD13      ILE 410  10.702   6.247   6.247
   67   2HD1  ILE 410          HD12      ILE 410  10.467   7.333   7.333
   68   3HD1  ILE 410          HD11      ILE 410   9.398   5.947   5.947
   69    H    LYS 411           HN       LYS 411  14.566   3.518   3.518
   70    HA   LYS 411           HA       LYS 411  17.318   4.599   4.599
   71   1HB   LYS 411           HB2      LYS 411  15.513   3.306   3.306
   72   2HB   LYS 411           HB1      LYS 411  17.220   2.913   2.913
   73   1HG   LYS 411           HG2      LYS 411  16.708   4.891   4.891
   74   2HG   LYS 411           HG1      LYS 411  17.750   5.350   5.350
   75   1HD   LYS 411           HD2      LYS 411  15.844   6.194   6.194
   76   2HD   LYS 411           HD1      LYS 411  14.725   5.603   5.603
   77   1HE   LYS 411           HE2      LYS 411  14.939   7.886   7.886
   78   2HE   LYS 411           HE1      LYS 411  16.073   7.111   7.111
   79   1HZ   LYS 411           HZ1      LYS 411  16.816   8.279   8.279
   80   2HZ   LYS 411           HZ3      LYS 411  17.024   9.060   9.060
   81   3HZ   LYS 411           HZ2      LYS 411  17.882   7.635   7.635
   82    H    ARG 412           HN       ARG 412  16.633   2.735   2.735
   83    HA   ARG 412           HA       ARG 412  17.596   0.134   0.134
   84   1HB   ARG 412           HB2      ARG 412  18.204   1.181   1.181
   85   2HB   ARG 412           HB1      ARG 412  17.402  -0.279  -0.279
   86   1HG   ARG 412           HG2      ARG 412  15.406   1.175   1.175
   87   2HG   ARG 412           HG1      ARG 412  16.259   2.418   2.418
   88   1HD   ARG 412           HD2      ARG 412  14.987   1.423   1.423
   89   2HD   ARG 412           HD1      ARG 412  16.504   0.531   0.531
   90    HE   ARG 412           HE       ARG 412  14.826  -0.843  -0.843
   91   1HH1  ARG 412          HH11      ARG 412  13.315   0.173   0.173
   92   2HH1  ARG 412          HH12      ARG 412  13.156  -1.389  -1.389
   93   1HH2  ARG 412          HH21      ARG 412  15.320  -2.982  -2.982
   94   2HH2  ARG 412          HH22      ARG 412  14.273  -3.147  -3.147
   95    H    LEU 413           HN       LEU 413  19.138   3.134   3.134
   96    HA   LEU 413           HA       LEU 413  21.786   2.406   2.406
   97   1HB   LEU 413           HB2      LEU 413  21.334   4.673   4.673
   98   2HB   LEU 413           HB1      LEU 413  22.452   4.583   4.583
   99    HG   LEU 413           HG       LEU 413  19.437   5.061   5.061
  100   1HD1  LEU 413          HD11      LEU 413  20.880   7.003   7.003
  101   2HD1  LEU 413          HD13      LEU 413  21.821   6.691   6.691
  102   3HD1  LEU 413          HD12      LEU 413  20.125   7.161   7.161
  103   1HD2  LEU 413          HD22      LEU 413  21.387   4.212   4.212
  104   2HD2  LEU 413          HD21      LEU 413  19.697   3.758   3.758
  105   3HD2  LEU 413          HD23      LEU 413  20.109   5.351   5.351
  106    H    LEU 414           HN       LEU 414  20.078   2.442   2.442
  107    HA   LEU 414           HA       LEU 414  22.364   1.566   1.566
  108   1HB   LEU 414           HB2      LEU 414  19.838   2.932   2.932
  109   2HB   LEU 414           HB1      LEU 414  19.951   1.539   1.539
  110    HG   LEU 414           HG       LEU 414  20.847   3.512   3.512
  111   1HD1  LEU 414          HD11      LEU 414  22.005   1.235   1.235
  112   2HD1  LEU 414          HD13      LEU 414  23.254   1.872   1.872
  113   3HD1  LEU 414          HD12      LEU 414  22.938   2.653   2.653
  114   1HD2  LEU 414          HD23      LEU 414  21.411   4.739   4.739
  115   2HD2  LEU 414          HD22      LEU 414  22.727   4.764   4.764
  116   3HD2  LEU 414          HD21      LEU 414  22.805   3.682   3.682
  117    H    SER 415           HN       SER 415  19.305   0.388   0.388
  118    HA   SER 415           HA       SER 415  19.315  -2.146  -2.146
  119   1HB   SER 415           HB2      SER 415  17.322  -0.867  -0.867
  120   2HB   SER 415           HB1      SER 415  17.731  -1.393  -1.393
  121    HG   SER 415           HG       SER 415  16.282  -2.873  -2.873
  122    H    GLU 416           HN       GLU 416  18.581  -3.048  -3.048
  123    HA   GLU 416           HA       GLU 416  20.804  -4.849  -4.849
  124   1HB   GLU 416           HB2      GLU 416  19.751  -5.556  -5.556
  125   2HB   GLU 416           HB1      GLU 416  18.534  -5.364  -5.364
  126   1HG   GLU 416           HG2      GLU 416  18.983  -2.877  -2.877
  127   2HG   GLU 416           HG1      GLU 416  18.460  -4.203  -4.203
  128    H    LYS 417           HN       LYS 417  22.193  -2.483  -2.483
  129    HA   LYS 417           HA       LYS 417  23.111  -2.019  -2.019
  130   1HB   LYS 417           HB2      LYS 417  22.102  -0.073  -0.073
  131   2HB   LYS 417           HB1      LYS 417  23.664  -0.106  -0.106
  132   1HG   LYS 417           HG2      LYS 417  24.404  -0.159  -0.159
  133   2HG   LYS 417           HG1      LYS 417  22.950   0.838   0.838
  134   1HD   LYS 417           HD2      LYS 417  24.803   2.318   2.318
  135   2HD   LYS 417           HD1      LYS 417  23.905   2.182   2.182
  136   1HE   LYS 417           HE2      LYS 417  26.067   0.191   0.191
  137   2HE   LYS 417           HE1      LYS 417  26.585   1.849   1.849
  138   1HZ   LYS 417           HZ2      LYS 417  24.631   1.401   1.401
  139   2HZ   LYS 417           HZ1      LYS 417  25.506  -0.076  -0.076
  140   3HZ   LYS 417           HZ3      LYS 417  26.320   1.383   1.383
  141    H    LYS 418           HN       LYS 418  24.374  -4.046  -4.046
  142    HA   LYS 418           HA       LYS 418  26.970  -3.409  -3.409
  143   1HB   LYS 418           HB2      LYS 418  25.594  -4.669  -4.669
  144   2HB   LYS 418           HB1      LYS 418  25.339  -5.936  -5.936
  145   1HG   LYS 418           HG2      LYS 418  28.143  -5.668  -5.668
  146   2HG   LYS 418           HG1      LYS 418  27.612  -5.490  -5.490
  147   1HD   LYS 418           HD2      LYS 418  28.114  -7.877  -7.877
  148   2HD   LYS 418           HD1      LYS 418  26.484  -7.631  -7.631
  149   1HE   LYS 418           HE2      LYS 418  26.071  -8.978  -8.978
  150   2HE   LYS 418           HE1      LYS 418  25.873  -7.382  -7.382
  151   1HZ   LYS 418           HZ1      LYS 418  28.515  -7.793  -7.793
  152   2HZ   LYS 418           HZ3      LYS 418  27.915  -9.374  -9.374
  153   3HZ   LYS 418           HZ2      LYS 418  27.340  -8.116  -8.116
  154    H    THR 419           HN       THR 419  26.113  -3.558  -3.558
  155    HA   THR 419           HA       THR 419  27.021  -4.245  -4.245
  156    HB   THR 419           HB       THR 419  29.278  -4.670  -4.670
  157    HG1  THR 419           HG1      THR 419  28.973  -6.401  -6.401
  158   1HG2  THR 419          HG23      THR 419  28.784  -2.950  -2.950
  159   2HG2  THR 419          HG22      THR 419  29.413  -4.224  -4.224
  160   3HG2  THR 419          HG21      THR 419  30.427  -3.550  -3.550
  161   1HN   NH2 420           HX1      THR 419  26.776  -6.483  -6.483
  162   2HN   NH2 420           HX2      THR 419  25.357  -6.985  -6.985

  Start of MODEL   18
    1   1H    ACE 402           HA1      ACE 402   9.039  -3.894  -3.894
    2   2H    ACE 402           HA2      ACE 402   7.432  -3.289  -3.289
    3   3H    ACE 402           HA3      ACE 402   8.757  -3.098  -3.098
    4    H    GLN 403           HN       GLN 403   6.032  -4.644  -4.644
    5    HA   GLN 403           HA       GLN 403   6.859  -7.409  -7.409
    6   1HB   GLN 403           HB2      GLN 403   4.238  -5.959  -5.959
    7   2HB   GLN 403           HB1      GLN 403   4.468  -7.675  -7.675
    8   1HG   GLN 403           HG2      GLN 403   4.899  -8.168  -8.168
    9   2HG   GLN 403           HG1      GLN 403   5.053  -6.459  -6.459
   10   1HE2  GLN 403          HE22      GLN 403   1.338  -8.124  -8.124
   11   2HE2  GLN 403          HE21      GLN 403   2.699  -9.023  -9.023
   12    H    ALA 404           HN       ALA 404   5.662  -4.687  -4.687
   13    HA   ALA 404           HA       ALA 404   6.031  -5.488  -5.488
   14   1HB   ALA 404           HB1      ALA 404   4.677  -3.500  -3.500
   15   2HB   ALA 404           HB3      ALA 404   6.224  -2.669  -2.669
   16   3HB   ALA 404           HB2      ALA 404   5.582  -3.156  -3.156
   17    H    GLU 405           HN       GLU 405   7.779  -4.662  -4.662
   18    HA   GLU 405           HA       GLU 405  10.368  -4.351  -4.351
   19   1HB   GLU 405           HB2      GLU 405  11.198  -4.004  -4.004
   20   2HB   GLU 405           HB1      GLU 405  10.789  -5.610  -5.610
   21   1HG   GLU 405           HG2      GLU 405   9.877  -5.093  -5.093
   22   2HG   GLU 405           HG1      GLU 405   8.634  -5.533  -5.533
   23    H    ARG 406           HN       ARG 406   8.184  -2.263  -2.263
   24    HA   ARG 406           HA       ARG 406   9.275   0.082   0.082
   25   1HB   ARG 406           HB2      ARG 406   6.848  -0.512  -0.512
   26   2HB   ARG 406           HB1      ARG 406   6.732  -0.189  -0.189
   27   1HG   ARG 406           HG2      ARG 406   6.492   1.999   1.999
   28   2HG   ARG 406           HG1      ARG 406   8.075   1.999   1.999
   29   1HD   ARG 406           HD2      ARG 406   5.664   1.061   1.061
   30   2HD   ARG 406           HD1      ARG 406   6.054   2.775   2.775
   31    HE   ARG 406           HE       ARG 406   7.823   2.395   2.395
   32   1HH1  ARG 406          HH21      ARG 406   9.868   0.874   0.874
   33   2HH1  ARG 406          HH22      ARG 406   9.560  -0.763  -0.763
   34   1HH2  ARG 406          HH11      ARG 406   6.141  -0.288  -0.288
   35   2HH2  ARG 406          HH12      ARG 406   7.452  -1.410  -1.410
   36    H    MET 407           HN       MET 407   8.137  -0.835  -0.835
   37    HA   MET 407           HA       MET 407   9.245   1.431   1.431
   38   1HB   MET 407           HB2      MET 407   8.368  -1.272  -1.272
   39   2HB   MET 407           HB1      MET 407   8.943   0.004   0.004
   40   1HG   MET 407           HG2      MET 407   6.579   0.224   0.224
   41   2HG   MET 407           HG1      MET 407   7.134   1.493   1.493
   42   1HE   MET 407           HE1      MET 407   6.357  -2.177  -2.177
   43   2HE   MET 407           HE3      MET 407   5.442  -2.594  -2.594
   44   3HE   MET 407           HE2      MET 407   7.184  -2.360  -2.360
   45    H    SER 408           HN       SER 408  10.391  -1.775  -1.775
   46    HA   SER 408           HA       SER 408  12.882  -1.501  -1.501
   47   1HB   SER 408           HB2      SER 408  11.796  -3.721  -3.721
   48   2HB   SER 408           HB1      SER 408  12.373  -3.413  -3.413
   49    HG   SER 408           HG       SER 408  14.504  -3.302  -3.302
   50    H    GLN 409           HN       GLN 409  11.825   0.023   0.023
   51    HA   GLN 409           HA       GLN 409  14.457   0.208   0.208
   52   1HB   GLN 409           HB2      GLN 409  12.229  -0.434  -0.434
   53   2HB   GLN 409           HB1      GLN 409  11.921   1.299   1.299
   54   1HG   GLN 409           HG2      GLN 409  13.978   1.730   1.730
   55   2HG   GLN 409           HG1      GLN 409  14.405   0.019   0.019
   56   1HE2  GLN 409          HE22      GLN 409  12.496  -0.705  -0.705
   57   2HE2  GLN 409          HE21      GLN 409  13.756  -1.165  -1.165
   58    H    ILE 410           HN       ILE 410  12.792   2.035   2.035
   59    HA   ILE 410           HA       ILE 410  13.066   4.665   4.665
   60    HB   ILE 410           HB       ILE 410  12.513   3.941   3.941
   61   1HG1  ILE 410          HG12      ILE 410  10.675   4.027   4.027
   62   2HG1  ILE 410          HG11      ILE 410  10.967   2.673   2.673
   63   1HG2  ILE 410          HG21      ILE 410  13.007   6.354   6.354
   64   2HG2  ILE 410          HG23      ILE 410  11.337   6.218   6.218
   65   3HG2  ILE 410          HG22      ILE 410  11.713   6.106   6.106
   66   1HD1  ILE 410          HD11      ILE 410   9.681   5.279   5.279
   67   2HD1  ILE 410          HD13      ILE 410   8.788   3.816   3.816
   68   3HD1  ILE 410          HD12      ILE 410   9.876   3.823   3.823
   69    H    LYS 411           HN       LYS 411  14.275   4.575   4.575
   70    HA   LYS 411           HA       LYS 411  16.782   5.819   5.819
   71   1HB   LYS 411           HB2      LYS 411  15.480   5.311   5.311
   72   2HB   LYS 411           HB1      LYS 411  17.191   5.714   5.714
   73   1HG   LYS 411           HG2      LYS 411  16.382   7.858   7.858
   74   2HG   LYS 411           HG1      LYS 411  16.262   7.623   7.623
   75   1HD   LYS 411           HD2      LYS 411  14.047   8.012   8.012
   76   2HD   LYS 411           HD1      LYS 411  13.892   6.519   6.519
   77   1HE   LYS 411           HE2      LYS 411  14.498   7.852   7.852
   78   2HE   LYS 411           HE1      LYS 411  14.352   9.309   9.309
   79   1HZ   LYS 411           HZ1      LYS 411  12.052   8.492   8.492
   80   2HZ   LYS 411           HZ3      LYS 411  12.231   7.330   7.330
   81   3HZ   LYS 411           HZ2      LYS 411  12.265   8.984   8.984
   82    H    ARG 412           HN       ARG 412  16.726   3.138   3.138
   83    HA   ARG 412           HA       ARG 412  18.467   1.559   1.559
   84   1HB   ARG 412           HB2      ARG 412  16.793   1.070   1.070
   85   2HB   ARG 412           HB1      ARG 412  17.892  -0.121  -0.121
   86   1HG   ARG 412           HG2      ARG 412  16.089  -0.675  -0.675
   87   2HG   ARG 412           HG1      ARG 412  16.715   0.666   0.666
   88   1HD   ARG 412           HD2      ARG 412  15.226   2.198   2.198
   89   2HD   ARG 412           HD1      ARG 412  14.558   0.837   0.837
   90    HE   ARG 412           HE       ARG 412  13.096   0.769   0.769
   91   1HH1  ARG 412          HH11      ARG 412  14.871  -1.065  -1.065
   92   2HH1  ARG 412          HH12      ARG 412  15.203  -0.248  -0.248
   93   1HH2  ARG 412          HH21      ARG 412  14.158   2.844   2.844
   94   2HH2  ARG 412          HH22      ARG 412  14.790   1.997   1.997
   95    H    LEU 413           HN       LEU 413  18.849   3.774   3.774
   96    HA   LEU 413           HA       LEU 413  20.807   2.635   2.635
   97   1HB   LEU 413           HB2      LEU 413  20.916   5.547   5.547
   98   2HB   LEU 413           HB1      LEU 413  21.297   4.806   4.806
   99    HG   LEU 413           HG       LEU 413  18.560   5.336   5.336
  100   1HD1  LEU 413          HD12      LEU 413  20.027   6.123   6.123
  101   2HD1  LEU 413          HD11      LEU 413  18.278   6.286   6.286
  102   3HD1  LEU 413          HD13      LEU 413  19.341   7.169   7.169
  103   1HD2  LEU 413          HD23      LEU 413  19.360   3.325   3.325
  104   2HD2  LEU 413          HD22      LEU 413  18.155   3.181   3.181
  105   3HD2  LEU 413          HD21      LEU 413  17.815   4.161   4.161
  106    H    LEU 414           HN       LEU 414  21.138   4.261   4.261
  107    HA   LEU 414           HA       LEU 414  23.942   4.424   4.424
  108   1HB   LEU 414           HB2      LEU 414  23.479   5.305   5.305
  109   2HB   LEU 414           HB1      LEU 414  21.864   5.365   5.365
  110    HG   LEU 414           HG       LEU 414  21.772   2.895   2.895
  111   1HD1  LEU 414          HD11      LEU 414  24.287   3.610   3.610
  112   2HD1  LEU 414          HD13      LEU 414  23.344   4.127   4.127
  113   3HD1  LEU 414          HD12      LEU 414  23.280   2.448   2.448
  114   1HD2  LEU 414          HD21      LEU 414  21.185   5.608   5.608
  115   2HD2  LEU 414          HD23      LEU 414  20.118   4.218   4.218
  116   3HD2  LEU 414          HD22      LEU 414  21.190   4.319   4.319
  117    H    SER 415           HN       SER 415  21.857   1.617   1.617
  118    HA   SER 415           HA       SER 415  23.889   0.090   0.090
  119   1HB   SER 415           HB2      SER 415  21.357  -0.115  -0.115
  120   2HB   SER 415           HB1      SER 415  21.364  -0.988  -0.988
  121    HG   SER 415           HG       SER 415  21.578  -2.433  -2.433
  122    H    GLU 416           HN       GLU 416  24.135  -2.338  -2.338
  123    HA   GLU 416           HA       GLU 416  25.664  -1.963  -1.963
  124   1HB   GLU 416           HB2      GLU 416  26.410  -3.457  -3.457
  125   2HB   GLU 416           HB1      GLU 416  25.073  -4.541  -4.541
  126   1HG   GLU 416           HG2      GLU 416  26.225  -4.224  -4.224
  127   2HG   GLU 416           HG1      GLU 416  27.639  -4.128  -4.128
  128    H    LYS 417           HN       LYS 417  23.539  -1.269  -1.269
  129    HA   LYS 417           HA       LYS 417  21.835  -3.531  -3.531
  130   1HB   LYS 417           HB2      LYS 417  20.887  -1.256  -1.256
  131   2HB   LYS 417           HB1      LYS 417  21.676  -0.645  -0.645
  132   1HG   LYS 417           HG2      LYS 417  20.436  -2.602  -2.602
  133   2HG   LYS 417           HG1      LYS 417  19.416  -2.620  -2.620
  134   1HD   LYS 417           HD2      LYS 417  18.438  -1.191  -1.191
  135   2HD   LYS 417           HD1      LYS 417  18.861  -0.248  -0.248
  136   1HE   LYS 417           HE2      LYS 417  19.532   0.919   0.919
  137   2HE   LYS 417           HE1      LYS 417  20.938   0.511   0.511
  138   1HZ   LYS 417           HZ3      LYS 417  19.988  -1.245  -1.245
  139   2HZ   LYS 417           HZ2      LYS 417  21.080   0.029   0.029
  140   3HZ   LYS 417           HZ1      LYS 417  21.512  -1.256  -1.256
  141    H    LYS 418           HN       LYS 418  24.163  -4.278  -4.278
  142    HA   LYS 418           HA       LYS 418  24.039  -4.195  -4.195
  143   1HB   LYS 418           HB2      LYS 418  25.242  -1.956  -1.956
  144   2HB   LYS 418           HB1      LYS 418  26.634  -3.027  -3.027
  145   1HG   LYS 418           HG2      LYS 418  25.287  -3.444  -3.444
  146   2HG   LYS 418           HG1      LYS 418  25.112  -1.710  -1.710
  147   1HD   LYS 418           HD2      LYS 418  27.179  -2.027  -2.027
  148   2HD   LYS 418           HD1      LYS 418  27.600  -1.625  -1.625
  149   1HE   LYS 418           HE2      LYS 418  27.224  -4.505  -4.505
  150   2HE   LYS 418           HE1      LYS 418  28.534  -3.825  -3.825
  151   1HZ   LYS 418           HZ1      LYS 418  29.059  -2.700  -2.700
  152   2HZ   LYS 418           HZ3      LYS 418  28.289  -4.119  -4.119
  153   3HZ   LYS 418           HZ2      LYS 418  29.671  -4.219  -4.219
  154    H    THR 419           HN       THR 419  23.904  -6.430  -6.430
  155    HA   THR 419           HA       THR 419  24.751  -8.573  -8.573
  156    HB   THR 419           HB       THR 419  26.613  -9.233  -9.233
  157    HG1  THR 419           HG1      THR 419  27.806  -6.790  -6.790
  158   1HG2  THR 419          HG21      THR 419  25.058  -7.410  -7.410
  159   2HG2  THR 419          HG23      THR 419  26.610  -6.582  -6.582
  160   3HG2  THR 419          HG22      THR 419  26.416  -8.193  -8.193
  161   1HN   NH2 420           HX1      THR 419  25.659  -9.661  -9.661
  162   2HN   NH2 420           HX2      THR 419  25.442  -8.313  -8.313

  Start of MODEL   19
    1   1H    ACE 402           HA1      ACE 402  12.440  -3.925  -3.925
    2   2H    ACE 402           HA2      ACE 402  10.679  -3.980  -3.980
    3   3H    ACE 402           HA3      ACE 402  11.491  -3.189  -3.189
    4    H    GLN 403           HN       GLN 403   9.651  -5.725  -5.725
    5    HA   GLN 403           HA       GLN 403  11.299  -7.840  -7.840
    6   1HB   GLN 403           HB2      GLN 403   9.467  -9.268  -9.268
    7   2HB   GLN 403           HB1      GLN 403   9.243  -8.144  -8.144
    8   1HG   GLN 403           HG2      GLN 403   7.884  -7.641  -7.641
    9   2HG   GLN 403           HG1      GLN 403   7.196  -8.774  -8.774
   10   1HE2  GLN 403          HE22      GLN 403   5.842  -6.212  -6.212
   11   2HE2  GLN 403          HE21      GLN 403   5.858  -7.861  -7.861
   12    H    ALA 404           HN       ALA 404   8.986  -5.521  -5.521
   13    HA   ALA 404           HA       ALA 404   8.776  -6.051  -6.051
   14   1HB   ALA 404           HB1      ALA 404   7.093  -4.854  -4.854
   15   2HB   ALA 404           HB3      ALA 404   8.225  -3.511  -3.511
   16   3HB   ALA 404           HB2      ALA 404   7.492  -3.967  -3.967
   17    H    GLU 405           HN       GLU 405   9.819  -4.662  -4.662
   18    HA   GLU 405           HA       GLU 405  12.320  -3.397  -3.397
   19   1HB   GLU 405           HB2      GLU 405  11.191  -4.211  -4.211
   20   2HB   GLU 405           HB1      GLU 405  12.246  -2.800  -2.800
   21   1HG   GLU 405           HG2      GLU 405  13.014  -5.395  -5.395
   22   2HG   GLU 405           HG1      GLU 405  13.416  -5.048  -5.048
   23    H    ARG 406           HN       ARG 406   9.738  -2.251  -2.251
   24    HA   ARG 406           HA       ARG 406   9.465   0.288   0.288
   25   1HB   ARG 406           HB2      ARG 406   7.504  -1.209  -1.209
   26   2HB   ARG 406           HB1      ARG 406   7.779  -0.731  -0.731
   27   1HG   ARG 406           HG2      ARG 406   6.034   0.652   0.652
   28   2HG   ARG 406           HG1      ARG 406   7.401   1.583   1.583
   29   1HD   ARG 406           HD2      ARG 406   6.456   2.101   2.101
   30   2HD   ARG 406           HD1      ARG 406   8.200   2.021   2.021
   31    HE   ARG 406           HE       ARG 406   6.913  -0.500  -0.500
   32   1HH1  ARG 406          HH21      ARG 406   9.701  -0.279  -0.279
   33   2HH1  ARG 406          HH22      ARG 406   9.715   0.336   0.336
   34   1HH2  ARG 406          HH11      ARG 406   6.417   1.438   1.438
   35   2HH2  ARG 406          HH12      ARG 406   7.839   1.313   1.313
   36    H    MET 407           HN       MET 407   9.710  -0.867  -0.867
   37    HA   MET 407           HA       MET 407  10.548   1.638   1.638
   38   1HB   MET 407           HB2      MET 407  10.869  -1.198  -1.198
   39   2HB   MET 407           HB1      MET 407  11.270   0.222   0.222
   40   1HG   MET 407           HG2      MET 407   9.083  -0.364  -0.364
   41   2HG   MET 407           HG1      MET 407   8.847   0.990   0.990
   42   1HE   MET 407           HE3      MET 407   9.369  -2.754  -2.754
   43   2HE   MET 407           HE2      MET 407   8.341  -3.451  -3.451
   44   3HE   MET 407           HE1      MET 407   9.812  -2.597  -2.597
   45    H    SER 408           HN       SER 408  12.129  -0.951  -0.951
   46    HA   SER 408           HA       SER 408  14.849  -0.103  -0.103
   47   1HB   SER 408           HB2      SER 408  14.219  -2.516  -2.516
   48   2HB   SER 408           HB1      SER 408  13.874  -2.203  -2.203
   49    HG   SER 408           HG       SER 408  15.907  -2.730  -2.730
   50    H    GLN 409           HN       GLN 409  12.576   1.101   1.101
   51    HA   GLN 409           HA       GLN 409  14.404   1.786   1.786
   52   1HB   GLN 409           HB2      GLN 409  12.079   0.924   0.924
   53   2HB   GLN 409           HB1      GLN 409  11.460   2.418   2.418
   54   1HG   GLN 409           HG2      GLN 409  11.531   2.885   2.885
   55   2HG   GLN 409           HG1      GLN 409  13.027   3.600   3.600
   56   1HE2  GLN 409          HE22      GLN 409  13.409   1.053   1.053
   57   2HE2  GLN 409          HE21      GLN 409  12.082   2.069   2.069
   58    H    ILE 410           HN       ILE 410  12.870   3.211   3.211
   59    HA   ILE 410           HA       ILE 410  13.502   5.946   5.946
   60    HB   ILE 410           HB       ILE 410  12.432   5.179   5.179
   61   1HG1  ILE 410          HG12      ILE 410  10.764   5.366   5.366
   62   2HG1  ILE 410          HG11      ILE 410  11.038   3.897   3.897
   63   1HG2  ILE 410          HG23      ILE 410  13.108   7.515   7.515
   64   2HG2  ILE 410          HG22      ILE 410  11.694   7.450   7.450
   65   3HG2  ILE 410          HG21      ILE 410  11.496   7.350   7.350
   66   1HD1  ILE 410          HD12      ILE 410   9.644   6.371   6.371
   67   2HD1  ILE 410          HD11      ILE 410   8.830   4.907   4.907
   68   3HD1  ILE 410          HD13      ILE 410   9.882   4.851   4.851
   69    H    LYS 411           HN       LYS 411  14.291   3.650   3.650
   70    HA   LYS 411           HA       LYS 411  16.600   5.273   5.273
   71   1HB   LYS 411           HB2      LYS 411  15.226   2.844   2.844
   72   2HB   LYS 411           HB1      LYS 411  16.751   3.428   3.428
   73   1HG   LYS 411           HG2      LYS 411  15.313   4.616   4.616
   74   2HG   LYS 411           HG1      LYS 411  15.417   5.752   5.752
   75   1HD   LYS 411           HD2      LYS 411  13.125   5.616   5.616
   76   2HD   LYS 411           HD1      LYS 411  13.397   4.225   4.225
   77   1HE   LYS 411           HE2      LYS 411  13.310   4.007   4.007
   78   2HE   LYS 411           HE1      LYS 411  11.878   3.819   3.819
   79   1HZ   LYS 411           HZ3      LYS 411  13.222   2.078   2.078
   80   2HZ   LYS 411           HZ2      LYS 411  14.318   2.132   2.132
   81   3HZ   LYS 411           HZ1      LYS 411  12.709   1.661   1.661
   82    H    ARG 412           HN       ARG 412  16.617   3.784   3.784
   83    HA   ARG 412           HA       ARG 412  18.166   1.471   1.471
   84   1HB   ARG 412           HB2      ARG 412  18.816   3.225   3.225
   85   2HB   ARG 412           HB1      ARG 412  18.257   1.587   1.587
   86   1HG   ARG 412           HG2      ARG 412  15.982   2.329   2.329
   87   2HG   ARG 412           HG1      ARG 412  16.549   3.994   3.994
   88   1HD   ARG 412           HD2      ARG 412  17.402   2.377   2.377
   89   2HD   ARG 412           HD1      ARG 412  15.696   2.810   2.810
   90    HE   ARG 412           HE       ARG 412  17.797   4.924   4.924
   91   1HH1  ARG 412          HH11      ARG 412  14.742   5.272   5.272
   92   2HH1  ARG 412          HH12      ARG 412  14.497   5.887   5.887
   93   1HH2  ARG 412          HH21      ARG 412  17.662   4.914   4.914
   94   2HH2  ARG 412          HH22      ARG 412  16.180   5.680   5.680
   95    H    LEU 413           HN       LEU 413  19.047   4.739   4.739
   96    HA   LEU 413           HA       LEU 413  21.823   4.729   4.729
   97   1HB   LEU 413           HB2      LEU 413  20.732   6.260   6.260
   98   2HB   LEU 413           HB1      LEU 413  21.955   6.756   6.756
   99    HG   LEU 413           HG       LEU 413  18.931   6.660   6.660
  100   1HD1  LEU 413          HD13      LEU 413  19.924   8.628   8.628
  101   2HD1  LEU 413          HD12      LEU 413  20.934   8.930   8.930
  102   3HD1  LEU 413          HD11      LEU 413  19.178   9.050   9.050
  103   1HD2  LEU 413          HD23      LEU 413  21.146   7.190   7.190
  104   2HD2  LEU 413          HD22      LEU 413  19.986   5.863   5.863
  105   3HD2  LEU 413          HD21      LEU 413  19.436   7.519   7.519
  106    H    LEU 414           HN       LEU 414  19.986   3.809   3.809
  107    HA   LEU 414           HA       LEU 414  22.338   2.821   2.821
  108   1HB   LEU 414           HB2      LEU 414  20.984   4.087   4.087
  109   2HB   LEU 414           HB1      LEU 414  19.510   3.559   3.559
  110    HG   LEU 414           HG       LEU 414  20.998   1.389   1.389
  111   1HD1  LEU 414          HD12      LEU 414  21.343   3.380   3.380
  112   2HD1  LEU 414          HD11      LEU 414  19.588   3.490   3.490
  113   3HD1  LEU 414          HD13      LEU 414  20.432   2.054   2.054
  114   1HD2  LEU 414          HD21      LEU 414  18.141   2.413   2.413
  115   2HD2  LEU 414          HD23      LEU 414  18.780   1.135   1.135
  116   3HD2  LEU 414          HD22      LEU 414  18.668   0.887   0.887
  117    H    SER 415           HN       SER 415  19.429   1.662   1.662
  118    HA   SER 415           HA       SER 415  19.492  -1.051  -1.051
  119   1HB   SER 415           HB2      SER 415  17.656   0.346   0.346
  120   2HB   SER 415           HB1      SER 415  18.379  -0.410  -0.410
  121    HG   SER 415           HG       SER 415  16.954  -1.913  -1.913
  122    H    GLU 416           HN       GLU 416  20.508  -2.886  -2.886
  123    HA   GLU 416           HA       GLU 416  22.726  -2.561  -2.561
  124   1HB   GLU 416           HB2      GLU 416  23.023  -3.971  -3.971
  125   2HB   GLU 416           HB1      GLU 416  21.691  -5.004  -5.004
  126   1HG   GLU 416           HG2      GLU 416  23.886  -6.018  -6.018
  127   2HG   GLU 416           HG1      GLU 416  22.951  -5.685  -5.685
  128    H    LYS 417           HN       LYS 417  21.326  -1.967  -1.967
  129    HA   LYS 417           HA       LYS 417  19.725  -4.182  -4.182
  130   1HB   LYS 417           HB2      LYS 417  19.072  -1.589  -1.589
  131   2HB   LYS 417           HB1      LYS 417  19.962  -1.521  -1.521
  132   1HG   LYS 417           HG2      LYS 417  18.415  -3.738  -3.738
  133   2HG   LYS 417           HG1      LYS 417  17.345  -2.769  -2.769
  134   1HD   LYS 417           HD2      LYS 417  18.725  -1.767  -1.767
  135   2HD   LYS 417           HD1      LYS 417  17.046  -2.300  -2.300
  136   1HE   LYS 417           HE2      LYS 417  18.113  -0.109  -0.109
  137   2HE   LYS 417           HE1      LYS 417  17.464   0.232   0.232
  138   1HZ   LYS 417           HZ1      LYS 417  15.637  -1.461  -1.461
  139   2HZ   LYS 417           HZ3      LYS 417  16.048  -0.185  -0.185
  140   3HZ   LYS 417           HZ2      LYS 417  15.420   0.172   0.172
  141    H    LYS 418           HN       LYS 418  22.095  -5.135  -5.135
  142    HA   LYS 418           HA       LYS 418  22.950  -5.097  -5.097
  143   1HB   LYS 418           HB2      LYS 418  23.932  -2.972  -2.972
  144   2HB   LYS 418           HB1      LYS 418  24.879  -3.988  -3.988
  145   1HG   LYS 418           HG2      LYS 418  24.957  -4.600  -4.600
  146   2HG   LYS 418           HG1      LYS 418  25.872  -3.210  -3.210
  147   1HD   LYS 418           HD2      LYS 418  26.165  -6.088  -6.088
  148   2HD   LYS 418           HD1      LYS 418  27.317  -5.180  -5.180
  149   1HE   LYS 418           HE2      LYS 418  28.326  -4.632  -4.632
  150   2HE   LYS 418           HE1      LYS 418  26.941  -3.590  -3.590
  151   1HZ   LYS 418           HZ2      LYS 418  26.681  -6.467  -6.467
  152   2HZ   LYS 418           HZ1      LYS 418  27.629  -5.496  -5.496
  153   3HZ   LYS 418           HZ3      LYS 418  25.985  -5.111  -5.111
  154    H    THR 419           HN       THR 419  23.641  -6.993  -6.993
  155    HA   THR 419           HA       THR 419  24.109  -9.082  -9.082
  156    HB   THR 419           HB       THR 419  23.143  -9.751  -9.751
  157    HG1  THR 419           HG1      THR 419  24.514 -11.334 -11.334
  158   1HG2  THR 419          HG21      THR 419  25.155  -7.888  -7.888
  159   2HG2  THR 419          HG23      THR 419  24.847  -9.330  -9.330
  160   3HG2  THR 419          HG22      THR 419  23.519  -8.248  -8.248
  161   1HN   NH2 420           HX1      THR 419  27.677  -8.112  -8.112
  162   2HN   NH2 420           HX2      THR 419  26.847  -9.524  -9.524

  Start of MODEL   20
    1   1H    ACE 402           HA1      ACE 402   8.948  -3.560  -3.560
    2   2H    ACE 402           HA2      ACE 402  10.476  -3.803  -3.803
    3   3H    ACE 402           HA3      ACE 402  10.152  -4.667  -4.667
    4    H    GLN 403           HN       GLN 403   7.267  -5.048  -5.048
    5    HA   GLN 403           HA       GLN 403   7.720  -7.556  -7.556
    6   1HB   GLN 403           HB2      GLN 403   5.953  -7.428  -7.428
    7   2HB   GLN 403           HB1      GLN 403   5.113  -6.217  -6.217
    8   1HG   GLN 403           HG2      GLN 403   5.827  -8.787  -8.787
    9   2HG   GLN 403           HG1      GLN 403   4.528  -8.840  -8.840
   10   1HE2  GLN 403          HE22      GLN 403   3.796  -7.209  -7.209
   11   2HE2  GLN 403          HE21      GLN 403   5.274  -7.971  -7.971
   12    H    ALA 404           HN       ALA 404   6.152  -4.540  -4.540
   13    HA   ALA 404           HA       ALA 404   5.457  -4.572  -4.572
   14   1HB   ALA 404           HB1      ALA 404   4.597  -3.025  -3.025
   15   2HB   ALA 404           HB3      ALA 404   6.157  -2.222  -2.222
   16   3HB   ALA 404           HB2      ALA 404   5.113  -2.170  -2.170
   17    H    GLU 405           HN       GLU 405   6.758  -3.712  -3.712
   18    HA   GLU 405           HA       GLU 405   9.636  -3.365  -3.365
   19   1HB   GLU 405           HB2      GLU 405   8.150  -4.239  -4.239
   20   2HB   GLU 405           HB1      GLU 405   8.853  -2.697  -2.697
   21   1HG   GLU 405           HG2      GLU 405  10.403  -5.011  -5.011
   22   2HG   GLU 405           HG1      GLU 405  10.369  -4.601  -4.601
   23    H    ARG 406           HN       ARG 406   7.850  -1.431  -1.431
   24    HA   ARG 406           HA       ARG 406   8.032   1.040   1.040
   25   1HB   ARG 406           HB2      ARG 406   5.855   0.418   0.418
   26   2HB   ARG 406           HB1      ARG 406   6.527   0.390   0.390
   27   1HG   ARG 406           HG2      ARG 406   5.441   2.501   2.501
   28   2HG   ARG 406           HG1      ARG 406   7.165   2.821   2.821
   29   1HD   ARG 406           HD2      ARG 406   7.038   3.376   3.376
   30   2HD   ARG 406           HD1      ARG 406   5.749   2.215   2.215
   31    HE   ARG 406           HE       ARG 406   5.102   4.674   4.674
   32   1HH1  ARG 406          HH21      ARG 406   2.985   2.829   2.829
   33   2HH1  ARG 406          HH22      ARG 406   2.439   3.615   3.615
   34   1HH2  ARG 406          HH11      ARG 406   5.246   5.661   5.661
   35   2HH2  ARG 406          HH12      ARG 406   3.736   5.242   5.242
   36    H    MET 407           HN       MET 407   8.312   0.279   0.279
   37    HA   MET 407           HA       MET 407  10.137   2.398   2.398
   38   1HB   MET 407           HB2      MET 407  10.247   1.578   1.578
   39   2HB   MET 407           HB1      MET 407   8.664   1.049   1.049
   40   1HG   MET 407           HG2      MET 407  11.170  -0.677  -0.677
   41   2HG   MET 407           HG1      MET 407   9.913  -0.739  -0.739
   42   1HE   MET 407           HE3      MET 407   7.596  -1.033  -1.033
   43   2HE   MET 407           HE2      MET 407   7.179  -0.346  -0.346
   44   3HE   MET 407           HE1      MET 407   6.847  -2.044  -2.044
   45    H    SER 408           HN       SER 408  10.591  -0.836  -0.836
   46    HA   SER 408           HA       SER 408  13.482  -0.889  -0.889
   47   1HB   SER 408           HB2      SER 408  12.321  -3.004  -3.004
   48   2HB   SER 408           HB1      SER 408  11.504  -2.706  -2.706
   49    HG   SER 408           HG       SER 408  13.270  -3.241  -3.241
   50    H    GLN 409           HN       GLN 409  11.494   0.737   0.737
   51    HA   GLN 409           HA       GLN 409  13.259   0.635   0.635
   52   1HB   GLN 409           HB2      GLN 409  10.703   0.463   0.463
   53   2HB   GLN 409           HB1      GLN 409  10.680   2.174   2.174
   54   1HG   GLN 409           HG2      GLN 409  10.838   2.453   2.453
   55   2HG   GLN 409           HG1      GLN 409  12.547   2.092   2.092
   56   1HE2  GLN 409          HE22      GLN 409  10.146  -0.947  -0.947
   57   2HE2  GLN 409          HE21      GLN 409   9.447   0.240   0.240
   58    H    ILE 410           HN       ILE 410  12.060   2.820   2.820
   59    HA   ILE 410           HA       ILE 410  13.496   5.108   5.108
   60    HB   ILE 410           HB       ILE 410  12.044   5.019   5.019
   61   1HG1  ILE 410          HG12      ILE 410  10.798   5.419   5.419
   62   2HG1  ILE 410          HG11      ILE 410  10.504   4.048   4.048
   63   1HG2  ILE 410          HG23      ILE 410  12.608   7.115   7.115
   64   2HG2  ILE 410          HG22      ILE 410  11.622   7.391   7.391
   65   3HG2  ILE 410          HG21      ILE 410  13.333   6.996   6.996
   66   1HD1  ILE 410          HD13      ILE 410   9.559   5.575   5.575
   67   2HD1  ILE 410          HD12      ILE 410   9.782   6.930   6.930
   68   3HD1  ILE 410          HD11      ILE 410   8.655   5.636   5.636
   69    H    LYS 411           HN       LYS 411  13.607   2.990   2.990
   70    HA   LYS 411           HA       LYS 411  16.087   4.292   4.292
   71   1HB   LYS 411           HB2      LYS 411  14.136   2.399   2.399
   72   2HB   LYS 411           HB1      LYS 411  15.767   2.460   2.460
   73   1HG   LYS 411           HG2      LYS 411  14.577   4.058   4.058
   74   2HG   LYS 411           HG1      LYS 411  15.445   5.021   5.021
   75   1HD   LYS 411           HD2      LYS 411  13.479   5.268   5.268
   76   2HD   LYS 411           HD1      LYS 411  12.598   4.068   4.068
   77   1HE   LYS 411           HE2      LYS 411  12.921   5.618   5.618
   78   2HE   LYS 411           HE1      LYS 411  13.458   6.841   6.841
   79   1HZ   LYS 411           HZ1      LYS 411  11.293   6.392   6.392
   80   2HZ   LYS 411           HZ3      LYS 411  10.797   5.537   5.537
   81   3HZ   LYS 411           HZ2      LYS 411  11.163   7.193   7.193
   82    H    ARG 412           HN       ARG 412  15.661   2.017   2.017
   83    HA   ARG 412           HA       ARG 412  17.371  -0.061  -0.061
   84   1HB   ARG 412           HB2      ARG 412  17.801   0.035   0.035
   85   2HB   ARG 412           HB1      ARG 412  16.423  -0.743  -0.743
   86   1HG   ARG 412           HG2      ARG 412  15.106   1.161   1.161
   87   2HG   ARG 412           HG1      ARG 412  16.494   2.106   2.106
   88   1HD   ARG 412           HD2      ARG 412  15.124   1.316   1.316
   89   2HD   ARG 412           HD1      ARG 412  16.753   0.644   0.644
   90    HE   ARG 412           HE       ARG 412  14.727  -1.064  -1.064
   91   1HH1  ARG 412          HH11      ARG 412  17.383  -1.702  -1.702
   92   2HH1  ARG 412          HH12      ARG 412  16.762  -2.574  -2.574
   93   1HH2  ARG 412          HH21      ARG 412  13.461  -1.558  -1.558
   94   2HH2  ARG 412          HH22      ARG 412  14.524  -2.492  -2.492
   95    H    LEU 413           HN       LEU 413  18.066   3.163   3.163
   96    HA   LEU 413           HA       LEU 413  20.720   3.000   3.000
   97   1HB   LEU 413           HB2      LEU 413  20.011   5.245   5.245
   98   2HB   LEU 413           HB1      LEU 413  20.951   5.296   5.296
   99    HG   LEU 413           HG       LEU 413  17.926   5.141   5.141
  100   1HD1  LEU 413          HD11      LEU 413  19.847   7.135   7.135
  101   2HD1  LEU 413          HD13      LEU 413  18.097   7.206   7.206
  102   3HD1  LEU 413          HD12      LEU 413  18.804   7.375   7.375
  103   1HD2  LEU 413          HD23      LEU 413  18.679   3.624   3.624
  104   2HD2  LEU 413          HD22      LEU 413  17.797   5.021   5.021
  105   3HD2  LEU 413          HD21      LEU 413  19.557   4.971   4.971
  106    H    LEU 414           HN       LEU 414  19.431   2.653   2.653
  107    HA   LEU 414           HA       LEU 414  21.919   2.852   2.852
  108   1HB   LEU 414           HB2      LEU 414  19.161   2.705   2.705
  109   2HB   LEU 414           HB1      LEU 414  19.883   1.286   1.286
  110    HG   LEU 414           HG       LEU 414  19.898   3.156   3.156
  111   1HD1  LEU 414          HD12      LEU 414  22.014   1.541   1.541
  112   2HD1  LEU 414          HD11      LEU 414  22.774   3.105   3.105
  113   3HD1  LEU 414          HD13      LEU 414  22.013   2.774   2.774
  114   1HD2  LEU 414          HD21      LEU 414  19.977   4.860   4.860
  115   2HD2  LEU 414          HD23      LEU 414  20.869   5.259   5.259
  116   3HD2  LEU 414          HD22      LEU 414  21.727   4.645   4.645
  117    H    SER 415           HN       SER 415  20.355   0.278   0.278
  118    HA   SER 415           HA       SER 415  21.969  -1.817  -1.817
  119   1HB   SER 415           HB2      SER 415  19.494  -2.055  -2.055
  120   2HB   SER 415           HB1      SER 415  20.123  -2.232  -2.232
  121    HG   SER 415           HG       SER 415  20.861  -3.813  -3.813
  122    H    GLU 416           HN       GLU 416  24.087  -1.800  -1.800
  123    HA   GLU 416           HA       GLU 416  24.824  -1.077  -1.077
  124   1HB   GLU 416           HB2      GLU 416  26.204  -0.737  -0.737
  125   2HB   GLU 416           HB1      GLU 416  26.744  -2.386  -2.386
  126   1HG   GLU 416           HG2      GLU 416  26.970  -0.070  -0.070
  127   2HG   GLU 416           HG1      GLU 416  28.296  -0.717  -0.717
  128    H    LYS 417           HN       LYS 417  23.461  -2.752  -2.752
  129    HA   LYS 417           HA       LYS 417  24.539  -5.521  -5.521
  130   1HB   LYS 417           HB2      LYS 417  21.977  -4.573  -4.573
  131   2HB   LYS 417           HB1      LYS 417  22.046  -5.047  -5.047
  132   1HG   LYS 417           HG2      LYS 417  21.916  -7.231  -7.231
  133   2HG   LYS 417           HG1      LYS 417  23.282  -7.083  -7.083
  134   1HD   LYS 417           HD2      LYS 417  21.299  -7.805  -7.805
  135   2HD   LYS 417           HD1      LYS 417  21.750  -6.175  -6.175
  136   1HE   LYS 417           HE2      LYS 417  20.062  -5.448  -5.448
  137   2HE   LYS 417           HE1      LYS 417  19.411  -7.070  -7.070
  138   1HZ   LYS 417           HZ2      LYS 417  19.172  -6.573  -6.573
  139   2HZ   LYS 417           HZ1      LYS 417  19.772  -4.991  -4.991
  140   3HZ   LYS 417           HZ3      LYS 417  18.290  -5.473  -5.473
  141    H    LYS 418           HN       LYS 418  25.970  -3.493  -3.493
  142    HA   LYS 418           HA       LYS 418  25.711  -4.687  -4.687
  143   1HB   LYS 418           HB2      LYS 418  24.894  -2.215  -2.215
  144   2HB   LYS 418           HB1      LYS 418  26.617  -1.844  -1.844
  145   1HG   LYS 418           HG2      LYS 418  26.590  -3.399  -3.399
  146   2HG   LYS 418           HG1      LYS 418  24.951  -2.755  -2.755
  147   1HD   LYS 418           HD2      LYS 418  26.280  -1.199  -1.199
  148   2HD   LYS 418           HD1      LYS 418  26.014  -0.439  -0.439
  149   1HE   LYS 418           HE2      LYS 418  28.206  -1.004  -1.004
  150   2HE   LYS 418           HE1      LYS 418  28.455  -2.137  -2.137
  151   1HZ   LYS 418           HZ3      LYS 418  28.042   0.781   0.781
  152   2HZ   LYS 418           HZ2      LYS 418  29.579   0.076   0.076
  153   3HZ   LYS 418           HZ1      LYS 418  28.573  -0.362  -0.362
  154    H    THR 419           HN       THR 419  27.409  -5.713  -5.713
  155    HA   THR 419           HA       THR 419  29.635  -6.127  -6.127
  156    HB   THR 419           HB       THR 419  29.377  -7.529  -7.529
  157    HG1  THR 419           HG1      THR 419  31.832  -6.137  -6.137
  158   1HG2  THR 419          HG22      THR 419  29.978  -5.039  -5.039
  159   2HG2  THR 419          HG21      THR 419  30.044  -6.663  -6.663
  160   3HG2  THR 419          HG23      THR 419  28.523  -6.034  -6.034
  161   1HN   NH2 420           HX1      THR 419  31.297  -3.040  -3.040
  162   2HN   NH2 420           HX2      THR 419  29.757  -3.594  -3.594

  Start of MODEL   21
    1   1H    ACE 402           HA1      ACE 402   9.466  -6.685  -6.685
    2   2H    ACE 402           HA2      ACE 402   9.964  -5.347  -5.347
    3   3H    ACE 402           HA3      ACE 402  10.966  -6.789  -6.789
    4    H    GLN 403           HN       GLN 403   7.463  -6.983  -6.983
    5    HA   GLN 403           HA       GLN 403   7.605  -8.523  -8.523
    6   1HB   GLN 403           HB2      GLN 403   5.964  -9.153  -9.153
    7   2HB   GLN 403           HB1      GLN 403   5.184  -7.585  -7.585
    8   1HG   GLN 403           HG2      GLN 403   5.559  -9.159  -9.159
    9   2HG   GLN 403           HG1      GLN 403   4.407  -9.822  -9.822
   10   1HE2  GLN 403          HE22      GLN 403   3.381  -6.546  -6.546
   11   2HE2  GLN 403          HE21      GLN 403   4.865  -7.329  -7.329
   12    H    ALA 404           HN       ALA 404   6.294  -5.613  -5.613
   13    HA   ALA 404           HA       ALA 404   5.385  -4.318  -4.318
   14   1HB   ALA 404           HB1      ALA 404   4.843  -3.815  -3.815
   15   2HB   ALA 404           HB3      ALA 404   6.425  -3.057  -3.057
   16   3HB   ALA 404           HB2      ALA 404   5.215  -2.399  -2.399
   17    H    GLU 405           HN       GLU 405   6.525  -2.476  -2.476
   18    HA   GLU 405           HA       GLU 405   9.462  -2.735  -2.735
   19   1HB   GLU 405           HB2      GLU 405   8.032  -2.340  -2.340
   20   2HB   GLU 405           HB1      GLU 405   7.902  -0.679  -0.679
   21   1HG   GLU 405           HG2      GLU 405   9.775  -0.869  -0.869
   22   2HG   GLU 405           HG1      GLU 405  10.387  -0.513  -0.513
   23    H    ARG 406           HN       ARG 406   7.957  -1.735  -1.735
   24    HA   ARG 406           HA       ARG 406   8.736   1.093   1.093
   25   1HB   ARG 406           HB2      ARG 406   6.443   0.485   0.485
   26   2HB   ARG 406           HB1      ARG 406   7.065  -0.638  -0.638
   27   1HG   ARG 406           HG2      ARG 406   6.416   1.452   1.452
   28   2HG   ARG 406           HG1      ARG 406   8.161   1.250   1.250
   29   1HD   ARG 406           HD2      ARG 406   7.053   2.741   2.741
   30   2HD   ARG 406           HD1      ARG 406   7.049   3.559   3.559
   31    HE   ARG 406           HE       ARG 406   9.655   2.489   2.489
   32   1HH1  ARG 406          HH21      ARG 406   8.972   3.336   3.336
   33   2HH1  ARG 406          HH22      ARG 406   9.620   4.941   4.941
   34   1HH2  ARG 406          HH11      ARG 406   9.836   5.169   5.169
   35   2HH2  ARG 406          HH12      ARG 406  10.100   5.997   5.997
   36    H    MET 407           HN       MET 407   8.944  -1.833  -1.833
   37    HA   MET 407           HA       MET 407  11.040  -0.887  -0.887
   38   1HB   MET 407           HB2      MET 407  10.261  -3.742  -3.742
   39   2HB   MET 407           HB1      MET 407  11.321  -3.256  -3.256
   40   1HG   MET 407           HG2      MET 407   9.590  -2.593  -2.593
   41   2HG   MET 407           HG1      MET 407   8.742  -1.827  -1.827
   42   1HE   MET 407           HE3      MET 407   8.571  -3.989  -3.989
   43   2HE   MET 407           HE2      MET 407   6.999  -4.707  -4.707
   44   3HE   MET 407           HE1      MET 407   7.213  -2.969  -2.969
   45    H    SER 408           HN       SER 408  11.029  -2.509  -2.509
   46    HA   SER 408           HA       SER 408  13.850  -2.997  -2.997
   47   1HB   SER 408           HB2      SER 408  12.356  -4.375  -4.375
   48   2HB   SER 408           HB1      SER 408  11.678  -2.950  -2.950
   49    HG   SER 408           HG       SER 408  13.191  -3.180  -3.180
   50    H    GLN 409           HN       GLN 409  11.984  -0.200  -0.200
   51    HA   GLN 409           HA       GLN 409  13.898   1.256   1.256
   52   1HB   GLN 409           HB2      GLN 409  11.277   1.116   1.116
   53   2HB   GLN 409           HB1      GLN 409  11.333   2.445   2.445
   54   1HG   GLN 409           HG2      GLN 409  12.897   3.656   3.656
   55   2HG   GLN 409           HG1      GLN 409  12.763   2.341   2.341
   56   1HE2  GLN 409          HE22      GLN 409   9.221   3.185   3.185
   57   2HE2  GLN 409          HE21      GLN 409  10.118   1.789   1.789
   58    H    ILE 410           HN       ILE 410  13.781   0.814   0.814
   59    HA   ILE 410           HA       ILE 410  13.689   3.486   3.486
   60    HB   ILE 410           HB       ILE 410  14.767   1.017   1.017
   61   1HG1  ILE 410          HG12      ILE 410  11.951   2.030   2.030
   62   2HG1  ILE 410          HG11      ILE 410  12.603   0.464   0.464
   63   1HG2  ILE 410          HG22      ILE 410  14.976   3.509   3.509
   64   2HG2  ILE 410          HG21      ILE 410  13.272   3.279   3.279
   65   3HG2  ILE 410          HG23      ILE 410  14.491   2.217   2.217
   66   1HD1  ILE 410          HD12      ILE 410  13.104   0.696   0.696
   67   2HD1  ILE 410          HD11      ILE 410  11.458   1.285   1.285
   68   3HD1  ILE 410          HD13      ILE 410  11.901  -0.333  -0.333
   69    H    LYS 411           HN       LYS 411  16.455   1.996   1.996
   70    HA   LYS 411           HA       LYS 411  18.134   4.169   4.169
   71   1HB   LYS 411           HB2      LYS 411  18.332   2.202   2.202
   72   2HB   LYS 411           HB1      LYS 411  19.870   2.587   2.587
   73   1HG   LYS 411           HG2      LYS 411  19.499   4.144   4.144
   74   2HG   LYS 411           HG1      LYS 411  19.353   5.023   5.023
   75   1HD   LYS 411           HD2      LYS 411  17.000   5.136   5.136
   76   2HD   LYS 411           HD1      LYS 411  16.921   3.827   3.827
   77   1HE   LYS 411           HE2      LYS 411  17.995   5.259   5.259
   78   2HE   LYS 411           HE1      LYS 411  18.124   6.566   6.566
   79   1HZ   LYS 411           HZ2      LYS 411  15.517   5.333   5.333
   80   2HZ   LYS 411           HZ1      LYS 411  16.156   6.658   6.658
   81   3HZ   LYS 411           HZ3      LYS 411  15.798   6.807   6.807
   82    H    ARG 412           HN       ARG 412  17.240   2.121   2.121
   83    HA   ARG 412           HA       ARG 412  19.351   0.445   0.445
   84   1HB   ARG 412           HB2      ARG 412  16.835   1.461   1.461
   85   2HB   ARG 412           HB1      ARG 412  17.962   0.512   0.512
   86   1HG   ARG 412           HG2      ARG 412  16.717  -1.217  -1.217
   87   2HG   ARG 412           HG1      ARG 412  17.979  -1.007  -1.007
   88   1HD   ARG 412           HD2      ARG 412  16.483   0.484   0.484
   89   2HD   ARG 412           HD1      ARG 412  15.229   0.214   0.214
   90    HE   ARG 412           HE       ARG 412  14.817  -1.479  -1.479
   91   1HH1  ARG 412          HH11      ARG 412  15.797  -3.113  -3.113
   92   2HH1  ARG 412          HH12      ARG 412  16.933  -4.184  -4.184
   93   1HH2  ARG 412          HH21      ARG 412  17.163  -2.252  -2.252
   94   2HH2  ARG 412          HH22      ARG 412  17.723  -3.693  -3.693
   95    H    LEU 413           HN       LEU 413  18.676   3.769   3.769
   96    HA   LEU 413           HA       LEU 413  20.310   4.275   4.275
   97   1HB   LEU 413           HB2      LEU 413  20.049   6.454   6.454
   98   2HB   LEU 413           HB1      LEU 413  19.899   6.540   6.540
   99    HG   LEU 413           HG       LEU 413  17.808   5.577   5.577
  100   1HD1  LEU 413          HD13      LEU 413  17.870   7.838   7.838
  101   2HD1  LEU 413          HD12      LEU 413  16.496   7.425   7.425
  102   3HD1  LEU 413          HD11      LEU 413  17.993   8.006   8.006
  103   1HD2  LEU 413          HD21      LEU 413  18.056   5.143   5.143
  104   2HD2  LEU 413          HD23      LEU 413  17.308   4.120   4.120
  105   3HD2  LEU 413          HD22      LEU 413  16.462   5.549   5.549
  106    H    LEU 414           HN       LEU 414  20.945   3.999   3.999
  107    HA   LEU 414           HA       LEU 414  23.719   4.927   4.927
  108   1HB   LEU 414           HB2      LEU 414  21.688   4.666   4.666
  109   2HB   LEU 414           HB1      LEU 414  23.130   3.817   3.817
  110    HG   LEU 414           HG       LEU 414  23.203   6.139   6.139
  111   1HD1  LEU 414          HD11      LEU 414  25.315   4.959   4.959
  112   2HD1  LEU 414          HD13      LEU 414  25.137   6.017   6.017
  113   3HD1  LEU 414          HD12      LEU 414  25.381   6.709   6.709
  114   1HD2  LEU 414          HD23      LEU 414  22.905   6.817   6.817
  115   2HD2  LEU 414          HD22      LEU 414  21.722   7.121   7.121
  116   3HD2  LEU 414          HD21      LEU 414  23.258   7.986   7.986
  117    H    SER 415           HN       SER 415  21.979   1.950   1.950
  118    HA   SER 415           HA       SER 415  24.494   0.416   0.416
  119   1HB   SER 415           HB2      SER 415  21.673  -0.034  -0.034
  120   2HB   SER 415           HB1      SER 415  22.625  -1.464  -1.464
  121    HG   SER 415           HG       SER 415  23.391   0.611   0.611
  122    H    GLU 416           HN       GLU 416  24.812   0.979   0.979
  123    HA   GLU 416           HA       GLU 416  23.249   0.049   0.049
  124   1HB   GLU 416           HB2      GLU 416  25.293   1.466   1.466
  125   2HB   GLU 416           HB1      GLU 416  26.284   0.056   0.056
  126   1HG   GLU 416           HG2      GLU 416  24.666  -0.882  -0.882
  127   2HG   GLU 416           HG1      GLU 416  24.924   0.801   0.801
  128    H    LYS 417           HN       LYS 417  25.682  -1.786  -1.786
  129    HA   LYS 417           HA       LYS 417  24.644  -4.280  -4.280
  130   1HB   LYS 417           HB2      LYS 417  27.068  -3.345  -3.345
  131   2HB   LYS 417           HB1      LYS 417  27.452  -4.136  -4.136
  132   1HG   LYS 417           HG2      LYS 417  27.458  -6.155  -6.155
  133   2HG   LYS 417           HG1      LYS 417  25.820  -5.900  -5.900
  134   1HD   LYS 417           HD2      LYS 417  27.443  -6.275  -6.275
  135   2HD   LYS 417           HD1      LYS 417  26.683  -4.688  -4.688
  136   1HE   LYS 417           HE2      LYS 417  28.863  -4.102  -4.102
  137   2HE   LYS 417           HE1      LYS 417  29.510  -5.398  -5.398
  138   1HZ   LYS 417           HZ2      LYS 417  28.649  -4.169  -4.169
  139   2HZ   LYS 417           HZ1      LYS 417  28.228  -2.866  -2.866
  140   3HZ   LYS 417           HZ3      LYS 417  29.861  -3.331  -3.331
  141    H    LYS 418           HN       LYS 418  23.526  -3.190  -3.190
  142    HA   LYS 418           HA       LYS 418  24.238  -5.337  -5.337
  143   1HB   LYS 418           HB2      LYS 418  24.989  -2.681  -2.681
  144   2HB   LYS 418           HB1      LYS 418  23.490  -2.811  -2.811
  145   1HG   LYS 418           HG2      LYS 418  24.552  -5.042  -5.042
  146   2HG   LYS 418           HG1      LYS 418  26.068  -4.322  -4.322
  147   1HD   LYS 418           HD2      LYS 418  25.793  -3.690  -3.690
  148   2HD   LYS 418           HD1      LYS 418  25.448  -2.254  -2.254
  149   1HE   LYS 418           HE2      LYS 418  23.005  -3.715  -3.715
  150   2HE   LYS 418           HE1      LYS 418  23.736  -3.590  -3.590
  151   1HZ   LYS 418           HZ2      LYS 418  23.280  -1.299  -1.299
  152   2HZ   LYS 418           HZ1      LYS 418  22.314  -1.683  -1.683
  153   3HZ   LYS 418           HZ3      LYS 418  23.927  -1.206  -1.206
  154    H    THR 419           HN       THR 419  22.385  -6.497  -6.497
  155    HA   THR 419           HA       THR 419  20.150  -7.122  -7.122
  156    HB   THR 419           HB       THR 419  18.917  -6.383  -6.383
  157    HG1  THR 419           HG1      THR 419  20.105  -3.809  -3.809
  158   1HG2  THR 419          HG23      THR 419  21.379  -6.940  -6.940
  159   2HG2  THR 419          HG22      THR 419  21.555  -5.210  -5.210
  160   3HG2  THR 419          HG21      THR 419  20.401  -6.148  -6.148
  161   1HN   NH2 420           HX1      THR 419  20.866  -5.422  -5.422
  162   2HN   NH2 420           HX2      THR 419  19.585  -4.360  -4.360

  Start of MODEL   22
    1   1H    ACE 402           HA1      ACE 402  10.430  -4.603  -4.603
    2   2H    ACE 402           HA2      ACE 402  11.475  -3.797  -3.797
    3   3H    ACE 402           HA3      ACE 402  12.181  -4.753  -4.753
    4    H    GLN 403           HN       GLN 403   9.413  -6.289  -6.289
    5    HA   GLN 403           HA       GLN 403  10.927  -8.360  -8.360
    6   1HB   GLN 403           HB2      GLN 403   8.003  -8.038  -8.038
    7   2HB   GLN 403           HB1      GLN 403   8.598  -9.381  -9.381
    8   1HG   GLN 403           HG2      GLN 403   9.859 -10.281 -10.281
    9   2HG   GLN 403           HG1      GLN 403   9.835  -8.768  -8.768
   10   1HE2  GLN 403          HE22      GLN 403   6.629  -9.393  -9.393
   11   2HE2  GLN 403          HE21      GLN 403   7.794  -8.198  -8.198
   12    H    ALA 404           HN       ALA 404   8.399  -6.112  -6.112
   13    HA   ALA 404           HA       ALA 404   8.061  -6.244  -6.244
   14   1HB   ALA 404           HB1      ALA 404   6.649  -5.047  -5.047
   15   2HB   ALA 404           HB3      ALA 404   7.831  -3.752  -3.752
   16   3HB   ALA 404           HB2      ALA 404   6.853  -4.177  -4.177
   17    H    GLU 405           HN       GLU 405   8.921  -4.585  -4.585
   18    HA   GLU 405           HA       GLU 405  11.668  -3.755  -3.755
   19   1HB   GLU 405           HB2      GLU 405  10.034  -3.954  -3.954
   20   2HB   GLU 405           HB1      GLU 405  11.235  -2.668  -2.668
   21   1HG   GLU 405           HG2      GLU 405  12.751  -4.686  -4.686
   22   2HG   GLU 405           HG1      GLU 405  11.618  -5.621  -5.621
   23    H    ARG 406           HN       ARG 406   9.196  -2.550  -2.550
   24    HA   ARG 406           HA       ARG 406   9.348   0.211   0.211
   25   1HB   ARG 406           HB2      ARG 406   7.170  -0.890  -0.890
   26   2HB   ARG 406           HB1      ARG 406   7.344  -1.081  -1.081
   27   1HG   ARG 406           HG2      ARG 406   6.019   0.892   0.892
   28   2HG   ARG 406           HG1      ARG 406   7.605   1.404   1.404
   29   1HD   ARG 406           HD2      ARG 406   7.008   1.166   1.166
   30   2HD   ARG 406           HD1      ARG 406   6.564   2.622   2.622
   31    HE   ARG 406           HE       ARG 406   9.206   2.417   2.417
   32   1HH1  ARG 406          HH21      ARG 406  10.038   0.764   0.764
   33   2HH1  ARG 406          HH22      ARG 406  10.242   1.884   1.884
   34   1HH2  ARG 406          HH11      ARG 406   8.400   4.413   4.413
   35   2HH2  ARG 406          HH12      ARG 406   9.311   3.963   3.963
   36    H    MET 407           HN       MET 407   8.796  -1.221  -1.221
   37    HA   MET 407           HA       MET 407  10.019   0.995   0.995
   38   1HB   MET 407           HB2      MET 407   9.686  -0.209  -0.209
   39   2HB   MET 407           HB1      MET 407   8.270  -0.479  -0.479
   40   1HG   MET 407           HG2      MET 407   9.916  -2.577  -2.577
   41   2HG   MET 407           HG1      MET 407  10.266  -2.400  -2.400
   42   1HE   MET 407           HE1      MET 407   8.511  -3.931  -3.931
   43   2HE   MET 407           HE3      MET 407   6.851  -4.309  -4.309
   44   3HE   MET 407           HE2      MET 407   7.255  -2.702  -2.702
   45    H    SER 408           HN       SER 408  11.225  -1.990  -1.990
   46    HA   SER 408           HA       SER 408  13.827  -1.833  -1.833
   47   1HB   SER 408           HB2      SER 408  12.384  -3.793  -3.793
   48   2HB   SER 408           HB1      SER 408  13.657  -3.366  -3.366
   49    HG   SER 408           HG       SER 408  13.878  -4.983  -4.983
   50    H    GLN 409           HN       GLN 409  12.366  -0.016  -0.016
   51    HA   GLN 409           HA       GLN 409  14.802   0.508   0.508
   52   1HB   GLN 409           HB2      GLN 409  12.465  -0.137  -0.137
   53   2HB   GLN 409           HB1      GLN 409  12.091   1.558   1.558
   54   1HG   GLN 409           HG2      GLN 409  12.948   1.722   1.722
   55   2HG   GLN 409           HG1      GLN 409  14.458   1.868   1.868
   56   1HE2  GLN 409          HE22      GLN 409  13.667  -1.791  -1.791
   57   2HE2  GLN 409          HE21      GLN 409  12.358  -0.871  -0.871
   58    H    ILE 410           HN       ILE 410  13.306   1.945   1.945
   59    HA   ILE 410           HA       ILE 410  13.337   4.698   4.698
   60    HB   ILE 410           HB       ILE 410  13.185   3.614   3.614
   61   1HG1  ILE 410          HG12      ILE 410  11.070   3.908   3.908
   62   2HG1  ILE 410          HG11      ILE 410  11.517   2.453   2.453
   63   1HG2  ILE 410          HG22      ILE 410  13.431   6.173   6.173
   64   2HG2  ILE 410          HG21      ILE 410  11.683   5.978   5.978
   65   3HG2  ILE 410          HG23      ILE 410  12.483   5.712   5.712
   66   1HD1  ILE 410          HD11      ILE 410  10.796   3.770   3.770
   67   2HD1  ILE 410          HD13      ILE 410   9.957   4.833   4.833
   68   3HD1  ILE 410          HD12      ILE 410   9.533   3.123   3.123
   69    H    LYS 411           HN       LYS 411  14.922   4.386   4.386
   70    HA   LYS 411           HA       LYS 411  17.270   5.794   5.794
   71   1HB   LYS 411           HB2      LYS 411  16.147   5.224   5.224
   72   2HB   LYS 411           HB1      LYS 411  17.903   5.343   5.343
   73   1HG   LYS 411           HG2      LYS 411  17.021   7.559   7.559
   74   2HG   LYS 411           HG1      LYS 411  17.644   7.525   7.525
   75   1HD   LYS 411           HD2      LYS 411  15.364   7.140   7.140
   76   2HD   LYS 411           HD1      LYS 411  14.734   7.148   7.148
   77   1HE   LYS 411           HE2      LYS 411  15.307   9.459   9.459
   78   2HE   LYS 411           HE1      LYS 411  16.260   9.484   9.484
   79   1HZ   LYS 411           HZ3      LYS 411  14.207   9.045   9.045
   80   2HZ   LYS 411           HZ2      LYS 411  13.310   9.104   9.104
   81   3HZ   LYS 411           HZ1      LYS 411  14.108  10.494  10.494
   82    H    ARG 412           HN       ARG 412  17.214   3.245   3.245
   83    HA   ARG 412           HA       ARG 412  19.144   1.558   1.558
   84   1HB   ARG 412           HB2      ARG 412  17.243   1.289   1.289
   85   2HB   ARG 412           HB1      ARG 412  18.449   0.078   0.078
   86   1HG   ARG 412           HG2      ARG 412  16.842  -0.717  -0.717
   87   2HG   ARG 412           HG1      ARG 412  17.542   0.527   0.527
   88   1HD   ARG 412           HD2      ARG 412  15.852   2.132   2.132
   89   2HD   ARG 412           HD1      ARG 412  15.093   0.806   0.806
   90    HE   ARG 412           HE       ARG 412  13.951   0.576   0.576
   91   1HH1  ARG 412          HH11      ARG 412  16.039  -1.314  -1.314
   92   2HH1  ARG 412          HH12      ARG 412  16.573  -0.641  -0.641
   93   1HH2  ARG 412          HH21      ARG 412  15.172   2.480   2.480
   94   2HH2  ARG 412          HH22      ARG 412  16.076   1.533   1.533
   95    H    LEU 413           HN       LEU 413  19.500   4.188   4.188
   96    HA   LEU 413           HA       LEU 413  21.466   3.156   3.156
   97   1HB   LEU 413           HB2      LEU 413  21.119   6.104   6.104
   98   2HB   LEU 413           HB1      LEU 413  21.302   5.161   5.161
   99    HG   LEU 413           HG       LEU 413  18.765   5.517   5.517
  100   1HD1  LEU 413          HD13      LEU 413  19.537   7.281   7.281
  101   2HD1  LEU 413          HD12      LEU 413  19.224   6.074   6.074
  102   3HD1  LEU 413          HD11      LEU 413  17.908   6.640   6.640
  103   1HD2  LEU 413          HD22      LEU 413  19.540   3.366   3.366
  104   2HD2  LEU 413          HD21      LEU 413  18.240   3.414   3.414
  105   3HD2  LEU 413          HD23      LEU 413  18.010   4.146   4.146
  106    H    LEU 414           HN       LEU 414  21.727   3.577   3.577
  107    HA   LEU 414           HA       LEU 414  24.257   5.085   5.085
  108   1HB   LEU 414           HB2      LEU 414  22.035   4.562   4.562
  109   2HB   LEU 414           HB1      LEU 414  23.524   4.043   4.043
  110    HG   LEU 414           HG       LEU 414  23.051   6.388   6.388
  111   1HD1  LEU 414          HD13      LEU 414  25.456   5.535   5.535
  112   2HD1  LEU 414          HD12      LEU 414  25.297   6.525   6.525
  113   3HD1  LEU 414          HD11      LEU 414  25.183   7.272   7.272
  114   1HD2  LEU 414          HD22      LEU 414  23.083   6.781   6.781
  115   2HD2  LEU 414          HD21      LEU 414  21.694   6.970   6.970
  116   3HD2  LEU 414          HD23      LEU 414  23.052   8.090   8.090
  117    H    SER 415           HN       SER 415  22.933   1.913   1.913
  118    HA   SER 415           HA       SER 415  25.694   0.818   0.818
  119   1HB   SER 415           HB2      SER 415  23.909   0.518   0.518
  120   2HB   SER 415           HB1      SER 415  23.123  -0.607  -0.607
  121    HG   SER 415           HG       SER 415  25.408  -0.908  -0.908
  122    H    GLU 416           HN       GLU 416  25.500  -1.785  -1.785
  123    HA   GLU 416           HA       GLU 416  24.647  -1.817  -1.817
  124   1HB   GLU 416           HB2      GLU 416  26.412  -3.473  -3.473
  125   2HB   GLU 416           HB1      GLU 416  27.086  -2.037  -2.037
  126   1HG   GLU 416           HG2      GLU 416  26.147  -4.147  -4.147
  127   2HG   GLU 416           HG1      GLU 416  27.542  -4.579  -4.579
  128    H    LYS 417           HN       LYS 417  22.714  -2.406  -2.406
  129    HA   LYS 417           HA       LYS 417  22.300  -5.338  -5.338
  130   1HB   LYS 417           HB2      LYS 417  22.565  -4.144  -4.144
  131   2HB   LYS 417           HB1      LYS 417  20.854  -3.827  -3.827
  132   1HG   LYS 417           HG2      LYS 417  21.957  -6.602  -6.602
  133   2HG   LYS 417           HG1      LYS 417  21.567  -6.039  -6.039
  134   1HD   LYS 417           HD2      LYS 417  19.615  -5.998  -5.998
  135   2HD   LYS 417           HD1      LYS 417  19.682  -7.274  -7.274
  136   1HE   LYS 417           HE2      LYS 417  18.469  -6.044  -6.044
  137   2HE   LYS 417           HE1      LYS 417  19.598  -4.697  -4.697
  138   1HZ   LYS 417           HZ1      LYS 417  18.454  -4.113  -4.113
  139   2HZ   LYS 417           HZ3      LYS 417  17.269  -5.277  -5.277
  140   3HZ   LYS 417           HZ2      LYS 417  17.489  -3.929  -3.929
  141    H    LYS 418           HN       LYS 418  21.411  -4.620  -4.620
  142    HA   LYS 418           HA       LYS 418  18.481  -4.299  -4.299
  143   1HB   LYS 418           HB2      LYS 418  19.517  -1.947  -1.947
  144   2HB   LYS 418           HB1      LYS 418  20.044  -2.251  -2.251
  145   1HG   LYS 418           HG2      LYS 418  17.608  -2.791  -2.791
  146   2HG   LYS 418           HG1      LYS 418  17.196  -2.191  -2.191
  147   1HD   LYS 418           HD2      LYS 418  16.904  -0.353  -0.353
  148   2HD   LYS 418           HD1      LYS 418  18.367  -0.028  -0.028
  149   1HE   LYS 418           HE2      LYS 418  19.036   0.436   0.436
  150   2HE   LYS 418           HE1      LYS 418  19.606  -1.213  -1.213
  151   1HZ   LYS 418           HZ2      LYS 418  16.889  -0.753  -0.753
  152   2HZ   LYS 418           HZ1      LYS 418  18.249  -0.599  -0.599
  153   3HZ   LYS 418           HZ3      LYS 418  17.949  -2.086  -2.086
  154    H    THR 419           HN       THR 419  17.437  -4.685  -4.685
  155    HA   THR 419           HA       THR 419  19.056  -6.104  -6.104
  156    HB   THR 419           HB       THR 419  17.765  -7.713  -7.713
  157    HG1  THR 419           HG1      THR 419  16.745  -8.606  -8.606
  158   1HG2  THR 419          HG23      THR 419  15.602  -5.629  -5.629
  159   2HG2  THR 419          HG22      THR 419  15.180  -7.317  -7.317
  160   3HG2  THR 419          HG21      THR 419  16.218  -6.471  -6.471
  161   1HN   NH2 420           HX1      THR 419  16.096  -6.038  -6.038
  162   2HN   NH2 420           HX2      THR 419  15.626  -4.406  -4.406

  Start of MODEL   23
    1   1H    ACE 402           HA1      ACE 402   5.758  -1.112  -1.112
    2   2H    ACE 402           HA2      ACE 402   5.871  -1.257  -1.257
    3   3H    ACE 402           HA3      ACE 402   4.291  -1.145  -1.145
    4    H    GLN 403           HN       GLN 403   3.456  -2.994  -2.994
    5    HA   GLN 403           HA       GLN 403   4.515  -5.568  -5.568
    6   1HB   GLN 403           HB2      GLN 403   2.025  -5.001  -5.001
    7   2HB   GLN 403           HB1      GLN 403   2.230  -5.163  -5.163
    8   1HG   GLN 403           HG2      GLN 403   3.316  -7.387  -7.387
    9   2HG   GLN 403           HG1      GLN 403   1.561  -7.242  -7.242
   10   1HE2  GLN 403          HE22      GLN 403   3.533  -8.551  -8.551
   11   2HE2  GLN 403          HE21      GLN 403   4.396  -8.101  -8.101
   12    H    ALA 404           HN       ALA 404   3.852  -3.865  -3.865
   13    HA   ALA 404           HA       ALA 404   4.792  -5.390  -5.390
   14   1HB   ALA 404           HB3      ALA 404   5.117  -2.414  -2.414
   15   2HB   ALA 404           HB2      ALA 404   5.190  -3.166  -3.166
   16   3HB   ALA 404           HB1      ALA 404   3.674  -3.162  -3.162
   17    H    GLU 405           HN       GLU 405   6.798  -5.211  -5.211
   18    HA   GLU 405           HA       GLU 405   9.211  -4.878  -4.878
   19   1HB   GLU 405           HB2      GLU 405  10.423  -5.668  -5.668
   20   2HB   GLU 405           HB1      GLU 405   9.086  -6.754  -6.754
   21   1HG   GLU 405           HG2      GLU 405   8.355  -4.563  -4.563
   22   2HG   GLU 405           HG1      GLU 405   9.591  -5.643  -5.643
   23    H    ARG 406           HN       ARG 406   7.419  -2.503  -2.503
   24    HA   ARG 406           HA       ARG 406   8.946  -0.865  -0.865
   25   1HB   ARG 406           HB2      ARG 406   6.425  -0.998  -0.998
   26   2HB   ARG 406           HB1      ARG 406   6.429  -0.152  -0.152
   27   1HG   ARG 406           HG2      ARG 406   6.141   1.513   1.513
   28   2HG   ARG 406           HG1      ARG 406   7.784   1.658   1.658
   29   1HD   ARG 406           HD2      ARG 406   7.526  -0.232  -0.232
   30   2HD   ARG 406           HD1      ARG 406   7.082   1.420   1.420
   31    HE   ARG 406           HE       ARG 406   9.768   0.505   0.505
   32   1HH1  ARG 406          HH11      ARG 406  10.034   1.981   1.981
   33   2HH1  ARG 406          HH12      ARG 406  10.253   3.628   3.628
   34   1HH2  ARG 406          HH21      ARG 406   9.042   3.066   3.066
   35   2HH2  ARG 406          HH22      ARG 406   9.690   4.247   4.247
   36    H    MET 407           HN       MET 407   7.812  -0.814  -0.814
   37    HA   MET 407           HA       MET 407   9.354   1.516   1.516
   38   1HB   MET 407           HB2      MET 407   7.823   1.352   1.352
   39   2HB   MET 407           HB1      MET 407   7.476  -0.309  -0.309
   40   1HG   MET 407           HG2      MET 407  10.038  -0.116  -0.116
   41   2HG   MET 407           HG1      MET 407   8.790   0.701   0.701
   42   1HE   MET 407           HE1      MET 407   8.151  -2.003  -2.003
   43   2HE   MET 407           HE3      MET 407   9.599  -2.767  -2.767
   44   3HE   MET 407           HE2      MET 407   8.022  -3.508  -3.508
   45    H    SER 408           HN       SER 408   9.976  -1.851  -1.851
   46    HA   SER 408           HA       SER 408  12.527  -1.767  -1.767
   47   1HB   SER 408           HB2      SER 408  11.097  -3.868  -3.868
   48   2HB   SER 408           HB1      SER 408  11.615  -3.928  -3.928
   49    HG   SER 408           HG       SER 408  13.785  -4.014  -4.014
   50    H    GLN 409           HN       GLN 409  11.566  -0.571  -0.571
   51    HA   GLN 409           HA       GLN 409  14.114  -1.010  -1.010
   52   1HB   GLN 409           HB2      GLN 409  11.828  -1.546  -1.546
   53   2HB   GLN 409           HB1      GLN 409  11.622   0.195   0.195
   54   1HG   GLN 409           HG2      GLN 409  13.598   0.356   0.356
   55   2HG   GLN 409           HG1      GLN 409  13.936  -1.360  -1.360
   56   1HE2  GLN 409          HE22      GLN 409  11.940  -2.131  -2.131
   57   2HE2  GLN 409          HE21      GLN 409  13.358  -2.437  -2.437
   58    H    ILE 410           HN       ILE 410  12.868   1.379   1.379
   59    HA   ILE 410           HA       ILE 410  13.472   3.754   3.754
   60    HB   ILE 410           HB       ILE 410  13.083   3.469   3.469
   61   1HG1  ILE 410          HG12      ILE 410  11.088   3.639   3.639
   62   2HG1  ILE 410          HG11      ILE 410  11.227   2.383   2.383
   63   1HG2  ILE 410          HG21      ILE 410  13.915   5.639   5.639
   64   2HG2  ILE 410          HG23      ILE 410  12.237   5.750   5.750
   65   3HG2  ILE 410          HG22      ILE 410  12.623   5.751   5.751
   66   1HD1  ILE 410          HD13      ILE 410  10.649   4.058   4.058
   67   2HD1  ILE 410          HD12      ILE 410  10.386   5.257   5.257
   68   3HD1  ILE 410          HD11      ILE 410   9.353   3.832   3.832
   69    H    LYS 411           HN       LYS 411  14.946   3.942   3.942
   70    HA   LYS 411           HA       LYS 411  17.543   4.523   4.523
   71   1HB   LYS 411           HB2      LYS 411  16.324   4.917   4.917
   72   2HB   LYS 411           HB1      LYS 411  18.074   4.721   4.721
   73   1HG   LYS 411           HG2      LYS 411  17.563   7.083   7.083
   74   2HG   LYS 411           HG1      LYS 411  18.195   6.501   6.501
   75   1HD   LYS 411           HD2      LYS 411  16.003   6.398   6.398
   76   2HD   LYS 411           HD1      LYS 411  15.229   6.632   6.632
   77   1HE   LYS 411           HE2      LYS 411  16.184   8.902   8.902
   78   2HE   LYS 411           HE1      LYS 411  16.969   8.673   8.673
   79   1HZ   LYS 411           HZ3      LYS 411  14.028   8.529   8.529
   80   2HZ   LYS 411           HZ2      LYS 411  14.845   9.888   9.888
   81   3HZ   LYS 411           HZ1      LYS 411  14.825   8.439   8.439
   82    H    ARG 412           HN       ARG 412  16.956   1.809   1.809
   83    HA   ARG 412           HA       ARG 412  18.487   0.227   0.227
   84   1HB   ARG 412           HB2      ARG 412  16.583  -0.313  -0.313
   85   2HB   ARG 412           HB1      ARG 412  17.507  -1.577  -1.577
   86   1HG   ARG 412           HG2      ARG 412  15.756  -1.581  -1.581
   87   2HG   ARG 412           HG1      ARG 412  16.690  -0.250  -0.250
   88   1HD   ARG 412           HD2      ARG 412  15.388   1.331   1.331
   89   2HD   ARG 412           HD1      ARG 412  14.420   0.009   0.009
   90    HE   ARG 412           HE       ARG 412  13.125   0.492   0.492
   91   1HH1  ARG 412          HH11      ARG 412  14.823  -1.347  -1.347
   92   2HH1  ARG 412          HH12      ARG 412  15.343  -0.353  -0.353
   93   1HH2  ARG 412          HH21      ARG 412  14.498   2.616   2.616
   94   2HH2  ARG 412          HH22      ARG 412  15.157   1.912   1.912
   95    H    LEU 413           HN       LEU 413  19.379   2.087   2.087
   96    HA   LEU 413           HA       LEU 413  21.094   0.177   0.177
   97   1HB   LEU 413           HB2      LEU 413  21.311   3.130   3.130
   98   2HB   LEU 413           HB1      LEU 413  21.438   1.810   1.810
   99    HG   LEU 413           HG       LEU 413  18.916   3.034   3.034
  100   1HD1  LEU 413          HD11      LEU 413  20.043   2.639   2.639
  101   2HD1  LEU 413          HD13      LEU 413  18.364   3.093   3.093
  102   3HD1  LEU 413          HD12      LEU 413  19.668   4.157   4.157
  103   1HD2  LEU 413          HD21      LEU 413  19.382   0.272   0.272
  104   2HD2  LEU 413          HD23      LEU 413  18.075   0.922   0.922
  105   3HD2  LEU 413          HD22      LEU 413  18.020   1.088   1.088
  106    H    LEU 414           HN       LEU 414  21.433   1.329   1.329
  107    HA   LEU 414           HA       LEU 414  24.200   2.324   2.324
  108   1HB   LEU 414           HB2      LEU 414  21.925   2.705   2.705
  109   2HB   LEU 414           HB1      LEU 414  23.264   2.095   2.095
  110    HG   LEU 414           HG       LEU 414  23.292   4.553   4.553
  111   1HD1  LEU 414          HD13      LEU 414  25.460   3.063   3.063
  112   2HD1  LEU 414          HD12      LEU 414  25.544   3.813   3.813
  113   3HD1  LEU 414          HD11      LEU 414  25.567   4.816   4.816
  114   1HD2  LEU 414          HD21      LEU 414  22.185   4.438   4.438
  115   2HD2  LEU 414          HD23      LEU 414  23.179   5.818   5.818
  116   3HD2  LEU 414          HD22      LEU 414  23.860   4.536   4.536
  117    H    SER 415           HN       SER 415  22.299  -0.181  -0.181
  118    HA   SER 415           HA       SER 415  24.806  -1.659  -1.659
  119   1HB   SER 415           HB2      SER 415  22.921  -1.217  -1.217
  120   2HB   SER 415           HB1      SER 415  22.016  -2.458  -2.458
  121    HG   SER 415           HG       SER 415  23.152  -3.518  -3.518
  122    H    GLU 416           HN       GLU 416  24.523  -4.154  -4.154
  123    HA   GLU 416           HA       GLU 416  24.374  -6.084  -6.084
  124   1HB   GLU 416           HB2      GLU 416  22.272  -6.643  -6.643
  125   2HB   GLU 416           HB1      GLU 416  21.847  -5.032  -5.032
  126   1HG   GLU 416           HG2      GLU 416  22.056  -4.195  -4.195
  127   2HG   GLU 416           HG1      GLU 416  22.430  -5.836  -5.836
  128    H    LYS 417           HN       LYS 417  23.974  -3.240  -3.240
  129    HA   LYS 417           HA       LYS 417  25.984  -4.500  -4.500
  130   1HB   LYS 417           HB2      LYS 417  23.374  -4.099  -4.099
  131   2HB   LYS 417           HB1      LYS 417  24.126  -2.626  -2.626
  132   1HG   LYS 417           HG2      LYS 417  24.884  -5.475  -5.475
  133   2HG   LYS 417           HG1      LYS 417  24.122  -4.291  -4.291
  134   1HD   LYS 417           HD2      LYS 417  26.908  -4.014  -4.014
  135   2HD   LYS 417           HD1      LYS 417  26.562  -4.550  -4.550
  136   1HE   LYS 417           HE2      LYS 417  25.906  -2.450  -2.450
  137   2HE   LYS 417           HE1      LYS 417  25.381  -1.952  -1.952
  138   1HZ   LYS 417           HZ1      LYS 417  28.228  -2.365  -2.365
  139   2HZ   LYS 417           HZ3      LYS 417  27.457  -0.845  -0.845
  140   3HZ   LYS 417           HZ2      LYS 417  27.656  -1.749  -1.749
  141    H    LYS 418           HN       LYS 418  24.542  -1.474  -1.474
  142    HA   LYS 418           HA       LYS 418  25.409   0.672   0.672
  143   1HB   LYS 418           HB2      LYS 418  27.190  -0.770  -0.770
  144   2HB   LYS 418           HB1      LYS 418  28.182  -0.503  -0.503
  145   1HG   LYS 418           HG2      LYS 418  27.296   2.049   2.049
  146   2HG   LYS 418           HG1      LYS 418  27.441   1.381   1.381
  147   1HD   LYS 418           HD2      LYS 418  29.584   2.309   2.309
  148   2HD   LYS 418           HD1      LYS 418  29.778   0.572   0.572
  149   1HE   LYS 418           HE2      LYS 418  30.814   1.552   1.552
  150   2HE   LYS 418           HE1      LYS 418  29.241   1.016   1.016
  151   1HZ   LYS 418           HZ2      LYS 418  28.810   3.573   3.573
  152   2HZ   LYS 418           HZ1      LYS 418  30.304   3.664   3.664
  153   3HZ   LYS 418           HZ3      LYS 418  28.931   3.102   3.102
  154    H    THR 419           HN       THR 419  24.669   1.593   1.593
  155    HA   THR 419           HA       THR 419  24.612   2.626   2.626
  156    HB   THR 419           HB       THR 419  26.621   3.883   3.883
  157    HG1  THR 419           HG1      THR 419  28.009   1.863   1.863
  158   1HG2  THR 419          HG21      THR 419  25.302   4.536   4.536
  159   2HG2  THR 419          HG23      THR 419  26.355   3.537   3.537
  160   3HG2  THR 419          HG22      THR 419  27.008   4.950   4.950
  161   1HN   NH2 420           HX1      THR 419  24.961   0.606   0.606
  162   2HN   NH2 420           HX2      THR 419  24.038   0.405   0.405

  Start of MODEL   24
    1   1H    ACE 402           HA1      ACE 402   9.642  -3.909  -3.909
    2   2H    ACE 402           HA2      ACE 402   7.968  -3.728  -3.728
    3   3H    ACE 402           HA3      ACE 402   9.286  -3.222  -3.222
    4    H    GLN 403           HN       GLN 403   7.057  -5.330  -5.330
    5    HA   GLN 403           HA       GLN 403   8.531  -7.846  -7.846
    6   1HB   GLN 403           HB2      GLN 403   5.735  -7.029  -7.029
    7   2HB   GLN 403           HB1      GLN 403   6.385  -8.654  -8.654
    8   1HG   GLN 403           HG2      GLN 403   6.851  -8.697  -8.697
    9   2HG   GLN 403           HG1      GLN 403   5.914  -7.207  -7.207
   10   1HE2  GLN 403          HE22      GLN 403   2.842  -8.934  -8.934
   11   2HE2  GLN 403          HE21      GLN 403   3.670  -7.497  -7.497
   12    H    ALA 404           HN       ALA 404   7.001  -5.469  -5.469
   13    HA   ALA 404           HA       ALA 404   7.846  -6.193  -6.193
   14   1HB   ALA 404           HB1      ALA 404   5.984  -4.593  -4.593
   15   2HB   ALA 404           HB3      ALA 404   7.242  -3.444  -3.444
   16   3HB   ALA 404           HB2      ALA 404   7.072  -3.939  -3.939
   17    H    GLU 405           HN       GLU 405   9.531  -5.013  -5.013
   18    HA   GLU 405           HA       GLU 405  11.838  -4.219  -4.219
   19   1HB   GLU 405           HB2      GLU 405  12.011  -5.616  -5.616
   20   2HB   GLU 405           HB1      GLU 405  11.677  -4.124  -4.124
   21   1HG   GLU 405           HG2      GLU 405  14.122  -4.576  -4.576
   22   2HG   GLU 405           HG1      GLU 405  13.668  -3.066  -3.066
   23    H    ARG 406           HN       ARG 406   9.308  -2.562  -2.562
   24    HA   ARG 406           HA       ARG 406  10.120  -0.077  -0.077
   25   1HB   ARG 406           HB2      ARG 406   7.878  -0.978  -0.978
   26   2HB   ARG 406           HB1      ARG 406   7.522  -0.842  -0.842
   27   1HG   ARG 406           HG2      ARG 406   6.622   1.082   1.082
   28   2HG   ARG 406           HG1      ARG 406   7.829   1.560   1.560
   29   1HD   ARG 406           HD2      ARG 406   7.925   2.595   2.595
   30   2HD   ARG 406           HD1      ARG 406   9.420   2.103   2.103
   31    HE   ARG 406           HE       ARG 406   8.111   0.160   0.160
   32   1HH1  ARG 406          HH21      ARG 406  10.686  -0.752  -0.752
   33   2HH1  ARG 406          HH22      ARG 406  11.729   0.106   0.106
   34   1HH2  ARG 406          HH11      ARG 406   9.382   2.600   2.600
   35   2HH2  ARG 406          HH12      ARG 406  10.962   2.005   2.005
   36    H    MET 407           HN       MET 407   8.856  -1.125  -1.125
   37    HA   MET 407           HA       MET 407   9.531   1.302   1.302
   38   1HB   MET 407           HB2      MET 407   8.914  -1.481  -1.481
   39   2HB   MET 407           HB1      MET 407   9.231  -0.128  -0.128
   40   1HG   MET 407           HG2      MET 407   6.863  -0.215  -0.215
   41   2HG   MET 407           HG1      MET 407   7.343   1.103   1.103
   42   1HE   MET 407           HE2      MET 407   7.076  -2.610  -2.610
   43   2HE   MET 407           HE1      MET 407   6.240  -3.174  -3.174
   44   3HE   MET 407           HE3      MET 407   7.957  -2.755  -2.755
   45    H    SER 408           HN       SER 408  11.070  -1.761  -1.761
   46    HA   SER 408           HA       SER 408  13.416  -1.276  -1.276
   47   1HB   SER 408           HB2      SER 408  12.734  -3.564  -3.564
   48   2HB   SER 408           HB1      SER 408  13.076  -3.119  -3.119
   49    HG   SER 408           HG       SER 408  15.273  -2.559  -2.559
   50    H    GLN 409           HN       GLN 409  12.400   0.095   0.095
   51    HA   GLN 409           HA       GLN 409  15.114   0.751   0.751
   52   1HB   GLN 409           HB2      GLN 409  13.195  -0.273  -0.273
   53   2HB   GLN 409           HB1      GLN 409  12.709   1.407   1.407
   54   1HG   GLN 409           HG2      GLN 409  14.622   2.008   2.008
   55   2HG   GLN 409           HG1      GLN 409  15.604   0.749   0.749
   56   1HE2  GLN 409          HE22      GLN 409  14.959  -1.589  -1.589
   57   2HE2  GLN 409          HE21      GLN 409  15.799  -1.253  -1.253
   58    H    ILE 410           HN       ILE 410  13.019   2.317   2.317
   59    HA   ILE 410           HA       ILE 410  12.930   4.922   4.922
   60    HB   ILE 410           HB       ILE 410  12.386   4.206   4.206
   61   1HG1  ILE 410          HG12      ILE 410  10.656   4.007   4.007
   62   2HG1  ILE 410          HG11      ILE 410  11.070   2.723   2.723
   63   1HG2  ILE 410          HG23      ILE 410  11.422   6.401   6.401
   64   2HG2  ILE 410          HG22      ILE 410  10.901   6.171   6.171
   65   3HG2  ILE 410          HG21      ILE 410  12.575   6.600   6.600
   66   1HD1  ILE 410          HD11      ILE 410   9.872   4.105   4.105
   67   2HD1  ILE 410          HD13      ILE 410   9.210   5.058   5.058
   68   3HD1  ILE 410          HD12      ILE 410   8.849   3.336   3.336
   69    H    LYS 411           HN       LYS 411  14.089   4.970   4.970
   70    HA   LYS 411           HA       LYS 411  16.431   6.550   6.550
   71   1HB   LYS 411           HB2      LYS 411  15.339   5.820   5.820
   72   2HB   LYS 411           HB1      LYS 411  16.798   6.778   6.778
   73   1HG   LYS 411           HG2      LYS 411  15.486   8.606   8.606
   74   2HG   LYS 411           HG1      LYS 411  14.889   7.972   7.972
   75   1HD   LYS 411           HD2      LYS 411  12.883   8.161   8.161
   76   2HD   LYS 411           HD1      LYS 411  13.328   6.525   6.525
   77   1HE   LYS 411           HE2      LYS 411  14.406   7.473   7.473
   78   2HE   LYS 411           HE1      LYS 411  13.797   9.064   9.064
   79   1HZ   LYS 411           HZ1      LYS 411  11.526   8.056   8.056
   80   2HZ   LYS 411           HZ3      LYS 411  12.191   6.647   6.647
   81   3HZ   LYS 411           HZ2      LYS 411  12.252   8.109   8.109
   82    H    ARG 412           HN       ARG 412  16.557   3.765   3.765
   83    HA   ARG 412           HA       ARG 412  18.491   2.476   2.476
   84   1HB   ARG 412           HB2      ARG 412  16.740   1.665   1.665
   85   2HB   ARG 412           HB1      ARG 412  17.959   0.615   0.615
   86   1HG   ARG 412           HG2      ARG 412  16.294   0.050   0.050
   87   2HG   ARG 412           HG1      ARG 412  16.846   1.520   1.520
   88   1HD   ARG 412           HD2      ARG 412  15.158   2.820   2.820
   89   2HD   ARG 412           HD1      ARG 412  14.597   1.367   1.367
   90    HE   ARG 412           HE       ARG 412  13.229   1.105   1.105
   91   1HH1  ARG 412          HH21      ARG 412  15.518   0.116   0.116
   92   2HH1  ARG 412          HH22      ARG 412  15.494   1.189   1.189
   93   1HH2  ARG 412          HH11      ARG 412  13.459   3.523   3.523
   94   2HH2  ARG 412          HH12      ARG 412  14.311   3.140   3.140
   95    H    LEU 413           HN       LEU 413  19.002   4.793   4.793
   96    HA   LEU 413           HA       LEU 413  20.850   3.536   3.536
   97   1HB   LEU 413           HB2      LEU 413  20.786   6.515   6.515
   98   2HB   LEU 413           HB1      LEU 413  21.068   5.633   5.633
   99    HG   LEU 413           HG       LEU 413  18.408   6.111   6.111
  100   1HD1  LEU 413          HD11      LEU 413  19.566   7.755   7.755
  101   2HD1  LEU 413          HD13      LEU 413  19.055   6.585   6.585
  102   3HD1  LEU 413          HD12      LEU 413  17.855   7.380   7.380
  103   1HD2  LEU 413          HD21      LEU 413  19.190   4.044   4.044
  104   2HD2  LEU 413          HD23      LEU 413  18.063   3.917   3.917
  105   3HD2  LEU 413          HD22      LEU 413  17.595   4.791   4.791
  106    H    LEU 414           HN       LEU 414  21.301   3.657   3.657
  107    HA   LEU 414           HA       LEU 414  23.933   4.937   4.937
  108   1HB   LEU 414           HB2      LEU 414  21.781   4.103   4.103
  109   2HB   LEU 414           HB1      LEU 414  23.395   3.800   3.800
  110    HG   LEU 414           HG       LEU 414  22.617   6.013   6.013
  111   1HD1  LEU 414          HD13      LEU 414  25.032   5.712   5.712
  112   2HD1  LEU 414          HD12      LEU 414  24.724   6.293   6.293
  113   3HD1  LEU 414          HD11      LEU 414  24.483   7.366   7.366
  114   1HD2  LEU 414          HD23      LEU 414  22.262   6.470   6.470
  115   2HD2  LEU 414          HD22      LEU 414  21.017   6.521   6.521
  116   3HD2  LEU 414          HD21      LEU 414  22.259   7.772   7.772
  117    H    SER 415           HN       SER 415  22.392   1.756   1.756
  118    HA   SER 415           HA       SER 415  25.053   0.439   0.439
  119   1HB   SER 415           HB2      SER 415  23.110  -0.034  -0.034
  120   2HB   SER 415           HB1      SER 415  22.412  -0.973  -0.973
  121    HG   SER 415           HG       SER 415  23.813  -2.203  -2.203
  122    H    GLU 416           HN       GLU 416  24.814  -1.949  -1.949
  123    HA   GLU 416           HA       GLU 416  23.887  -1.507  -1.507
  124   1HB   GLU 416           HB2      GLU 416  26.439  -1.792  -1.792
  125   2HB   GLU 416           HB1      GLU 416  26.030  -3.502  -3.502
  126   1HG   GLU 416           HG2      GLU 416  25.088  -1.960  -1.960
  127   2HG   GLU 416           HG1      GLU 416  26.793  -2.416  -2.416
  128    H    LYS 417           HN       LYS 417  21.763  -2.347  -2.347
  129    HA   LYS 417           HA       LYS 417  21.691  -5.264  -5.264
  130   1HB   LYS 417           HB2      LYS 417  20.424  -3.440  -3.440
  131   2HB   LYS 417           HB1      LYS 417  19.273  -3.489  -3.489
  132   1HG   LYS 417           HG2      LYS 417  19.640  -6.164  -6.164
  133   2HG   LYS 417           HG1      LYS 417  19.824  -5.512  -5.512
  134   1HD   LYS 417           HD2      LYS 417  17.520  -5.813  -5.813
  135   2HD   LYS 417           HD1      LYS 417  17.643  -4.147  -4.147
  136   1HE   LYS 417           HE2      LYS 417  17.409  -4.803  -4.803
  137   2HE   LYS 417           HE1      LYS 417  17.624  -6.506  -6.506
  138   1HZ   LYS 417           HZ3      LYS 417  15.546  -6.426  -6.426
  139   2HZ   LYS 417           HZ2      LYS 417  15.333  -4.781  -4.781
  140   3HZ   LYS 417           HZ1      LYS 417  15.288  -5.995  -5.995
  141    H    LYS 418           HN       LYS 418  22.434  -4.792  -4.792
  142    HA   LYS 418           HA       LYS 418  20.245  -5.998  -5.998
  143   1HB   LYS 418           HB2      LYS 418  19.854  -3.393  -3.393
  144   2HB   LYS 418           HB1      LYS 418  21.148  -3.337  -3.337
  145   1HG   LYS 418           HG2      LYS 418  19.577  -5.365  -5.365
  146   2HG   LYS 418           HG1      LYS 418  18.367  -4.306  -4.306
  147   1HD   LYS 418           HD2      LYS 418  18.654  -3.557  -3.557
  148   2HD   LYS 418           HD1      LYS 418  19.478  -2.379  -2.379
  149   1HE   LYS 418           HE2      LYS 418  20.997  -2.834  -2.834
  150   2HE   LYS 418           HE1      LYS 418  21.609  -3.752  -3.752
  151   1HZ   LYS 418           HZ1      LYS 418  19.827  -5.450  -5.450
  152   2HZ   LYS 418           HZ3      LYS 418  20.661  -4.692  -4.692
  153   3HZ   LYS 418           HZ2      LYS 418  21.531  -5.538  -5.538
  154    H    THR 419           HN       THR 419  21.745  -7.604  -7.604
  155    HA   THR 419           HA       THR 419  23.508  -8.732  -8.732
  156    HB   THR 419           HB       THR 419  23.645  -8.345  -8.345
  157    HG1  THR 419           HG1      THR 419  23.604  -5.864  -5.864
  158   1HG2  THR 419          HG21      THR 419  21.563  -9.313  -9.313
  159   2HG2  THR 419          HG23      THR 419  20.873  -7.691  -7.691
  160   3HG2  THR 419          HG22      THR 419  21.254  -8.414  -8.414
  161   1HN   NH2 420           HX1      THR 419  25.746  -8.163  -8.163
  162   2HN   NH2 420           HX2      THR 419  25.849  -6.490  -6.490

  Start of MODEL   25
    1   1H    ACE 402           HA1      ACE 402  12.356  -4.138  -4.138
    2   2H    ACE 402           HA2      ACE 402  11.173  -4.475  -4.475
    3   3H    ACE 402           HA3      ACE 402  10.743  -3.441  -3.441
    4    H    GLN 403           HN       GLN 403   9.126  -5.586  -5.586
    5    HA   GLN 403           HA       GLN 403   9.811  -7.867  -7.867
    6   1HB   GLN 403           HB2      GLN 403   8.394  -8.230  -8.230
    7   2HB   GLN 403           HB1      GLN 403   7.182  -7.144  -7.144
    8   1HG   GLN 403           HG2      GLN 403   8.104  -9.473  -9.473
    9   2HG   GLN 403           HG1      GLN 403   6.984  -9.776  -9.776
   10   1HE2  GLN 403          HE22      GLN 403   4.357  -7.778  -7.778
   11   2HE2  GLN 403          HE21      GLN 403   5.016  -8.081  -8.081
   12    H    ALA 404           HN       ALA 404   7.538  -5.283  -5.283
   13    HA   ALA 404           HA       ALA 404   6.497  -5.401  -5.401
   14   1HB   ALA 404           HB2      ALA 404   5.533  -4.089  -4.089
   15   2HB   ALA 404           HB1      ALA 404   6.874  -2.982  -2.982
   16   3HB   ALA 404           HB3      ALA 404   5.682  -3.143  -3.143
   17    H    GLU 405           HN       GLU 405   7.019  -3.551  -3.551
   18    HA   GLU 405           HA       GLU 405   9.934  -3.202  -3.202
   19   1HB   GLU 405           HB2      GLU 405   9.324  -1.867  -1.867
   20   2HB   GLU 405           HB1      GLU 405   9.117  -3.611  -3.611
   21   1HG   GLU 405           HG2      GLU 405   7.187  -2.425  -2.425
   22   2HG   GLU 405           HG1      GLU 405   6.708  -3.358  -3.358
   23    H    ARG 406           HN       ARG 406   7.968  -1.760  -1.760
   24    HA   ARG 406           HA       ARG 406   8.630   1.038   1.038
   25   1HB   ARG 406           HB2      ARG 406   6.295   0.515   0.515
   26   2HB   ARG 406           HB1      ARG 406   6.692  -0.154  -0.154
   27   1HG   ARG 406           HG2      ARG 406   5.821   2.172   2.172
   28   2HG   ARG 406           HG1      ARG 406   7.458   1.991   1.991
   29   1HD   ARG 406           HD2      ARG 406   7.322   4.053   4.053
   30   2HD   ARG 406           HD1      ARG 406   8.346   2.900   2.900
   31    HE   ARG 406           HE       ARG 406   5.800   3.951   3.951
   32   1HH1  ARG 406          HH21      ARG 406   4.656   1.652   1.652
   33   2HH1  ARG 406          HH22      ARG 406   5.546   0.863   0.863
   34   1HH2  ARG 406          HH11      ARG 406   8.388   2.833   2.833
   35   2HH2  ARG 406          HH12      ARG 406   7.657   1.517   1.517
   36    H    MET 407           HN       MET 407   8.501  -1.042  -1.042
   37    HA   MET 407           HA       MET 407  10.301   0.591   0.591
   38   1HB   MET 407           HB2      MET 407   9.537  -2.307  -2.307
   39   2HB   MET 407           HB1      MET 407  10.420  -1.342  -1.342
   40   1HG   MET 407           HG2      MET 407   8.564  -0.176  -0.176
   41   2HG   MET 407           HG1      MET 407   7.881  -0.153  -0.153
   42   1HE   MET 407           HE2      MET 407   7.178  -2.151  -2.151
   43   2HE   MET 407           HE1      MET 407   8.137  -3.497  -3.497
   44   3HE   MET 407           HE3      MET 407   6.372  -3.559  -3.559
   45    H    SER 408           HN       SER 408  10.774  -2.035  -2.035
   46    HA   SER 408           HA       SER 408  13.578  -2.403  -2.403
   47   1HB   SER 408           HB2      SER 408  11.628  -3.835  -3.835
   48   2HB   SER 408           HB1      SER 408  12.648  -3.210  -3.210
   49    HG   SER 408           HG       SER 408  13.125  -5.171  -5.171
   50    H    GLN 409           HN       GLN 409  11.868   0.071   0.071
   51    HA   GLN 409           HA       GLN 409  13.949   0.859   0.859
   52   1HB   GLN 409           HB2      GLN 409  11.431   0.554   0.554
   53   2HB   GLN 409           HB1      GLN 409  11.249   2.111   2.111
   54   1HG   GLN 409           HG2      GLN 409  12.828   3.133   3.133
   55   2HG   GLN 409           HG1      GLN 409  13.048   1.573   1.573
   56   1HE2  GLN 409          HE22      GLN 409  10.241   2.110   2.110
   57   2HE2  GLN 409          HE21      GLN 409  11.746   1.357   1.357
   58    H    ILE 410           HN       ILE 410  13.305   1.649   1.649
   59    HA   ILE 410           HA       ILE 410  13.286   4.509   4.509
   60    HB   ILE 410           HB       ILE 410  13.858   2.825   2.825
   61   1HG1  ILE 410          HG12      ILE 410  11.229   3.512   3.512
   62   2HG1  ILE 410          HG11      ILE 410  11.880   1.913   1.913
   63   1HG2  ILE 410          HG23      ILE 410  12.591   5.530   5.530
   64   2HG2  ILE 410          HG22      ILE 410  12.751   4.753   4.753
   65   3HG2  ILE 410          HG21      ILE 410  14.189   5.248   5.248
   66   1HD1  ILE 410          HD12      ILE 410  11.163   3.891   3.891
   67   2HD1  ILE 410          HD11      ILE 410  10.101   2.594   2.594
   68   3HD1  ILE 410          HD13      ILE 410  11.646   2.207   2.207
   69    H    LYS 411           HN       LYS 411  15.614   3.605   3.605
   70    HA   LYS 411           HA       LYS 411  17.613   5.233   5.233
   71   1HB   LYS 411           HB2      LYS 411  18.341   3.738   3.738
   72   2HB   LYS 411           HB1      LYS 411  18.858   5.330   5.330
   73   1HG   LYS 411           HG2      LYS 411  17.327   6.213   6.213
   74   2HG   LYS 411           HG1      LYS 411  16.058   5.521   5.521
   75   1HD   LYS 411           HD2      LYS 411  15.762   4.730   4.730
   76   2HD   LYS 411           HD1      LYS 411  16.272   3.377   3.377
   77   1HE   LYS 411           HE2      LYS 411  18.611   4.727   4.727
   78   2HE   LYS 411           HE1      LYS 411  17.525   4.360   4.360
   79   1HZ   LYS 411           HZ2      LYS 411  17.413   2.044   2.044
   80   2HZ   LYS 411           HZ1      LYS 411  18.965   2.525   2.525
   81   3HZ   LYS 411           HZ3      LYS 411  18.625   2.389   2.389
   82    H    ARG 412           HN       ARG 412  16.949   2.576   2.576
   83    HA   ARG 412           HA       ARG 412  19.000   0.731   0.731
   84   1HB   ARG 412           HB2      ARG 412  16.929   1.265   1.265
   85   2HB   ARG 412           HB1      ARG 412  18.152   0.044   0.044
   86   1HG   ARG 412           HG2      ARG 412  16.581  -1.224  -1.224
   87   2HG   ARG 412           HG1      ARG 412  17.600  -0.623  -0.623
   88   1HD   ARG 412           HD2      ARG 412  15.981   1.298   1.298
   89   2HD   ARG 412           HD1      ARG 412  14.930   0.457   0.457
   90    HE   ARG 412           HE       ARG 412  14.226  -0.476  -0.476
   91   1HH1  ARG 412          HH11      ARG 412  15.890  -2.810  -2.810
   92   2HH1  ARG 412          HH12      ARG 412  16.920  -3.021  -3.021
   93   1HH2  ARG 412          HH21      ARG 412  16.283   0.143   0.143
   94   2HH2  ARG 412          HH22      ARG 412  17.132  -1.353  -1.353
   95    H    LEU 413           HN       LEU 413  18.949   3.690   3.690
   96    HA   LEU 413           HA       LEU 413  21.013   3.264   3.264
   97   1HB   LEU 413           HB2      LEU 413  20.706   5.967   5.967
   98   2HB   LEU 413           HB1      LEU 413  20.962   5.554   5.554
   99    HG   LEU 413           HG       LEU 413  18.343   5.388   5.388
  100   1HD1  LEU 413          HD13      LEU 413  19.400   7.061   7.061
  101   2HD1  LEU 413          HD12      LEU 413  17.668   6.863   6.863
  102   3HD1  LEU 413          HD11      LEU 413  18.676   7.592   7.592
  103   1HD2  LEU 413          HD23      LEU 413  19.124   4.213   4.213
  104   2HD2  LEU 413          HD22      LEU 413  18.199   3.472   3.472
  105   3HD2  LEU 413          HD21      LEU 413  17.464   4.724   4.724
  106    H    LEU 414           HN       LEU 414  20.996   4.288   4.288
  107    HA   LEU 414           HA       LEU 414  23.932   4.447   4.447
  108   1HB   LEU 414           HB2      LEU 414  21.582   5.465   5.465
  109   2HB   LEU 414           HB1      LEU 414  22.993   5.102   5.102
  110    HG   LEU 414           HG       LEU 414  23.016   7.457   7.457
  111   1HD1  LEU 414          HD12      LEU 414  25.171   6.055   6.055
  112   2HD1  LEU 414          HD11      LEU 414  25.091   6.045   6.045
  113   3HD1  LEU 414          HD13      LEU 414  25.239   7.573   7.573
  114   1HD2  LEU 414          HD23      LEU 414  21.645   6.998   6.998
  115   2HD2  LEU 414          HD22      LEU 414  22.996   8.108   8.108
  116   3HD2  LEU 414          HD21      LEU 414  23.131   6.435   6.435
  117    H    SER 415           HN       SER 415  21.172   2.869   2.869
  118    HA   SER 415           HA       SER 415  22.733   1.264   1.264
  119   1HB   SER 415           HB2      SER 415  19.911   1.380   1.380
  120   2HB   SER 415           HB1      SER 415  20.412  -0.083  -0.083
  121    HG   SER 415           HG       SER 415  21.033   1.179   1.179
  122    H    GLU 416           HN       GLU 416  22.192  -1.298  -1.298
  123    HA   GLU 416           HA       GLU 416  23.630  -3.036  -3.036
  124   1HB   GLU 416           HB2      GLU 416  21.685  -4.371  -4.371
  125   2HB   GLU 416           HB1      GLU 416  21.680  -4.124  -4.124
  126   1HG   GLU 416           HG2      GLU 416  20.380  -1.936  -1.936
  127   2HG   GLU 416           HG1      GLU 416  19.583  -3.499  -3.499
  128    H    LYS 417           HN       LYS 417  21.474  -2.813  -2.813
  129    HA   LYS 417           HA       LYS 417  21.920  -2.738  -2.738
  130   1HB   LYS 417           HB2      LYS 417  22.263  -0.512  -0.512
  131   2HB   LYS 417           HB1      LYS 417  23.457  -0.642  -0.642
  132   1HG   LYS 417           HG2      LYS 417  24.408  -1.626  -1.626
  133   2HG   LYS 417           HG1      LYS 417  23.984   0.083   0.083
  134   1HD   LYS 417           HD2      LYS 417  25.886  -1.264  -1.264
  135   2HD   LYS 417           HD1      LYS 417  26.364  -0.237  -0.237
  136   1HE   LYS 417           HE2      LYS 417  26.249   1.515   1.515
  137   2HE   LYS 417           HE1      LYS 417  24.498   1.312   1.312
  138   1HZ   LYS 417           HZ1      LYS 417  25.065  -0.525  -0.525
  139   2HZ   LYS 417           HZ3      LYS 417  26.465   0.422   0.422
  140   3HZ   LYS 417           HZ2      LYS 417  24.928   1.121   1.121
  141    H    LYS 418           HN       LYS 418  22.461  -4.983  -4.983
  142    HA   LYS 418           HA       LYS 418  25.347  -5.574  -5.574
  143   1HB   LYS 418           HB2      LYS 418  24.036  -6.154  -6.154
  144   2HB   LYS 418           HB1      LYS 418  23.749  -7.626  -7.626
  145   1HG   LYS 418           HG2      LYS 418  26.432  -7.125  -7.125
  146   2HG   LYS 418           HG1      LYS 418  26.244  -6.650  -6.650
  147   1HD   LYS 418           HD2      LYS 418  26.797  -9.013  -9.013
  148   2HD   LYS 418           HD1      LYS 418  25.114  -8.853  -8.853
  149   1HE   LYS 418           HE2      LYS 418  25.584  -9.046  -9.046
  150   2HE   LYS 418           HE1      LYS 418  25.920 -10.504 -10.504
  151   1HZ   LYS 418           HZ1      LYS 418  23.507  -9.587  -9.587
  152   2HZ   LYS 418           HZ3      LYS 418  23.411  -9.334  -9.334
  153   3HZ   LYS 418           HZ2      LYS 418  23.739 -10.891 -10.891
  154    H    THR 419           HN       THR 419  24.217  -5.255  -5.255
  155    HA   THR 419           HA       THR 419  23.208  -6.096  -6.096
  156    HB   THR 419           HB       THR 419  25.446  -6.856  -6.856
  157    HG1  THR 419           HG1      THR 419  23.856  -9.171  -9.171
  158   1HG2  THR 419          HG22      THR 419  24.694  -9.051  -9.051
  159   2HG2  THR 419          HG21      THR 419  26.154  -9.109  -9.109
  160   3HG2  THR 419          HG23      THR 419  25.936  -7.813  -7.813
  161   1HN   NH2 420           HX1      THR 419  20.933  -6.368  -6.368
  162   2HN   NH2 420           HX2      THR 419  20.309  -7.937  -7.937

  Start of MODEL   26
    1   1H    ACE 402           HA1      ACE 402  11.501  -5.495  -5.495
    2   2H    ACE 402           HA2      ACE 402  12.498  -4.445  -4.445
    3   3H    ACE 402           HA3      ACE 402  13.239  -5.766  -5.766
    4    H    GLN 403           HN       GLN 403  10.454  -7.114  -7.114
    5    HA   GLN 403           HA       GLN 403  11.671  -8.472  -8.472
    6   1HB   GLN 403           HB2      GLN 403   9.925 -10.053 -10.053
    7   2HB   GLN 403           HB1      GLN 403  10.234  -9.604  -9.604
    8   1HG   GLN 403           HG2      GLN 403   8.030  -8.253  -8.253
    9   2HG   GLN 403           HG1      GLN 403   7.763  -9.799  -9.799
   10   1HE2  GLN 403          HE22      GLN 403   7.489  -8.368  -8.368
   11   2HE2  GLN 403          HE21      GLN 403   7.412  -9.783  -9.783
   12    H    ALA 404           HN       ALA 404   9.123  -6.318  -6.318
   13    HA   ALA 404           HA       ALA 404   8.005  -5.789  -5.789
   14   1HB   ALA 404           HB1      ALA 404   7.029  -5.284  -5.284
   15   2HB   ALA 404           HB3      ALA 404   8.212  -3.991  -3.991
   16   3HB   ALA 404           HB2      ALA 404   6.985  -3.905  -3.905
   17    H    GLU 405           HN       GLU 405   8.362  -3.761  -3.761
   18    HA   GLU 405           HA       GLU 405  11.125  -2.755  -2.755
   19   1HB   GLU 405           HB2      GLU 405   8.821  -2.149  -2.149
   20   2HB   GLU 405           HB1      GLU 405  10.397  -1.379  -1.379
   21   1HG   GLU 405           HG2      GLU 405  10.928  -4.146  -4.146
   22   2HG   GLU 405           HG1      GLU 405   9.560  -4.000  -4.000
   23    H    ARG 406           HN       ARG 406   9.224  -2.255  -2.255
   24    HA   ARG 406           HA       ARG 406   8.600   0.607   0.607
   25   1HB   ARG 406           HB2      ARG 406   7.319  -1.691  -1.691
   26   2HB   ARG 406           HB1      ARG 406   7.657  -0.627  -0.627
   27   1HG   ARG 406           HG2      ARG 406   5.481  -0.064  -0.064
   28   2HG   ARG 406           HG1      ARG 406   6.605   1.239   1.239
   29   1HD   ARG 406           HD2      ARG 406   6.643  -0.800  -0.800
   30   2HD   ARG 406           HD1      ARG 406   5.033  -0.117  -0.117
   31    HE   ARG 406           HE       ARG 406   6.816   2.076   2.076
   32   1HH1  ARG 406          HH11      ARG 406   8.413   0.846   0.846
   33   2HH1  ARG 406          HH12      ARG 406   7.519   1.082   1.082
   34   1HH2  ARG 406          HH21      ARG 406   4.531   1.804   1.804
   35   2HH2  ARG 406          HH22      ARG 406   5.300   1.630   1.630
   36    H    MET 407           HN       MET 407   9.588  -1.517  -1.517
   37    HA   MET 407           HA       MET 407  10.811   0.430   0.430
   38   1HB   MET 407           HB2      MET 407  11.330  -2.534  -2.534
   39   2HB   MET 407           HB1      MET 407  12.026  -1.507  -1.507
   40   1HG   MET 407           HG2      MET 407  10.060  -1.323  -1.323
   41   2HG   MET 407           HG1      MET 407   9.101  -1.213  -1.213
   42   1HE   MET 407           HE3      MET 407   8.573  -3.057  -3.057
   43   2HE   MET 407           HE2      MET 407  10.145  -3.849  -3.849
   44   3HE   MET 407           HE1      MET 407   8.709  -4.788  -4.788
   45    H    SER 408           HN       SER 408  12.207  -1.662  -1.662
   46    HA   SER 408           HA       SER 408  14.905  -0.840  -0.840
   47   1HB   SER 408           HB2      SER 408  13.466  -2.715  -2.715
   48   2HB   SER 408           HB1      SER 408  14.046  -1.601  -1.601
   49    HG   SER 408           HG       SER 408  15.391  -3.442  -3.442
   50    H    GLN 409           HN       GLN 409  12.232   0.279   0.279
   51    HA   GLN 409           HA       GLN 409  13.498   2.189   2.189
   52   1HB   GLN 409           HB2      GLN 409  11.037   1.443   1.443
   53   2HB   GLN 409           HB1      GLN 409  10.767   2.674   2.674
   54   1HG   GLN 409           HG2      GLN 409  10.499   4.115   4.115
   55   2HG   GLN 409           HG1      GLN 409  12.249   4.026   4.026
   56   1HE2  GLN 409          HE22      GLN 409  11.955   2.441   2.441
   57   2HE2  GLN 409          HE21      GLN 409  12.909   3.360   3.360
   58    H    ILE 410           HN       ILE 410  12.907   2.439   2.439
   59    HA   ILE 410           HA       ILE 410  13.315   5.283   5.283
   60    HB   ILE 410           HB       ILE 410  13.397   3.479   3.479
   61   1HG1  ILE 410          HG12      ILE 410  10.925   4.490   4.490
   62   2HG1  ILE 410          HG11      ILE 410  11.396   2.807   2.807
   63   1HG2  ILE 410          HG21      ILE 410  13.951   5.891   5.891
   64   2HG2  ILE 410          HG23      ILE 410  12.359   6.277   6.277
   65   3HG2  ILE 410          HG22      ILE 410  12.500   5.468   5.468
   66   1HD1  ILE 410          HD11      ILE 410  10.674   4.620   4.620
   67   2HD1  ILE 410          HD13      ILE 410   9.613   3.401   3.401
   68   3HD1  ILE 410          HD12      ILE 410  11.098   2.912   2.912
   69    H    LYS 411           HN       LYS 411  15.123   2.666   2.666
   70    HA   LYS 411           HA       LYS 411  17.546   4.366   4.366
   71   1HB   LYS 411           HB2      LYS 411  16.707   2.041   2.041
   72   2HB   LYS 411           HB1      LYS 411  18.406   2.496   2.496
   73   1HG   LYS 411           HG2      LYS 411  17.792   3.874   3.874
   74   2HG   LYS 411           HG1      LYS 411  17.340   4.940   4.940
   75   1HD   LYS 411           HD2      LYS 411  15.217   4.924   4.924
   76   2HD   LYS 411           HD1      LYS 411  15.133   3.200   3.200
   77   1HE   LYS 411           HE2      LYS 411  15.801   2.608   2.608
   78   2HE   LYS 411           HE1      LYS 411  16.350   4.246   4.246
   79   1HZ   LYS 411           HZ1      LYS 411  14.034   5.001   5.001
   80   2HZ   LYS 411           HZ3      LYS 411  13.530   3.403   3.403
   81   3HZ   LYS 411           HZ2      LYS 411  14.217   3.836   3.836
   82    H    ARG 412           HN       ARG 412  16.651   2.487   2.487
   83    HA   ARG 412           HA       ARG 412  18.606   0.469   0.469
   84   1HB   ARG 412           HB2      ARG 412  16.736   1.915   1.915
   85   2HB   ARG 412           HB1      ARG 412  18.106   1.199   1.199
   86   1HG   ARG 412           HG2      ARG 412  17.537  -1.009  -1.009
   87   2HG   ARG 412           HG1      ARG 412  16.311  -0.300  -0.300
   88   1HD   ARG 412           HD2      ARG 412  14.847   0.027   0.027
   89   2HD   ARG 412           HD1      ARG 412  16.153   0.164   0.164
   90    HE   ARG 412           HE       ARG 412  16.153  -2.505  -2.505
   91   1HH1  ARG 412          HH11      ARG 412  15.760  -1.205  -1.205
   92   2HH1  ARG 412          HH12      ARG 412  14.354  -2.105  -2.105
   93   1HH2  ARG 412          HH21      ARG 412  13.740  -3.374  -3.374
   94   2HH2  ARG 412          HH22      ARG 412  13.230  -3.333  -3.333
   95    H    LEU 413           HN       LEU 413  18.882   3.859   3.859
   96    HA   LEU 413           HA       LEU 413  21.185   4.037   4.037
   97   1HB   LEU 413           HB2      LEU 413  20.811   6.101   6.101
   98   2HB   LEU 413           HB1      LEU 413  21.252   6.317   6.317
   99    HG   LEU 413           HG       LEU 413  18.480   5.803   5.803
  100   1HD1  LEU 413          HD12      LEU 413  19.844   8.097   8.097
  101   2HD1  LEU 413          HD11      LEU 413  18.087   7.953   7.953
  102   3HD1  LEU 413          HD13      LEU 413  18.978   8.098   8.098
  103   1HD2  LEU 413          HD21      LEU 413  18.770   4.489   4.489
  104   2HD2  LEU 413          HD23      LEU 413  17.651   5.831   5.831
  105   3HD2  LEU 413          HD22      LEU 413  19.305   5.948   5.948
  106    H    LEU 414           HN       LEU 414  20.760   3.402   3.402
  107    HA   LEU 414           HA       LEU 414  23.606   3.647   3.647
  108   1HB   LEU 414           HB2      LEU 414  22.329   4.431   4.431
  109   2HB   LEU 414           HB1      LEU 414  21.023   3.303   3.303
  110    HG   LEU 414           HG       LEU 414  23.498   1.954   1.954
  111   1HD1  LEU 414          HD12      LEU 414  22.204   4.003   4.003
  112   2HD1  LEU 414          HD11      LEU 414  23.209   2.680   2.680
  113   3HD1  LEU 414          HD13      LEU 414  23.901   3.904   3.904
  114   1HD2  LEU 414          HD21      LEU 414  21.035   1.169   1.169
  115   2HD2  LEU 414          HD23      LEU 414  21.945   0.666   0.666
  116   3HD2  LEU 414          HD22      LEU 414  20.798   2.001   2.001
  117    H    SER 415           HN       SER 415  21.096   1.067   1.067
  118    HA   SER 415           HA       SER 415  23.165  -1.003  -1.003
  119   1HB   SER 415           HB2      SER 415  20.237  -0.870  -0.870
  120   2HB   SER 415           HB1      SER 415  20.857  -2.329  -2.329
  121    HG   SER 415           HG       SER 415  21.561  -1.329  -1.329
  122    H    GLU 416           HN       GLU 416  24.421  -0.236  -0.236
  123    HA   GLU 416           HA       GLU 416  23.398  -0.418  -0.418
  124   1HB   GLU 416           HB2      GLU 416  25.712  -0.352  -0.352
  125   2HB   GLU 416           HB1      GLU 416  25.497   0.783   0.783
  126   1HG   GLU 416           HG2      GLU 416  26.355  -1.946  -1.946
  127   2HG   GLU 416           HG1      GLU 416  27.529  -1.035  -1.035
  128    H    LYS 417           HN       LYS 417  24.721  -2.930  -2.930
  129    HA   LYS 417           HA       LYS 417  24.213  -4.936  -4.936
  130   1HB   LYS 417           HB2      LYS 417  26.631  -4.526  -4.526
  131   2HB   LYS 417           HB1      LYS 417  26.165  -5.231  -5.231
  132   1HG   LYS 417           HG2      LYS 417  25.242  -7.194  -7.194
  133   2HG   LYS 417           HG1      LYS 417  26.350  -6.533  -6.533
  134   1HD   LYS 417           HD2      LYS 417  27.490  -8.269  -8.269
  135   2HD   LYS 417           HD1      LYS 417  28.206  -6.700  -6.700
  136   1HE   LYS 417           HE2      LYS 417  27.897  -8.009  -8.009
  137   2HE   LYS 417           HE1      LYS 417  26.903  -6.558  -6.558
  138   1HZ   LYS 417           HZ1      LYS 417  25.822  -9.161  -9.161
  139   2HZ   LYS 417           HZ3      LYS 417  25.821  -8.739  -8.739
  140   3HZ   LYS 417           HZ2      LYS 417  24.961  -7.780  -7.780
  141    H    LYS 418           HN       LYS 418  22.130  -4.031  -4.031
  142    HA   LYS 418           HA       LYS 418  21.162  -6.521  -6.521
  143   1HB   LYS 418           HB2      LYS 418  22.966  -5.323  -5.323
  144   2HB   LYS 418           HB1      LYS 418  21.466  -4.583  -4.583
  145   1HG   LYS 418           HG2      LYS 418  20.997  -7.397  -7.397
  146   2HG   LYS 418           HG1      LYS 418  22.447  -7.212  -7.212
  147   1HD   LYS 418           HD2      LYS 418  19.678  -6.110  -6.110
  148   2HD   LYS 418           HD1      LYS 418  20.524  -7.363  -7.363
  149   1HE   LYS 418           HE2      LYS 418  21.278  -5.749  -5.749
  150   2HE   LYS 418           HE1      LYS 418  22.275  -5.164  -5.164
  151   1HZ   LYS 418           HZ2      LYS 418  19.457  -4.330  -4.330
  152   2HZ   LYS 418           HZ1      LYS 418  20.421  -3.670  -3.670
  153   3HZ   LYS 418           HZ3      LYS 418  20.874  -3.439  -3.439
  154    H    THR 419           HN       THR 419  19.220  -5.937  -5.937
  155    HA   THR 419           HA       THR 419  17.717  -3.590  -3.590
  156    HB   THR 419           HB       THR 419  16.999  -5.421  -5.421
  157    HG1  THR 419           HG1      THR 419  14.798  -5.822  -5.822
  158   1HG2  THR 419          HG21      THR 419  16.886  -7.014  -7.014
  159   2HG2  THR 419          HG23      THR 419  16.212  -7.588  -7.588
  160   3HG2  THR 419          HG22      THR 419  17.942  -7.286  -7.286
  161   1HN   NH2 420           HX1      THR 419  15.918  -3.341  -3.341
  162   2HN   NH2 420           HX2      THR 419  15.288  -3.990  -3.990

  Start of MODEL   27
    1   1H    ACE 402           HA1      ACE 402   9.824  -2.914  -2.914
    2   2H    ACE 402           HA2      ACE 402  10.937  -2.861  -2.861
    3   3H    ACE 402           HA3      ACE 402  11.436  -3.610  -3.610
    4    H    GLN 403           HN       GLN 403   8.257  -4.441  -4.441
    5    HA   GLN 403           HA       GLN 403   8.909  -7.146  -7.146
    6   1HB   GLN 403           HB2      GLN 403   7.231  -6.891  -6.891
    7   2HB   GLN 403           HB1      GLN 403   6.258  -5.870  -5.870
    8   1HG   GLN 403           HG2      GLN 403   5.368  -8.183  -8.183
    9   2HG   GLN 403           HG1      GLN 403   5.896  -7.766  -7.766
   10   1HE2  GLN 403          HE22      GLN 403   8.524 -10.176 -10.176
   11   2HE2  GLN 403          HE21      GLN 403   7.875  -8.820  -8.820
   12    H    ALA 404           HN       ALA 404   7.029  -4.449  -4.449
   13    HA   ALA 404           HA       ALA 404   6.181  -5.200  -5.200
   14   1HB   ALA 404           HB1      ALA 404   5.379  -3.264  -3.264
   15   2HB   ALA 404           HB3      ALA 404   6.827  -2.413  -2.413
   16   3HB   ALA 404           HB2      ALA 404   5.626  -2.846  -2.846
   17    H    GLU 405           HN       GLU 405   7.079  -4.268  -4.268
   18    HA   GLU 405           HA       GLU 405  10.018  -4.021  -4.021
   19   1HB   GLU 405           HB2      GLU 405   9.636  -3.611  -3.611
   20   2HB   GLU 405           HB1      GLU 405   9.414  -5.227  -5.227
   21   1HG   GLU 405           HG2      GLU 405   7.606  -4.543  -4.543
   22   2HG   GLU 405           HG1      GLU 405   6.991  -4.949  -4.949
   23    H    ARG 406           HN       ARG 406   8.261  -1.947  -1.947
   24    HA   ARG 406           HA       ARG 406   8.591   0.445   0.445
   25   1HB   ARG 406           HB2      ARG 406   6.495  -0.514  -0.514
   26   2HB   ARG 406           HB1      ARG 406   7.190   0.633   0.633
   27   1HG   ARG 406           HG2      ARG 406   6.019   2.198   2.198
   28   2HG   ARG 406           HG1      ARG 406   7.253   2.010   2.010
   29   1HD   ARG 406           HD2      ARG 406   4.849   0.198   0.198
   30   2HD   ARG 406           HD1      ARG 406   4.798   1.752   1.752
   31    HE   ARG 406           HE       ARG 406   6.002  -0.620  -0.620
   32   1HH1  ARG 406          HH11      ARG 406   5.485   2.410   2.410
   33   2HH1  ARG 406          HH12      ARG 406   7.024   2.686   2.686
   34   1HH2  ARG 406          HH21      ARG 406   8.480  -0.170  -0.170
   35   2HH2  ARG 406          HH22      ARG 406   8.741   1.239   1.239
   36    H    MET 407           HN       MET 407   8.848  -0.342  -0.342
   37    HA   MET 407           HA       MET 407  10.533   1.836   1.836
   38   1HB   MET 407           HB2      MET 407  10.242  -0.848  -0.848
   39   2HB   MET 407           HB1      MET 407  11.046   0.544   0.544
   40   1HG   MET 407           HG2      MET 407   9.082   1.593   1.593
   41   2HG   MET 407           HG1      MET 407   8.320   1.084   1.084
   42   1HE   MET 407           HE1      MET 407   7.342  -1.129  -1.129
   43   2HE   MET 407           HE3      MET 407   8.789  -2.027  -2.027
   44   3HE   MET 407           HE2      MET 407   7.213  -2.502  -2.502
   45    H    SER 408           HN       SER 408  11.293  -1.371  -1.371
   46    HA   SER 408           HA       SER 408  14.175  -1.016  -1.016
   47   1HB   SER 408           HB2      SER 408  13.007  -3.263  -3.263
   48   2HB   SER 408           HB1      SER 408  12.760  -3.225  -3.225
   49    HG   SER 408           HG       SER 408  15.042  -3.082  -3.082
   50    H    GLN 409           HN       GLN 409  12.104   0.345   0.345
   51    HA   GLN 409           HA       GLN 409  13.781   0.088   0.088
   52   1HB   GLN 409           HB2      GLN 409  11.264  -0.172  -0.172
   53   2HB   GLN 409           HB1      GLN 409  11.154   1.540   1.540
   54   1HG   GLN 409           HG2      GLN 409  13.059   1.294   1.294
   55   2HG   GLN 409           HG1      GLN 409  11.655   0.329   0.329
   56   1HE2  GLN 409          HE22      GLN 409  11.327   4.393   4.393
   57   2HE2  GLN 409          HE21      GLN 409  12.754   3.635   3.635
   58    H    ILE 410           HN       ILE 410  12.387   2.484   2.484
   59    HA   ILE 410           HA       ILE 410  13.913   4.683   4.683
   60    HB   ILE 410           HB       ILE 410  12.227   4.971   4.971
   61   1HG1  ILE 410          HG12      ILE 410  11.103   4.819   4.819
   62   2HG1  ILE 410          HG11      ILE 410  10.826   3.616   3.616
   63   1HG2  ILE 410          HG21      ILE 410  13.634   6.776   6.776
   64   2HG2  ILE 410          HG23      ILE 410  12.461   6.716   6.716
   65   3HG2  ILE 410          HG22      ILE 410  11.943   7.171   7.171
   66   1HD1  ILE 410          HD11      ILE 410   9.820   5.455   5.455
   67   2HD1  ILE 410          HD13      ILE 410   9.894   6.499   6.499
   68   3HD1  ILE 410          HD12      ILE 410   8.893   5.047   5.047
   69    H    LYS 411           HN       LYS 411  13.636   2.991   2.991
   70    HA   LYS 411           HA       LYS 411  16.033   4.377   4.377
   71   1HB   LYS 411           HB2      LYS 411  13.760   2.861   2.861
   72   2HB   LYS 411           HB1      LYS 411  15.291   2.768   2.768
   73   1HG   LYS 411           HG2      LYS 411  14.269   4.660   4.660
   74   2HG   LYS 411           HG1      LYS 411  15.341   5.359   5.359
   75   1HD   LYS 411           HD2      LYS 411  13.525   5.653   5.653
   76   2HD   LYS 411           HD1      LYS 411  12.432   4.706   4.706
   77   1HE   LYS 411           HE2      LYS 411  12.398   6.393   6.393
   78   2HE   LYS 411           HE1      LYS 411  13.732   7.270   7.270
   79   1HZ   LYS 411           HZ2      LYS 411  11.090   6.840   6.840
   80   2HZ   LYS 411           HZ1      LYS 411  11.502   8.242   8.242
   81   3HZ   LYS 411           HZ3      LYS 411  12.352   7.838   7.838
   82    H    ARG 412           HN       ARG 412  16.445   2.401   2.401
   83    HA   ARG 412           HA       ARG 412  17.653   0.142   0.142
   84   1HB   ARG 412           HB2      ARG 412  18.290  -0.297  -0.297
   85   2HB   ARG 412           HB1      ARG 412  16.753  -0.748  -0.748
   86   1HG   ARG 412           HG2      ARG 412  15.747   1.176   1.176
   87   2HG   ARG 412           HG1      ARG 412  17.297   1.840   1.840
   88   1HD   ARG 412           HD2      ARG 412  16.738  -0.855  -0.855
   89   2HD   ARG 412           HD1      ARG 412  15.561   0.344   0.344
   90    HE   ARG 412           HE       ARG 412  18.514   0.649   0.649
   91   1HH1  ARG 412          HH21      ARG 412  15.737   2.441   2.441
   92   2HH1  ARG 412          HH22      ARG 412  15.878   2.619   2.619
   93   1HH2  ARG 412          HH11      ARG 412  18.484   0.313   0.313
   94   2HH2  ARG 412          HH12      ARG 412  17.442   1.401   1.401
   95    H    LEU 413           HN       LEU 413  18.649   3.223   3.223
   96    HA   LEU 413           HA       LEU 413  21.304   2.851   2.851
   97   1HB   LEU 413           HB2      LEU 413  20.638   5.089   5.089
   98   2HB   LEU 413           HB1      LEU 413  21.775   5.105   5.105
   99    HG   LEU 413           HG       LEU 413  18.761   5.319   5.319
  100   1HD1  LEU 413          HD13      LEU 413  20.240   7.344   7.344
  101   2HD1  LEU 413          HD12      LEU 413  20.942   6.878   6.878
  102   3HD1  LEU 413          HD11      LEU 413  19.232   7.298   7.298
  103   1HD2  LEU 413          HD22      LEU 413  20.587   4.228   4.228
  104   2HD2  LEU 413          HD21      LEU 413  18.925   3.781   3.781
  105   3HD2  LEU 413          HD23      LEU 413  19.257   5.275   5.275
  106    H    LEU 414           HN       LEU 414  19.940   2.518   2.518
  107    HA   LEU 414           HA       LEU 414  22.312   2.534   2.534
  108   1HB   LEU 414           HB2      LEU 414  19.473   1.977   1.977
  109   2HB   LEU 414           HB1      LEU 414  20.441   0.833   0.833
  110    HG   LEU 414           HG       LEU 414  19.899   2.767   2.767
  111   1HD1  LEU 414          HD11      LEU 414  22.459   1.721   1.721
  112   2HD1  LEU 414          HD13      LEU 414  22.708   3.468   3.468
  113   3HD1  LEU 414          HD12      LEU 414  21.924   2.699   2.699
  114   1HD2  LEU 414          HD21      LEU 414  19.663   4.350   4.350
  115   2HD2  LEU 414          HD23      LEU 414  20.597   5.011   5.011
  116   3HD2  LEU 414          HD22      LEU 414  21.422   4.417   4.417
  117    H    SER 415           HN       SER 415  21.101   0.196   0.196
  118    HA   SER 415           HA       SER 415  21.989  -2.265  -2.265
  119   1HB   SER 415           HB2      SER 415  21.988  -1.326  -1.326
  120   2HB   SER 415           HB1      SER 415  22.200  -3.001  -3.001
  121    HG   SER 415           HG       SER 415  19.930  -1.336  -1.336
  122    H    GLU 416           HN       GLU 416  24.024  -3.002  -3.002
  123    HA   GLU 416           HA       GLU 416  26.385  -1.397  -1.397
  124   1HB   GLU 416           HB2      GLU 416  26.136  -3.105  -3.105
  125   2HB   GLU 416           HB1      GLU 416  26.193  -4.376  -4.376
  126   1HG   GLU 416           HG2      GLU 416  28.466  -2.936  -2.936
  127   2HG   GLU 416           HG1      GLU 416  28.391  -2.765  -2.765
  128    H    LYS 417           HN       LYS 417  25.451  -4.501  -4.501
  129    HA   LYS 417           HA       LYS 417  27.105  -3.716  -3.716
  130   1HB   LYS 417           HB2      LYS 417  27.738  -5.689  -5.689
  131   2HB   LYS 417           HB1      LYS 417  26.783  -6.597  -6.597
  132   1HG   LYS 417           HG2      LYS 417  28.436  -6.543  -6.543
  133   2HG   LYS 417           HG1      LYS 417  28.676  -4.811  -4.811
  134   1HD   LYS 417           HD2      LYS 417  30.718  -6.015  -6.015
  135   2HD   LYS 417           HD1      LYS 417  29.996  -5.264  -5.264
  136   1HE   LYS 417           HE2      LYS 417  28.759  -7.672  -7.672
  137   2HE   LYS 417           HE1      LYS 417  30.264  -8.148  -8.148
  138   1HZ   LYS 417           HZ3      LYS 417  30.051  -6.603  -6.603
  139   2HZ   LYS 417           HZ2      LYS 417  30.442  -8.266  -8.266
  140   3HZ   LYS 417           HZ1      LYS 417  31.504  -7.094  -7.094
  141    H    LYS 418           HN       LYS 418  25.159  -2.925  -2.925
  142    HA   LYS 418           HA       LYS 418  23.682  -4.930  -4.930
  143   1HB   LYS 418           HB2      LYS 418  22.689  -4.528  -4.528
  144   2HB   LYS 418           HB1      LYS 418  21.704  -3.426  -3.426
  145   1HG   LYS 418           HG2      LYS 418  21.087  -5.252  -5.252
  146   2HG   LYS 418           HG1      LYS 418  22.144  -6.359  -6.359
  147   1HD   LYS 418           HD2      LYS 418  19.950  -6.771  -6.771
  148   2HD   LYS 418           HD1      LYS 418  20.774  -5.823  -5.823
  149   1HE   LYS 418           HE2      LYS 418  19.661  -3.865  -3.865
  150   2HE   LYS 418           HE1      LYS 418  18.433  -5.130  -5.130
  151   1HZ   LYS 418           HZ1      LYS 418  18.780  -5.168  -5.168
  152   2HZ   LYS 418           HZ3      LYS 418  19.523  -3.643  -3.643
  153   3HZ   LYS 418           HZ2      LYS 418  17.896  -3.881  -3.881
  154    H    THR 419           HN       THR 419  21.673  -3.780  -3.780
  155    HA   THR 419           HA       THR 419  22.322  -0.954  -0.954
  156    HB   THR 419           HB       THR 419  23.384  -2.031  -2.031
  157    HG1  THR 419           HG1      THR 419  20.817  -2.082  -2.082
  158   1HG2  THR 419          HG23      THR 419  21.211  -4.134  -4.134
  159   2HG2  THR 419          HG22      THR 419  22.342  -4.060  -4.060
  160   3HG2  THR 419          HG21      THR 419  22.940  -4.329  -4.329
  161   1HN   NH2 420           HX1      THR 419  19.578  -3.501  -3.501
  162   2HN   NH2 420           HX2      THR 419  18.745  -2.465  -2.465

  Start of MODEL   28
    1   1H    ACE 402           HA1      ACE 402  10.970  -2.954  -2.954
    2   2H    ACE 402           HA2      ACE 402  11.611  -3.589  -3.589
    3   3H    ACE 402           HA3      ACE 402   9.886  -3.259  -3.259
    4    H    GLN 403           HN       GLN 403   8.566  -4.898  -4.898
    5    HA   GLN 403           HA       GLN 403   9.750  -7.527  -7.527
    6   1HB   GLN 403           HB2      GLN 403   6.932  -6.496  -6.496
    7   2HB   GLN 403           HB1      GLN 403   7.240  -8.098  -8.098
    8   1HG   GLN 403           HG2      GLN 403   8.273  -8.855  -8.855
    9   2HG   GLN 403           HG1      GLN 403   8.351  -7.219  -7.219
   10   1HE2  GLN 403          HE22      GLN 403   4.705  -9.124  -9.124
   11   2HE2  GLN 403          HE21      GLN 403   5.864  -9.589  -9.589
   12    H    ALA 404           HN       ALA 404   7.818  -5.168  -5.168
   13    HA   ALA 404           HA       ALA 404   7.805  -6.104  -6.104
   14   1HB   ALA 404           HB1      ALA 404   6.425  -4.209  -4.209
   15   2HB   ALA 404           HB3      ALA 404   7.845  -3.205  -3.205
   16   3HB   ALA 404           HB2      ALA 404   7.005  -3.876  -3.876
   17    H    GLU 405           HN       GLU 405   9.175  -5.248  -5.248
   18    HA   GLU 405           HA       GLU 405  11.908  -4.538  -4.538
   19   1HB   GLU 405           HB2      GLU 405  12.280  -4.396  -4.396
   20   2HB   GLU 405           HB1      GLU 405  12.082  -5.969  -5.969
   21   1HG   GLU 405           HG2      GLU 405  10.776  -5.713  -5.713
   22   2HG   GLU 405           HG1      GLU 405   9.756  -6.082  -6.082
   23    H    ARG 406           HN       ARG 406   9.607  -2.658  -2.658
   24    HA   ARG 406           HA       ARG 406  10.112  -0.378  -0.378
   25   1HB   ARG 406           HB2      ARG 406   7.821  -1.523  -1.523
   26   2HB   ARG 406           HB1      ARG 406   8.041  -0.129  -0.129
   27   1HG   ARG 406           HG2      ARG 406   7.035   1.041   1.041
   28   2HG   ARG 406           HG1      ARG 406   8.589   0.920   0.920
   29   1HD   ARG 406           HD2      ARG 406   6.565  -1.282  -1.282
   30   2HD   ARG 406           HD1      ARG 406   6.465   0.158   0.158
   31    HE   ARG 406           HE       ARG 406   8.252  -2.002  -2.002
   32   1HH1  ARG 406          HH21      ARG 406   7.632   0.763   0.763
   33   2HH1  ARG 406          HH22      ARG 406   9.257   1.264   1.264
   34   1HH2  ARG 406          HH11      ARG 406  10.659  -1.150  -1.150
   35   2HH2  ARG 406          HH12      ARG 406  10.993   0.183   0.183
   36    H    MET 407           HN       MET 407   9.549  -0.935  -0.935
   37    HA   MET 407           HA       MET 407  10.639   1.534   1.534
   38   1HB   MET 407           HB2      MET 407  10.249  -1.094  -1.094
   39   2HB   MET 407           HB1      MET 407  10.758   0.381   0.381
   40   1HG   MET 407           HG2      MET 407   8.425   0.351   0.351
   41   2HG   MET 407           HG1      MET 407   8.632   1.454   1.454
   42   1HE   MET 407           HE2      MET 407   8.594  -2.230  -2.230
   43   2HE   MET 407           HE1      MET 407   7.442  -2.979  -2.979
   44   3HE   MET 407           HE3      MET 407   9.054  -2.533  -2.533
   45    H    SER 408           HN       SER 408  12.072  -1.531  -1.531
   46    HA   SER 408           HA       SER 408  14.677  -0.826  -0.826
   47   1HB   SER 408           HB2      SER 408  14.019  -3.161  -3.161
   48   2HB   SER 408           HB1      SER 408  13.708  -3.207  -3.207
   49    HG   SER 408           HG       SER 408  16.292  -2.527  -2.527
   50    H    GLN 409           HN       GLN 409  13.083   0.040   0.040
   51    HA   GLN 409           HA       GLN 409  15.445   0.212   0.212
   52   1HB   GLN 409           HB2      GLN 409  13.103  -0.649  -0.649
   53   2HB   GLN 409           HB1      GLN 409  12.646   1.048   1.048
   54   1HG   GLN 409           HG2      GLN 409  15.115   0.879   0.879
   55   2HG   GLN 409           HG1      GLN 409  14.089  -0.413  -0.413
   56   1HE2  GLN 409          HE22      GLN 409  12.998   3.482   3.482
   57   2HE2  GLN 409          HE21      GLN 409  14.196   3.129   3.129
   58    H    ILE 410           HN       ILE 410  13.802   2.186   2.186
   59    HA   ILE 410           HA       ILE 410  14.392   4.707   4.707
   60    HB   ILE 410           HB       ILE 410  13.233   4.642   4.642
   61   1HG1  ILE 410          HG12      ILE 410  11.608   3.982   3.982
   62   2HG1  ILE 410          HG11      ILE 410  11.974   2.849   2.849
   63   1HG2  ILE 410          HG22      ILE 410  13.771   6.698   6.698
   64   2HG2  ILE 410          HG21      ILE 410  12.521   6.207   6.207
   65   3HG2  ILE 410          HG23      ILE 410  12.090   6.586   6.586
   66   1HD1  ILE 410          HD13      ILE 410  10.768   4.273   4.273
   67   2HD1  ILE 410          HD12      ILE 410  10.381   5.410   5.410
   68   3HD1  ILE 410          HD11      ILE 410   9.714   3.778   3.778
   69    H    LYS 411           HN       LYS 411  15.022   3.197   3.197
   70    HA   LYS 411           HA       LYS 411  17.296   5.025   5.025
   71   1HB   LYS 411           HB2      LYS 411  15.927   2.956   2.956
   72   2HB   LYS 411           HB1      LYS 411  17.341   3.860   3.860
   73   1HG   LYS 411           HG2      LYS 411  15.780   5.328   5.328
   74   2HG   LYS 411           HG1      LYS 411  15.767   5.903   5.903
   75   1HD   LYS 411           HD2      LYS 411  13.474   5.539   5.539
   76   2HD   LYS 411           HD1      LYS 411  13.920   4.225   4.225
   77   1HE   LYS 411           HE2      LYS 411  14.612   3.066   3.066
   78   2HE   LYS 411           HE1      LYS 411  13.374   4.162   4.162
   79   1HZ   LYS 411           HZ1      LYS 411  13.010   2.206   2.206
   80   2HZ   LYS 411           HZ3      LYS 411  12.430   2.021   2.021
   81   3HZ   LYS 411           HZ2      LYS 411  11.817   3.264   3.264
   82    H    ARG 412           HN       ARG 412  17.565   3.044   3.044
   83    HA   ARG 412           HA       ARG 412  19.129   0.836   0.836
   84   1HB   ARG 412           HB2      ARG 412  19.615   2.062   2.062
   85   2HB   ARG 412           HB1      ARG 412  19.444   0.398   0.398
   86   1HG   ARG 412           HG2      ARG 412  16.999   0.722   0.722
   87   2HG   ARG 412           HG1      ARG 412  17.236   2.370   2.370
   88   1HD   ARG 412           HD2      ARG 412  16.726   1.338   1.338
   89   2HD   ARG 412           HD1      ARG 412  18.477   1.179   1.179
   90    HE   ARG 412           HE       ARG 412  16.661  -1.026  -1.026
   91   1HH1  ARG 412          HH21      ARG 412  17.481  -1.397  -1.397
   92   2HH1  ARG 412          HH22      ARG 412  18.972  -2.293  -2.293
   93   1HH2  ARG 412          HH11      ARG 412  19.405  -1.551  -1.551
   94   2HH2  ARG 412          HH12      ARG 412  20.060  -2.373  -2.373
   95    H    LEU 413           HN       LEU 413  19.800   4.159   4.159
   96    HA   LEU 413           HA       LEU 413  22.629   4.112   4.112
   97   1HB   LEU 413           HB2      LEU 413  21.357   6.323   6.323
   98   2HB   LEU 413           HB1      LEU 413  22.626   6.420   6.420
   99    HG   LEU 413           HG       LEU 413  19.636   6.080   6.080
  100   1HD1  LEU 413          HD13      LEU 413  21.639   8.226   8.226
  101   2HD1  LEU 413          HD12      LEU 413  19.943   8.203   8.203
  102   3HD1  LEU 413          HD11      LEU 413  20.375   8.366   8.366
  103   1HD2  LEU 413          HD21      LEU 413  21.031   4.674   4.674
  104   2HD2  LEU 413          HD23      LEU 413  20.118   5.950   5.950
  105   3HD2  LEU 413          HD22      LEU 413  21.845   6.150   6.150
  106    H    LEU 414           HN       LEU 414  20.451   3.804   3.804
  107    HA   LEU 414           HA       LEU 414  22.520   3.826   3.826
  108   1HB   LEU 414           HB2      LEU 414  19.698   4.344   4.344
  109   2HB   LEU 414           HB1      LEU 414  19.957   3.056   3.056
  110    HG   LEU 414           HG       LEU 414  20.005   5.225   5.225
  111   1HD1  LEU 414          HD13      LEU 414  21.636   3.355   3.355
  112   2HD1  LEU 414          HD12      LEU 414  22.878   4.300   4.300
  113   3HD1  LEU 414          HD11      LEU 414  22.024   4.980   4.980
  114   1HD2  LEU 414          HD21      LEU 414  22.040   5.848   5.848
  115   2HD2  LEU 414          HD23      LEU 414  20.603   6.761   6.761
  116   3HD2  LEU 414          HD22      LEU 414  22.013   6.746   6.746
  117    H    SER 415           HN       SER 415  20.217   1.508   1.508
  118    HA   SER 415           HA       SER 415  21.167  -0.658  -0.658
  119   1HB   SER 415           HB2      SER 415  18.820  -0.240  -0.240
  120   2HB   SER 415           HB1      SER 415  19.588  -1.445  -1.445
  121    HG   SER 415           HG       SER 415  18.610  -1.658  -1.658
  122    H    GLU 416           HN       GLU 416  22.187   0.551   0.551
  123    HA   GLU 416           HA       GLU 416  23.525  -0.280  -0.280
  124   1HB   GLU 416           HB2      GLU 416  25.775  -0.864  -0.864
  125   2HB   GLU 416           HB1      GLU 416  25.101   0.526   0.526
  126   1HG   GLU 416           HG2      GLU 416  24.592  -0.793  -0.793
  127   2HG   GLU 416           HG1      GLU 416  24.930  -2.301  -2.301
  128    H    LYS 417           HN       LYS 417  21.525  -2.125  -2.125
  129    HA   LYS 417           HA       LYS 417  22.936  -4.719  -4.719
  130   1HB   LYS 417           HB2      LYS 417  21.247  -4.038  -4.038
  131   2HB   LYS 417           HB1      LYS 417  20.159  -4.810  -4.810
  132   1HG   LYS 417           HG2      LYS 417  21.007  -6.871  -6.871
  133   2HG   LYS 417           HG1      LYS 417  22.669  -6.294  -6.294
  134   1HD   LYS 417           HD2      LYS 417  21.910  -7.161  -7.161
  135   2HD   LYS 417           HD1      LYS 417  22.678  -5.577  -5.577
  136   1HE   LYS 417           HE2      LYS 417  19.814  -5.301  -5.301
  137   2HE   LYS 417           HE1      LYS 417  20.127  -6.227  -6.227
  138   1HZ   LYS 417           HZ2      LYS 417  21.686  -3.752  -3.752
  139   2HZ   LYS 417           HZ1      LYS 417  20.072  -3.612  -3.612
  140   3HZ   LYS 417           HZ3      LYS 417  21.216  -4.475  -4.475
  141    H    LYS 418           HN       LYS 418  21.255  -6.252  -6.252
  142    HA   LYS 418           HA       LYS 418  20.017  -6.696  -6.696
  143   1HB   LYS 418           HB2      LYS 418  18.687  -4.618  -4.618
  144   2HB   LYS 418           HB1      LYS 418  18.591  -4.204  -4.204
  145   1HG   LYS 418           HG2      LYS 418  17.922  -6.654  -6.654
  146   2HG   LYS 418           HG1      LYS 418  17.656  -6.756  -6.756
  147   1HD   LYS 418           HD2      LYS 418  16.249  -4.924  -4.924
  148   2HD   LYS 418           HD1      LYS 418  15.531  -6.224  -6.224
  149   1HE   LYS 418           HE2      LYS 418  16.820  -3.784  -3.784
  150   2HE   LYS 418           HE1      LYS 418  15.102  -3.882  -3.882
  151   1HZ   LYS 418           HZ2      LYS 418  16.496  -5.902  -5.902
  152   2HZ   LYS 418           HZ1      LYS 418  15.756  -4.510  -4.510
  153   3HZ   LYS 418           HZ3      LYS 418  14.823  -5.670  -5.670
  154    H    THR 419           HN       THR 419  19.228  -5.303  -5.303
  155    HA   THR 419           HA       THR 419  21.824  -4.393  -4.393
  156    HB   THR 419           HB       THR 419  21.117  -5.289  -5.289
  157    HG1  THR 419           HG1      THR 419  18.953  -5.640  -5.640
  158   1HG2  THR 419          HG21      THR 419  21.000  -6.937  -6.937
  159   2HG2  THR 419          HG23      THR 419  19.418  -7.210  -7.210
  160   3HG2  THR 419          HG22      THR 419  20.883  -7.498  -7.498
  161   1HN   NH2 420           HX1      THR 419  20.736  -1.626  -1.626
  162   2HN   NH2 420           HX2      THR 419  19.880  -2.952  -2.952

  Start of MODEL   29
    1   1H    ACE 402           HA1      ACE 402   8.076  -2.214  -2.214
    2   2H    ACE 402           HA2      ACE 402   8.990  -1.846  -1.846
    3   3H    ACE 402           HA3      ACE 402   9.838  -2.211  -2.211
    4    H    GLN 403           HN       GLN 403   6.996  -3.951  -3.951
    5    HA   GLN 403           HA       GLN 403   8.435  -6.497  -6.497
    6   1HB   GLN 403           HB2      GLN 403   6.105  -6.439  -6.439
    7   2HB   GLN 403           HB1      GLN 403   5.583  -5.836  -5.836
    8   1HG   GLN 403           HG2      GLN 403   5.150  -8.267  -8.267
    9   2HG   GLN 403           HG1      GLN 403   6.297  -7.943  -7.943
   10   1HE2  GLN 403          HE22      GLN 403   8.994  -9.606  -9.606
   11   2HE2  GLN 403          HE21      GLN 403   8.581  -8.561  -8.561
   12    H    ALA 404           HN       ALA 404   6.828  -4.438  -4.438
   13    HA   ALA 404           HA       ALA 404   7.389  -5.713  -5.713
   14   1HB   ALA 404           HB1      ALA 404   5.746  -3.756  -3.756
   15   2HB   ALA 404           HB3      ALA 404   7.153  -2.720  -2.720
   16   3HB   ALA 404           HB2      ALA 404   6.560  -3.656  -3.656
   17    H    GLU 405           HN       GLU 405   8.879  -4.638  -4.638
   18    HA   GLU 405           HA       GLU 405  11.494  -4.006  -4.006
   19   1HB   GLU 405           HB2      GLU 405  12.165  -3.727  -3.727
   20   2HB   GLU 405           HB1      GLU 405  11.843  -5.340  -5.340
   21   1HG   GLU 405           HG2      GLU 405  10.799  -4.906  -4.906
   22   2HG   GLU 405           HG1      GLU 405   9.616  -5.334  -5.334
   23    H    ARG 406           HN       ARG 406   8.971  -2.178  -2.178
   24    HA   ARG 406           HA       ARG 406   9.920   0.214   0.214
   25   1HB   ARG 406           HB2      ARG 406   7.582  -1.021  -1.021
   26   2HB   ARG 406           HB1      ARG 406   7.238   0.008   0.008
   27   1HG   ARG 406           HG2      ARG 406   6.560   1.090   1.090
   28   2HG   ARG 406           HG1      ARG 406   7.853   1.971   1.971
   29   1HD   ARG 406           HD2      ARG 406   8.276   1.812   1.812
   30   2HD   ARG 406           HD1      ARG 406   9.506   0.934   0.934
   31    HE   ARG 406           HE       ARG 406   8.819  -0.956  -0.956
   32   1HH1  ARG 406          HH11      ARG 406   6.772   1.109   1.109
   33   2HH1  ARG 406          HH12      ARG 406   5.352   0.124   0.124
   34   1HH2  ARG 406          HH21      ARG 406   6.769  -2.278  -2.278
   35   2HH2  ARG 406          HH22      ARG 406   5.343  -1.811  -1.811
   36    H    MET 407           HN       MET 407   8.106  -0.359  -0.359
   37    HA   MET 407           HA       MET 407   8.920   2.046   2.046
   38   1HB   MET 407           HB2      MET 407   7.788  -0.471  -0.471
   39   2HB   MET 407           HB1      MET 407   7.926   1.072   1.072
   40   1HG   MET 407           HG2      MET 407   6.161   2.000   2.000
   41   2HG   MET 407           HG1      MET 407   6.506   1.115   1.115
   42   1HE   MET 407           HE2      MET 407   6.163  -1.310  -1.310
   43   2HE   MET 407           HE1      MET 407   6.793  -1.910  -1.910
   44   3HE   MET 407           HE3      MET 407   5.191  -2.407  -2.407
   45    H    SER 408           HN       SER 408  10.101  -1.192  -1.192
   46    HA   SER 408           HA       SER 408  12.053  -0.904  -0.904
   47   1HB   SER 408           HB2      SER 408  11.046  -3.000  -3.000
   48   2HB   SER 408           HB1      SER 408  12.660  -2.811  -2.811
   49    HG   SER 408           HG       SER 408  11.836  -3.785  -3.785
   50    H    GLN 409           HN       GLN 409  12.034  -0.541  -0.541
   51    HA   GLN 409           HA       GLN 409  14.725  -0.057  -0.057
   52   1HB   GLN 409           HB2      GLN 409  12.718  -0.307  -0.307
   53   2HB   GLN 409           HB1      GLN 409  12.506   1.422   1.422
   54   1HG   GLN 409           HG2      GLN 409  14.952   1.678   1.678
   55   2HG   GLN 409           HG1      GLN 409  14.911  -0.025  -0.025
   56   1HE2  GLN 409          HE22      GLN 409  12.421   0.689   0.689
   57   2HE2  GLN 409          HE21      GLN 409  12.561  -0.406  -0.406
   58    H    ILE 410           HN       ILE 410  12.477   2.087   2.087
   59    HA   ILE 410           HA       ILE 410  13.986   4.471   4.471
   60    HB   ILE 410           HB       ILE 410  12.049   4.030   4.030
   61   1HG1  ILE 410          HG12      ILE 410  11.476   4.603   4.603
   62   2HG1  ILE 410          HG11      ILE 410  10.911   3.220   3.220
   63   1HG2  ILE 410          HG21      ILE 410  13.358   6.113   6.113
   64   2HG2  ILE 410          HG23      ILE 410  12.790   6.411   6.411
   65   3HG2  ILE 410          HG22      ILE 410  11.647   6.424   6.424
   66   1HD1  ILE 410          HD11      ILE 410  10.131   6.102   6.102
   67   2HD1  ILE 410          HD13      ILE 410   9.124   4.922   4.922
   68   3HD1  ILE 410          HD12      ILE 410   9.538   4.680   4.680
   69    H    LYS 411           HN       LYS 411  14.161   1.939   1.939
   70    HA   LYS 411           HA       LYS 411  16.002   3.447   3.447
   71   1HB   LYS 411           HB2      LYS 411  14.725   0.750   0.750
   72   2HB   LYS 411           HB1      LYS 411  15.910   1.370   1.370
   73   1HG   LYS 411           HG2      LYS 411  14.061   2.204   2.204
   74   2HG   LYS 411           HG1      LYS 411  14.220   3.497   3.497
   75   1HD   LYS 411           HD2      LYS 411  12.755   1.940   1.940
   76   2HD   LYS 411           HD1      LYS 411  12.326   1.154   1.154
   77   1HE   LYS 411           HE2      LYS 411  11.521   3.270   3.270
   78   2HE   LYS 411           HE1      LYS 411  12.050   4.129   4.129
   79   1HZ   LYS 411           HZ1      LYS 411  10.527   2.433   2.433
   80   2HZ   LYS 411           HZ3      LYS 411   9.807   2.233   2.233
   81   3HZ   LYS 411           HZ2      LYS 411   9.820   3.766   3.766
   82    H    ARG 412           HN       ARG 412  16.330   1.299   1.299
   83    HA   ARG 412           HA       ARG 412  18.912   0.350   0.350
   84   1HB   ARG 412           HB2      ARG 412  18.619  -0.685  -0.685
   85   2HB   ARG 412           HB1      ARG 412  18.180  -1.473  -1.473
   86   1HG   ARG 412           HG2      ARG 412  15.916  -0.580  -0.580
   87   2HG   ARG 412           HG1      ARG 412  16.411   0.085   0.085
   88   1HD   ARG 412           HD2      ARG 412  15.330  -2.058  -2.058
   89   2HD   ARG 412           HD1      ARG 412  17.054  -2.232  -2.232
   90    HE   ARG 412           HE       ARG 412  17.191  -3.726  -3.726
   91   1HH1  ARG 412          HH21      ARG 412  15.793  -1.874  -1.874
   92   2HH1  ARG 412          HH22      ARG 412  14.373  -2.793  -2.793
   93   1HH2  ARG 412          HH11      ARG 412  14.741  -4.991  -4.991
   94   2HH2  ARG 412          HH12      ARG 412  13.804  -4.579  -4.579
   95    H    LEU 413           HN       LEU 413  18.279   3.239   3.239
   96    HA   LEU 413           HA       LEU 413  19.641   3.664   3.664
   97   1HB   LEU 413           HB2      LEU 413  19.842   5.686   5.686
   98   2HB   LEU 413           HB1      LEU 413  19.717   5.974   5.974
   99    HG   LEU 413           HG       LEU 413  17.528   5.163   5.163
  100   1HD1  LEU 413          HD12      LEU 413  18.261   7.606   7.606
  101   2HD1  LEU 413          HD11      LEU 413  17.407   7.303   7.303
  102   3HD1  LEU 413          HD13      LEU 413  16.545   7.200   7.200
  103   1HD2  LEU 413          HD21      LEU 413  17.480   5.055   5.055
  104   2HD2  LEU 413          HD23      LEU 413  17.231   3.705   3.705
  105   3HD2  LEU 413          HD22      LEU 413  16.040   4.998   4.998
  106    H    LEU 414           HN       LEU 414  20.847   3.525   3.525
  107    HA   LEU 414           HA       LEU 414  23.584   4.099   4.099
  108   1HB   LEU 414           HB2      LEU 414  23.868   3.787   3.787
  109   2HB   LEU 414           HB1      LEU 414  22.275   4.462   4.462
  110    HG   LEU 414           HG       LEU 414  21.652   1.843   1.843
  111   1HD1  LEU 414          HD12      LEU 414  24.384   1.856   1.856
  112   2HD1  LEU 414          HD11      LEU 414  23.502   1.436   1.436
  113   3HD1  LEU 414          HD13      LEU 414  23.282   0.480   0.480
  114   1HD2  LEU 414          HD21      LEU 414  20.757   3.564   3.564
  115   2HD2  LEU 414          HD23      LEU 414  21.021   1.997   1.997
  116   3HD2  LEU 414          HD22      LEU 414  22.172   3.308   3.308
  117    H    SER 415           HN       SER 415  21.794   1.224   1.224
  118    HA   SER 415           HA       SER 415  23.835  -0.717  -0.717
  119   1HB   SER 415           HB2      SER 415  21.315  -0.735  -0.735
  120   2HB   SER 415           HB1      SER 415  22.463  -2.025  -2.025
  121    HG   SER 415           HG       SER 415  21.367  -1.288  -1.288
  122    H    GLU 416           HN       GLU 416  25.852  -0.267  -0.267
  123    HA   GLU 416           HA       GLU 416  26.345   0.772   0.772
  124   1HB   GLU 416           HB2      GLU 416  28.662  -0.322  -0.322
  125   2HB   GLU 416           HB1      GLU 416  28.205   0.848   0.848
  126   1HG   GLU 416           HG2      GLU 416  28.729  -0.720  -0.720
  127   2HG   GLU 416           HG1      GLU 416  27.290  -1.597  -1.597
  128    H    LYS 417           HN       LYS 417  26.410  -2.657  -2.657
  129    HA   LYS 417           HA       LYS 417  25.594  -3.486  -3.486
  130   1HB   LYS 417           HB2      LYS 417  28.055  -3.476  -3.476
  131   2HB   LYS 417           HB1      LYS 417  27.962  -4.557  -4.557
  132   1HG   LYS 417           HG2      LYS 417  26.466  -5.564  -5.564
  133   2HG   LYS 417           HG1      LYS 417  28.170  -5.325  -5.325
  134   1HD   LYS 417           HD2      LYS 417  26.922  -7.162  -7.162
  135   2HD   LYS 417           HD1      LYS 417  28.065  -7.556  -7.556
  136   1HE   LYS 417           HE2      LYS 417  29.535  -7.569  -7.569
  137   2HE   LYS 417           HE1      LYS 417  29.609  -5.848  -5.848
  138   1HZ   LYS 417           HZ3      LYS 417  27.391  -6.320  -6.320
  139   2HZ   LYS 417           HZ2      LYS 417  28.774  -7.057  -7.057
  140   3HZ   LYS 417           HZ1      LYS 417  28.793  -5.387  -5.387
  141    H    LYS 418           HN       LYS 418  23.599  -3.686  -3.686
  142    HA   LYS 418           HA       LYS 418  23.094  -6.423  -6.423
  143   1HB   LYS 418           HB2      LYS 418  24.503  -5.398  -5.398
  144   2HB   LYS 418           HB1      LYS 418  23.002  -4.572  -4.572
  145   1HG   LYS 418           HG2      LYS 418  22.981  -7.537  -7.537
  146   2HG   LYS 418           HG1      LYS 418  23.503  -6.940  -6.940
  147   1HD   LYS 418           HD2      LYS 418  20.865  -6.222  -6.222
  148   2HD   LYS 418           HD1      LYS 418  21.055  -7.481  -7.481
  149   1HE   LYS 418           HE2      LYS 418  20.918  -5.950  -5.950
  150   2HE   LYS 418           HE1      LYS 418  22.321  -5.109  -5.109
  151   1HZ   LYS 418           HZ3      LYS 418  19.717  -4.711  -4.711
  152   2HZ   LYS 418           HZ2      LYS 418  19.990  -3.937  -3.937
  153   3HZ   LYS 418           HZ1      LYS 418  21.029  -3.621  -3.621
  154    H    THR 419           HN       THR 419  21.234  -6.445  -6.445
  155    HA   THR 419           HA       THR 419  19.048  -6.070  -6.070
  156    HB   THR 419           HB       THR 419  17.483  -5.679  -5.679
  157    HG1  THR 419           HG1      THR 419  19.241  -3.924  -3.924
  158   1HG2  THR 419          HG21      THR 419  19.961  -7.227  -7.227
  159   2HG2  THR 419          HG23      THR 419  18.741  -7.052  -7.052
  160   3HG2  THR 419          HG22      THR 419  18.321  -7.798  -7.798
  161   1HN   NH2 420           HX1      THR 419  18.697  -4.358  -4.358
  162   2HN   NH2 420           HX2      THR 419  19.528  -2.903  -2.903

  Start of MODEL   30
    1   1H    ACE 402           HA1      ACE 402  12.014  -3.970  -3.970
    2   2H    ACE 402           HA2      ACE 402  10.306  -3.640  -3.640
    3   3H    ACE 402           HA3      ACE 402  11.512  -3.050  -3.050
    4    H    GLN 403           HN       GLN 403   9.268  -5.491  -5.491
    5    HA   GLN 403           HA       GLN 403  10.694  -7.631  -7.631
    6   1HB   GLN 403           HB2      GLN 403   8.797  -8.980  -8.980
    7   2HB   GLN 403           HB1      GLN 403   8.872  -7.953  -7.953
    8   1HG   GLN 403           HG2      GLN 403   7.159  -7.171  -7.171
    9   2HG   GLN 403           HG1      GLN 403   6.572  -8.316  -8.316
   10   1HE2  GLN 403          HE22      GLN 403   5.935  -5.825  -5.825
   11   2HE2  GLN 403          HE21      GLN 403   5.877  -7.477  -7.477
   12    H    ALA 404           HN       ALA 404   8.371  -5.214  -5.214
   13    HA   ALA 404           HA       ALA 404   7.742  -5.714  -5.714
   14   1HB   ALA 404           HB1      ALA 404   6.472  -4.306  -4.306
   15   2HB   ALA 404           HB3      ALA 404   7.715  -3.087  -3.087
   16   3HB   ALA 404           HB2      ALA 404   6.685  -3.528  -3.528
   17    H    GLU 405           HN       GLU 405   8.502  -4.251  -4.251
   18    HA   GLU 405           HA       GLU 405  11.322  -3.448  -3.448
   19   1HB   GLU 405           HB2      GLU 405   9.444  -3.844  -3.844
   20   2HB   GLU 405           HB1      GLU 405  10.690  -2.621  -2.621
   21   1HG   GLU 405           HG2      GLU 405  11.386  -5.359  -5.359
   22   2HG   GLU 405           HG1      GLU 405  11.243  -5.070  -5.070
   23    H    ARG 406           HN       ARG 406   9.137  -2.037  -2.037
   24    HA   ARG 406           HA       ARG 406   8.988   0.627   0.627
   25   1HB   ARG 406           HB2      ARG 406   7.185  -1.074  -1.074
   26   2HB   ARG 406           HB1      ARG 406   7.476   0.231   0.231
   27   1HG   ARG 406           HG2      ARG 406   5.661   0.962   0.962
   28   2HG   ARG 406           HG1      ARG 406   7.071   1.814   1.814
   29   1HD   ARG 406           HD2      ARG 406   7.131  -0.502  -0.502
   30   2HD   ARG 406           HD1      ARG 406   5.402  -0.194  -0.194
   31    HE   ARG 406           HE       ARG 406   5.697   1.884   1.884
   32   1HH1  ARG 406          HH11      ARG 406   8.122   3.104   3.104
   33   2HH1  ARG 406          HH12      ARG 406   9.255   2.681   2.681
   34   1HH2  ARG 406          HH21      ARG 406   7.331   0.056   0.056
   35   2HH2  ARG 406          HH22      ARG 406   8.812   0.948   0.948
   36    H    MET 407           HN       MET 407   9.215  -0.655  -0.655
   37    HA   MET 407           HA       MET 407  10.357   1.656   1.656
   38   1HB   MET 407           HB2      MET 407  10.359  -1.211  -1.211
   39   2HB   MET 407           HB1      MET 407  10.968   0.109   0.109
   40   1HG   MET 407           HG2      MET 407   8.742  -0.168  -0.168
   41   2HG   MET 407           HG1      MET 407   8.664   1.214   1.214
   42   1HE   MET 407           HE1      MET 407   8.694  -2.599  -2.599
   43   2HE   MET 407           HE3      MET 407   7.552  -3.096  -3.096
   44   3HE   MET 407           HE2      MET 407   9.112  -2.419  -2.419
   45    H    SER 408           HN       SER 408  11.844  -1.162  -1.162
   46    HA   SER 408           HA       SER 408  14.512  -0.232  -0.232
   47   1HB   SER 408           HB2      SER 408  13.859  -2.696  -2.696
   48   2HB   SER 408           HB1      SER 408  13.831  -2.622  -2.622
   49    HG   SER 408           HG       SER 408  16.007  -2.038  -2.038
   50    H    GLN 409           HN       GLN 409  12.481   0.953   0.953
   51    HA   GLN 409           HA       GLN 409  14.261   1.096   1.096
   52   1HB   GLN 409           HB2      GLN 409  11.816   0.560   0.560
   53   2HB   GLN 409           HB1      GLN 409  11.474   2.198   2.198
   54   1HG   GLN 409           HG2      GLN 409  12.183   3.129   3.129
   55   2HG   GLN 409           HG1      GLN 409  13.486   1.961   1.961
   56   1HE2  GLN 409          HE22      GLN 409  11.407  -0.391  -0.391
   57   2HE2  GLN 409          HE21      GLN 409  12.790  -0.286  -0.286
   58    H    ILE 410           HN       ILE 410  12.412   3.164   3.164
   59    HA   ILE 410           HA       ILE 410  13.571   5.636   5.636
   60    HB   ILE 410           HB       ILE 410  12.279   5.066   5.066
   61   1HG1  ILE 410          HG12      ILE 410  10.987   5.584   5.584
   62   2HG1  ILE 410          HG11      ILE 410  10.768   4.161   4.161
   63   1HG2  ILE 410          HG22      ILE 410  12.492   7.492   7.492
   64   2HG2  ILE 410          HG21      ILE 410  11.568   7.437   7.437
   65   3HG2  ILE 410          HG23      ILE 410  13.319   7.251   7.251
   66   1HD1  ILE 410          HD11      ILE 410   9.769   5.645   5.645
   67   2HD1  ILE 410          HD13      ILE 410   9.819   6.974   6.974
   68   3HD1  ILE 410          HD12      ILE 410   8.818   5.558   5.558
   69    H    LYS 411           HN       LYS 411  14.291   3.370   3.370
   70    HA   LYS 411           HA       LYS 411  16.607   4.975   4.975
   71   1HB   LYS 411           HB2      LYS 411  14.932   2.849   2.849
   72   2HB   LYS 411           HB1      LYS 411  16.630   2.838   2.838
   73   1HG   LYS 411           HG2      LYS 411  15.378   4.239   4.239
   74   2HG   LYS 411           HG1      LYS 411  16.446   5.255   5.255
   75   1HD   LYS 411           HD2      LYS 411  14.139   5.192   5.192
   76   2HD   LYS 411           HD1      LYS 411  13.506   5.194   5.194
   77   1HE   LYS 411           HE2      LYS 411  13.734   7.494   7.494
   78   2HE   LYS 411           HE1      LYS 411  15.055   7.154   7.154
   79   1HZ   LYS 411           HZ3      LYS 411  15.477   6.853   6.853
   80   2HZ   LYS 411           HZ2      LYS 411  15.552   8.387   8.387
   81   3HZ   LYS 411           HZ1      LYS 411  16.613   7.163   7.163
   82    H    ARG 412           HN       ARG 412  16.592   3.402   3.402
   83    HA   ARG 412           HA       ARG 412  18.219   1.128   1.128
   84   1HB   ARG 412           HB2      ARG 412  17.627   3.124   3.124
   85   2HB   ARG 412           HB1      ARG 412  18.789   1.863   1.863
   86   1HG   ARG 412           HG2      ARG 412  16.959   0.233   0.233
   87   2HG   ARG 412           HG1      ARG 412  15.906   1.597   1.597
   88   1HD   ARG 412           HD2      ARG 412  15.718   1.097   1.097
   89   2HD   ARG 412           HD1      ARG 412  17.437   1.438   1.438
   90    HE   ARG 412           HE       ARG 412  17.895  -0.924  -0.924
   91   1HH1  ARG 412          HH11      ARG 412  15.520  -1.249  -1.249
   92   2HH1  ARG 412          HH12      ARG 412  14.538  -2.384  -2.384
   93   1HH2  ARG 412          HH21      ARG 412  16.223  -1.836  -1.836
   94   2HH2  ARG 412          HH22      ARG 412  14.925  -2.698  -2.698
   95    H    LEU 413           HN       LEU 413  19.021   4.424   4.424
   96    HA   LEU 413           HA       LEU 413  21.788   4.392   4.392
   97   1HB   LEU 413           HB2      LEU 413  20.825   6.100   6.100
   98   2HB   LEU 413           HB1      LEU 413  21.971   6.500   6.500
   99    HG   LEU 413           HG       LEU 413  18.931   6.393   6.393
  100   1HD1  LEU 413          HD13      LEU 413  21.021   8.569   8.569
  101   2HD1  LEU 413          HD12      LEU 413  19.356   8.775   8.775
  102   3HD1  LEU 413          HD11      LEU 413  19.698   8.461   8.461
  103   1HD2  LEU 413          HD23      LEU 413  21.054   6.379   6.379
  104   2HD2  LEU 413          HD22      LEU 413  19.488   5.570   5.570
  105   3HD2  LEU 413          HD21      LEU 413  19.578   7.306   7.306
  106    H    LEU 414           HN       LEU 414  20.017   3.608   3.608
  107    HA   LEU 414           HA       LEU 414  22.423   2.796   2.796
  108   1HB   LEU 414           HB2      LEU 414  21.022   4.053   4.053
  109   2HB   LEU 414           HB1      LEU 414  19.567   3.428   3.428
  110    HG   LEU 414           HG       LEU 414  21.162   1.379   1.379
  111   1HD1  LEU 414          HD13      LEU 414  20.021   3.784   3.784
  112   2HD1  LEU 414          HD12      LEU 414  20.141   2.218   2.218
  113   3HD1  LEU 414          HD11      LEU 414  21.597   3.024   3.024
  114   1HD2  LEU 414          HD22      LEU 414  18.287   2.281   2.281
  115   2HD2  LEU 414          HD21      LEU 414  19.018   0.796   0.796
  116   3HD2  LEU 414          HD23      LEU 414  18.765   1.010   1.010
  117    H    SER 415           HN       SER 415  19.427   1.421   1.421
  118    HA   SER 415           HA       SER 415  20.053  -1.293  -1.293
  119   1HB   SER 415           HB2      SER 415  17.742  -0.069  -0.069
  120   2HB   SER 415           HB1      SER 415  18.087  -0.853  -0.853
  121    HG   SER 415           HG       SER 415  16.985  -2.350  -2.350
  122    H    GLU 416           HN       GLU 416  22.291  -1.186  -1.186
  123    HA   GLU 416           HA       GLU 416  22.483  -1.312  -1.312
  124   1HB   GLU 416           HB2      GLU 416  24.281  -0.483  -0.483
  125   2HB   GLU 416           HB1      GLU 416  24.712  -2.191  -2.191
  126   1HG   GLU 416           HG2      GLU 416  24.405  -0.849  -0.849
  127   2HG   GLU 416           HG1      GLU 416  25.906  -0.669  -0.669
  128    H    LYS 417           HN       LYS 417  20.879  -3.086  -3.086
  129    HA   LYS 417           HA       LYS 417  21.983  -5.781  -5.781
  130   1HB   LYS 417           HB2      LYS 417  19.693  -5.083  -5.083
  131   2HB   LYS 417           HB1      LYS 417  19.162  -5.092  -5.092
  132   1HG   LYS 417           HG2      LYS 417  20.194  -7.519  -7.519
  133   2HG   LYS 417           HG1      LYS 417  20.015  -7.397  -7.397
  134   1HD   LYS 417           HD2      LYS 417  18.017  -8.435  -8.435
  135   2HD   LYS 417           HD1      LYS 417  17.614  -6.866  -6.866
  136   1HE   LYS 417           HE2      LYS 417  16.533  -7.167  -7.167
  137   2HE   LYS 417           HE1      LYS 417  17.697  -5.849  -5.849
  138   1HZ   LYS 417           HZ3      LYS 417  18.450  -8.606  -8.606
  139   2HZ   LYS 417           HZ2      LYS 417  17.727  -7.530  -7.530
  140   3HZ   LYS 417           HZ1      LYS 417  19.232  -7.138  -7.138
  141    H    LYS 418           HN       LYS 418  23.252  -4.564  -4.564
  142    HA   LYS 418           HA       LYS 418  22.462  -6.304  -6.304
  143   1HB   LYS 418           HB2      LYS 418  21.351  -3.783  -3.783
  144   2HB   LYS 418           HB1      LYS 418  22.829  -3.513  -3.513
  145   1HG   LYS 418           HG2      LYS 418  21.656  -5.952  -5.952
  146   2HG   LYS 418           HG1      LYS 418  20.411  -4.694  -4.694
  147   1HD   LYS 418           HD2      LYS 418  21.526  -4.530  -4.530
  148   2HD   LYS 418           HD1      LYS 418  22.109  -3.177  -3.177
  149   1HE   LYS 418           HE2      LYS 418  23.702  -5.539  -5.539
  150   2HE   LYS 418           HE1      LYS 418  23.666  -5.176  -5.176
  151   1HZ   LYS 418           HZ1      LYS 418  24.316  -3.172  -3.172
  152   2HZ   LYS 418           HZ3      LYS 418  25.492  -4.087  -4.087
  153   3HZ   LYS 418           HZ2      LYS 418  24.494  -2.994  -2.994
  154    H    THR 419           HN       THR 419  24.475  -7.271  -7.271
  155    HA   THR 419           HA       THR 419  26.787  -7.570  -7.570
  156    HB   THR 419           HB       THR 419  27.665  -6.982  -6.982
  157    HG1  THR 419           HG1      THR 419  27.624  -4.797  -4.797
  158   1HG2  THR 419          HG23      THR 419  24.653  -7.086  -7.086
  159   2HG2  THR 419          HG22      THR 419  25.577  -6.915  -6.915
  160   3HG2  THR 419          HG21      THR 419  25.816  -8.326  -8.326
  161   1HN   NH2 420           HX1      THR 419  27.591  -5.295  -5.295
  162   2HN   NH2 420           HX2      THR 419  26.178  -4.588  -4.588

  Start of MODEL   31
    1   1H    ACE 402           HA1      ACE 402  12.598  -4.249  -4.249
    2   2H    ACE 402           HA2      ACE 402  13.687  -3.163  -3.163
    3   3H    ACE 402           HA3      ACE 402  14.315  -4.220  -4.220
    4    H    GLN 403           HN       GLN 403  12.323  -6.322  -6.322
    5    HA   GLN 403           HA       GLN 403  14.245  -7.539  -7.539
    6   1HB   GLN 403           HB2      GLN 403  11.556  -8.420  -8.420
    7   2HB   GLN 403           HB1      GLN 403  12.467  -9.361  -9.361
    8   1HG   GLN 403           HG2      GLN 403  13.578  -8.514  -8.514
    9   2HG   GLN 403           HG1      GLN 403  12.836 -10.084 -10.084
   10   1HE2  GLN 403          HE22      GLN 403  15.663 -11.365 -11.365
   11   2HE2  GLN 403          HE21      GLN 403  14.049 -11.643 -11.643
   12    H    ALA 404           HN       ALA 404  11.021  -6.381  -6.381
   13    HA   ALA 404           HA       ALA 404  10.214  -6.488  -6.488
   14   1HB   ALA 404           HB1      ALA 404   8.831  -5.909  -5.909
   15   2HB   ALA 404           HB3      ALA 404   9.610  -4.335  -4.335
   16   3HB   ALA 404           HB2      ALA 404   8.587  -4.787  -4.787
   17    H    GLU 405           HN       GLU 405  10.057  -4.548  -4.548
   18    HA   GLU 405           HA       GLU 405  12.529  -2.945  -2.945
   19   1HB   GLU 405           HB2      GLU 405  10.422  -3.561  -3.561
   20   2HB   GLU 405           HB1      GLU 405  11.100  -1.941  -1.941
   21   1HG   GLU 405           HG2      GLU 405  12.842  -4.414  -4.414
   22   2HG   GLU 405           HG1      GLU 405  12.276  -3.762  -3.762
   23    H    ARG 406           HN       ARG 406  10.327  -2.600  -2.600
   24    HA   ARG 406           HA       ARG 406   9.354   0.115   0.115
   25   1HB   ARG 406           HB2      ARG 406   7.993  -2.023  -2.023
   26   2HB   ARG 406           HB1      ARG 406   8.426  -1.377  -1.377
   27   1HG   ARG 406           HG2      ARG 406   7.470   0.790   0.790
   28   2HG   ARG 406           HG1      ARG 406   7.125   0.207   0.207
   29   1HD   ARG 406           HD2      ARG 406   5.449  -1.279  -1.279
   30   2HD   ARG 406           HD1      ARG 406   6.019  -1.206  -1.206
   31    HE   ARG 406           HE       ARG 406   4.694   0.726   0.726
   32   1HH1  ARG 406          HH21      ARG 406   5.781   2.630   2.630
   33   2HH1  ARG 406          HH22      ARG 406   4.579   2.826   2.826
   34   1HH2  ARG 406          HH11      ARG 406   2.925  -0.124  -0.124
   35   2HH2  ARG 406          HH12      ARG 406   2.940   1.247   1.247
   36    H    MET 407           HN       MET 407  10.255  -1.588  -1.588
   37    HA   MET 407           HA       MET 407  11.073   0.745   0.745
   38   1HB   MET 407           HB2      MET 407  11.788  -2.140  -2.140
   39   2HB   MET 407           HB1      MET 407  12.006  -0.813  -0.813
   40   1HG   MET 407           HG2      MET 407   9.796  -0.746  -0.746
   41   2HG   MET 407           HG1      MET 407   9.267  -1.055  -1.055
   42   1HE   MET 407           HE3      MET 407   9.223  -3.282  -3.282
   43   2HE   MET 407           HE2      MET 407  10.915  -3.606  -3.606
   44   3HE   MET 407           HE1      MET 407   9.699  -4.833  -4.833
   45    H    SER 408           HN       SER 408  12.822  -1.514  -1.514
   46    HA   SER 408           HA       SER 408  15.392  -0.227  -0.227
   47   1HB   SER 408           HB2      SER 408  15.162  -2.744  -2.744
   48   2HB   SER 408           HB1      SER 408  14.913  -2.385  -2.385
   49    HG   SER 408           HG       SER 408  16.948  -1.456  -1.456
   50    H    GLN 409           HN       GLN 409  12.952   0.892   0.892
   51    HA   GLN 409           HA       GLN 409  14.360   1.743   1.743
   52   1HB   GLN 409           HB2      GLN 409  12.062   0.799   0.799
   53   2HB   GLN 409           HB1      GLN 409  11.482   2.135   2.135
   54   1HG   GLN 409           HG2      GLN 409  11.048   2.949   2.949
   55   2HG   GLN 409           HG1      GLN 409  12.659   3.605   3.605
   56   1HE2  GLN 409          HE22      GLN 409  12.418   0.285   0.285
   57   2HE2  GLN 409          HE21      GLN 409  11.352   0.398   0.398
   58    H    ILE 410           HN       ILE 410  13.015   2.963   2.963
   59    HA   ILE 410           HA       ILE 410  13.319   5.755   5.755
   60    HB   ILE 410           HB       ILE 410  12.671   4.512   4.512
   61   1HG1  ILE 410          HG12      ILE 410  10.845   5.138   5.138
   62   2HG1  ILE 410          HG11      ILE 410  11.067   3.569   3.569
   63   1HG2  ILE 410          HG21      ILE 410  13.273   6.981   6.981
   64   2HG2  ILE 410          HG23      ILE 410  11.773   7.127   7.127
   65   3HG2  ILE 410          HG22      ILE 410  11.725   6.636   6.636
   66   1HD1  ILE 410          HD13      ILE 410  10.247   4.840   4.840
   67   2HD1  ILE 410          HD12      ILE 410   9.539   5.955   5.955
   68   3HD1  ILE 410          HD11      ILE 410   9.076   4.253   4.253
   69    H    LYS 411           HN       LYS 411  14.702   3.543   3.543
   70    HA   LYS 411           HA       LYS 411  16.966   5.381   5.381
   71   1HB   LYS 411           HB2      LYS 411  16.814   2.742   2.742
   72   2HB   LYS 411           HB1      LYS 411  17.377   4.285   4.285
   73   1HG   LYS 411           HG2      LYS 411  14.490   3.413   3.413
   74   2HG   LYS 411           HG1      LYS 411  15.307   3.707   3.707
   75   1HD   LYS 411           HD2      LYS 411  15.553   6.049   6.049
   76   2HD   LYS 411           HD1      LYS 411  13.860   5.571   5.571
   77   1HE   LYS 411           HE2      LYS 411  13.689   6.058   6.058
   78   2HE   LYS 411           HE1      LYS 411  15.320   5.488   5.488
   79   1HZ   LYS 411           HZ2      LYS 411  14.644   8.067   8.067
   80   2HZ   LYS 411           HZ1      LYS 411  15.135   7.891   7.891
   81   3HZ   LYS 411           HZ3      LYS 411  16.212   7.519   7.519
   82    H    ARG 412           HN       ARG 412  16.775   3.837   3.837
   83    HA   ARG 412           HA       ARG 412  18.567   1.698   1.698
   84   1HB   ARG 412           HB2      ARG 412  18.706   3.461   3.461
   85   2HB   ARG 412           HB1      ARG 412  18.390   1.763   1.763
   86   1HG   ARG 412           HG2      ARG 412  16.090   2.227   2.227
   87   2HG   ARG 412           HG1      ARG 412  16.441   3.937   3.937
   88   1HD   ARG 412           HD2      ARG 412  15.339   3.013   3.013
   89   2HD   ARG 412           HD1      ARG 412  16.901   3.764   3.764
   90    HE   ARG 412           HE       ARG 412  17.862   1.536   1.536
   91   1HH1  ARG 412          HH11      ARG 412  16.027  -0.027  -0.027
   92   2HH1  ARG 412          HH12      ARG 412  15.093  -0.928  -0.928
   93   1HH2  ARG 412          HH21      ARG 412  15.994   1.121   1.121
   94   2HH2  ARG 412          HH22      ARG 412  15.039  -0.247  -0.247
   95    H    LEU 413           HN       LEU 413  19.120   5.058   5.058
   96    HA   LEU 413           HA       LEU 413  21.807   5.363   5.363
   97   1HB   LEU 413           HB2      LEU 413  20.821   6.776   6.776
   98   2HB   LEU 413           HB1      LEU 413  21.852   7.399   7.399
   99    HG   LEU 413           HG       LEU 413  18.834   6.964   6.964
  100   1HD1  LEU 413          HD11      LEU 413  20.611   9.398   9.398
  101   2HD1  LEU 413          HD13      LEU 413  18.856   9.382   9.382
  102   3HD1  LEU 413          HD12      LEU 413  19.597   9.050   9.050
  103   1HD2  LEU 413          HD23      LEU 413  20.775   7.628   7.628
  104   2HD2  LEU 413          HD22      LEU 413  19.710   6.226   6.226
  105   3HD2  LEU 413          HD21      LEU 413  19.029   7.838   7.838
  106    H    LEU 414           HN       LEU 414  20.454   4.339   4.339
  107    HA   LEU 414           HA       LEU 414  23.075   3.658   3.658
  108   1HB   LEU 414           HB2      LEU 414  21.836   4.800   4.800
  109   2HB   LEU 414           HB1      LEU 414  20.310   4.192   4.192
  110    HG   LEU 414           HG       LEU 414  22.027   2.091   2.091
  111   1HD1  LEU 414          HD13      LEU 414  21.181   4.487   4.487
  112   2HD1  LEU 414          HD12      LEU 414  21.312   2.894   2.894
  113   3HD1  LEU 414          HD11      LEU 414  22.728   3.640   3.640
  114   1HD2  LEU 414          HD22      LEU 414  19.563   2.059   2.059
  115   2HD2  LEU 414          HD21      LEU 414  19.924   1.346   1.346
  116   3HD2  LEU 414          HD23      LEU 414  19.229   2.964   2.964
  117    H    SER 415           HN       SER 415  20.118   2.105   2.105
  118    HA   SER 415           HA       SER 415  20.576  -0.515  -0.515
  119   1HB   SER 415           HB2      SER 415  18.562   0.629   0.629
  120   2HB   SER 415           HB1      SER 415  19.300  -0.299  -0.299
  121    HG   SER 415           HG       SER 415  17.907  -1.694  -1.694
  122    H    GLU 416           HN       GLU 416  22.177  -1.937  -1.937
  123    HA   GLU 416           HA       GLU 416  23.592  -1.754  -1.754
  124   1HB   GLU 416           HB2      GLU 416  24.835  -1.309  -1.309
  125   2HB   GLU 416           HB1      GLU 416  24.744  -3.057  -3.057
  126   1HG   GLU 416           HG2      GLU 416  25.870  -3.382  -3.382
  127   2HG   GLU 416           HG1      GLU 416  25.983  -1.629  -1.629
  128    H    LYS 417           HN       LYS 417  21.086  -3.407  -3.407
  129    HA   LYS 417           HA       LYS 417  22.083  -6.015  -6.015
  130   1HB   LYS 417           HB2      LYS 417  21.491  -5.629  -5.629
  131   2HB   LYS 417           HB1      LYS 417  19.917  -6.092  -6.092
  132   1HG   LYS 417           HG2      LYS 417  22.408  -7.686  -7.686
  133   2HG   LYS 417           HG1      LYS 417  21.468  -7.991  -7.991
  134   1HD   LYS 417           HD2      LYS 417  20.237  -7.989  -7.989
  135   2HD   LYS 417           HD1      LYS 417  20.884  -9.442  -9.442
  136   1HE   LYS 417           HE2      LYS 417  19.052  -9.690  -9.690
  137   2HE   LYS 417           HE1      LYS 417  19.127  -8.012  -8.012
  138   1HZ   LYS 417           HZ3      LYS 417  18.058  -7.333  -7.333
  139   2HZ   LYS 417           HZ2      LYS 417  17.963  -8.967  -8.967
  140   3HZ   LYS 417           HZ1      LYS 417  17.072  -8.438  -8.438
  141    H    LYS 418           HN       LYS 418  21.003  -4.221  -4.221
  142    HA   LYS 418           HA       LYS 418  18.081  -4.471  -4.471
  143   1HB   LYS 418           HB2      LYS 418  19.624  -2.483  -2.483
  144   2HB   LYS 418           HB1      LYS 418  19.814  -3.440  -3.440
  145   1HG   LYS 418           HG2      LYS 418  17.082  -3.562  -3.562
  146   2HG   LYS 418           HG1      LYS 418  17.485  -1.928  -1.928
  147   1HD   LYS 418           HD2      LYS 418  17.029  -1.698  -1.698
  148   2HD   LYS 418           HD1      LYS 418  18.788  -1.739  -1.739
  149   1HE   LYS 418           HE2      LYS 418  18.078  -3.203  -3.203
  150   2HE   LYS 418           HE1      LYS 418  18.700  -4.198  -4.198
  151   1HZ   LYS 418           HZ3      LYS 418  15.948  -3.819  -3.819
  152   2HZ   LYS 418           HZ2      LYS 418  16.139  -4.245  -4.245
  153   3HZ   LYS 418           HZ1      LYS 418  16.759  -5.271  -5.271
  154    H    THR 419           HN       THR 419  17.883  -6.736  -6.736
  155    HA   THR 419           HA       THR 419  17.724  -8.841  -8.841
  156    HB   THR 419           HB       THR 419  16.616  -8.791  -8.791
  157    HG1  THR 419           HG1      THR 419  18.146  -7.236  -7.236
  158   1HG2  THR 419          HG23      THR 419  15.398  -7.894  -7.894
  159   2HG2  THR 419          HG22      THR 419  15.976  -6.278  -6.278
  160   3HG2  THR 419          HG21      THR 419  14.881  -7.125  -7.125
  161   1HN   NH2 420           HX1      THR 419  20.936  -8.636  -8.636
  162   2HN   NH2 420           HX2      THR 419  20.336 -10.145 -10.145

  Start of MODEL   32
    1   1H    ACE 402           HA1      ACE 402   9.790  -2.925  -2.925
    2   2H    ACE 402           HA2      ACE 402  11.538  -2.785  -2.785
    3   3H    ACE 402           HA3      ACE 402  10.822  -3.357  -3.357
    4    H    GLN 403           HN       GLN 403   8.832  -5.012  -5.012
    5    HA   GLN 403           HA       GLN 403  10.470  -7.399  -7.399
    6   1HB   GLN 403           HB2      GLN 403   8.177  -7.410  -7.410
    7   2HB   GLN 403           HB1      GLN 403   7.490  -7.153  -7.153
    8   1HG   GLN 403           HG2      GLN 403   7.451  -9.522  -9.522
    9   2HG   GLN 403           HG1      GLN 403   8.770  -9.225  -9.225
   10   1HE2  GLN 403          HE22      GLN 403   9.658 -10.433 -10.433
   11   2HE2  GLN 403          HE21      GLN 403   8.110  -9.821  -9.821
   12    H    ALA 404           HN       ALA 404   8.219  -5.442  -5.442
   13    HA   ALA 404           HA       ALA 404   8.633  -6.407  -6.407
   14   1HB   ALA 404           HB2      ALA 404   6.698  -4.947  -4.947
   15   2HB   ALA 404           HB1      ALA 404   7.838  -3.628  -3.628
   16   3HB   ALA 404           HB3      ALA 404   7.440  -4.357  -4.357
   17    H    GLU 405           HN       GLU 405   9.773  -4.994  -4.994
   18    HA   GLU 405           HA       GLU 405  12.268  -3.884  -3.884
   19   1HB   GLU 405           HB2      GLU 405  11.323  -4.702  -4.702
   20   2HB   GLU 405           HB1      GLU 405  12.396  -3.305  -3.305
   21   1HG   GLU 405           HG2      GLU 405  13.005  -5.951  -5.951
   22   2HG   GLU 405           HG1      GLU 405  13.631  -5.470  -5.470
   23    H    ARG 406           HN       ARG 406   9.460  -2.600  -2.600
   24    HA   ARG 406           HA       ARG 406   9.835   0.022   0.022
   25   1HB   ARG 406           HB2      ARG 406   7.684  -1.085  -1.085
   26   2HB   ARG 406           HB1      ARG 406   7.476  -1.201  -1.201
   27   1HG   ARG 406           HG2      ARG 406   6.192   0.694   0.694
   28   2HG   ARG 406           HG1      ARG 406   7.619   1.317   1.317
   29   1HD   ARG 406           HD2      ARG 406   8.736   1.614   1.614
   30   2HD   ARG 406           HD1      ARG 406   7.270   1.041   1.041
   31    HE   ARG 406           HE       ARG 406   6.931   3.371   3.371
   32   1HH1  ARG 406          HH21      ARG 406   4.972   2.806   2.806
   33   2HH1  ARG 406          HH22      ARG 406   5.413   3.904   3.904
   34   1HH2  ARG 406          HH11      ARG 406   8.586   4.492   4.492
   35   2HH2  ARG 406          HH12      ARG 406   7.489   4.873   4.873
   36    H    MET 407           HN       MET 407   8.677  -1.158  -1.158
   37    HA   MET 407           HA       MET 407   9.448   1.219   1.219
   38   1HB   MET 407           HB2      MET 407   8.856  -1.553  -1.553
   39   2HB   MET 407           HB1      MET 407   8.972  -0.100  -0.100
   40   1HG   MET 407           HG2      MET 407   6.914   0.666   0.666
   41   2HG   MET 407           HG1      MET 407   7.071   0.044   0.044
   42   1HE   MET 407           HE3      MET 407   6.942  -2.339  -2.339
   43   2HE   MET 407           HE2      MET 407   7.942  -3.025  -3.025
   44   3HE   MET 407           HE1      MET 407   6.342  -3.690  -3.690
   45    H    SER 408           HN       SER 408  10.982  -1.806  -1.806
   46    HA   SER 408           HA       SER 408  13.293  -1.383  -1.383
   47   1HB   SER 408           HB2      SER 408  12.260  -3.541  -3.541
   48   2HB   SER 408           HB1      SER 408  13.653  -3.104  -3.104
   49    HG   SER 408           HG       SER 408  13.563  -4.373  -4.373
   50    H    GLN 409           HN       GLN 409  12.265   0.194   0.194
   51    HA   GLN 409           HA       GLN 409  14.934   0.759   0.759
   52   1HB   GLN 409           HB2      GLN 409  12.881  -0.042  -0.042
   53   2HB   GLN 409           HB1      GLN 409  12.372   1.632   1.632
   54   1HG   GLN 409           HG2      GLN 409  13.610   1.712   1.712
   55   2HG   GLN 409           HG1      GLN 409  14.895   2.054   2.054
   56   1HE2  GLN 409          HE22      GLN 409  14.740  -1.793  -1.793
   57   2HE2  GLN 409          HE21      GLN 409  13.274  -0.958  -0.958
   58    H    ILE 410           HN       ILE 410  12.988   2.259   2.259
   59    HA   ILE 410           HA       ILE 410  13.033   4.967   4.967
   60    HB   ILE 410           HB       ILE 410  12.513   3.942   3.942
   61   1HG1  ILE 410          HG12      ILE 410  10.764   4.172   4.172
   62   2HG1  ILE 410          HG11      ILE 410  11.052   2.755   2.755
   63   1HG2  ILE 410          HG23      ILE 410  12.908   6.459   6.459
   64   2HG2  ILE 410          HG22      ILE 410  11.326   6.350   6.350
   65   3HG2  ILE 410          HG21      ILE 410  11.496   6.018   6.018
   66   1HD1  ILE 410          HD12      ILE 410  10.026   4.386   4.386
   67   2HD1  ILE 410          HD11      ILE 410   9.207   5.046   5.046
   68   3HD1  ILE 410          HD13      ILE 410   9.016   3.343   3.343
   69    H    LYS 411           HN       LYS 411  14.257   4.730   4.730
   70    HA   LYS 411           HA       LYS 411  16.685   6.215   6.215
   71   1HB   LYS 411           HB2      LYS 411  15.229   5.673   5.673
   72   2HB   LYS 411           HB1      LYS 411  16.974   5.831   5.831
   73   1HG   LYS 411           HG2      LYS 411  16.167   8.040   8.040
   74   2HG   LYS 411           HG1      LYS 411  16.738   7.974   7.974
   75   1HD   LYS 411           HD2      LYS 411  14.523   7.761   7.761
   76   2HD   LYS 411           HD1      LYS 411  13.858   7.392   7.392
   77   1HE   LYS 411           HE2      LYS 411  15.278   9.988   9.988
   78   2HE   LYS 411           HE1      LYS 411  13.793   9.878   9.878
   79   1HZ   LYS 411           HZ1      LYS 411  13.970   9.134   9.134
   80   2HZ   LYS 411           HZ3      LYS 411  13.482  10.663  10.663
   81   3HZ   LYS 411           HZ2      LYS 411  12.561   9.291   9.291
   82    H    ARG 412           HN       ARG 412  16.707   3.528   3.528
   83    HA   ARG 412           HA       ARG 412  18.555   2.006   2.006
   84   1HB   ARG 412           HB2      ARG 412  16.830   1.461   1.461
   85   2HB   ARG 412           HB1      ARG 412  17.974   0.307   0.307
   86   1HG   ARG 412           HG2      ARG 412  16.249  -0.284  -0.284
   87   2HG   ARG 412           HG1      ARG 412  16.825   1.109   1.109
   88   1HD   ARG 412           HD2      ARG 412  15.233   2.553   2.553
   89   2HD   ARG 412           HD1      ARG 412  14.673   1.211   1.211
   90    HE   ARG 412           HE       ARG 412  13.166   0.889   0.889
   91   1HH1  ARG 412          HH11      ARG 412  15.115  -0.696  -0.696
   92   2HH1  ARG 412          HH12      ARG 412  15.231   0.150   0.150
   93   1HH2  ARG 412          HH21      ARG 412  13.788   3.055   3.055
   94   2HH2  ARG 412          HH22      ARG 412  14.470   2.299   2.299
   95    H    LEU 413           HN       LEU 413  19.125   4.429   4.429
   96    HA   LEU 413           HA       LEU 413  21.063   3.171   3.171
   97   1HB   LEU 413           HB2      LEU 413  20.911   6.156   6.156
   98   2HB   LEU 413           HB1      LEU 413  21.267   5.243   5.243
   99    HG   LEU 413           HG       LEU 413  18.558   5.755   5.755
  100   1HD1  LEU 413          HD13      LEU 413  19.578   7.351   7.351
  101   2HD1  LEU 413          HD12      LEU 413  19.511   6.044   6.044
  102   3HD1  LEU 413          HD11      LEU 413  18.021   6.672   6.672
  103   1HD2  LEU 413          HD23      LEU 413  19.424   3.488   3.488
  104   2HD2  LEU 413          HD22      LEU 413  18.166   3.540   3.540
  105   3HD2  LEU 413          HD21      LEU 413  17.872   4.244   4.244
  106    H    LEU 414           HN       LEU 414  21.347   3.410   3.410
  107    HA   LEU 414           HA       LEU 414  23.962   4.734   4.734
  108   1HB   LEU 414           HB2      LEU 414  21.699   4.110   4.110
  109   2HB   LEU 414           HB1      LEU 414  23.227   3.657   3.657
  110    HG   LEU 414           HG       LEU 414  22.633   5.964   5.964
  111   1HD1  LEU 414          HD13      LEU 414  25.054   5.304   5.304
  112   2HD1  LEU 414          HD12      LEU 414  24.881   6.098   6.098
  113   3HD1  LEU 414          HD11      LEU 414  24.700   7.030   7.030
  114   1HD2  LEU 414          HD21      LEU 414  21.384   6.192   6.192
  115   2HD2  LEU 414          HD23      LEU 414  22.062   7.616   7.616
  116   3HD2  LEU 414          HD22      LEU 414  22.935   6.841   6.841
  117    H    SER 415           HN       SER 415  22.411   1.568   1.568
  118    HA   SER 415           HA       SER 415  25.101   0.308   0.308
  119   1HB   SER 415           HB2      SER 415  22.790  -0.059  -0.059
  120   2HB   SER 415           HB1      SER 415  22.761  -1.443  -1.443
  121    HG   SER 415           HG       SER 415  24.703  -2.125  -2.125
  122    H    GLU 416           HN       GLU 416  25.037  -2.097  -2.097
  123    HA   GLU 416           HA       GLU 416  24.795  -1.889  -1.889
  124   1HB   GLU 416           HB2      GLU 416  25.698  -4.208  -4.208
  125   2HB   GLU 416           HB1      GLU 416  26.664  -3.135  -3.135
  126   1HG   GLU 416           HG2      GLU 416  24.477  -4.602  -4.602
  127   2HG   GLU 416           HG1      GLU 416  25.815  -5.590  -5.590
  128    H    LYS 417           HN       LYS 417  22.362  -1.436  -1.436
  129    HA   LYS 417           HA       LYS 417  20.688  -3.848  -3.848
  130   1HB   LYS 417           HB2      LYS 417  20.160  -1.294  -1.294
  131   2HB   LYS 417           HB1      LYS 417  19.515  -1.286  -1.286
  132   1HG   LYS 417           HG2      LYS 417  18.785  -3.462  -3.462
  133   2HG   LYS 417           HG1      LYS 417  17.895  -1.943  -1.943
  134   1HD   LYS 417           HD2      LYS 417  18.311  -3.731  -3.731
  135   2HD   LYS 417           HD1      LYS 417  16.883  -3.794  -3.794
  136   1HE   LYS 417           HE2      LYS 417  15.987  -1.971  -1.971
  137   2HE   LYS 417           HE1      LYS 417  17.482  -1.056  -1.056
  138   1HZ   LYS 417           HZ1      LYS 417  18.338  -2.394  -2.394
  139   2HZ   LYS 417           HZ3      LYS 417  16.720  -2.912  -2.912
  140   3HZ   LYS 417           HZ2      LYS 417  17.111  -1.246  -1.246
  141    H    LYS 418           HN       LYS 418  22.028  -4.778  -4.778
  142    HA   LYS 418           HA       LYS 418  20.560  -4.268  -4.268
  143   1HB   LYS 418           HB2      LYS 418  22.886  -3.062  -3.062
  144   2HB   LYS 418           HB1      LYS 418  23.536  -4.665  -4.665
  145   1HG   LYS 418           HG2      LYS 418  21.379  -3.488  -3.488
  146   2HG   LYS 418           HG1      LYS 418  23.070  -3.059  -3.059
  147   1HD   LYS 418           HD2      LYS 418  21.987  -5.892  -5.892
  148   2HD   LYS 418           HD1      LYS 418  22.339  -4.978  -4.978
  149   1HE   LYS 418           HE2      LYS 418  24.455  -5.711  -5.711
  150   2HE   LYS 418           HE1      LYS 418  24.656  -4.793  -4.793
  151   1HZ   LYS 418           HZ1      LYS 418  23.449  -7.521  -7.521
  152   2HZ   LYS 418           HZ3      LYS 418  25.127  -7.263  -7.263
  153   3HZ   LYS 418           HZ2      LYS 418  24.045  -6.651  -6.651
  154    H    THR 419           HN       THR 419  19.558  -6.130  -6.130
  155    HA   THR 419           HA       THR 419  19.086  -8.416  -8.416
  156    HB   THR 419           HB       THR 419  20.282  -9.488  -9.488
  157    HG1  THR 419           HG1      THR 419  22.355  -9.493  -9.493
  158   1HG2  THR 419          HG21      THR 419  20.208  -6.496  -6.496
  159   2HG2  THR 419          HG23      THR 419  21.003  -7.398  -7.398
  160   3HG2  THR 419          HG22      THR 419  19.307  -7.702  -7.702
  161   1HN   NH2 420           HX1      THR 419  20.412  -9.517  -9.517
  162   2HN   NH2 420           HX2      THR 419  20.816  -7.897  -7.897