*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   15-NOV-10   2L65              
*TITLE     HADDOCK CALCULATED MODEL OF THE COMPLEX OF THE RESISTANCE PROTEIN CALC
*TITLE    2 AND CALICHEAMICIN-GAMMA                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALC;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 27-181;                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MICROMONOSPORA ECHINOSPORA;                     
*SOURCE   3 ORGANISM_TAXID: 1877;                                                
*SOURCE   4 GENE: CALC;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET21A                                     
*KEYWDS    RESISTANCE PROTEIN, STRUCTURAL GENOMICS, PSI-1, PROTEIN STRUCTURE     
*KEYWDS   2 INITIATIVE, CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS, CESG, UNKNOWN 
*KEYWDS   3 FUNCTION                                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    4                                                                     
*AUTHOR    S.SINGH, J.L.MARKLEY, J.S.THORSON, CENTER FOR EUKARYOTIC STRUCTURAL   
*AUTHOR   2 GENOMICS (CESG)                                                      
*REVDAT   1   02-MAR-11 2L65    0                                                


!
! HADDOCK AIR restraints for 1st molecule
!
!
assign ( resid 25  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 26  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 27  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 30  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 33  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 34  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 38  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 63  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 64  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 66  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 67  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 69  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 83  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 84  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 85  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 86  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 87  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 90  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 133  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 136  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 140  and segid A)
       (
        ( resid  1  and segid B)
     or
        ( resid  2  and segid B)
     or
        ( resid  3  and segid B)
     or
        ( resid  4  and segid B)
     or
        ( resid  6  and segid B)
     or
        ( resid  5  and segid B)
       )  2.0 2.0 0.0
!
! HADDOCK AIR restraints for 2nd molecule
!
!
assign ( resid  1  and segid B)
       (
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 85  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 90  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 136  and segid A)
     or
        ( resid 140  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 139  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid  2  and segid B)
       (
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 85  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 90  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 136  and segid A)
     or
        ( resid 140  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 139  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid  3  and segid B)
       (
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 85  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 90  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 136  and segid A)
     or
        ( resid 140  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 139  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid  4  and segid B)
       (
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 85  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 90  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 136  and segid A)
     or
        ( resid 140  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 139  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid  6  and segid B)
       (
        ( resid 25  and segid A)
     or
        ( resid 26  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 38  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 85  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 90  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 136  and segid A)
     or
        ( resid 140  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 39  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 139  and segid A)
       )  2.0 2.0 0.0
!
! HADDOCK AIR restraints for 3rd molecule
!
!
! HADDOCK AIR restraints for 4th molecule
!
!
! HADDOCK AIR restraints for 5th molecule
!
!
! HADDOCK AIR restraints for 6th molecule
!

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASN   1           H1       ASN   1  -0.769  15.738  -8.874
    2    H2   ASN   1           H2       ASN   1   0.410  14.696  -9.488
    3    H3   ASN   1           H3       ASN   1   0.870  16.077  -8.634
    4   HD21  ASN   1          HD21      ASN   1  -0.968  10.812  -7.576
    5   HD22  ASN   1          HD22      ASN   1  -0.259  10.425  -9.105
    6    H    TYR   2           H        TYR   2   0.882  13.369  -5.328
    7    HH   TYR   2           HH       TYR   2   7.099  13.513 -10.663
    8    H    ASP   3           H        ASP   3   3.866  14.776  -6.855
    9    H    PHE   5           H        PHE   5   1.985  16.988  -4.933
   10    H    VAL   6           H        VAL   6   0.279  15.536  -1.490
   11    H    ARG   7           H        ARG   7  -2.152  13.054  -4.115
   12    HE   ARG   7           HE       ARG   7  -6.247  16.738  -0.478
   13   HH11  ARG   7          HH11      ARG   7  -7.412  18.201  -3.427
   14   HH12  ARG   7          HH12      ARG   7  -8.601  19.179  -2.628
   15   HH21  ARG   7          HH21      ARG   7  -7.833  17.985   0.594
   16   HH22  ARG   7          HH22      ARG   7  -8.850  19.051  -0.336
   17    H    HIS   8           H        HIS   8  -5.085  10.909  -2.729
   18    HD1  HIS   8           HD1      HIS   8  -3.817   7.271  -6.772
   19    H    SER   9           H        SER   9  -7.564   9.289  -5.953
   20    HG   SER   9           HG       SER   9 -10.562  11.759  -4.405
   21    H    VAL  10           H        VAL  10 -10.235   6.878  -3.561
   22    H    THR  11           H        THR  11 -12.218   4.319  -6.567
   23    HG1  THR  11           HG1      THR  11 -14.057   6.250  -8.008
   24    H    VAL  12           H        VAL  12 -15.465   3.206  -3.804
   25    H    LYS  13           H        LYS  13 -16.457  -0.676  -5.523
   26    HZ1  LYS  13           HZ1      LYS  13 -20.204  -1.213 -11.287
   27    HZ2  LYS  13           HZ2      LYS  13 -21.037  -1.349  -9.826
   28    HZ3  LYS  13           HZ3      LYS  13 -19.377  -1.703  -9.897
   29    H    ALA  14           H        ALA  14 -17.879  -0.877  -3.047
   30    H    ASP  15           H        ASP  15 -18.741  -3.369   0.152
   31    H    ARG  16           H        ARG  16 -19.202  -0.688   3.695
   32    HE   ARG  16           HE       ARG  16 -16.625   2.985   7.970
   33   HH11  ARG  16          HH11      ARG  16 -17.205   0.343  10.191
   34   HH12  ARG  16          HH12      ARG  16 -16.827   1.278  11.604
   35   HH21  ARG  16          HH21      ARG  16 -16.148   4.241   9.832
   36   HH22  ARG  16          HH22      ARG  16 -16.217   3.473  11.403
   37    H    LYS  17           H        LYS  17 -18.068  -2.802   4.983
   38    HZ1  LYS  17           HZ1      LYS  17 -21.889  -4.622  10.053
   39    HZ2  LYS  17           HZ2      LYS  17 -20.825  -5.875  10.448
   40    HZ3  LYS  17           HZ3      LYS  17 -21.509  -5.803   8.904
   41    H    THR  18           H        THR  18 -17.205  -4.604   3.285
   42    HG1  THR  18           HG1      THR  18 -18.144  -4.866   1.698
   43    H    ALA  19           H        ALA  19 -15.220  -3.192   2.107
   44    H    PHE  20           H        PHE  20 -13.409  -2.922   3.932
   45    H    LYS  21           H        LYS  21 -12.652  -5.259   4.560
   46    HZ1  LYS  21           HZ1      LYS  21 -11.249 -12.801   6.494
   47    HZ2  LYS  21           HZ2      LYS  21 -10.920 -11.204   6.948
   48    HZ3  LYS  21           HZ3      LYS  21 -10.860 -11.656   5.311
   49    H    THR  22           H        THR  22 -11.246  -6.039   2.422
   50    HG1  THR  22           HG1      THR  22 -11.992  -5.709   0.514
   51    H    PHE  23           H        PHE  23  -8.904  -5.213   3.004
   52    H    LEU  24           H        LEU  24  -7.809  -5.281   4.795
   53    H    GLU  25           H        GLU  25  -7.131  -7.522   4.734
   54    H    GLY  26           H        GLY  26  -8.055  -9.201   3.617
   55    H    PHE  27           H        PHE  27  -4.924 -11.728   2.527
   56    H    GLU  29           H        GLU  29  -5.155 -12.463  -1.100
   57    H    TRP  30           H        TRP  30  -4.724 -11.951  -3.268
   58    HE1  TRP  30           HE1      TRP  30  -6.090  -7.730  -0.839
   59    H    TRP  31           H        TRP  31  -4.180  -9.917  -6.929
   60    HE1  TRP  31           HE1      TRP  31  -4.887 -15.549 -11.757
   61    H    ASN  33           H        ASN  33  -0.883  -8.491  -8.576
   62   HD21  ASN  33          HD21      ASN  33   3.758  -6.169  -9.855
   63   HD22  ASN  33          HD22      ASN  33   4.716  -6.967 -11.053
   64    H    ASN  34           H        ASN  34  -0.265 -10.691  -8.419
   65   HD21  ASN  34          HD21      ASN  34  -1.355 -12.972  -5.309
   66   HD22  ASN  34          HD22      ASN  34  -2.841 -12.217  -5.763
   67    H    PHE  35           H        PHE  35   1.871 -12.582  -9.034
   68    H    ARG  36           H        ARG  36   1.704 -15.070  -6.494
   69    HE   ARG  36           HE       ARG  36   6.644 -19.036  -7.458
   70   HH11  ARG  36          HH11      ARG  36   8.193 -16.355  -9.097
   71   HH12  ARG  36          HH12      ARG  36   9.567 -17.295  -9.597
   72   HH21  ARG  36          HH21      ARG  36   8.452 -20.268  -8.111
   73   HH22  ARG  36          HH22      ARG  36   9.728 -19.508  -9.007
   74    H    THR  37           H        THR  37   4.418 -17.666  -4.339
   75    HG1  THR  37           HG1      THR  37   3.598 -20.277  -3.029
   76    H    THR  38           H        THR  38   3.581 -16.969  -0.082
   77    HG1  THR  38           HG1      THR  38   5.649 -19.695  -0.844
   78    H    LYS  39           H        LYS  39   6.996 -16.407  -1.546
   79    HZ1  LYS  39           HZ1      LYS  39  13.316 -14.549  -2.105
   80    HZ2  LYS  39           HZ2      LYS  39  14.260 -15.500  -1.077
   81    HZ3  LYS  39           HZ3      LYS  39  13.348 -14.226  -0.440
   82    H    VAL  40           H        VAL  40   5.694 -14.306  -2.078
   83    H    GLY  41           H        GLY  41   3.275 -11.523  -0.454
   84    H    ALA  42           H        ALA  42   2.301 -12.611   1.445
   85    H    LEU  44           H        LEU  44  -0.358 -13.093   4.654
   86    H    GLY  45           H        GLY  45   1.578 -11.151   6.225
   87    H    VAL  46           H        VAL  46  -0.896  -8.605   6.423
   88    H    ASP  47           H        ASP  47   0.401  -5.699   9.599
   89    H    LYS  48           H        LYS  48  -2.212  -7.461  12.440
   90    HZ1  LYS  48           HZ1      LYS  48  -7.935  -8.981  10.819
   91    HZ2  LYS  48           HZ2      LYS  48  -7.865  -7.651  11.873
   92    HZ3  LYS  48           HZ3      LYS  48  -7.064  -9.080  12.272
   93    H    LYS  49           H        LYS  49  -1.052  -6.436  14.523
   94    HZ1  LYS  49           HZ1      LYS  49   0.759 -12.553  16.489
   95    HZ2  LYS  49           HZ2      LYS  49   1.489 -12.137  15.021
   96    HZ3  LYS  49           HZ3      LYS  49   0.196 -13.230  15.041
   97    H    GLY  50           H        GLY  50   0.643  -5.394  15.753
   98    H    GLY  51           H        GLY  51   0.847  -3.861  14.440
   99    H    ARG  52           H        ARG  52   1.377  -3.604  11.976
  100    HE   ARG  52           HE       ARG  52   4.838  -6.554  14.031
  101   HH11  ARG  52          HH11      ARG  52   8.020  -5.103  13.809
  102   HH12  ARG  52          HH12      ARG  52   8.828  -6.483  14.473
  103   HH21  ARG  52          HH21      ARG  52   5.912  -8.357  14.922
  104   HH22  ARG  52          HH22      ARG  52   7.641  -8.326  15.091
  105    H    TRP  53           H        TRP  53   4.636  -3.393   9.058
  106    HE1  TRP  53           HE1      TRP  53   1.114  -0.185   6.846
  107    H    TYR  54           H        TYR  54   3.610  -7.271   7.287
  108    HH   TYR  54           HH       TYR  54  11.680  -6.805  10.543
  109    H    GLU  55           H        GLU  55   6.508  -9.216   5.364
  110    H    ILE  56           H        ILE  56   4.512 -13.330   4.963
  111    H    ASP  57           H        ASP  57   8.295 -15.138   5.748
  112    H    GLU  58           H        GLU  58   9.382 -18.689   3.209
  113    H    GLN  59           H        GLN  59  11.636 -18.178   4.774
  114   HE21  GLN  59          HE21      GLN  59  13.298 -16.979   2.722
  115   HE22  GLN  59          HE22      GLN  59  14.710 -16.883   1.709
  116    H    GLY  60           H        GLY  60  10.889 -17.164   6.648
  117    H    GLU  61           H        GLU  61  10.903 -13.397   9.040
  118    H    GLU  62           H        GLU  62   9.307 -11.716   5.129
  119    H    HIS  63           H        HIS  63   9.467  -9.838   2.542
  120    HE2  HIS  63           HE2      HIS  63   5.846  -9.663   0.065
  121    H    THR  64           H        THR  64   9.597  -5.314   2.916
  122    HG1  THR  64           HG1      THR  64   6.954  -4.437   6.996
  123    H    PHE  65           H        PHE  65   5.800  -3.613   4.085
  124    H    GLY  66           H        GLY  66   5.655  -1.639   5.321
  125    H    LEU  67           H        LEU  67   5.122   1.911   7.444
  126    H    ILE  68           H        ILE  68   2.869   0.672  11.056
  127    H    ARG  69           H        ARG  69   0.259   4.256  10.740
  128    HE   ARG  69           HE       ARG  69   3.574   9.009  11.433
  129   HH11  ARG  69          HH11      ARG  69   3.499   8.609  14.923
  130   HH12  ARG  69          HH12      ARG  69   4.486   9.999  15.222
  131   HH21  ARG  69          HH21      ARG  69   4.865  10.798  11.810
  132   HH22  ARG  69          HH22      ARG  69   5.277  11.255  13.438
  133    H    LYS  70           H        LYS  70  -1.771   4.793  12.135
  134    HZ1  LYS  70           HZ1      LYS  70  -4.847   9.016  14.706
  135    HZ2  LYS  70           HZ2      LYS  70  -6.117   9.093  15.815
  136    HZ3  LYS  70           HZ3      LYS  70  -5.767   7.628  15.037
  137    H    VAL  71           H        VAL  71  -4.467   2.891  14.918
  138    H    ASP  72           H        ASP  72  -7.251   4.057  12.786
  139    H    GLU  73           H        GLU  73  -9.659   1.690  14.138
  140    H    ASP  75           H        ASP  75 -11.680   3.255  10.036
  141    H    THR  76           H        THR  76 -10.734   4.888  10.521
  142    HG1  THR  76           HG1      THR  76 -11.175   7.917  10.135
  143    H    LEU  77           H        LEU  77  -7.508   6.292   8.096
  144    H    VAL  78           H        VAL  78  -3.878   5.105   9.974
  145    H    ILE  79           H        ILE  79  -1.040   6.290   6.971
  146    H    GLY  80           H        GLY  80   2.708   3.888   7.143
  147    H    TRP  81           H        TRP  81   4.869   5.821   3.972
  148    HE1  TRP  81           HE1      TRP  81   3.867   0.425  -0.598
  149    H    ARG  82           H        ARG  82   7.478   2.449   2.404
  150    HE   ARG  82           HE       ARG  82  11.938   0.843   5.317
  151   HH11  ARG  82          HH11      ARG  82  10.810  -1.998   3.597
  152   HH12  ARG  82          HH12      ARG  82  12.329  -2.824   3.700
  153   HH21  ARG  82          HH21      ARG  82  13.940  -0.241   5.462
  154   HH22  ARG  82          HH22      ARG  82  14.112  -1.820   4.763
  155    H    LEU  83           H        LEU  83  11.595   3.188   1.191
  156    H    ASN  84           H        ASN  84  11.864   3.000  -3.217
  157   HD21  ASN  84          HD21      ASN  84  11.401  -0.937  -4.502
  158   HD22  ASN  84          HD22      ASN  84  12.446  -2.116  -5.215
  159    H    GLY  85           H        GLY  85  15.205   0.543  -4.618
  160    H    PHE  86           H        PHE  86  19.047   0.818  -5.310
  161    H    GLY  87           H        GLY  87  21.953   0.091  -5.116
  162    H    ARG  88           H        ARG  88  21.665   0.981  -1.515
  163    HE   ARG  88           HE       ARG  88  16.641   2.562  -1.273
  164   HH11  ARG  88          HH11      ARG  88  19.234   1.287   0.720
  165   HH12  ARG  88          HH12      ARG  88  18.338  -0.114   1.213
  166   HH21  ARG  88          HH21      ARG  88  15.451   0.731  -0.593
  167   HH22  ARG  88          HH22      ARG  88  16.184  -0.427   0.468
  168    H    ILE  89           H        ILE  89  22.361   4.546   0.888
  169    H    ASP  90           H        ASP  90  20.448   2.290   4.442
  170    H    ASP  92           H        ASP  92  16.818   6.574   5.710
  171    H    ASN  93           H        ASN  93  13.182   7.008   6.518
  172   HD21  ASN  93          HD21      ASN  93  10.680  10.751   5.201
  173   HD22  ASN  93          HD22      ASN  93  10.844  12.440   5.526
  174    H    SER  94           H        SER  94  11.653   8.019   4.696
  175    HG   SER  94           HG       SER  94   9.597   4.745   5.254
  176    H    SER  95           H        SER  95   7.392   7.484   3.724
  177    HG   SER  95           HG       SER  95   7.383  10.655   1.147
  178    H    GLU  96           H        GLU  96   4.834  10.746   5.212
  179    H    PHE  97           H        PHE  97   0.959   8.387   5.725
  180    H    THR  98           H        THR  98  -2.363  10.768   4.353
  181    HG1  THR  98           HG1      THR  98  -2.584  12.503   6.103
  182    H    VAL  99           H        VAL  99  -5.136   7.905   6.170
  183    H    THR 100           H        THR 100  -8.556   8.718   3.584
  184    HG1  THR 100           HG1      THR 100  -9.396  11.054   3.476
  185    H    PHE 101           H        PHE 101 -11.912   7.210   6.022
  186    H    VAL 102           H        VAL 102 -14.590   6.802   2.538
  187    H    ALA 103           H        ALA 103 -18.544   7.104   4.324
  188    H    ASP 104           H        ASP 104 -20.646   5.071   0.928
  189    H    GLY 105           H        GLY 105 -24.305   6.436   1.915
  190    H    GLN 106           H        GLN 106 -23.501   3.968   2.375
  191   HE21  GLN 106          HE21      GLN 106 -24.675  -1.961   3.978
  192   HE22  GLN 106          HE22      GLN 106 -25.876  -2.404   5.140
  193    H    LYS 107           H        LYS 107 -24.407   2.001   0.271
  194    HZ1  LYS 107           HZ1      LYS 107 -28.945   1.323  -4.391
  195    HZ2  LYS 107           HZ2      LYS 107 -28.872   2.938  -4.880
  196    HZ3  LYS 107           HZ3      LYS 107 -29.314   2.558  -3.294
  197    H    LYS 108           H        LYS 108 -22.399   2.399  -0.556
  198    HZ1  LYS 108           HZ1      LYS 108 -23.324   5.190  -7.572
  199    HZ2  LYS 108           HZ2      LYS 108 -24.416   5.728  -6.405
  200    HZ3  LYS 108           HZ3      LYS 108 -24.914   4.615  -7.571
  201    H    THR 109           H        THR 109 -18.395   2.604  -2.293
  202    HG1  THR 109           HG1      THR 109 -18.283   1.165  -0.452
  203    H    ARG 110           H        ARG 110 -16.351   5.563   0.244
  204    HE   ARG 110           HE       ARG 110 -14.968   7.343  -5.902
  205   HH11  ARG 110          HH11      ARG 110 -16.816   9.971  -4.476
  206   HH12  ARG 110          HH12      ARG 110 -16.471  11.072  -5.771
  207   HH21  ARG 110          HH21      ARG 110 -14.551   8.785  -7.600
  208   HH22  ARG 110          HH22      ARG 110 -15.197  10.393  -7.549
  209    H    VAL 111           H        VAL 111 -12.579   6.264  -1.801
  210    H    ASP 112           H        ASP 112 -10.407   8.562   1.114
  211    H    VAL 113           H        VAL 113  -6.880  10.388  -0.913
  212    H    GLU 114           H        GLU 114  -4.992  11.601   2.833
  213    H    HIS 115           H        HIS 115  -2.713  15.195   1.840
  214    HE2  HIS 115           HE2      HIS 115   1.746  13.533   7.422
  215    H    THR 116           H        THR 116   0.470  16.515   4.368
  216    HG1  THR 116           HG1      THR 116  -0.825  18.206   1.704
  217    H    HIS 117           H        HIS 117   3.479  17.001   2.716
  218    HD1  HIS 117           HD1      HIS 117   4.485  17.062   8.641
  219    H    PHE 118           H        PHE 118   4.705  15.093   3.959
  220    H    ASP 119           H        ASP 119   5.023  15.739   1.573
  221    H    ARG 120           H        ARG 120   5.478  17.281   0.090
  222    HE   ARG 120           HE       ARG 120   2.480  20.678  -2.094
  223   HH11  ARG 120          HH11      ARG 120   3.316  22.887   0.487
  224   HH12  ARG 120          HH12      ARG 120   1.847  23.802   0.358
  225   HH21  ARG 120          HH21      ARG 120   0.532  21.889  -2.263
  226   HH22  ARG 120          HH22      ARG 120   0.259  23.236  -1.207
  227    H    MET 121           H        MET 121   8.164  16.074  -1.590
  228    H    GLY 122           H        GLY 122   9.045  15.814  -3.234
  229    H    THR 123           H        THR 123  10.016  15.324  -6.384
  230    HG1  THR 123           HG1      THR 123  10.888  17.370  -6.022
  231    H    LYS 124           H        LYS 124  14.224  15.203  -6.153
  232    HZ1  LYS 124           HZ1      LYS 124  18.660  15.182  -1.184
  233    HZ2  LYS 124           HZ2      LYS 124  19.524  15.287  -2.629
  234    HZ3  LYS 124           HZ3      LYS 124  19.057  13.779  -2.038
  235    H    HIS 125           H        HIS 125  13.733  13.111  -4.986
  236    HD1  HIS 125           HD1      HIS 125  13.076  13.571  -1.554
  237    H    ALA 126           H        ALA 126  11.908  12.188  -6.381
  238    H    LYS 127           H        LYS 127  12.386  10.964  -8.914
  239    HZ1  LYS 127           HZ1      LYS 127  14.821  12.231 -15.168
  240    HZ2  LYS 127           HZ2      LYS 127  15.370  13.373 -14.051
  241    HZ3  LYS 127           HZ3      LYS 127  14.120  13.773 -15.114
  242    H    ARG 128           H        ARG 128  13.715   9.043  -7.684
  243    HE   ARG 128           HE       ARG 128  16.691   7.612  -3.915
  244   HH11  ARG 128          HH11      ARG 128  18.529  10.572  -4.077
  245   HH12  ARG 128          HH12      ARG 128  19.319  10.334  -2.550
  246   HH21  ARG 128          HH21      ARG 128  17.724   7.287  -1.873
  247   HH22  ARG 128          HH22      ARG 128  18.868   8.460  -1.305
  248    H    VAL 129           H        VAL 129  12.000   7.433  -6.304
  249    H    ARG 130           H        ARG 130  10.558   6.671  -8.104
  250    HE   ARG 130           HE       ARG 130   5.862   6.847 -10.974
  251   HH11  ARG 130          HH11      ARG 130   7.360   9.366 -12.897
  252   HH12  ARG 130          HH12      ARG 130   6.431   8.994 -14.314
  253   HH21  ARG 130          HH21      ARG 130   4.681   6.349 -12.796
  254   HH22  ARG 130          HH22      ARG 130   4.898   7.264 -14.258
  255    H    ASN 131           H        ASN 131  11.710   4.469  -8.881
  256   HD21  ASN 131          HD21      ASN 131  13.802   5.656 -11.029
  257   HD22  ASN 131          HD22      ASN 131  14.703   5.407 -12.485
  258    H    GLY 132           H        GLY 132  10.459   2.344  -8.572
  259    H    MET 133           H        MET 133   9.265   1.845  -6.791
  260    H    ASP 134           H        ASP 134   7.478   2.740  -8.591
  261    H    LYS 135           H        LYS 135   7.027   0.547 -10.003
  262    HZ1  LYS 135           HZ1      LYS 135  12.393  -1.510 -13.149
  263    HZ2  LYS 135           HZ2      LYS 135  12.428  -0.510 -14.510
  264    HZ3  LYS 135           HZ3      LYS 135  11.478  -1.907 -14.512
  265    H    GLY 136           H        GLY 136   3.931  -0.166 -10.125
  266    H    TRP 137           H        TRP 137   3.459   0.176  -8.110
  267    HE1  TRP 137           HE1      TRP 137   0.431   2.631  -2.406
  268    H    THR 139           H        THR 139   0.310   0.472 -10.603
  269    HG1  THR 139           HG1      THR 139   1.419  -0.719 -12.946
  270    H    ILE 140           H        ILE 140  -0.844  -1.372  -9.082
  271    H    LEU 141           H        LEU 141  -2.741   0.039  -8.077
  272    H    GLN 142           H        GLN 142  -4.668   0.547  -9.954
  273   HE21  GLN 142          HE21      GLN 142  -7.003   3.006 -14.064
  274   HE22  GLN 142          HE22      GLN 142  -5.866   3.085 -15.361
  275    H    SER 143           H        SER 143  -5.469  -1.862 -10.447
  276    HG   SER 143           HG       SER 143  -4.309  -3.274 -11.510
  277    H    PHE 144           H        PHE 144  -6.572  -2.550  -8.167
  278    H    GLN 145           H        GLN 145  -8.980  -1.239  -8.008
  279   HE21  GLN 145          HE21      GLN 145 -10.428   2.453  -8.568
  280   HE22  GLN 145          HE22      GLN 145 -11.045   3.784  -9.484
  281    H    ASP 146           H        ASP 146 -10.508  -2.393 -10.034
  282    H    LYS 147           H        LYS 147 -10.594  -4.819  -9.054
  283    HZ1  LYS 147           HZ1      LYS 147  -9.414 -11.370  -4.704
  284    HZ2  LYS 147           HZ2      LYS 147  -9.352 -10.773  -6.288
  285    HZ3  LYS 147           HZ3      LYS 147 -10.721 -10.492  -5.333
  286    H    ILE 148           H        ILE 148 -11.985  -4.868  -6.624
  287    H    ASP 149           H        ASP 149 -14.170  -4.066  -7.715
  288    H    GLU 150           H        GLU 150 -15.078  -6.161  -9.109
  289    H    GLU 151           H        GLU 151 -15.554  -7.953  -7.289
  290    H    GLY 152           H        GLY 152 -18.514  -7.588  -7.029
  291    H    ALA 153           H        ALA 153 -19.586  -5.510  -7.441
  292    H    LYS 154           H        LYS 154 -19.545  -5.929  -9.749
  293    HZ1  LYS 154           HZ1      LYS 154 -14.665  -7.343 -13.310
  294    HZ2  LYS 154           HZ2      LYS 154 -14.384  -5.666 -13.358
  295    HZ3  LYS 154           HZ3      LYS 154 -14.566  -6.535 -14.794
  296    H    LYS 155           H        LYS 155 -19.881  -8.679  -9.588
  297    HZ1  LYS 155           HZ1      LYS 155 -15.762 -14.143 -11.509
  298    HZ2  LYS 155           HZ2      LYS 155 -15.329 -12.735 -12.352
  299    HZ3  LYS 155           HZ3      LYS 155 -15.692 -14.163 -13.196
  300    HO3  DAG 621           HO3      DAG 621  20.813  -8.367   1.912
  301    HO3  DSR 625           HO3      DSR 625  16.961  -2.970  -2.460
  302    HO2  MRP 627           HO2      MRP 627   4.347  -1.342  -5.620
  303    HO4  MRP 627           HO4      MRP 627   3.231  -5.580  -4.627
  304    HN4  EMP 628           HN4      EMP 628  25.702 -12.605  -0.808
  305    HAA  EMP 628           HAA      EMP 628  25.488 -11.208  -1.613
  306    HO8  MTC 629           HO8      MTC 629  26.344  -2.030  -0.922
  307    H11  MTC 629           H11      MTC 629  27.318  -7.852  -3.584
  Start of MODEL    2
    1    H1   ASN   1           H1       ASN 156  -0.360  15.658  -8.149
    2    H2   ASN   1           H2       ASN 156   0.879  14.984  -9.085
    3    H3   ASN   1           H3       ASN 156   1.248  16.098  -7.878
    4   HD21  ASN   1          HD21      ASN 156  -0.486  10.693  -8.534
    5   HD22  ASN   1          HD22      ASN 156   0.229  10.833 -10.104
    6    H    TYR   2           H1       TYR 157   1.823  13.136  -5.161
    7    HH   TYR   2           HH       TYR 157   5.159  10.440 -11.918
    8    H    ASP   3           H1       ASP 158   3.758  15.328  -5.305
    9    H    PHE   5           H1       PHE 160   1.952  17.416  -4.960
   10    H    VAL   6           H1       VAL 161   0.092  15.901  -1.610
   11    H    ARG   7           H1       ARG 162  -2.347  13.219  -4.202
   12    HE   ARG   7           HE       ARG 162  -7.348  16.433  -1.683
   13   HH11  ARG   7          HH11      ARG 162  -9.261  16.632  -4.596
   14   HH12  ARG   7          HH12      ARG 162 -10.754  16.881  -3.749
   15   HH21  ARG   7          HH21      ARG 162  -9.301  16.702  -0.561
   16   HH22  ARG   7          HH22      ARG 162 -10.781  16.917  -1.446
   17    H    HIS   8           H1       HIS 163  -5.194  11.222  -2.726
   18    HD1  HIS   8           HD1      HIS 163  -3.779   8.919  -7.136
   19    H    SER   9           H1       SER 164  -7.651   9.045  -5.705
   20    HG   SER   9           HG       SER 164  -9.253  10.784  -3.163
   21    H    VAL  10           H1       VAL 165 -10.272   6.592  -3.405
   22    H    THR  11           H1       THR 166 -12.519   4.597  -6.574
   23    HG1  THR  11           HG1      THR 166 -13.984   6.922  -5.595
   24    H    VAL  12           H1       VAL 167 -15.503   2.750  -4.118
   25    H    LYS  13           H1       LYS 168 -17.609  -0.357  -6.378
   26    HZ1  LYS  13           HZ1      LYS 168 -18.395  -0.531  -9.852
   27    HZ2  LYS  13           HZ2      LYS 168 -17.956   1.085  -9.621
   28    HZ3  LYS  13           HZ3      LYS 168 -18.255   0.507 -11.182
   29    H    ALA  14           H1       ALA 169 -18.224  -0.446  -2.976
   30    H    ASP  15           H1       ASP 170 -18.414  -3.274   0.210
   31    H    ARG  16           H1       ARG 171 -19.139  -0.754   3.849
   32    HE   ARG  16           HE       ARG 171 -16.187   3.057   8.011
   33   HH11  ARG  16          HH11      ARG 171 -17.790   0.895  10.244
   34   HH12  ARG  16          HH12      ARG 171 -17.267   1.751  11.662
   35   HH21  ARG  16          HH21      ARG 171 -15.480   4.192   9.877
   36   HH22  ARG  16          HH22      ARG 171 -15.934   3.617  11.462
   37    H    LYS  17           H1       LYS 172 -17.923  -2.979   5.052
   38    HZ1  LYS  17           HZ1      LYS 172 -20.068  -7.028  10.136
   39    HZ2  LYS  17           HZ2      LYS 172 -21.208  -6.802   8.913
   40    HZ3  LYS  17           HZ3      LYS 172 -21.336  -5.931  10.361
   41    H    THR  18           H1       THR 173 -17.076  -4.865   3.378
   42    HG1  THR  18           HG1      THR 173 -17.968  -4.864   1.838
   43    H    ALA  19           H1       ALA 174 -15.126  -3.214   2.027
   44    H    PHE  20           H1       PHE 175 -13.285  -2.758   3.906
   45    H    LYS  21           H1       LYS 176 -12.417  -5.122   4.404
   46    HZ1  LYS  21           HZ1      LYS 176 -13.179 -11.142   8.139
   47    HZ2  LYS  21           HZ2      LYS 176 -11.511 -11.337   7.901
   48    HZ3  LYS  21           HZ3      LYS 176 -12.570 -11.378   6.578
   49    H    THR  22           H1       THR 177 -10.954  -5.814   2.307
   50    HG1  THR  22           HG1      THR 177 -11.812  -5.649   0.469
   51    H    PHE  23           H1       PHE 178  -8.587  -4.946   2.845
   52    H    LEU  24           H1       LEU 179  -7.552  -5.322   4.557
   53    H    GLU  25           H1       GLU 180  -6.729  -7.475   4.732
   54    H    GLY  26           H1       GLY 181  -7.759  -8.979   3.801
   55    H    PHE  27           H1       PHE 182  -5.024 -11.980   2.433
   56    H    GLU  29           H1       GLU 184  -5.403 -12.706  -0.982
   57    H    TRP  30           H1       TRP 185  -4.737 -12.256  -3.143
   58    HE1  TRP  30           HE1      TRP 185  -5.833  -8.060  -0.702
   59    H    TRP  31           H1       TRP 186  -4.020 -10.105  -6.872
   60    HE1  TRP  31           HE1      TRP 186  -4.312 -15.353 -12.128
   61    H    ASN  33           H1       ASN 188  -0.906  -8.720  -8.319
   62   HD21  ASN  33          HD21      ASN 188   2.620  -5.381  -9.562
   63   HD22  ASN  33          HD22      ASN 188   4.114  -5.860 -10.281
   64    H    ASN  34           H1       ASN 189   0.218  -9.681  -6.964
   65   HD21  ASN  34          HD21      ASN 189  -0.355 -11.862  -3.001
   66   HD22  ASN  34          HD22      ASN 189  -1.845 -11.056  -3.329
   67    H    PHE  35           H1       PHE 190   2.384 -13.060  -7.981
   68    H    ARG  36           H1       ARG 191   2.627 -14.617  -6.260
   69    HE   ARG  36           HE       ARG 191   6.481 -18.412  -7.654
   70   HH11  ARG  36          HH11      ARG 191   8.648 -15.960  -8.894
   71   HH12  ARG  36          HH12      ARG 191   9.679 -17.096  -9.704
   72   HH21  ARG  36          HH21      ARG 191   7.821 -19.912  -8.741
   73   HH22  ARG  36          HH22      ARG 191   9.197 -19.348  -9.630
   74    H    THR  37           H1       THR 192   4.433 -17.581  -3.777
   75    HG1  THR  37           HG1      THR 192   1.345 -18.523  -2.965
   76    H    THR  38           H1       THR 193   3.632 -16.222   0.315
   77    HG1  THR  38           HG1      THR 193   8.207 -17.678   0.570
   78    H    LYS  39           H1       LYS 194   7.181 -16.149  -1.116
   79    HZ1  LYS  39           HZ1      LYS 194  12.310 -19.722  -0.990
   80    HZ2  LYS  39           HZ2      LYS 194  11.018 -19.562  -2.069
   81    HZ3  LYS  39           HZ3      LYS 194  10.718 -19.693  -0.412
   82    H    VAL  40           H1       VAL 195   5.795 -14.176  -1.678
   83    H    GLY  41           H1       GLY 196   3.671 -11.888  -0.674
   84    H    ALA  42           H1       ALA 197   2.215 -12.491   1.305
   85    H    LEU  44           H1       LEU 199   0.366 -13.976   5.671
   86    H    GLY  45           H1       GLY 200   1.523 -11.261   6.458
   87    H    VAL  46           H1       VAL 201  -0.965  -8.816   6.568
   88    H    ASP  47           H1       ASP 202   0.413  -5.879   9.608
   89    H    LYS  48           H1       LYS 203  -2.168  -7.575  12.658
   90    HZ1  LYS  48           HZ1      LYS 203  -8.292  -9.517  12.648
   91    HZ2  LYS  48           HZ2      LYS 203  -7.804 -11.082  12.253
   92    HZ3  LYS  48           HZ3      LYS 203  -8.042  -9.946  11.023
   93    H    LYS  49           H1       LYS 204  -1.294  -6.883  14.731
   94    HZ1  LYS  49           HZ1      LYS 204   3.101 -11.217  17.005
   95    HZ2  LYS  49           HZ2      LYS 204   3.776 -10.666  15.554
   96    HZ3  LYS  49           HZ3      LYS 204   2.197 -11.269  15.575
   97    H    GLY  50           H1       GLY 205  -0.126  -5.188  15.445
   98    H    GLY  51           H1       GLY 206   1.182  -3.761  14.220
   99    H    ARG  52           H1       ARG 207   1.394  -3.571  11.664
  100    HE   ARG  52           HE       ARG 207   3.469  -5.319  13.784
  101   HH11  ARG  52          HH11      ARG 207   6.785  -5.547  14.860
  102   HH12  ARG  52          HH12      ARG 207   6.366  -5.862  16.511
  103   HH21  ARG  52          HH21      ARG 207   2.903  -5.769  15.925
  104   HH22  ARG  52          HH22      ARG 207   4.140  -6.008  17.119
  105    H    TRP  53           H1       TRP 208   4.454  -3.246   8.554
  106    HE1  TRP  53           HE1      TRP 208   0.794  -0.242   6.851
  107    H    TYR  54           H1       TYR 209   3.515  -7.264   6.966
  108    HH   TYR  54           HH       TYR 209  12.132  -7.326   9.044
  109    H    GLU  55           H1       GLU 210   6.411  -9.111   4.921
  110    H    ILE  56           H1       ILE 211   4.428 -13.216   5.108
  111    H    ASP  57           H1       ASP 212   8.170 -15.426   5.972
  112    H    GLU  58           H1       GLU 213   8.998 -18.979   3.411
  113    H    GLN  59           H1       GLN 214  11.330 -18.521   4.497
  114   HE21  GLN  59          HE21      GLN 214  12.493 -17.178   2.192
  115   HE22  GLN  59          HE22      GLN 214  13.706 -16.524   1.133
  116    H    GLY  60           H1       GLY 215  10.805 -17.449   6.572
  117    H    GLU  61           H1       GLU 216  11.988 -13.894   7.727
  118    H    GLU  62           H1       GLU 217   9.103 -11.412   5.358
  119    H    HIS  63           H1       HIS 218   9.756  -9.654   1.732
  120    HE2  HIS  63           HE2      HIS 218   5.913  -9.470  -0.486
  121    H    THR  64           H1       THR 219   9.382  -5.160   2.556
  122    HG1  THR  64           HG1      THR 219   6.822  -4.147   6.637
  123    H    PHE  65           H1       PHE 220   5.470  -3.750   3.655
  124    H    GLY  66           H1       GLY 221   5.416  -1.794   4.985
  125    H    LEU  67           H1       LEU 222   4.768   1.744   7.198
  126    H    ILE  68           H1       ILE 223   2.673   0.337  10.830
  127    H    ARG  69           H1       ARG 224   0.660   4.205  10.840
  128    HE   ARG  69           HE       ARG 224   2.728   8.933  11.782
  129   HH11  ARG  69          HH11      ARG 224   0.526  10.483  14.055
  130   HH12  ARG  69          HH12      ARG 224   0.635  12.038  13.298
  131   HH21  ARG  69          HH21      ARG 224   2.888  10.985  10.798
  132   HH22  ARG  69          HH22      ARG 224   1.980  12.331  11.448
  133    H    LYS  70           H1       LYS 225  -1.216   4.497  12.018
  134    HZ1  LYS  70           HZ1      LYS 225  -5.124   8.470  16.893
  135    HZ2  LYS  70           HZ2      LYS 225  -6.146   7.626  17.941
  136    HZ3  LYS  70           HZ3      LYS 225  -6.183   7.294  16.281
  137    H    VAL  71           H1       VAL 226  -4.140   3.238  14.665
  138    H    ASP  72           H1       ASP 227  -7.477   3.905  12.644
  139    H    GLU  73           H1       GLU 228  -9.734   1.512  14.172
  140    H    ASP  75           H1       ASP 230 -11.603   3.566  10.228
  141    H    THR  76           H1       THR 231 -10.645   5.346  11.001
  142    HG1  THR  76           HG1      THR 231 -10.943   7.859  11.262
  143    H    LEU  77           H1       LEU 232  -7.488   6.556   8.346
  144    H    VAL  78           H1       VAL 233  -3.915   5.101  10.038
  145    H    ILE  79           H1       ILE 234  -1.114   6.210   7.047
  146    H    GLY  80           H1       GLY 235   2.639   3.833   7.154
  147    H    TRP  81           H1       TRP 236   4.923   5.782   3.938
  148    HE1  TRP  81           HE1      TRP 236   4.512   0.709  -1.172
  149    H    ARG  82           H1       ARG 237   7.271   2.414   2.017
  150    HE   ARG  82           HE       ARG 237  11.569  -0.176   4.730
  151   HH11  ARG  82          HH11      ARG 237  10.016  -2.131   2.260
  152   HH12  ARG  82          HH12      ARG 237  11.503  -2.848   1.713
  153   HH21  ARG  82          HH21      ARG 237  13.516  -1.104   4.023
  154   HH22  ARG  82          HH22      ARG 237  13.503  -2.237   2.707
  155    H    LEU  83           H1       LEU 238  11.555   2.890   1.451
  156    H    ASN  84           H1       ASN 239  12.025   3.237  -2.929
  157   HD21  ASN  84          HD21      ASN 239  10.633  -0.380  -4.478
  158   HD22  ASN  84          HD22      ASN 239  11.401  -1.797  -5.100
  159    H    GLY  85           H1       GLY 240  14.965   0.362  -4.586
  160    H    PHE  86           H1       PHE 241  19.090   1.080  -5.369
  161    H    GLY  87           H1       GLY 242  21.907   0.405  -5.391
  162    H    ARG  88           H1       ARG 243  21.830   0.975  -1.530
  163    HE   ARG  88           HE       ARG 243  16.315   2.741  -1.230
  164   HH11  ARG  88          HH11      ARG 243  18.489   1.761   1.341
  165   HH12  ARG  88          HH12      ARG 243  17.481   0.447   1.857
  166   HH21  ARG  88          HH21      ARG 243  14.946   1.062  -0.474
  167   HH22  ARG  88          HH22      ARG 243  15.471   0.062   0.842
  168    H    ILE  89           H1       ILE 244  21.655   4.684   0.786
  169    H    ASP  90           H1       ASP 245  21.101   3.450   5.057
  170    H    ASP  92           H1       ASP 247  16.851   5.939   5.354
  171    H    ASN  93           H1       ASN 248  13.128   7.141   6.639
  172   HD21  ASN  93          HD21      ASN 248  13.143  11.526   3.938
  173   HD22  ASN  93          HD22      ASN 248  11.659  12.075   3.233
  174    H    SER  94           H1       SER 249  11.048   7.191   5.114
  175    HG   SER  94           HG       SER 249  10.670   6.717   8.811
  176    H    SER  95           H1       SER 250   7.911   7.474   3.991
  177    HG   SER  95           HG       SER 250   8.670   9.490   2.705
  178    H    GLU  96           H1       GLU 251   5.067  10.202   5.701
  179    H    PHE  97           H1       PHE 252   0.998   8.149   5.556
  180    H    THR  98           H1       THR 253  -2.228  10.907   4.676
  181    HG1  THR  98           HG1      THR 253  -3.011  12.626   7.663
  182    H    VAL  99           H1       VAL 254  -5.085   7.917   6.204
  183    H    THR 100           H1       THR 255  -8.522   8.921   3.650
  184    HG1  THR 100           HG1      THR 255  -9.249  11.332   3.699
  185    H    PHE 101           H1       PHE 256 -11.940   7.542   6.129
  186    H    VAL 102           H1       VAL 257 -14.532   7.042   2.602
  187    H    ALA 103           H1       ALA 258 -18.469   7.277   4.261
  188    H    ASP 104           H1       ASP 259 -20.750   5.389   0.897
  189    H    GLY 105           H1       GLY 260 -24.617   6.634   1.826
  190    H    GLN 106           H1       GLN 261 -23.641   4.233   2.325
  191   HE21  GLN 106          HE21      GLN 261 -24.485   0.469   6.806
  192   HE22  GLN 106          HE22      GLN 261 -26.034   0.472   7.567
  193    H    LYS 107           H1       LYS 262 -24.037   2.329   0.275
  194    HZ1  LYS 107           HZ1      LYS 262 -26.557  -1.749  -4.108
  195    HZ2  LYS 107           HZ2      LYS 262 -27.198  -0.922  -5.439
  196    HZ3  LYS 107           HZ3      LYS 262 -28.039  -0.945  -3.976
  197    H    LYS 108           H1       LYS 263 -22.077   2.598  -0.383
  198    HZ1  LYS 108           HZ1      LYS 263 -23.664   5.942  -6.849
  199    HZ2  LYS 108           HZ2      LYS 263 -22.151   6.691  -6.946
  200    HZ3  LYS 108           HZ3      LYS 263 -23.175   7.015  -5.637
  201    H    THR 109           H1       THR 264 -18.258   2.542  -2.254
  202    HG1  THR 109           HG1      THR 264 -18.302   1.515   0.029
  203    H    ARG 110           H1       ARG 265 -16.524   5.811   0.094
  204    HE   ARG 110           HE       ARG 265 -18.847   8.883  -4.194
  205   HH11  ARG 110          HH11      ARG 265 -17.812  11.939  -2.813
  206   HH12  ARG 110          HH12      ARG 265 -18.875  12.888  -3.805
  207   HH21  ARG 110          HH21      ARG 265 -20.245  10.150  -5.491
  208   HH22  ARG 110          HH22      ARG 265 -20.273  11.872  -5.301
  209    H    VAL 111           H1       VAL 266 -12.780   6.036  -1.751
  210    H    ASP 112           H1       ASP 267 -10.507   8.411   1.241
  211    H    VAL 113           H1       VAL 268  -6.955  10.082  -0.804
  212    H    GLU 114           H1       GLU 269  -5.227  11.758   2.582
  213    H    HIS 115           H1       HIS 270  -2.371  14.855   1.310
  214    HE2  HIS 115           HE2      HIS 270   1.040  12.767   7.546
  215    H    THR 116           H1       THR 271   0.401  16.460   4.227
  216    HG1  THR 116           HG1      THR 271  -1.280  18.089   1.939
  217    H    HIS 117           H1       HIS 272   3.233  16.723   2.771
  218    HD1  HIS 117           HD1      HIS 272   3.481  18.117   8.312
  219    H    PHE 118           H1       PHE 273   4.653  15.023   4.242
  220    H    ASP 119           H1       ASP 274   4.557  14.963   1.859
  221    H    ARG 120           H1       ARG 275   5.806  16.629   0.748
  222    HE   ARG 120           HE       ARG 275   2.720  20.830  -1.692
  223   HH11  ARG 120          HH11      ARG 275   3.476  22.720   1.168
  224   HH12  ARG 120          HH12      ARG 275   2.064  23.722   1.036
  225   HH21  ARG 120          HH21      ARG 275   0.856  22.166  -1.871
  226   HH22  ARG 120          HH22      ARG 275   0.560  23.395  -0.682
  227    H    MET 121           H1       MET 276   8.037  15.738  -0.991
  228    H    GLY 122           H1       GLY 277   8.738  15.681  -3.032
  229    H    THR 123           H1       THR 278   9.424  14.989  -6.424
  230    HG1  THR 123           HG1      THR 278   9.992  17.306  -6.525
  231    H    LYS 124           H1       LYS 279  13.575  15.279  -6.247
  232    HZ1  LYS 124           HZ1      LYS 279  17.948  16.453  -1.415
  233    HZ2  LYS 124           HZ2      LYS 279  18.534  16.750  -2.971
  234    HZ3  LYS 124           HZ3      LYS 279  18.804  15.250  -2.238
  235    H    HIS 125           H1       HIS 280  13.270  13.124  -5.067
  236    HD1  HIS 125           HD1      HIS 280  12.553  10.345  -0.759
  237    H    ALA 126           H1       ALA 281  11.420  12.006  -6.305
  238    H    LYS 127           H1       LYS 282  12.316  10.978  -8.638
  239    HZ1  LYS 127           HZ1      LYS 282  14.225  14.226 -14.900
  240    HZ2  LYS 127           HZ2      LYS 282  15.229  12.901 -14.581
  241    HZ3  LYS 127           HZ3      LYS 282  15.302  14.273 -13.600
  242    H    ARG 128           H1       ARG 283  13.788   9.038  -7.740
  243    HE   ARG 128           HE       ARG 283  18.039   6.807  -6.363
  244   HH11  ARG 128          HH11      ARG 283  19.131   8.992  -3.860
  245   HH12  ARG 128          HH12      ARG 283  20.519   8.037  -3.455
  246   HH21  ARG 128          HH21      ARG 283  19.866   5.548  -5.826
  247   HH22  ARG 128          HH22      ARG 283  20.953   6.104  -4.593
  248    H    VAL 129           H1       VAL 284  12.245   7.309  -6.489
  249    H    ARG 130           H1       ARG 285  11.188   6.315  -8.636
  250    HE   ARG 130           HE       ARG 285   7.145   5.838 -13.581
  251   HH11  ARG 130          HH11      ARG 285   8.942   8.616 -14.758
  252   HH12  ARG 130          HH12      ARG 285   7.935   8.833 -16.151
  253   HH21  ARG 130          HH21      ARG 285   5.809   6.143 -15.387
  254   HH22  ARG 130          HH22      ARG 285   6.127   7.442 -16.493
  255    H    ASN 131           H1       ASN 286  12.259   4.000  -9.151
  256   HD21  ASN 131          HD21      ASN 286  14.651   4.620  -9.230
  257   HD22  ASN 131          HD22      ASN 286  15.562   5.083 -10.625
  258    H    GLY 132           H1       GLY 287  10.572   1.975  -8.634
  259    H    MET 133           H1       MET 288   9.209   1.809  -6.961
  260    H    ASP 134           H1       ASP 289   7.579   2.872  -8.927
  261    H    LYS 135           H1       LYS 290   6.814   0.546  -9.919
  262    HZ1  LYS 135           HZ1      LYS 290  12.559  -1.502 -12.164
  263    HZ2  LYS 135           HZ2      LYS 290  13.030  -0.578 -13.501
  264    HZ3  LYS 135           HZ3      LYS 290  12.217  -2.040 -13.732
  265    H    GLY 136           H1       GLY 291   4.256  -0.130  -9.909
  266    H    TRP 137           H1       TRP 292   3.558   0.131  -8.086
  267    HE1  TRP 137           HE1      TRP 292   0.917   1.536  -2.098
  268    H    THR 139           H1       THR 294   0.325   0.494 -10.897
  269    HG1  THR 139           HG1      THR 294   1.556  -1.530 -12.627
  270    H    ILE 140           H1       ILE 295  -0.792  -1.117  -9.190
  271    H    LEU 141           H1       LEU 296  -2.709   0.293  -7.991
  272    H    GLN 142           H1       GLN 297  -4.554   0.465  -9.852
  273   HE21  GLN 142          HE21      GLN 297  -6.705   3.118 -14.167
  274   HE22  GLN 142          HE22      GLN 297  -5.294   3.521 -15.077
  275    H    SER 143           H1       SER 298  -5.325  -1.845 -10.287
  276    HG   SER 143           HG       SER 298  -3.961  -3.242 -10.437
  277    H    PHE 144           H1       PHE 299  -6.500  -2.672  -8.247
  278    H    GLN 145           H1       GLN 300  -8.905  -1.506  -8.250
  279   HE21  GLN 145          HE21      GLN 300 -12.784   2.573  -8.329
  280   HE22  GLN 145          HE22      GLN 300 -12.396   3.700  -9.584
  281    H    ASP 146           H1       ASP 301 -10.584  -2.611 -10.341
  282    H    LYS 147           H1       LYS 302 -10.671  -5.056  -9.235
  283    HZ1  LYS 147           HZ1      LYS 302 -10.879 -10.667  -5.549
  284    HZ2  LYS 147           HZ2      LYS 302  -9.771 -11.442  -4.520
  285    HZ3  LYS 147           HZ3      LYS 302  -9.348 -11.111  -6.123
  286    H    ILE 148           H1       ILE 303 -11.858  -5.077  -6.670
  287    H    ASP 149           H1       ASP 304 -14.144  -4.026  -7.415
  288    H    GLU 150           H1       GLU 305 -15.174  -5.902  -8.826
  289    H    GLU 151           H1       GLU 306 -15.600  -7.940  -7.230
  290    H    GLY 152           H1       GLY 307 -19.082  -8.119  -6.813
  291    H    ALA 153           H1       ALA 308 -19.907  -6.004  -7.297
  292    H    LYS 154           H1       LYS 309 -19.778  -5.731  -9.318
  293    HZ1  LYS 154           HZ1      LYS 309 -14.578  -7.710 -13.979
  294    HZ2  LYS 154           HZ2      LYS 309 -14.349  -6.029 -14.030
  295    HZ3  LYS 154           HZ3      LYS 309 -14.454  -6.914 -15.471
  296    H    LYS 155           H1       LYS 310 -19.865  -8.460  -9.654
  297    HZ1  LYS 155           HZ1      LYS 310 -15.394 -13.785 -11.847
  298    HZ2  LYS 155           HZ2      LYS 310 -15.167 -12.109 -11.695
  299    HZ3  LYS 155           HZ3      LYS 310 -15.238 -12.821 -13.226
  300    HO3  DAG 622           HO3      DAG 622  21.505  -8.090   0.622
  301    HO3  DSR 630           HO3      DSR 630  17.455  -2.403  -3.164
  302    HO2  MRP 632           HO2      MRP 632   4.708  -0.592  -5.609
  303    HO4  MRP 632           HO4      MRP 632   3.639  -4.895  -4.875
  304    HN4  EMP 633           HN4      EMP 633  26.262 -12.104  -2.622
  305    HAA  EMP 633           HAA      EMP 633  26.011 -10.653  -3.313
  306    HO8  MTC 634           HO8      MTC 634  26.899  -1.546  -1.999
  307    H11  MTC 634           H11      MTC 634  27.748  -7.157  -5.118
  Start of MODEL    3
    1    H1   ASN   1           H1       ASN 311  -0.925  15.765  -8.841
    2    H2   ASN   1           H2       ASN 311   0.453  15.066  -9.534
    3    H3   ASN   1           H3       ASN 311   0.617  16.245  -8.335
    4   HD21  ASN   1          HD21      ASN 311  -0.765  10.740  -8.873
    5   HD22  ASN   1          HD22      ASN 311   0.045  10.862 -10.399
    6    H    TYR   2           H1       TYR 312   0.856  13.589  -5.379
    7    HH   TYR   2           HH       TYR 312   5.944  11.072 -11.359
    8    H    ASP   3           H1       ASP 313   3.755  14.708  -7.285
    9    H    PHE   5           H1       PHE 315   1.909  17.252  -5.189
   10    H    VAL   6           H1       VAL 316   0.243  15.608  -1.667
   11    H    ARG   7           H1       ARG 317  -2.437  12.940  -4.108
   12    HE   ARG   7           HE       ARG 317  -6.194  16.637  -1.736
   13   HH11  ARG   7          HH11      ARG 317  -8.109  18.347  -4.130
   14   HH12  ARG   7          HH12      ARG 317  -8.290  19.765  -3.145
   15   HH21  ARG   7          HH21      ARG 317  -6.417  18.477  -0.458
   16   HH22  ARG   7          HH22      ARG 317  -7.293  19.852  -1.060
   17    H    HIS   8           H1       HIS 318  -5.238  11.069  -2.760
   18    HD1  HIS   8           HD1      HIS 318  -4.257   8.527  -7.450
   19    H    SER   9           H1       SER 319  -7.805   8.971  -5.739
   20    HG   SER   9           HG       SER 319  -9.127  10.486  -5.641
   21    H    VAL  10           H1       VAL 320 -10.434   6.497  -3.364
   22    H    THR  11           H1       THR 321 -12.717   4.134  -6.344
   23    HG1  THR  11           HG1      THR 321 -14.071   6.197  -7.217
   24    H    VAL  12           H1       VAL 322 -15.161   3.018  -3.177
   25    H    LYS  13           H1       LYS 323 -16.832  -0.398  -5.390
   26    HZ1  LYS  13           HZ1      LYS 323 -18.020   0.789 -11.604
   27    HZ2  LYS  13           HZ2      LYS 323 -19.677   0.684 -11.278
   28    HZ3  LYS  13           HZ3      LYS 323 -18.632  -0.556 -10.773
   29    H    ALA  14           H1       ALA 324 -18.880  -0.875  -2.712
   30    H    ASP  15           H1       ASP 325 -18.274  -2.499  -0.437
   31    H    ARG  16           H1       ARG 326 -19.354  -0.639   3.309
   32    HE   ARG  16           HE       ARG 326 -16.378   4.276   5.763
   33   HH11  ARG  16          HH11      ARG 326 -17.272   2.945   8.860
   34   HH12  ARG  16          HH12      ARG 326 -16.670   4.302   9.758
   35   HH21  ARG  16          HH21      ARG 326 -15.593   6.053   6.912
   36   HH22  ARG  16          HH22      ARG 326 -15.739   6.099   8.649
   37    H    LYS  17           H1       LYS 327 -18.142  -2.435   4.828
   38    HZ1  LYS  17           HZ1      LYS 327 -18.967  -6.436  10.906
   39    HZ2  LYS  17           HZ2      LYS 327 -18.028  -7.829  11.115
   40    HZ3  LYS  17           HZ3      LYS 327 -19.104  -7.718   9.815
   41    H    THR  18           H1       THR 328 -17.082  -4.281   3.321
   42    HG1  THR  18           HG1      THR 328 -17.938  -4.796   1.930
   43    H    ALA  19           H1       ALA 329 -15.040  -2.995   2.128
   44    H    PHE  20           H1       PHE 330 -13.216  -2.554   4.018
   45    H    LYS  21           H1       LYS 331 -12.632  -4.979   4.593
   46    HZ1  LYS  21           HZ1      LYS 331 -12.839 -10.559   9.838
   47    HZ2  LYS  21           HZ2      LYS 331 -11.445 -10.220   8.942
   48    HZ3  LYS  21           HZ3      LYS 331 -12.615 -11.273   8.320
   49    H    THR  22           H1       THR 332 -11.372  -6.035   2.424
   50    HG1  THR  22           HG1      THR 332 -11.969  -5.625   0.614
   51    H    PHE  23           H1       PHE 333  -9.109  -4.817   2.527
   52    H    LEU  24           H1       LEU 334  -7.721  -5.317   4.505
   53    H    GLU  25           H1       GLU 335  -7.756  -7.516   5.033
   54    H    GLY  26           H1       GLY 336  -6.116  -8.941   3.275
   55    H    PHE  27           H1       PHE 337  -4.535 -10.468   2.669
   56    H    GLU  29           H1       GLU 339  -4.994 -12.217  -1.259
   57    H    TRP  30           H1       TRP 340  -4.640 -11.787  -3.259
   58    HE1  TRP  30           HE1      TRP 340  -6.927  -7.439  -1.241
   59    H    TRP  31           H1       TRP 341  -5.386  -9.918  -7.339
   60    HE1  TRP  31           HE1      TRP 341  -3.446 -16.341  -8.826
   61    H    ASN  33           H1       ASN 343  -0.562  -9.183  -8.796
   62   HD21  ASN  33          HD21      ASN 343   4.103  -6.983 -10.017
   63   HD22  ASN  33          HD22      ASN 343   5.088  -7.830 -11.156
   64    H    ASN  34           H1       ASN 344   0.676  -9.608  -7.683
   65   HD21  ASN  34          HD21      ASN 344   0.853 -10.789  -3.276
   66   HD22  ASN  34          HD22      ASN 344  -0.671 -10.001  -3.495
   67    H    PHE  35           H1       PHE 345   2.343 -13.263  -8.372
   68    H    ARG  36           H1       ARG 346   3.319 -14.683  -7.119
   69    HE   ARG  36           HE       ARG 346   6.471 -18.991  -7.759
   70   HH11  ARG  36          HH11      ARG 346   9.674 -18.645  -6.344
   71   HH12  ARG  36          HH12      ARG 346  10.249 -20.154  -6.980
   72   HH21  ARG  36          HH21      ARG 346   7.239 -20.989  -8.579
   73   HH22  ARG  36          HH22      ARG 346   8.863 -21.494  -8.234
   74    H    THR  37           H1       THR 347   2.618 -17.864  -4.327
   75    HG1  THR  37           HG1      THR 347   0.499 -18.080  -3.427
   76    H    THR  38           H1       THR 348   3.279 -16.387  -0.013
   77    HG1  THR  38           HG1      THR 348   5.406 -19.914  -0.319
   78    H    LYS  39           H1       LYS 349   6.576 -16.210  -1.643
   79    HZ1  LYS  39           HZ1      LYS 349  11.982 -15.030   1.113
   80    HZ2  LYS  39           HZ2      LYS 349  12.487 -16.610   0.762
   81    HZ3  LYS  39           HZ3      LYS 349  10.859 -16.181   0.570
   82    H    VAL  40           H1       VAL 350   5.404 -14.104  -1.985
   83    H    GLY  41           H1       GLY 351   3.424 -11.960  -0.161
   84    H    ALA  42           H1       ALA 352   2.438 -12.588   1.523
   85    H    LEU  44           H1       LEU 354   0.259 -13.855   5.659
   86    H    GLY  45           H1       GLY 355   1.352 -11.100   6.521
   87    H    VAL  46           H1       VAL 356  -1.155  -8.524   6.714
   88    H    ASP  47           H1       ASP 357   0.577  -5.840   9.826
   89    H    LYS  48           H1       LYS 358  -1.981  -7.616  13.009
   90    HZ1  LYS  48           HZ1      LYS 358  -7.890  -8.931  13.274
   91    HZ2  LYS  48           HZ2      LYS 358  -7.155 -10.440  13.075
   92    HZ3  LYS  48           HZ3      LYS 358  -7.743  -9.603  11.725
   93    H    LYS  49           H1       LYS 359  -0.847  -6.625  14.887
   94    HZ1  LYS  49           HZ1      LYS 359   1.644 -10.895  15.208
   95    HZ2  LYS  49           HZ2      LYS 359   3.059  -9.981  15.360
   96    HZ3  LYS  49           HZ3      LYS 359   1.597  -9.214  14.967
   97    H    GLY  50           H1       GLY 360   0.874  -5.184  15.865
   98    H    GLY  51           H1       GLY 361   0.819  -3.821  14.469
   99    H    ARG  52           H1       ARG 362   1.291  -3.558  11.705
  100    HE   ARG  52           HE       ARG 362   5.639  -6.840  12.661
  101   HH11  ARG  52          HH11      ARG 362   6.461  -4.493  15.123
  102   HH12  ARG  52          HH12      ARG 362   6.814  -5.695  16.324
  103   HH21  ARG  52          HH21      ARG 362   6.122  -8.421  14.247
  104   HH22  ARG  52          HH22      ARG 362   6.641  -7.918  15.824
  105    H    TRP  53           H1       TRP 363   4.297  -2.977   8.610
  106    HE1  TRP  53           HE1      TRP 363   0.780  -0.099   6.645
  107    H    TYR  54           H1       TYR 364   3.462  -7.088   7.100
  108    HH   TYR  54           HH       TYR 364  11.849  -8.121   9.962
  109    H    GLU  55           H1       GLU 365   6.410  -8.953   5.248
  110    H    ILE  56           H1       ILE 366   4.326 -12.967   5.466
  111    H    ASP  57           H1       ASP 367   8.100 -14.940   5.987
  112    H    GLU  58           H1       GLU 368   8.643 -18.691   3.544
  113    H    GLN  59           H1       GLN 369  10.996 -18.301   4.403
  114   HE21  GLN  59          HE21      GLN 369  13.379 -14.615   2.600
  115   HE22  GLN  59          HE22      GLN 369  14.980 -14.643   1.933
  116    H    GLY  60           H1       GLY 370  10.761 -17.358   6.603
  117    H    GLU  61           H1       GLU 371  12.163 -13.717   7.840
  118    H    GLU  62           H1       GLU 372   9.019 -11.676   5.476
  119    H    HIS  63           H1       HIS 373   9.501  -9.529   2.051
  120    HE2  HIS  63           HE2      HIS 373   5.823  -9.144  -0.249
  121    H    THR  64           H1       THR 374   9.252  -5.084   2.686
  122    HG1  THR  64           HG1      THR 374   6.742  -4.037   6.808
  123    H    PHE  65           H1       PHE 375   5.493  -3.403   3.967
  124    H    GLY  66           H1       GLY 376   5.854  -1.703   5.186
  125    H    LEU  67           H1       LEU 377   4.965   1.870   7.427
  126    H    ILE  68           H1       ILE 378   2.712   0.588  11.010
  127    H    ARG  69           H1       ARG 379   0.299   4.219  10.594
  128    HE   ARG  69           HE       ARG 379   3.273   9.152  11.098
  129   HH11  ARG  69          HH11      ARG 379   4.869   7.509  13.763
  130   HH12  ARG  69          HH12      ARG 379   6.212   8.605  13.805
  131   HH21  ARG  69          HH21      ARG 379   5.049  10.585  11.129
  132   HH22  ARG  69          HH22      ARG 379   6.314  10.363  12.306
  133    H    LYS  70           H1       LYS 380  -1.692   4.577  12.063
  134    HZ1  LYS  70           HZ1      LYS 380  -5.674   8.801  16.899
  135    HZ2  LYS  70           HZ2      LYS 380  -6.727   7.942  17.905
  136    HZ3  LYS  70           HZ3      LYS 380  -6.424   7.388  16.329
  137    H    VAL  71           H1       VAL 381  -4.357   2.851  14.892
  138    H    ASP  72           H1       ASP 382  -7.141   4.179  12.699
  139    H    GLU  73           H1       GLU 383  -9.498   1.891  14.048
  140    H    ASP  75           H1       ASP 385 -11.945   3.537  10.313
  141    H    THR  76           H1       THR 386 -10.757   5.453  10.524
  142    HG1  THR  76           HG1      THR 386 -11.296   8.056  10.177
  143    H    LEU  77           H1       LEU 387  -7.577   6.272   7.729
  144    H    VAL  78           H1       VAL 388  -3.955   5.019   9.753
  145    H    ILE  79           H1       ILE 389  -1.041   5.964   6.833
  146    H    GLY  80           H1       GLY 390   2.765   3.713   7.302
  147    H    TRP  81           H1       TRP 391   4.971   5.765   4.071
  148    HE1  TRP  81           HE1      TRP 391   3.814   0.666  -0.448
  149    H    ARG  82           H1       ARG 392   7.119   2.214   2.204
  150    HE   ARG  82           HE       ARG 392  12.658  -0.775   4.025
  151   HH11  ARG  82          HH11      ARG 392  11.369  -2.808   1.495
  152   HH12  ARG  82          HH12      ARG 392  12.565  -4.046   1.680
  153   HH21  ARG  82          HH21      ARG 392  14.233  -2.412   4.318
  154   HH22  ARG  82          HH22      ARG 392  14.208  -3.822   3.305
  155    H    LEU  83           H1       LEU 393  11.491   3.386   1.885
  156    H    ASN  84           H1       ASN 394  12.612   3.336  -2.507
  157   HD21  ASN  84          HD21      ASN 394  11.456  -1.097  -3.021
  158   HD22  ASN  84          HD22      ASN 394  12.372  -2.402  -3.688
  159    H    GLY  85           H1       GLY 395  15.310   0.204  -3.994
  160    H    PHE  86           H1       PHE 396  18.976   0.873  -5.671
  161    H    GLY  87           H1       GLY 397  21.988   0.664  -5.369
  162    H    ARG  88           H1       ARG 398  22.213   1.253  -1.309
  163    HE   ARG  88           HE       ARG 398  17.065   1.776  -1.618
  164   HH11  ARG  88          HH11      ARG 398  18.693   1.969   1.465
  165   HH12  ARG  88          HH12      ARG 398  17.999   0.495   2.073
  166   HH21  ARG  88          HH21      ARG 398  16.145  -0.179  -0.826
  167   HH22  ARG  88          HH22      ARG 398  16.533  -0.715   0.779
  168    H    ILE  89           H1       ILE 399  21.756   4.922   0.996
  169    H    ASP  90           H1       ASP 400  20.665   2.807   4.966
  170    H    ASP  92           H1       ASP 402  16.005   6.582   5.176
  171    H    ASN  93           H1       ASN 403  14.678   8.037   4.999
  172   HD21  ASN  93          HD21      ASN 403  14.251  12.287   3.891
  173   HD22  ASN  93          HD22      ASN 403  15.902  12.014   3.452
  174    H    SER  94           H1       SER 404  11.811   7.923   3.899
  175    HG   SER  94           HG       SER 404  11.306   6.442   7.048
  176    H    SER  95           H1       SER 405   7.454   7.270   4.089
  177    HG   SER  95           HG       SER 405   8.234  10.189   2.711
  178    H    GLU  96           H1       GLU 406   4.863  10.190   5.566
  179    H    PHE  97           H1       PHE 407   0.850   8.056   5.540
  180    H    THR  98           H1       THR 408  -2.291  10.967   4.591
  181    HG1  THR  98           HG1      THR 408  -3.081  12.621   5.247
  182    H    VAL  99           H1       VAL 409  -5.226   8.064   6.214
  183    H    THR 100           H1       THR 410  -8.667   8.690   3.582
  184    HG1  THR 100           HG1      THR 410  -9.579  10.991   3.782
  185    H    PHE 101           H1       PHE 411 -11.886   6.796   5.897
  186    H    VAL 102           H1       VAL 412 -14.005   7.730   2.722
  187    H    ALA 103           H1       ALA 413 -17.980   6.895   4.317
  188    H    ASP 104           H1       ASP 414 -20.445   5.837   0.707
  189    H    GLY 105           H1       GLY 415 -24.433   6.585   2.096
  190    H    GLN 106           H1       GLN 416 -23.424   4.385   2.620
  191   HE21  GLN 106          HE21      GLN 416 -25.032   0.359   5.983
  192   HE22  GLN 106          HE22      GLN 416 -26.308   0.489   7.142
  193    H    LYS 107           H1       LYS 417 -22.771   2.640   0.699
  194    HZ1  LYS 107           HZ1      LYS 417 -28.265   0.929  -2.938
  195    HZ2  LYS 107           HZ2      LYS 417 -28.935   2.036  -1.855
  196    HZ3  LYS 107           HZ3      LYS 417 -28.389   0.537  -1.297
  197    H    LYS 108           H1       LYS 418 -22.265   3.019  -1.305
  198    HZ1  LYS 108           HZ1      LYS 418 -23.929   5.723  -7.357
  199    HZ2  LYS 108           HZ2      LYS 418 -25.018   5.618  -6.067
  200    HZ3  LYS 108           HZ3      LYS 418 -25.183   4.582  -7.394
  201    H    THR 109           H1       THR 419 -18.088   2.574  -1.636
  202    HG1  THR 109           HG1      THR 419 -18.413   1.904   0.464
  203    H    ARG 110           H1       ARG 420 -16.596   6.362  -0.217
  204    HE   ARG 110           HE       ARG 420 -17.290   8.225  -5.817
  205   HH11  ARG 110          HH11      ARG 420 -18.890  10.407  -3.590
  206   HH12  ARG 110          HH12      ARG 420 -20.264  10.653  -4.622
  207   HH21  ARG 110          HH21      ARG 420 -19.085   8.551  -7.178
  208   HH22  ARG 110          HH22      ARG 420 -20.361   9.617  -6.670
  209    H    VAL 111           H1       VAL 421 -12.675   5.599  -1.483
  210    H    ASP 112           H1       ASP 422 -10.645   8.476   1.221
  211    H    VAL 113           H1       VAL 423  -7.037  10.052  -0.902
  212    H    GLU 114           H1       GLU 424  -4.896  11.488   2.513
  213    H    HIS 115           H1       HIS 425  -2.330  14.910   1.429
  214    HE2  HIS 115           HE2      HIS 425   1.491  13.306   7.522
  215    H    THR 116           H1       THR 426   0.566  16.391   4.170
  216    HG1  THR 116           HG1      THR 426  -0.874  17.909   1.619
  217    H    HIS 117           H1       HIS 427   3.541  16.787   2.589
  218    HD1  HIS 117           HD1      HIS 427   4.994  16.515   8.349
  219    H    PHE 118           H1       PHE 428   4.888  15.017   3.965
  220    H    ASP 119           H1       ASP 429   5.017  15.403   1.538
  221    H    ARG 120           H1       ARG 430   5.746  17.020   0.116
  222    HE   ARG 120           HE       ARG 430   2.862  20.770  -1.994
  223   HH11  ARG 120          HH11      ARG 430   3.961  22.934   0.534
  224   HH12  ARG 120          HH12      ARG 430   2.469  23.818   0.610
  225   HH21  ARG 120          HH21      ARG 430   0.907  21.947  -1.922
  226   HH22  ARG 120          HH22      ARG 430   0.715  23.239  -0.782
  227    H    MET 121           H1       MET 431   8.223  15.851  -0.871
  228    H    GLY 122           H1       GLY 432   8.896  15.479  -2.923
  229    H    THR 123           H1       THR 433   9.315  14.393  -6.324
  230    HG1  THR 123           HG1      THR 433   9.587  16.961  -7.240
  231    H    LYS 124           H1       LYS 434  13.457  15.171  -6.659
  232    HZ1  LYS 124           HZ1      LYS 434  17.567  15.223  -1.959
  233    HZ2  LYS 124           HZ2      LYS 434  17.982  15.995  -3.401
  234    HZ3  LYS 124           HZ3      LYS 434  17.733  14.328  -3.386
  235    H    HIS 125           H1       HIS 435  13.262  13.138  -5.214
  236    HD1  HIS 125           HD1      HIS 435  13.148  13.627  -1.477
  237    H    ALA 126           H1       ALA 436  11.271  11.817  -5.938
  238    H    LYS 127           H1       LYS 437  12.013  11.059  -8.264
  239    HZ1  LYS 127           HZ1      LYS 437  16.314  12.769 -14.043
  240    HZ2  LYS 127           HZ2      LYS 437  14.940  13.741 -14.191
  241    HZ3  LYS 127           HZ3      LYS 437  15.416  12.747 -15.478
  242    H    ARG 128           H1       ARG 438  13.566   8.981  -7.620
  243    HE   ARG 128           HE       ARG 438  16.307   9.664  -4.881
  244   HH11  ARG 128          HH11      ARG 438  19.435   8.356  -5.742
  245   HH12  ARG 128          HH12      ARG 438  20.029   8.372  -4.111
  246   HH21  ARG 128          HH21      ARG 438  17.097   9.697  -2.736
  247   HH22  ARG 128          HH22      ARG 438  18.701   9.125  -2.405
  248    H    VAL 129           H1       VAL 439  12.336   7.174  -6.456
  249    H    ARG 130           H1       ARG 440  10.969   6.355  -8.472
  250    HE   ARG 130           HE       ARG 440   6.487   6.680 -12.009
  251   HH11  ARG 130          HH11      ARG 440   8.670   9.164 -13.145
  252   HH12  ARG 130          HH12      ARG 440   8.486   8.745 -14.818
  253   HH21  ARG 130          HH21      ARG 440   6.253   6.106 -14.203
  254   HH22  ARG 130          HH22      ARG 440   7.106   7.001 -15.426
  255    H    ASN 131           H1       ASN 441  12.038   4.043  -9.263
  256   HD21  ASN 131          HD21      ASN 441  15.061   1.789 -12.305
  257   HD22  ASN 131          HD22      ASN 441  15.604   0.214 -11.840
  258    H    GLY 132           H1       GLY 442  10.992   1.824  -8.622
  259    H    MET 133           H1       MET 443   9.370   1.769  -7.600
  260    H    ASP 134           H1       ASP 444   7.798   2.547  -9.308
  261    H    LYS 135           H1       LYS 445   6.646   0.383 -10.263
  262    HZ1  LYS 135           HZ1      LYS 445  12.215  -1.003 -14.151
  263    HZ2  LYS 135           HZ2      LYS 445  11.656  -2.376 -13.338
  264    HZ3  LYS 135           HZ3      LYS 445  11.874  -0.928 -12.496
  265    H    GLY 136           H1       GLY 446   4.620  -0.331  -9.360
  266    H    TRP 137           H1       TRP 447   3.491   0.420  -7.860
  267    HE1  TRP 137           HE1      TRP 447  -0.190   4.010  -3.157
  268    H    THR 139           H1       THR 449   0.369   0.353 -10.786
  269    HG1  THR 139           HG1      THR 449   1.858  -1.836 -11.961
  270    H    ILE 140           H1       ILE 450  -0.794  -1.242  -9.001
  271    H    LEU 141           H1       LEU 451  -2.795   0.231  -8.011
  272    H    GLN 142           H1       GLN 452  -4.639   0.527 -10.086
  273   HE21  GLN 142          HE21      GLN 452  -6.764   1.986 -14.882
  274   HE22  GLN 142          HE22      GLN 452  -5.420   2.095 -15.966
  275    H    SER 143           H1       SER 453  -5.365  -2.019 -10.327
  276    HG   SER 143           HG       SER 453  -4.115  -3.555 -11.138
  277    H    PHE 144           H1       PHE 454  -6.564  -2.632  -8.028
  278    H    GLN 145           H1       GLN 455  -8.705  -1.142  -8.165
  279   HE21  GLN 145          HE21      GLN 455 -13.622   0.156  -8.513
  280   HE22  GLN 145          HE22      GLN 455 -14.133   1.375  -7.388
  281    H    ASP 146           H1       ASP 456 -10.232  -2.586  -9.900
  282    H    LYS 147           H1       LYS 457 -10.600  -4.754  -9.005
  283    HZ1  LYS 147           HZ1      LYS 457 -11.105 -10.652  -5.641
  284    HZ2  LYS 147           HZ2      LYS 457 -10.247 -11.370  -4.364
  285    HZ3  LYS 147           HZ3      LYS 457  -9.525 -11.221  -5.886
  286    H    ILE 148           H1       ILE 458 -12.066  -4.619  -6.616
  287    H    ASP 149           H1       ASP 459 -14.282  -3.919  -7.784
  288    H    GLU 150           H1       GLU 460 -15.047  -5.798  -9.185
  289    H    GLU 151           H1       GLU 461 -15.473  -7.912  -7.554
  290    H    GLY 152           H1       GLY 462 -18.950  -7.876  -7.115
  291    H    ALA 153           H1       ALA 463 -19.420  -5.746  -7.569
  292    H    LYS 154           H1       LYS 464 -19.666  -5.980  -9.791
  293    HZ1  LYS 154           HZ1      LYS 464 -15.033  -4.462 -13.258
  294    HZ2  LYS 154           HZ2      LYS 464 -15.656  -5.940 -12.719
  295    HZ3  LYS 154           HZ3      LYS 464 -16.263  -4.485 -12.084
  296    H    LYS 155           H1       LYS 465 -20.004  -8.736  -9.767
  297    HZ1  LYS 155           HZ1      LYS 465 -16.702 -11.797 -13.566
  298    HZ2  LYS 155           HZ2      LYS 465 -17.791 -12.649 -14.543
  299    HZ3  LYS 155           HZ3      LYS 465 -17.381 -13.246 -13.014
  300    HO3  DAG 623           HO3      DAG 623  21.221  -9.206   1.325
  301    HO3  DSR 635           HO3      DSR 635  17.308  -3.345  -2.336
  302    HO2  MRP 637           HO2      MRP 637   4.788  -1.768  -5.874
  303    HO4  MRP 637           HO4      MRP 637   3.843  -6.155  -5.629
  304    HN4  EMP 638           HN4      EMP 638  26.440 -12.738  -1.765
  305    HAA  EMP 638           HAA      EMP 638  26.193 -11.240  -2.349
  306    HO8  MTC 639           HO8      MTC 639  26.549  -2.265  -0.164
  307    H11  MTC 639           H11      MTC 639  27.940  -7.535  -3.660
  Start of MODEL    4
    1    H1   ASN   1           H1       ASN 466  -1.475  14.774  -7.662
    2    H2   ASN   1           H2       ASN 466  -0.150  15.768  -7.993
    3    H3   ASN   1           H3       ASN 466  -0.450  15.256  -6.405
    4   HD21  ASN   1          HD21      ASN 466   1.466  13.192 -11.365
    5   HD22  ASN   1          HD22      ASN 466   1.652  14.857 -11.802
    6    H    TYR   2           H1       TYR 467   1.635  12.535  -5.854
    7    HH   TYR   2           HH       TYR 467   4.157  12.007 -12.463
    8    H    ASP   3           H1       ASP 468   5.276  14.826  -6.837
    9    H    PHE   5           H1       PHE 470   1.564  17.032  -5.385
   10    H    VAL   6           H1       VAL 471  -0.036  15.626  -1.728
   11    H    ARG   7           H1       ARG 472  -2.547  13.665  -4.227
   12    HE   ARG   7           HE       ARG 472  -5.003  17.525  -0.333
   13   HH11  ARG   7          HH11      ARG 472  -6.615  19.229  -2.945
   14   HH12  ARG   7          HH12      ARG 472  -7.018  20.597  -1.962
   15   HH21  ARG   7          HH21      ARG 472  -5.551  19.293   0.953
   16   HH22  ARG   7          HH22      ARG 472  -6.395  20.646   0.262
   17    H    HIS   8           H1       HIS 473  -5.142  11.120  -2.653
   18    HD1  HIS   8           HD1      HIS 473  -3.633   7.903  -6.783
   19    H    SER   9           H1       SER 474  -7.706   9.207  -5.765
   20    HG   SER   9           HG       SER 474  -9.489  11.034  -3.361
   21    H    VAL  10           H1       VAL 475 -10.385   6.789  -3.483
   22    H    THR  11           H1       THR 476 -12.482   4.356  -6.526
   23    HG1  THR  11           HG1      THR 476 -14.639   6.384  -7.887
   24    H    VAL  12           H1       VAL 477 -15.160   3.079  -3.465
   25    H    LYS  13           H1       LYS 478 -16.518  -0.863  -5.144
   26    HZ1  LYS  13           HZ1      LYS 478 -17.380   0.627 -11.171
   27    HZ2  LYS  13           HZ2      LYS 478 -19.063   0.764 -11.069
   28    HZ3  LYS  13           HZ3      LYS 478 -18.308  -0.715 -10.724
   29    H    ALA  14           H1       ALA 479 -19.348  -1.046  -2.546
   30    H    ASP  15           H1       ASP 480 -18.334  -2.517  -0.150
   31    H    ARG  16           H1       ARG 481 -19.426  -1.112   3.806
   32    HE   ARG  16           HE       ARG 481 -15.789   2.617   7.911
   33   HH11  ARG  16          HH11      ARG 481 -18.556   1.404   9.662
   34   HH12  ARG  16          HH12      ARG 481 -17.964   1.919  11.209
   35   HH21  ARG  16          HH21      ARG 481 -15.018   3.315   9.928
   36   HH22  ARG  16          HH22      ARG 481 -15.941   3.003  11.370
   37    H    LYS  17           H1       LYS 482 -18.079  -2.883   4.920
   38    HZ1  LYS  17           HZ1      LYS 482 -21.671  -5.514  10.071
   39    HZ2  LYS  17           HZ2      LYS 482 -20.584  -6.730   9.645
   40    HZ3  LYS  17           HZ3      LYS 482 -21.703  -6.169   8.513
   41    H    THR  18           H1       THR 483 -16.989  -4.599   3.220
   42    HG1  THR  18           HG1      THR 483 -17.822  -4.648   1.524
   43    H    ALA  19           H1       ALA 484 -15.003  -3.011   1.921
   44    H    PHE  20           H1       PHE 485 -13.243  -2.457   3.957
   45    H    LYS  21           H1       LYS 486 -12.471  -4.887   4.540
   46    HZ1  LYS  21           HZ1      LYS 486 -11.168  -8.767   9.999
   47    HZ2  LYS  21           HZ2      LYS 486 -11.101 -10.041   8.892
   48    HZ3  LYS  21           HZ3      LYS 486 -12.299 -10.021  10.092
   49    H    THR  22           H1       THR 487 -11.185  -5.912   2.416
   50    HG1  THR  22           HG1      THR 487 -11.688  -5.347   0.602
   51    H    PHE  23           H1       PHE 488  -8.982  -4.483   2.568
   52    H    LEU  24           H1       LEU 489  -7.449  -5.858   4.041
   53    H    GLU  25           H1       GLU 490  -7.627  -7.687   5.298
   54    H    GLY  26           H1       GLY 491  -7.303  -8.493   3.414
   55    H    PHE  27           H1       PHE 492  -5.162 -11.605   2.004
   56    H    GLU  29           H1       GLU 494  -5.029 -12.489  -1.695
   57    H    TRP  30           H1       TRP 495  -4.348 -11.948  -3.470
   58    HE1  TRP  30           HE1      TRP 495  -5.158  -7.818  -1.255
   59    H    TRP  31           H1       TRP 496  -4.220 -10.073  -7.663
   60    HE1  TRP  31           HE1      TRP 496  -3.982 -16.661 -10.504
   61    H    ASN  33           H1       ASN 498  -0.779  -9.887  -9.786
   62   HD21  ASN  33          HD21      ASN 498   0.964  -5.253  -8.582
   63   HD22  ASN  33          HD22      ASN 498   2.283  -5.029  -7.493
   64    H    ASN  34           H1       ASN 499   0.063 -10.133  -7.336
   65   HD21  ASN  34          HD21      ASN 499   1.263 -12.227  -3.344
   66   HD22  ASN  34          HD22      ASN 499  -0.385 -11.713  -3.195
   67    H    PHE  35           H1       PHE 500   2.805 -13.326  -8.375
   68    H    ARG  36           H1       ARG 501   3.085 -14.672  -6.666
   69    HE   ARG  36           HE       ARG 501   6.919 -19.508  -7.258
   70   HH11  ARG  36          HH11      ARG 501   9.500 -17.193  -7.783
   71   HH12  ARG  36          HH12      ARG 501  10.224 -18.100  -9.068
   72   HH21  ARG  36          HH21      ARG 501   7.896 -20.718  -8.937
   73   HH22  ARG  36          HH22      ARG 501   9.313 -20.094  -9.727
   74    H    THR  37           H1       THR 502   2.397 -17.808  -4.305
   75    HG1  THR  37           HG1      THR 502   1.822 -19.752  -2.145
   76    H    THR  38           H1       THR 503   3.290 -16.355  -0.026
   77    HG1  THR  38           HG1      THR 503   4.357 -19.484   1.365
   78    H    LYS  39           H1       LYS 504   6.168 -16.448  -1.883
   79    HZ1  LYS  39           HZ1      LYS 504  10.277 -14.662  -0.759
   80    HZ2  LYS  39           HZ2      LYS 504  11.850 -15.234  -0.522
   81    HZ3  LYS  39           HZ3      LYS 504  10.560 -15.922   0.342
   82    H    VAL  40           H1       VAL 505   5.334 -14.343  -2.231
   83    H    GLY  41           H1       GLY 506   3.633 -11.767  -0.232
   84    H    ALA  42           H1       ALA 507   2.418 -12.513   1.684
   85    H    LEU  44           H1       LEU 509  -0.455 -12.920   4.808
   86    H    GLY  45           H1       GLY 510   1.339 -10.887   6.150
   87    H    VAL  46           H1       VAL 511  -1.219  -8.149   6.457
   88    H    ASP  47           H1       ASP 512   0.443  -5.609   9.747
   89    H    LYS  48           H1       LYS 513  -2.491  -7.102  12.445
   90    HZ1  LYS  48           HZ1      LYS 513  -6.662  -8.987  12.639
   91    HZ2  LYS  48           HZ2      LYS 513  -6.422 -10.487  11.907
   92    HZ3  LYS  48           HZ3      LYS 513  -7.309  -9.294  11.102
   93    H    LYS  49           H1       LYS 514  -1.208  -6.140  14.603
   94    HZ1  LYS  49           HZ1      LYS 514   0.867  -9.627  14.174
   95    HZ2  LYS  49           HZ2      LYS 514   0.723 -11.212  13.578
   96    HZ3  LYS  49           HZ3      LYS 514   1.615 -10.918  14.980
   97    H    GLY  50           H1       GLY 515   0.497  -5.274  15.792
   98    H    GLY  51           H1       GLY 516   0.447  -3.713  14.507
   99    H    ARG  52           H1       ARG 517   1.323  -3.555  12.043
  100    HE   ARG  52           HE       ARG 517   3.872  -7.025  13.907
  101   HH11  ARG  52          HH11      ARG 517   7.346  -6.673  13.626
  102   HH12  ARG  52          HH12      ARG 517   7.680  -8.214  14.353
  103   HH21  ARG  52          HH21      ARG 517   4.318  -9.064  14.828
  104   HH22  ARG  52          HH22      ARG 517   5.963  -9.579  15.027
  105    H    TRP  53           H1       TRP 518   4.548  -3.358   9.096
  106    HE1  TRP  53           HE1      TRP 518   0.789  -0.163   7.458
  107    H    TYR  54           H1       TYR 519   3.448  -7.175   7.298
  108    HH   TYR  54           HH       TYR 519  11.925  -7.311   9.748
  109    H    GLU  55           H1       GLU 520   6.511  -9.179   5.431
  110    H    ILE  56           H1       ILE 521   4.565 -13.268   4.856
  111    H    ASP  57           H1       ASP 522   8.134 -15.454   6.096
  112    H    GLU  58           H1       GLU 523   9.375 -18.839   3.512
  113    H    GLN  59           H1       GLN 524  11.653 -18.201   4.675
  114   HE21  GLN  59          HE21      GLN 524  12.786 -16.519   2.504
  115   HE22  GLN  59          HE22      GLN 524  14.040 -15.992   1.421
  116    H    GLY  60           H1       GLY 525  10.971 -17.215   6.753
  117    H    GLU  61           H1       GLU 526  11.863 -13.510   7.940
  118    H    GLU  62           H1       GLU 527   8.828 -11.714   5.219
  119    H    HIS  63           H1       HIS 528   9.294  -9.591   1.915
  120    HE2  HIS  63           HE2      HIS 528   5.755  -9.235  -0.376
  121    H    THR  64           H1       THR 529   9.432  -5.129   2.930
  122    HG1  THR  64           HG1      THR 529   6.859  -4.168   7.005
  123    H    PHE  65           H1       PHE 530   5.497  -3.787   3.714
  124    H    GLY  66           H1       GLY 531   5.723  -1.853   5.271
  125    H    LEU  67           H1       LEU 532   5.068   1.686   7.530
  126    H    ILE  68           H1       ILE 533   2.835   0.519  11.162
  127    H    ARG  69           H1       ARG 534   0.243   4.166  10.891
  128    HE   ARG  69           HE       ARG 534   4.243   8.276  11.139
  129   HH11  ARG  69          HH11      ARG 534   5.261   5.913  13.534
  130   HH12  ARG  69          HH12      ARG 534   6.867   6.556  13.667
  131   HH21  ARG  69          HH21      ARG 534   6.355   9.087  11.265
  132   HH22  ARG  69          HH22      ARG 534   7.503   8.364  12.357
  133    H    LYS  70           H1       LYS 535  -1.567   4.650  12.200
  134    HZ1  LYS  70           HZ1      LYS 535  -6.633   9.159  16.024
  135    HZ2  LYS  70           HZ2      LYS 535  -7.009   8.918  17.651
  136    HZ3  LYS  70           HZ3      LYS 535  -7.774   7.986  16.460
  137    H    VAL  71           H1       VAL 536  -4.323   3.120  15.067
  138    H    ASP  72           H1       ASP 537  -6.960   4.339  13.039
  139    H    GLU  73           H1       GLU 538  -9.522   2.077  14.445
  140    H    ASP  75           H1       ASP 540 -11.453   3.598  10.269
  141    H    THR  76           H1       THR 541 -10.571   5.338  10.885
  142    HG1  THR  76           HG1      THR 541 -11.024   7.814  11.107
  143    H    LEU  77           H1       LEU 542  -7.639   6.270   8.092
  144    H    VAL  78           H1       VAL 543  -3.902   4.868   9.843
  145    H    ILE  79           H1       ILE 544  -1.079   5.884   6.937
  146    H    GLY  80           H1       GLY 545   2.761   3.635   7.264
  147    H    TRP  81           H1       TRP 546   4.544   5.647   3.921
  148    HE1  TRP  81           HE1      TRP 546   5.231   0.742  -1.186
  149    H    ARG  82           H1       ARG 547   7.223   2.397   2.138
  150    HE   ARG  82           HE       ARG 547  11.561   0.625   5.353
  151   HH11  ARG  82          HH11      ARG 547  10.266  -2.044   3.504
  152   HH12  ARG  82          HH12      ARG 547  11.764  -2.922   3.476
  153   HH21  ARG  82          HH21      ARG 547  13.544  -0.548   5.342
  154   HH22  ARG  82          HH22      ARG 547  13.617  -2.081   4.524
  155    H    LEU  83           H1       LEU 548  11.497   3.568   1.562
  156    H    ASN  84           H1       ASN 549  11.910   3.255  -2.910
  157   HD21  ASN  84          HD21      ASN 549  10.675  -0.567  -3.819
  158   HD22  ASN  84          HD22      ASN 549  11.451  -2.027  -4.323
  159    H    GLY  85           H1       GLY 550  14.872   0.381  -4.379
  160    H    PHE  86           H1       PHE 551  18.945   1.051  -5.324
  161    H    GLY  87           H1       GLY 552  21.808   0.363  -5.257
  162    H    ARG  88           H1       ARG 553  21.176   1.061  -1.867
  163    HE   ARG  88           HE       ARG 553  16.046   2.265  -1.054
  164   HH11  ARG  88          HH11      ARG 553  18.334   2.110   1.593
  165   HH12  ARG  88          HH12      ARG 553  17.495   0.833   2.418
  166   HH21  ARG  88          HH21      ARG 553  14.914   0.598   0.052
  167   HH22  ARG  88          HH22      ARG 553  15.543  -0.019   1.543
  168    H    ILE  89           H1       ILE 554  21.841   4.677   0.669
  169    H    ASP  90           H1       ASP 555  21.021   3.209   4.935
  170    H    ASP  92           H1       ASP 557  16.665   5.944   6.036
  171    H    ASN  93           H1       ASN 558  13.041   6.867   6.321
  172   HD21  ASN  93          HD21      ASN 558  11.151  10.827   5.660
  173   HD22  ASN  93          HD22      ASN 558  11.504  12.377   4.982
  174    H    SER  94           H1       SER 559  11.536   7.361   4.633
  175    HG   SER  94           HG       SER 559  10.059   5.852   7.758
  176    H    SER  95           H1       SER 560   7.083   7.018   4.209
  177    HG   SER  95           HG       SER 560   8.103   9.352   2.415
  178    H    GLU  96           H1       GLU 561   4.941  10.120   5.623
  179    H    PHE  97           H1       PHE 562   0.860   8.104   5.624
  180    H    THR  98           H1       THR 563  -2.339  11.007   4.671
  181    HG1  THR  98           HG1      THR 563  -3.157  12.870   5.511
  182    H    VAL  99           H1       VAL 564  -5.209   8.126   6.310
  183    H    THR 100           H1       THR 565  -8.681   8.825   3.630
  184    HG1  THR 100           HG1      THR 565  -9.140  11.582   4.692
  185    H    PHE 101           H1       PHE 566 -12.198   7.558   6.009
  186    H    VAL 102           H1       VAL 567 -14.544   7.495   2.528
  187    H    ALA 103           H1       ALA 568 -18.386   6.950   4.092
  188    H    ASP 104           H1       ASP 569 -20.765   5.702   0.449
  189    H    GLY 105           H1       GLY 570 -24.491   6.284   2.000
  190    H    GLN 106           H1       GLN 571 -23.415   4.142   2.371
  191   HE21  GLN 106          HE21      GLN 571 -25.160  -1.873   3.286
  192   HE22  GLN 106          HE22      GLN 571 -26.033  -2.253   4.733
  193    H    LYS 107           H1       LYS 572 -24.108   1.545   0.319
  194    HZ1  LYS 107           HZ1      LYS 572 -28.366   0.567  -3.989
  195    HZ2  LYS 107           HZ2      LYS 572 -28.916   2.144  -3.716
  196    HZ3  LYS 107           HZ3      LYS 572 -28.828   1.047  -2.433
  197    H    LYS 108           H1       LYS 573 -22.419   2.816  -1.172
  198    HZ1  LYS 108           HZ1      LYS 573 -24.970   5.598  -6.100
  199    HZ2  LYS 108           HZ2      LYS 573 -24.804   4.925  -7.640
  200    HZ3  LYS 108           HZ3      LYS 573 -23.834   6.235  -7.184
  201    H    THR 109           H1       THR 574 -18.219   2.400  -1.842
  202    HG1  THR 109           HG1      THR 574 -17.639   0.593   0.795
  203    H    ARG 110           H1       ARG 575 -16.611   5.930   0.105
  204    HE   ARG 110           HE       ARG 575 -16.512   8.784  -5.430
  205   HH11  ARG 110          HH11      ARG 575 -18.583  10.716  -3.356
  206   HH12  ARG 110          HH12      ARG 575 -19.393  11.495  -4.679
  207   HH21  ARG 110          HH21      ARG 575 -17.587   9.807  -7.179
  208   HH22  ARG 110          HH22      ARG 575 -18.826  10.976  -6.853
  209    H    VAL 111           H1       VAL 576 -12.575   5.992  -1.699
  210    H    ASP 112           H1       ASP 577 -10.550   8.522   1.152
  211    H    VAL 113           H1       VAL 578  -7.061  10.277  -0.981
  212    H    GLU 114           H1       GLU 579  -4.987  11.751   2.604
  213    H    HIS 115           H1       HIS 580  -2.619  15.163   1.540
  214    HE2  HIS 115           HE2      HIS 580   1.522  13.196   7.426
  215    H    THR 116           H1       THR 581   0.231  16.703   4.228
  216    HG1  THR 116           HG1      THR 581  -1.590  18.832   2.754
  217    H    HIS 117           H1       HIS 582   3.406  16.850   2.626
  218    HD1  HIS 117           HD1      HIS 582   4.965  18.997   7.735
  219    H    PHE 118           H1       PHE 583   4.613  15.056   3.772
  220    H    ASP 119           H1       ASP 584   4.704  15.525   1.468
  221    H    ARG 120           H1       ARG 585   5.500  17.339   0.184
  222    HE   ARG 120           HE       ARG 585   2.153  20.003  -2.311
  223   HH11  ARG 120          HH11      ARG 585   3.156  21.588   0.649
  224   HH12  ARG 120          HH12      ARG 585   1.929  22.813   0.567
  225   HH21  ARG 120          HH21      ARG 585   0.521  21.614  -2.423
  226   HH22  ARG 120          HH22      ARG 585   0.431  22.821  -1.178
  227    H    MET 121           H1       MET 586   8.110  16.390  -2.032
  228    H    GLY 122           H1       GLY 587   8.970  16.003  -3.648
  229    H    THR 123           H1       THR 588   9.766  14.952  -6.783
  230    HG1  THR 123           HG1      THR 588  10.650  17.039  -6.711
  231    H    LYS 124           H1       LYS 589  14.119  15.016  -6.809
  232    HZ1  LYS 124           HZ1      LYS 589  18.964  14.938  -1.767
  233    HZ2  LYS 124           HZ2      LYS 589  19.563  15.348  -3.295
  234    HZ3  LYS 124           HZ3      LYS 589  19.511  13.726  -2.818
  235    H    HIS 125           H1       HIS 590  13.586  13.010  -5.229
  236    HD1  HIS 125           HD1      HIS 590  12.885  13.913  -1.913
  237    H    ALA 126           H1       ALA 591  11.519  11.947  -6.111
  238    H    LYS 127           H1       LYS 592  12.039  11.052  -8.597
  239    HZ1  LYS 127           HZ1      LYS 592  14.334  12.924 -14.727
  240    HZ2  LYS 127           HZ2      LYS 592  14.588  14.319 -13.802
  241    HZ3  LYS 127           HZ3      LYS 592  13.352  14.281 -14.961
  242    H    ARG 128           H1       ARG 593  13.490   9.017  -7.697
  243    HE   ARG 128           HE       ARG 593  16.335   8.153  -4.207
  244   HH11  ARG 128          HH11      ARG 593  19.654   8.513  -5.221
  245   HH12  ARG 128          HH12      ARG 593  20.308   7.979  -3.705
  246   HH21  ARG 128          HH21      ARG 593  17.197   7.477  -2.197
  247   HH22  ARG 128          HH22      ARG 593  18.915   7.402  -1.990
  248    H    VAL 129           H1       VAL 594  12.230   7.346  -6.260
  249    H    ARG 130           H1       ARG 595  10.609   6.518  -8.048
  250    HE   ARG 130           HE       ARG 595   5.753   7.049 -10.647
  251   HH11  ARG 130          HH11      ARG 595   7.042  10.098 -11.787
  252   HH12  ARG 130          HH12      ARG 595   5.769  10.340 -12.937
  253   HH21  ARG 130          HH21      ARG 595   4.130   7.337 -12.154
  254   HH22  ARG 130          HH22      ARG 595   4.102   8.760 -13.156
  255    H    ASN 131           H1       ASN 596  11.743   4.303  -8.892
  256   HD21  ASN 131          HD21      ASN 596  14.761   3.644 -12.139
  257   HD22  ASN 131          HD22      ASN 596  15.606   2.188 -12.523
  258    H    GLY 132           H1       GLY 597  10.743   2.115  -8.419
  259    H    MET 133           H1       MET 598   9.292   1.738  -7.074
  260    H    ASP 134           H1       ASP 599   7.553   2.651  -8.931
  261    H    LYS 135           H1       LYS 600   6.819   0.373 -10.033
  262    HZ1  LYS 135           HZ1      LYS 600  12.221  -2.094 -11.937
  263    HZ2  LYS 135           HZ2      LYS 600  12.744  -1.500 -13.426
  264    HZ3  LYS 135           HZ3      LYS 600  11.863  -2.935 -13.361
  265    H    GLY 136           H1       GLY 601   4.639  -0.496  -9.343
  266    H    TRP 137           H1       TRP 602   3.508   0.154  -7.903
  267    HE1  TRP 137           HE1      TRP 602  -0.236   2.496  -2.673
  268    H    THR 139           H1       THR 604   0.359   0.171 -10.218
  269    HG1  THR 139           HG1      THR 604   0.987  -0.307 -12.377
  270    H    ILE 140           H1       ILE 605  -0.882  -1.488  -8.873
  271    H    LEU 141           H1       LEU 606  -2.621   0.142  -8.030
  272    H    GLN 142           H1       GLN 607  -4.666   0.467  -9.949
  273   HE21  GLN 142          HE21      GLN 607  -7.524   3.652 -13.199
  274   HE22  GLN 142          HE22      GLN 607  -6.845   3.864 -14.771
  275    H    SER 143           H1       SER 608  -5.492  -1.752 -10.515
  276    HG   SER 143           HG       SER 608  -4.282  -3.232 -11.533
  277    H    PHE 144           H1       PHE 609  -6.576  -2.582  -8.144
  278    H    GLN 145           H1       GLN 610  -8.924  -1.335  -8.073
  279   HE21  GLN 145          HE21      GLN 610 -10.167   2.513  -8.272
  280   HE22  GLN 145          HE22      GLN 610 -10.732   3.925  -9.091
  281    H    ASP 146           H1       ASP 611 -10.567  -2.468  -9.876
  282    H    LYS 147           H1       LYS 612 -10.768  -4.755  -8.856
  283    HZ1  LYS 147           HZ1      LYS 612 -10.342  -9.582  -3.070
  284    HZ2  LYS 147           HZ2      LYS 612 -11.210  -9.733  -4.530
  285    HZ3  LYS 147           HZ3      LYS 612 -11.815  -8.769  -3.288
  286    H    ILE 148           H1       ILE 613 -12.255  -4.742  -6.481
  287    H    ASP 149           H1       ASP 614 -14.446  -3.911  -7.589
  288    H    GLU 150           H1       GLU 615 -15.266  -6.066  -8.905
  289    H    GLU 151           H1       GLU 616 -15.885  -7.800  -7.110
  290    H    GLY 152           H1       GLY 617 -19.422  -8.419  -6.959
  291    H    ALA 153           H1       ALA 618 -19.919  -6.114  -7.418
  292    H    LYS 154           H1       LYS 619 -19.711  -6.088  -9.723
  293    HZ1  LYS 154           HZ1      LYS 619 -14.635  -7.299 -13.231
  294    HZ2  LYS 154           HZ2      LYS 619 -14.450  -5.613 -13.334
  295    HZ3  LYS 154           HZ3      LYS 619 -14.617  -6.532 -14.740
  296    H    LYS 155           H1       LYS 620 -20.087  -8.762  -9.600
  297    HZ1  LYS 155           HZ1      LYS 620 -15.392 -12.481 -12.847
  298    HZ2  LYS 155           HZ2      LYS 620 -15.743 -13.325 -14.278
  299    HZ3  LYS 155           HZ3      LYS 620 -15.960 -14.076 -12.778
  300    HO3  DAG 624           HO3      DAG 624  20.825  -9.536   1.428
  301    HO3  DSR 640           HO3      DSR 640  17.250  -3.466  -2.239
  302    HO2  MRP 642           HO2      MRP 642   4.828  -1.155  -5.717
  303    HO4  MRP 642           HO4      MRP 642   3.623  -5.475  -5.446
  304    HN4  EMP 643           HN4      EMP 643  25.805 -13.388  -1.674
  305    HAA  EMP 643           HAA      EMP 643  25.645 -11.881  -2.263
  306    HO8  MTC 644           HO8      MTC 644  26.552  -2.934  -0.121
  307    H11  MTC 644           H11      MTC 644  27.604  -8.293  -3.601