USER  MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=14
USER  MOD reduce.3.24.130724 removed 303 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: C  27 CYS SG  :   rot    4:sc=     1.7
USER  MOD Set 1.2: C  29 HIS     :     no HD1:sc= -0.0144  X(o=2.7,f=2.6)
USER  MOD Set 1.3: C  30 CYS SG  :   rot  139:sc=-0.00588
USER  MOD Set 1.4: C  53 CYS SG  :   rot  -53:sc=   0.937
USER  MOD Set 1.5: C  56 CYS SG  :   rot  143:sc=  0.0554
USER  MOD Set 2.1: C  15 CYS SG  :   rot -168:sc=    1.06
USER  MOD Set 2.2: C  18 CYS SG  :   rot  -68:sc=     1.2
USER  MOD Set 2.3: C  35 HIS     :     no HD1:sc=   0.139  K(o=1.8,f=-1.9!)
USER  MOD Set 2.4: C  38 CYS SG  :   rot  123:sc=  -0.645
USER  MOD Single : C  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : C  28 THR OG1 :   rot  -72:sc=   0.757
USER  MOD Single : C  39 HIS     :     no HD1:sc=  -0.412  K(o=-0.41,f=-1.7)
USER  MOD Single : C  44 THR OG1 :   rot -169:sc=  -0.406
USER  MOD Single : C  45 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  49 THR OG1 :   rot  180:sc=  0.0208
USER  MOD Single : C  55 SER OG  :   rot  180:sc=       0
USER  MOD Single : C  57 SER OG  :   rot  -39:sc=0.000431
USER  MOD -----------------------------------------------------------------
ATOM    167  N   ARG C  14       8.856  -0.083  -0.205  1.00  1.06           N
ATOM    168  CA  ARG C  14       8.994   1.271  -0.720  1.00  0.77           C
ATOM    169  C   ARG C  14       7.708   1.707  -1.413  1.00  0.65           C
ATOM    170  O   ARG C  14       7.104   0.933  -2.155  1.00  0.73           O
ATOM    171  CB  ARG C  14      10.171   1.359  -1.697  1.00  0.75           C
ATOM    172  CG  ARG C  14      10.368   2.743  -2.292  1.00  1.01           C
ATOM    173  CD  ARG C  14      11.613   2.800  -3.157  1.00  1.12           C
ATOM    174  NE  ARG C  14      12.836   2.673  -2.367  1.00  1.74           N
ATOM    175  CZ  ARG C  14      14.036   2.413  -2.884  1.00  2.20           C
ATOM    176  NH1 ARG C  14      14.171   2.207  -4.188  1.00  2.19           N
ATOM    177  NH2 ARG C  14      15.099   2.353  -2.094  1.00  3.18           N
ATOM      0  HA  ARG C  14       9.188   1.939   0.120  1.00  0.77           H   new
ATOM      0  HB2 ARG C  14      11.084   1.062  -1.180  1.00  0.75           H   new
ATOM      0  HB3 ARG C  14      10.015   0.644  -2.505  1.00  0.75           H   new
ATOM      0  HG2 ARG C  14       9.496   3.012  -2.888  1.00  1.01           H   new
ATOM      0  HG3 ARG C  14      10.446   3.478  -1.491  1.00  1.01           H   new
ATOM      0  HD2 ARG C  14      11.576   2.002  -3.898  1.00  1.12           H   new
ATOM      0  HD3 ARG C  14      11.631   3.743  -3.704  1.00  1.12           H   new
ATOM      0  HE  ARG C  14      12.766   2.791  -1.356  1.00  1.74           H   new
ATOM      0 HH11 ARG C  14      13.354   2.247  -4.798  1.00  2.19           H   new
ATOM      0 HH12 ARG C  14      15.091   2.008  -4.580  1.00  2.19           H   new
ATOM      0 HH21 ARG C  14      14.998   2.506  -1.091  1.00  3.18           H   new
ATOM      0 HH22 ARG C  14      16.018   2.154  -2.490  1.00  3.18           H   new
ATOM    191  N   CYS C  15       7.295   2.938  -1.156  1.00  0.53           N
ATOM    192  CA  CYS C  15       6.106   3.498  -1.778  1.00  0.46           C
ATOM    193  C   CYS C  15       6.450   4.017  -3.171  1.00  0.42           C
ATOM    194  O   CYS C  15       7.059   5.077  -3.317  1.00  0.40           O
ATOM    195  CB  CYS C  15       5.563   4.614  -0.880  1.00  0.46           C
ATOM    196  SG  CYS C  15       4.302   5.685  -1.606  1.00  0.48           S
ATOM      0  H   CYS C  15       7.771   3.573  -0.515  1.00  0.53           H   new
ATOM      0  HA  CYS C  15       5.336   2.734  -1.891  1.00  0.46           H   new
ATOM      0  HB2 CYS C  15       5.148   4.158   0.019  1.00  0.46           H   new
ATOM      0  HB3 CYS C  15       6.400   5.237  -0.564  1.00  0.46           H   new
ATOM      0  HG  CYS C  15       4.121   6.722  -0.843  1.00  0.48           H   new
ATOM    201  N   GLY C  16       6.039   3.268  -4.189  1.00  0.56           N
ATOM    202  CA  GLY C  16       6.409   3.585  -5.558  1.00  0.65           C
ATOM    203  C   GLY C  16       5.678   4.794  -6.104  1.00  0.54           C
ATOM    204  O   GLY C  16       6.030   5.315  -7.160  1.00  0.61           O
ATOM      0  H   GLY C  16       5.451   2.440  -4.089  1.00  0.56           H   new
ATOM      0  HA2 GLY C  16       7.483   3.765  -5.606  1.00  0.65           H   new
ATOM      0  HA3 GLY C  16       6.201   2.724  -6.193  1.00  0.65           H   new
ATOM    208  N   VAL C  17       4.666   5.247  -5.379  1.00  0.52           N
ATOM    209  CA  VAL C  17       3.885   6.403  -5.794  1.00  0.65           C
ATOM    210  C   VAL C  17       4.732   7.675  -5.738  1.00  0.66           C
ATOM    211  O   VAL C  17       4.499   8.626  -6.483  1.00  0.86           O
ATOM    212  CB  VAL C  17       2.634   6.581  -4.910  1.00  0.78           C
ATOM    213  CG1 VAL C  17       1.745   7.697  -5.443  1.00  1.04           C
ATOM    214  CG2 VAL C  17       1.854   5.279  -4.812  1.00  0.94           C
ATOM      0  H   VAL C  17       4.366   4.830  -4.498  1.00  0.52           H   new
ATOM      0  HA  VAL C  17       3.565   6.227  -6.821  1.00  0.65           H   new
ATOM      0  HB  VAL C  17       2.966   6.859  -3.910  1.00  0.78           H   new
ATOM      0 HG11 VAL C  17       0.870   7.802  -4.802  1.00  1.04           H   new
ATOM      0 HG12 VAL C  17       2.303   8.633  -5.452  1.00  1.04           H   new
ATOM      0 HG13 VAL C  17       1.425   7.455  -6.457  1.00  1.04           H   new
ATOM      0 HG21 VAL C  17       0.976   5.427  -4.184  1.00  0.94           H   new
ATOM      0 HG22 VAL C  17       1.539   4.968  -5.808  1.00  0.94           H   new
ATOM      0 HG23 VAL C  17       2.487   4.508  -4.374  1.00  0.94           H   new
ATOM    224  N   CYS C  18       5.720   7.680  -4.851  1.00  0.55           N
ATOM    225  CA  CYS C  18       6.615   8.823  -4.722  1.00  0.70           C
ATOM    226  C   CYS C  18       8.071   8.395  -4.888  1.00  0.68           C
ATOM    227  O   CYS C  18       8.890   9.137  -5.430  1.00  0.84           O
ATOM    228  CB  CYS C  18       6.418   9.501  -3.367  1.00  0.82           C
ATOM    229  SG  CYS C  18       6.774   8.433  -1.958  1.00  0.82           S
ATOM      0  H   CYS C  18       5.921   6.910  -4.214  1.00  0.55           H   new
ATOM      0  HA  CYS C  18       6.374   9.534  -5.512  1.00  0.70           H   new
ATOM      0  HB2 CYS C  18       7.060  10.381  -3.315  1.00  0.82           H   new
ATOM      0  HB3 CYS C  18       5.389   9.852  -3.294  1.00  0.82           H   new
ATOM      0  HG  CYS C  18       5.877   7.495  -1.887  1.00  0.82           H   new
ATOM    234  N   GLY C  19       8.390   7.194  -4.418  1.00  0.60           N
ATOM    235  CA  GLY C  19       9.744   6.692  -4.523  1.00  0.67           C
ATOM    236  C   GLY C  19      10.406   6.548  -3.168  1.00  0.68           C
ATOM    237  O   GLY C  19      11.508   6.014  -3.061  1.00  0.77           O
ATOM      0  H   GLY C  19       7.732   6.559  -3.966  1.00  0.60           H   new
ATOM      0  HA2 GLY C  19       9.733   5.725  -5.025  1.00  0.67           H   new
ATOM      0  HA3 GLY C  19      10.333   7.367  -5.144  1.00  0.67           H   new
ATOM    241  N   ASP C  20       9.731   7.022  -2.129  1.00  0.70           N
ATOM    242  CA  ASP C  20      10.264   6.959  -0.773  1.00  0.70           C
ATOM    243  C   ASP C  20       9.620   5.830   0.016  1.00  0.52           C
ATOM    244  O   ASP C  20       8.443   5.517  -0.170  1.00  0.44           O
ATOM    245  CB  ASP C  20      10.037   8.280  -0.030  1.00  0.80           C
ATOM    246  CG  ASP C  20      10.885   9.415  -0.562  1.00  1.30           C
ATOM    247  OD1 ASP C  20      12.027   9.588  -0.084  1.00  1.40           O
ATOM    248  OD2 ASP C  20      10.417  10.146  -1.456  1.00  2.10           O
ATOM      0  H   ASP C  20       8.810   7.456  -2.199  1.00  0.70           H   new
ATOM      0  HA  ASP C  20      11.335   6.773  -0.857  1.00  0.70           H   new
ATOM      0  HB2 ASP C  20       8.985   8.555  -0.104  1.00  0.80           H   new
ATOM      0  HB3 ASP C  20      10.255   8.137   1.028  1.00  0.80           H   new
ATOM    253  N   GLY C  21      10.398   5.215   0.892  1.00  0.55           N
ATOM    254  CA  GLY C  21       9.860   4.219   1.794  1.00  0.51           C
ATOM    255  C   GLY C  21       9.834   4.723   3.220  1.00  0.45           C
ATOM    256  O   GLY C  21       9.481   3.989   4.142  1.00  0.51           O
ATOM      0  H   GLY C  21      11.398   5.389   0.995  1.00  0.55           H   new
ATOM      0  HA2 GLY C  21       8.850   3.951   1.483  1.00  0.51           H   new
ATOM      0  HA3 GLY C  21      10.462   3.312   1.738  1.00  0.51           H   new
ATOM    260  N   THR C  22      10.218   5.981   3.392  1.00  0.44           N
ATOM    261  CA  THR C  22      10.237   6.618   4.699  1.00  0.46           C
ATOM    262  C   THR C  22       8.829   6.707   5.281  1.00  0.39           C
ATOM    263  O   THR C  22       7.939   7.304   4.668  1.00  0.41           O
ATOM    264  CB  THR C  22      10.835   8.034   4.602  1.00  0.60           C
ATOM    265  OG1 THR C  22      12.092   7.984   3.911  1.00  1.06           O
ATOM    266  CG2 THR C  22      11.034   8.640   5.985  1.00  0.90           C
ATOM      0  H   THR C  22      10.524   6.586   2.630  1.00  0.44           H   new
ATOM      0  HA  THR C  22      10.856   6.007   5.356  1.00  0.46           H   new
ATOM      0  HB  THR C  22      10.137   8.662   4.049  1.00  0.60           H   new
ATOM      0  HG1 THR C  22      12.468   8.887   3.850  1.00  1.06           H   new
ATOM      0 HG21 THR C  22      11.457   9.640   5.887  1.00  0.90           H   new
ATOM      0 HG22 THR C  22      10.074   8.701   6.497  1.00  0.90           H   new
ATOM      0 HG23 THR C  22      11.714   8.013   6.562  1.00  0.90           H   new
ATOM    274  N   ASP C  23       8.641   6.101   6.453  1.00  0.41           N
ATOM    275  CA  ASP C  23       7.343   6.084   7.129  1.00  0.45           C
ATOM    276  C   ASP C  23       6.288   5.476   6.208  1.00  0.38           C
ATOM    277  O   ASP C  23       5.237   6.062   5.951  1.00  0.42           O
ATOM    278  CB  ASP C  23       6.950   7.502   7.578  1.00  0.59           C
ATOM    279  CG  ASP C  23       5.656   7.544   8.376  1.00  1.39           C
ATOM    280  OD1 ASP C  23       5.498   6.725   9.307  1.00  1.75           O
ATOM    281  OD2 ASP C  23       4.776   8.370   8.055  1.00  2.23           O
ATOM      0  H   ASP C  23       9.379   5.611   6.958  1.00  0.41           H   new
ATOM      0  HA  ASP C  23       7.412   5.465   8.024  1.00  0.45           H   new
ATOM      0  HB2 ASP C  23       7.755   7.920   8.182  1.00  0.59           H   new
ATOM      0  HB3 ASP C  23       6.847   8.138   6.699  1.00  0.59           H   new
ATOM    286  N   VAL C  24       6.594   4.298   5.696  1.00  0.33           N
ATOM    287  CA  VAL C  24       5.726   3.639   4.740  1.00  0.31           C
ATOM    288  C   VAL C  24       4.712   2.751   5.459  1.00  0.32           C
ATOM    289  O   VAL C  24       5.000   2.193   6.520  1.00  0.39           O
ATOM    290  CB  VAL C  24       6.548   2.810   3.725  1.00  0.36           C
ATOM    291  CG1 VAL C  24       7.006   1.483   4.316  1.00  1.14           C
ATOM    292  CG2 VAL C  24       5.767   2.604   2.445  1.00  1.16           C
ATOM      0  H   VAL C  24       7.440   3.777   5.928  1.00  0.33           H   new
ATOM      0  HA  VAL C  24       5.185   4.408   4.190  1.00  0.31           H   new
ATOM      0  HB  VAL C  24       7.447   3.378   3.486  1.00  0.36           H   new
ATOM      0 HG11 VAL C  24       7.580   0.932   3.571  1.00  1.14           H   new
ATOM      0 HG12 VAL C  24       7.631   1.670   5.190  1.00  1.14           H   new
ATOM      0 HG13 VAL C  24       6.136   0.896   4.611  1.00  1.14           H   new
ATOM      0 HG21 VAL C  24       6.363   2.019   1.745  1.00  1.16           H   new
ATOM      0 HG22 VAL C  24       4.841   2.073   2.665  1.00  1.16           H   new
ATOM      0 HG23 VAL C  24       5.533   3.572   2.002  1.00  1.16           H   new
ATOM    302  N   LEU C  25       3.519   2.650   4.895  1.00  0.29           N
ATOM    303  CA  LEU C  25       2.471   1.822   5.465  1.00  0.30           C
ATOM    304  C   LEU C  25       2.375   0.501   4.716  1.00  0.30           C
ATOM    305  O   LEU C  25       2.868   0.375   3.594  1.00  0.34           O
ATOM    306  CB  LEU C  25       1.131   2.559   5.429  1.00  0.31           C
ATOM    307  CG  LEU C  25       1.056   3.811   6.307  1.00  0.37           C
ATOM    308  CD1 LEU C  25      -0.246   4.553   6.070  1.00  0.39           C
ATOM    309  CD2 LEU C  25       1.193   3.440   7.776  1.00  0.48           C
ATOM      0  H   LEU C  25       3.252   3.135   4.038  1.00  0.29           H   new
ATOM      0  HA  LEU C  25       2.720   1.612   6.505  1.00  0.30           H   new
ATOM      0  HB2 LEU C  25       0.918   2.843   4.399  1.00  0.31           H   new
ATOM      0  HB3 LEU C  25       0.346   1.869   5.739  1.00  0.31           H   new
ATOM      0  HG  LEU C  25       1.882   4.469   6.036  1.00  0.37           H   new
ATOM      0 HD11 LEU C  25      -0.280   5.440   6.703  1.00  0.39           H   new
ATOM      0 HD12 LEU C  25      -0.309   4.852   5.024  1.00  0.39           H   new
ATOM      0 HD13 LEU C  25      -1.085   3.901   6.313  1.00  0.39           H   new
ATOM      0 HD21 LEU C  25       1.137   4.342   8.386  1.00  0.48           H   new
ATOM      0 HD22 LEU C  25       0.387   2.762   8.057  1.00  0.48           H   new
ATOM      0 HD23 LEU C  25       2.153   2.950   7.940  1.00  0.48           H   new
ATOM    321  N   ARG C  26       1.740  -0.474   5.344  1.00  0.31           N
ATOM    322  CA  ARG C  26       1.651  -1.820   4.801  1.00  0.33           C
ATOM    323  C   ARG C  26       0.221  -2.326   4.945  1.00  0.29           C
ATOM    324  O   ARG C  26      -0.387  -2.155   6.001  1.00  0.35           O
ATOM    325  CB  ARG C  26       2.610  -2.731   5.580  1.00  0.42           C
ATOM    326  CG  ARG C  26       2.875  -4.081   4.936  1.00  0.98           C
ATOM    327  CD  ARG C  26       3.904  -3.977   3.822  1.00  0.95           C
ATOM    328  NE  ARG C  26       4.316  -5.294   3.341  1.00  1.64           N
ATOM    329  CZ  ARG C  26       5.451  -5.534   2.684  1.00  2.21           C
ATOM    330  NH1 ARG C  26       6.300  -4.547   2.423  1.00  2.24           N
ATOM    331  NH2 ARG C  26       5.744  -6.771   2.305  1.00  3.18           N
ATOM      0  H   ARG C  26       1.272  -0.356   6.243  1.00  0.31           H   new
ATOM      0  HA  ARG C  26       1.924  -1.820   3.746  1.00  0.33           H   new
ATOM      0  HB2 ARG C  26       3.560  -2.212   5.705  1.00  0.42           H   new
ATOM      0  HB3 ARG C  26       2.203  -2.894   6.578  1.00  0.42           H   new
ATOM      0  HG2 ARG C  26       3.226  -4.783   5.692  1.00  0.98           H   new
ATOM      0  HG3 ARG C  26       1.944  -4.483   4.536  1.00  0.98           H   new
ATOM      0  HD2 ARG C  26       3.488  -3.402   2.995  1.00  0.95           H   new
ATOM      0  HD3 ARG C  26       4.776  -3.432   4.182  1.00  0.95           H   new
ATOM      0  HE  ARG C  26       3.694  -6.082   3.520  1.00  1.64           H   new
ATOM      0 HH11 ARG C  26       6.086  -3.597   2.726  1.00  2.24           H   new
ATOM      0 HH12 ARG C  26       7.166  -4.739   1.920  1.00  2.24           H   new
ATOM      0 HH21 ARG C  26       5.102  -7.535   2.516  1.00  3.18           H   new
ATOM      0 HH22 ARG C  26       6.611  -6.958   1.802  1.00  3.18           H   new
ATOM    345  N   CYS C  27      -0.336  -2.930   3.896  1.00  0.29           N
ATOM    346  CA  CYS C  27      -1.689  -3.457   4.000  1.00  0.24           C
ATOM    347  C   CYS C  27      -1.720  -4.616   4.988  1.00  0.24           C
ATOM    348  O   CYS C  27      -0.794  -5.416   5.052  1.00  0.30           O
ATOM    349  CB  CYS C  27      -2.271  -3.914   2.648  1.00  0.29           C
ATOM    350  SG  CYS C  27      -4.046  -4.282   2.795  1.00  0.37           S
ATOM      0  H   CYS C  27       0.115  -3.063   2.991  1.00  0.29           H   new
ATOM      0  HA  CYS C  27      -2.315  -2.638   4.353  1.00  0.24           H   new
ATOM      0  HB2 CYS C  27      -2.118  -3.136   1.900  1.00  0.29           H   new
ATOM      0  HB3 CYS C  27      -1.740  -4.800   2.300  1.00  0.29           H   new
ATOM      0  HG  CYS C  27      -4.450  -3.997   3.997  1.00  0.37           H   new
ATOM    355  N   THR C  28      -2.782  -4.682   5.772  1.00  0.25           N
ATOM    356  CA  THR C  28      -2.957  -5.752   6.739  1.00  0.31           C
ATOM    357  C   THR C  28      -3.519  -7.004   6.076  1.00  0.33           C
ATOM    358  O   THR C  28      -3.475  -8.093   6.644  1.00  0.44           O
ATOM    359  CB  THR C  28      -3.892  -5.309   7.874  1.00  0.39           C
ATOM    360  OG1 THR C  28      -5.019  -4.613   7.322  1.00  0.75           O
ATOM    361  CG2 THR C  28      -3.162  -4.411   8.862  1.00  0.72           C
ATOM      0  H   THR C  28      -3.542  -4.002   5.757  1.00  0.25           H   new
ATOM      0  HA  THR C  28      -1.976  -5.985   7.153  1.00  0.31           H   new
ATOM      0  HB  THR C  28      -4.234  -6.195   8.409  1.00  0.39           H   new
ATOM      0  HG1 THR C  28      -4.735  -3.730   7.006  1.00  0.75           H   new
ATOM      0 HG21 THR C  28      -3.846  -4.111   9.656  1.00  0.72           H   new
ATOM      0 HG22 THR C  28      -2.321  -4.953   9.294  1.00  0.72           H   new
ATOM      0 HG23 THR C  28      -2.795  -3.524   8.345  1.00  0.72           H   new
ATOM    369  N   HIS C  29      -4.048  -6.841   4.870  1.00  0.31           N
ATOM    370  CA  HIS C  29      -4.614  -7.963   4.127  1.00  0.36           C
ATOM    371  C   HIS C  29      -3.762  -8.298   2.914  1.00  0.34           C
ATOM    372  O   HIS C  29      -3.975  -9.312   2.257  1.00  0.40           O
ATOM    373  CB  HIS C  29      -6.044  -7.653   3.674  1.00  0.41           C
ATOM    374  CG  HIS C  29      -7.033  -7.571   4.796  1.00  0.68           C
ATOM    375  ND1 HIS C  29      -8.264  -6.962   4.676  1.00  0.91           N
ATOM    376  CD2 HIS C  29      -6.969  -8.033   6.065  1.00  1.16           C
ATOM    377  CE1 HIS C  29      -8.908  -7.050   5.825  1.00  1.23           C
ATOM    378  NE2 HIS C  29      -8.144  -7.697   6.684  1.00  1.43           N
ATOM      0  H   HIS C  29      -4.098  -5.945   4.385  1.00  0.31           H   new
ATOM      0  HA  HIS C  29      -4.631  -8.823   4.797  1.00  0.36           H   new
ATOM      0  HB2 HIS C  29      -6.046  -6.707   3.132  1.00  0.41           H   new
ATOM      0  HB3 HIS C  29      -6.367  -8.423   2.973  1.00  0.41           H   new
ATOM      0  HD2 HIS C  29      -6.143  -8.569   6.509  1.00  1.16           H   new
ATOM      0  HE1 HIS C  29      -9.894  -6.658   6.028  1.00  1.23           H   new
ATOM      0  HE2 HIS C  29      -8.388  -7.912   7.651  1.00  1.43           H   new
ATOM    387  N   CYS C  30      -2.800  -7.438   2.620  1.00  0.29           N
ATOM    388  CA  CYS C  30      -1.944  -7.622   1.455  1.00  0.33           C
ATOM    389  C   CYS C  30      -0.516  -7.247   1.788  1.00  0.31           C
ATOM    390  O   CYS C  30      -0.230  -6.736   2.864  1.00  0.31           O
ATOM    391  CB  CYS C  30      -2.409  -6.742   0.300  1.00  0.42           C
ATOM    392  SG  CYS C  30      -4.177  -6.782   0.002  1.00  0.79           S
ATOM      0  H   CYS C  30      -2.591  -6.605   3.171  1.00  0.29           H   new
ATOM      0  HA  CYS C  30      -2.000  -8.671   1.166  1.00  0.33           H   new
ATOM      0  HB2 CYS C  30      -2.110  -5.713   0.500  1.00  0.42           H   new
ATOM      0  HB3 CYS C  30      -1.893  -7.053  -0.608  1.00  0.42           H   new
ATOM      0  HG  CYS C  30      -4.600  -5.581  -0.261  1.00  0.79           H   new
ATOM    397  N   ALA C  31       0.371  -7.492   0.851  1.00  0.34           N
ATOM    398  CA  ALA C  31       1.733  -7.033   0.967  1.00  0.37           C
ATOM    399  C   ALA C  31       1.934  -5.853   0.038  1.00  0.36           C
ATOM    400  O   ALA C  31       1.927  -6.006  -1.183  1.00  0.42           O
ATOM    401  CB  ALA C  31       2.709  -8.150   0.633  1.00  0.47           C
ATOM      0  H   ALA C  31       0.170  -8.010  -0.004  1.00  0.34           H   new
ATOM      0  HA  ALA C  31       1.924  -6.724   1.995  1.00  0.37           H   new
ATOM      0  HB1 ALA C  31       3.730  -7.781   0.727  1.00  0.47           H   new
ATOM      0  HB2 ALA C  31       2.559  -8.982   1.321  1.00  0.47           H   new
ATOM      0  HB3 ALA C  31       2.538  -8.489  -0.389  1.00  0.47           H   new
ATOM    407  N   ALA C  32       2.124  -4.684   0.620  1.00  0.32           N
ATOM    408  CA  ALA C  32       2.299  -3.465  -0.151  1.00  0.35           C
ATOM    409  C   ALA C  32       2.805  -2.351   0.743  1.00  0.33           C
ATOM    410  O   ALA C  32       2.212  -2.063   1.780  1.00  0.40           O
ATOM    411  CB  ALA C  32       0.993  -3.048  -0.819  1.00  0.37           C
ATOM      0  H   ALA C  32       2.161  -4.551   1.631  1.00  0.32           H   new
ATOM      0  HA  ALA C  32       3.034  -3.659  -0.932  1.00  0.35           H   new
ATOM      0  HB1 ALA C  32       1.152  -2.133  -1.390  1.00  0.37           H   new
ATOM      0  HB2 ALA C  32       0.658  -3.840  -1.489  1.00  0.37           H   new
ATOM      0  HB3 ALA C  32       0.234  -2.873  -0.056  1.00  0.37           H   new
ATOM    417  N   ALA C  33       3.914  -1.757   0.351  1.00  0.38           N
ATOM    418  CA  ALA C  33       4.461  -0.611   1.049  1.00  0.38           C
ATOM    419  C   ALA C  33       4.066   0.655   0.313  1.00  0.37           C
ATOM    420  O   ALA C  33       4.509   0.898  -0.807  1.00  0.42           O
ATOM    421  CB  ALA C  33       5.969  -0.735   1.154  1.00  0.45           C
ATOM      0  H   ALA C  33       4.460  -2.054  -0.458  1.00  0.38           H   new
ATOM      0  HA  ALA C  33       4.059  -0.568   2.061  1.00  0.38           H   new
ATOM      0  HB1 ALA C  33       6.370   0.131   1.680  1.00  0.45           H   new
ATOM      0  HB2 ALA C  33       6.222  -1.642   1.703  1.00  0.45           H   new
ATOM      0  HB3 ALA C  33       6.401  -0.784   0.154  1.00  0.45           H   new
ATOM    427  N   PHE C  34       3.223   1.453   0.938  1.00  0.34           N
ATOM    428  CA  PHE C  34       2.701   2.651   0.307  1.00  0.36           C
ATOM    429  C   PHE C  34       2.404   3.714   1.351  1.00  0.32           C
ATOM    430  O   PHE C  34       2.287   3.417   2.535  1.00  0.36           O
ATOM    431  CB  PHE C  34       1.425   2.316  -0.474  1.00  0.45           C
ATOM    432  CG  PHE C  34       0.306   1.790   0.387  1.00  0.47           C
ATOM    433  CD1 PHE C  34       0.269   0.457   0.764  1.00  0.53           C
ATOM    434  CD2 PHE C  34      -0.709   2.631   0.816  1.00  0.50           C
ATOM    435  CE1 PHE C  34      -0.755  -0.026   1.553  1.00  0.60           C
ATOM    436  CE2 PHE C  34      -1.735   2.152   1.605  1.00  0.56           C
ATOM    437  CZ  PHE C  34      -1.758   0.822   1.973  1.00  0.61           C
ATOM      0  H   PHE C  34       2.883   1.293   1.886  1.00  0.34           H   new
ATOM      0  HA  PHE C  34       3.452   3.038  -0.382  1.00  0.36           H   new
ATOM      0  HB2 PHE C  34       1.082   3.211  -0.993  1.00  0.45           H   new
ATOM      0  HB3 PHE C  34       1.662   1.576  -1.238  1.00  0.45           H   new
ATOM      0  HD1 PHE C  34       1.051  -0.212   0.436  1.00  0.53           H   new
ATOM      0  HD2 PHE C  34      -0.697   3.672   0.530  1.00  0.50           H   new
ATOM      0  HE1 PHE C  34      -0.771  -1.067   1.841  1.00  0.60           H   new
ATOM      0  HE2 PHE C  34      -2.519   2.817   1.934  1.00  0.56           H   new
ATOM      0  HZ  PHE C  34      -2.561   0.446   2.589  1.00  0.61           H   new
ATOM    447  N   HIS C  35       2.302   4.953   0.911  1.00  0.32           N
ATOM    448  CA  HIS C  35       1.865   6.026   1.785  1.00  0.32           C
ATOM    449  C   HIS C  35       0.389   6.290   1.555  1.00  0.33           C
ATOM    450  O   HIS C  35      -0.067   6.368   0.412  1.00  0.36           O
ATOM    451  CB  HIS C  35       2.652   7.315   1.532  1.00  0.33           C
ATOM    452  CG  HIS C  35       4.110   7.217   1.843  1.00  0.32           C
ATOM    453  ND1 HIS C  35       5.045   7.816   1.046  1.00  0.42           N
ATOM    454  CD2 HIS C  35       4.737   6.595   2.868  1.00  0.42           C
ATOM    455  CE1 HIS C  35       6.218   7.550   1.589  1.00  0.42           C
ATOM    456  NE2 HIS C  35       6.084   6.810   2.702  1.00  0.42           N
ATOM      0  H   HIS C  35       2.515   5.242  -0.044  1.00  0.32           H   new
ATOM      0  HA  HIS C  35       2.042   5.716   2.815  1.00  0.32           H   new
ATOM      0  HB2 HIS C  35       2.534   7.599   0.486  1.00  0.33           H   new
ATOM      0  HB3 HIS C  35       2.218   8.115   2.131  1.00  0.33           H   new
ATOM      0  HD2 HIS C  35       4.268   6.036   3.665  1.00  0.42           H   new
ATOM      0  HE1 HIS C  35       7.164   7.884   1.190  1.00  0.42           H   new
ATOM      0  HE2 HIS C  35       6.835   6.474   3.305  1.00  0.42           H   new
ATOM    464  N   TRP C  36      -0.344   6.422   2.647  1.00  0.33           N
ATOM    465  CA  TRP C  36      -1.767   6.719   2.597  1.00  0.34           C
ATOM    466  C   TRP C  36      -1.987   8.096   1.983  1.00  0.28           C
ATOM    467  O   TRP C  36      -2.976   8.336   1.295  1.00  0.37           O
ATOM    468  CB  TRP C  36      -2.352   6.652   4.011  1.00  0.47           C
ATOM    469  CG  TRP C  36      -3.840   6.787   4.069  1.00  0.47           C
ATOM    470  CD1 TRP C  36      -4.545   7.894   4.434  1.00  0.50           C
ATOM    471  CD2 TRP C  36      -4.806   5.776   3.763  1.00  0.50           C
ATOM    472  NE1 TRP C  36      -5.890   7.632   4.379  1.00  0.54           N
ATOM    473  CE2 TRP C  36      -6.077   6.341   3.963  1.00  0.54           C
ATOM    474  CE3 TRP C  36      -4.719   4.448   3.336  1.00  0.57           C
ATOM    475  CZ2 TRP C  36      -7.252   5.625   3.753  1.00  0.62           C
ATOM    476  CZ3 TRP C  36      -5.885   3.739   3.128  1.00  0.66           C
ATOM    477  CH2 TRP C  36      -7.137   4.328   3.334  1.00  0.68           C
ATOM      0  H   TRP C  36       0.028   6.327   3.592  1.00  0.33           H   new
ATOM      0  HA  TRP C  36      -2.275   5.982   1.974  1.00  0.34           H   new
ATOM      0  HB2 TRP C  36      -2.067   5.703   4.465  1.00  0.47           H   new
ATOM      0  HB3 TRP C  36      -1.904   7.441   4.615  1.00  0.47           H   new
ATOM      0  HD1 TRP C  36      -4.109   8.839   4.724  1.00  0.50           H   new
ATOM      0  HE1 TRP C  36      -6.632   8.293   4.611  1.00  0.54           H   new
ATOM      0  HE3 TRP C  36      -3.757   3.985   3.172  1.00  0.57           H   new
ATOM      0  HZ2 TRP C  36      -8.219   6.077   3.915  1.00  0.62           H   new
ATOM      0  HZ3 TRP C  36      -5.830   2.711   2.800  1.00  0.66           H   new
ATOM      0  HH2 TRP C  36      -8.030   3.747   3.159  1.00  0.68           H   new
ATOM    488  N   ARG C  37      -1.032   8.988   2.216  1.00  0.35           N
ATOM    489  CA  ARG C  37      -1.067  10.327   1.641  1.00  0.44           C
ATOM    490  C   ARG C  37      -0.772  10.285   0.143  1.00  0.41           C
ATOM    491  O   ARG C  37      -1.235  11.137  -0.614  1.00  0.51           O
ATOM    492  CB  ARG C  37      -0.062  11.231   2.353  1.00  0.61           C
ATOM    493  CG  ARG C  37      -0.418  11.503   3.804  1.00  0.70           C
ATOM    494  CD  ARG C  37       0.699  12.236   4.524  1.00  1.05           C
ATOM    495  NE  ARG C  37       0.318  12.614   5.884  1.00  1.72           N
ATOM    496  CZ  ARG C  37       1.188  12.835   6.867  1.00  2.32           C
ATOM    497  NH1 ARG C  37       2.490  12.689   6.654  1.00  2.37           N
ATOM    498  NH2 ARG C  37       0.751  13.205   8.065  1.00  3.33           N
ATOM      0  H   ARG C  37      -0.218   8.806   2.803  1.00  0.35           H   new
ATOM      0  HA  ARG C  37      -2.069  10.733   1.779  1.00  0.44           H   new
ATOM      0  HB2 ARG C  37       0.925  10.770   2.309  1.00  0.61           H   new
ATOM      0  HB3 ARG C  37       0.005  12.179   1.819  1.00  0.61           H   new
ATOM      0  HG2 ARG C  37      -1.332  12.095   3.850  1.00  0.70           H   new
ATOM      0  HG3 ARG C  37      -0.623  10.561   4.312  1.00  0.70           H   new
ATOM      0  HD2 ARG C  37       1.585  11.602   4.559  1.00  1.05           H   new
ATOM      0  HD3 ARG C  37       0.968  13.130   3.961  1.00  1.05           H   new
ATOM      0  HE  ARG C  37      -0.675  12.715   6.092  1.00  1.72           H   new
ATOM      0 HH11 ARG C  37       2.828  12.406   5.734  1.00  2.37           H   new
ATOM      0 HH12 ARG C  37       3.153  12.860   7.410  1.00  2.37           H   new
ATOM      0 HH21 ARG C  37      -0.249  13.319   8.230  1.00  3.33           H   new
ATOM      0 HH22 ARG C  37       1.415  13.375   8.820  1.00  3.33           H   new
ATOM    512  N   CYS C  38      -0.003   9.287  -0.284  1.00  0.37           N
ATOM    513  CA  CYS C  38       0.302   9.114  -1.699  1.00  0.36           C
ATOM    514  C   CYS C  38      -0.850   8.427  -2.423  1.00  0.36           C
ATOM    515  O   CYS C  38      -1.000   8.559  -3.635  1.00  0.42           O
ATOM    516  CB  CYS C  38       1.595   8.317  -1.888  1.00  0.34           C
ATOM    517  SG  CYS C  38       3.098   9.254  -1.522  1.00  0.54           S
ATOM      0  H   CYS C  38       0.419   8.589   0.328  1.00  0.37           H   new
ATOM      0  HA  CYS C  38       0.442  10.105  -2.131  1.00  0.36           H   new
ATOM      0  HB2 CYS C  38       1.563   7.436  -1.247  1.00  0.34           H   new
ATOM      0  HB3 CYS C  38       1.643   7.961  -2.917  1.00  0.34           H   new
ATOM      0  HG  CYS C  38       3.777   8.641  -0.598  1.00  0.54           H   new
ATOM    522  N   HIS C  39      -1.661   7.701  -1.672  1.00  0.35           N
ATOM    523  CA  HIS C  39      -2.813   7.013  -2.237  1.00  0.39           C
ATOM    524  C   HIS C  39      -4.034   7.918  -2.226  1.00  0.46           C
ATOM    525  O   HIS C  39      -4.765   8.005  -3.212  1.00  0.61           O
ATOM    526  CB  HIS C  39      -3.113   5.739  -1.448  1.00  0.43           C
ATOM    527  CG  HIS C  39      -2.440   4.518  -1.986  1.00  0.44           C
ATOM    528  ND1 HIS C  39      -3.100   3.328  -2.173  1.00  0.55           N
ATOM    529  CD2 HIS C  39      -1.157   4.300  -2.358  1.00  0.53           C
ATOM    530  CE1 HIS C  39      -2.255   2.425  -2.633  1.00  0.59           C
ATOM    531  NE2 HIS C  39      -1.068   2.989  -2.757  1.00  0.56           N
ATOM      0  H   HIS C  39      -1.544   7.572  -0.667  1.00  0.35           H   new
ATOM      0  HA  HIS C  39      -2.577   6.748  -3.268  1.00  0.39           H   new
ATOM      0  HB2 HIS C  39      -2.805   5.884  -0.412  1.00  0.43           H   new
ATOM      0  HB3 HIS C  39      -4.190   5.574  -1.440  1.00  0.43           H   new
ATOM      0  HD2 HIS C  39      -0.354   5.022  -2.344  1.00  0.53           H   new
ATOM      0  HE1 HIS C  39      -2.494   1.398  -2.868  1.00  0.59           H   new
ATOM      0  HE2 HIS C  39      -0.223   2.527  -3.094  1.00  0.56           H   new
ATOM    540  N   PHE C  40      -4.239   8.598  -1.112  1.00  0.41           N
ATOM    541  CA  PHE C  40      -5.393   9.462  -0.945  1.00  0.49           C
ATOM    542  C   PHE C  40      -4.955  10.890  -0.623  1.00  0.54           C
ATOM    543  O   PHE C  40      -4.998  11.319   0.532  1.00  0.72           O
ATOM    544  CB  PHE C  40      -6.290   8.916   0.167  1.00  0.51           C
ATOM    545  CG  PHE C  40      -6.864   7.562  -0.139  1.00  0.56           C
ATOM    546  CD1 PHE C  40      -8.070   7.440  -0.812  1.00  0.71           C
ATOM    547  CD2 PHE C  40      -6.203   6.412   0.253  1.00  0.55           C
ATOM    548  CE1 PHE C  40      -8.603   6.195  -1.088  1.00  0.80           C
ATOM    549  CE2 PHE C  40      -6.730   5.165  -0.021  1.00  0.66           C
ATOM    550  CZ  PHE C  40      -7.924   5.058  -0.715  1.00  0.77           C
ATOM      0  H   PHE C  40      -3.616   8.568  -0.305  1.00  0.41           H   new
ATOM      0  HA  PHE C  40      -5.955   9.482  -1.879  1.00  0.49           H   new
ATOM      0  HB2 PHE C  40      -5.715   8.858   1.091  1.00  0.51           H   new
ATOM      0  HB3 PHE C  40      -7.106   9.617   0.342  1.00  0.51           H   new
ATOM      0  HD1 PHE C  40      -8.599   8.328  -1.124  1.00  0.71           H   new
ATOM      0  HD2 PHE C  40      -5.263   6.490   0.780  1.00  0.55           H   new
ATOM      0  HE1 PHE C  40      -9.552   6.115  -1.596  1.00  0.80           H   new
ATOM      0  HE2 PHE C  40      -6.212   4.275   0.305  1.00  0.66           H   new
ATOM      0  HZ  PHE C  40      -8.321   4.085  -0.963  1.00  0.77           H   new
ATOM    560  N   PRO C  41      -4.531  11.650  -1.646  1.00  0.89           N
ATOM    561  CA  PRO C  41      -4.081  13.033  -1.480  1.00  1.04           C
ATOM    562  C   PRO C  41      -5.244  13.982  -1.210  1.00  1.30           C
ATOM    563  O   PRO C  41      -5.045  15.165  -0.936  1.00  1.93           O
ATOM    564  CB  PRO C  41      -3.415  13.372  -2.824  1.00  1.81           C
ATOM    565  CG  PRO C  41      -3.336  12.085  -3.576  1.00  2.12           C
ATOM    566  CD  PRO C  41      -4.447  11.228  -3.048  1.00  1.43           C
ATOM      0  HA  PRO C  41      -3.411  13.140  -0.627  1.00  1.04           H   new
ATOM      0  HB2 PRO C  41      -3.998  14.111  -3.374  1.00  1.81           H   new
ATOM      0  HB3 PRO C  41      -2.423  13.798  -2.672  1.00  1.81           H   new
ATOM      0  HG2 PRO C  41      -3.448  12.252  -4.647  1.00  2.12           H   new
ATOM      0  HG3 PRO C  41      -2.369  11.605  -3.427  1.00  2.12           H   new
ATOM      0  HD2 PRO C  41      -5.382  11.401  -3.581  1.00  1.43           H   new
ATOM      0  HD3 PRO C  41      -4.220  10.166  -3.140  1.00  1.43           H   new
ATOM    574  N   ALA C  42      -6.458  13.450  -1.277  1.00  1.64           N
ATOM    575  CA  ALA C  42      -7.662  14.243  -1.065  1.00  2.34           C
ATOM    576  C   ALA C  42      -7.878  14.551   0.413  1.00  1.92           C
ATOM    577  O   ALA C  42      -8.756  15.334   0.770  1.00  2.41           O
ATOM    578  CB  ALA C  42      -8.869  13.518  -1.635  1.00  3.30           C
ATOM      0  H   ALA C  42      -6.635  12.466  -1.478  1.00  1.64           H   new
ATOM      0  HA  ALA C  42      -7.535  15.193  -1.585  1.00  2.34           H   new
ATOM      0  HB1 ALA C  42      -9.764  14.118  -1.472  1.00  3.30           H   new
ATOM      0  HB2 ALA C  42      -8.727  13.361  -2.704  1.00  3.30           H   new
ATOM      0  HB3 ALA C  42      -8.983  12.554  -1.138  1.00  3.30           H   new
ATOM    584  N   GLY C  43      -7.078  13.932   1.267  1.00  1.37           N
ATOM    585  CA  GLY C  43      -7.185  14.184   2.690  1.00  1.46           C
ATOM    586  C   GLY C  43      -7.992  13.124   3.406  1.00  1.21           C
ATOM    587  O   GLY C  43      -8.563  13.378   4.469  1.00  1.41           O
ATOM      0  H   GLY C  43      -6.357  13.261   1.002  1.00  1.37           H   new
ATOM      0  HA2 GLY C  43      -6.186  14.231   3.124  1.00  1.46           H   new
ATOM      0  HA3 GLY C  43      -7.648  15.158   2.850  1.00  1.46           H   new
ATOM    591  N   THR C  44      -8.052  11.938   2.817  1.00  0.90           N
ATOM    592  CA  THR C  44      -8.754  10.816   3.416  1.00  0.76           C
ATOM    593  C   THR C  44      -8.067  10.380   4.711  1.00  0.65           C
ATOM    594  O   THR C  44      -6.837  10.371   4.801  1.00  0.73           O
ATOM    595  CB  THR C  44      -8.804   9.625   2.439  1.00  0.83           C
ATOM    596  OG1 THR C  44      -9.263  10.072   1.156  1.00  1.03           O
ATOM    597  CG2 THR C  44      -9.720   8.526   2.958  1.00  0.99           C
ATOM      0  H   THR C  44      -7.619  11.729   1.918  1.00  0.90           H   new
ATOM      0  HA  THR C  44      -9.771  11.138   3.641  1.00  0.76           H   new
ATOM      0  HB  THR C  44      -7.798   9.215   2.348  1.00  0.83           H   new
ATOM      0  HG1 THR C  44      -9.460   9.296   0.591  1.00  1.03           H   new
ATOM      0 HG21 THR C  44      -9.735   7.699   2.248  1.00  0.99           H   new
ATOM      0 HG22 THR C  44      -9.353   8.171   3.921  1.00  0.99           H   new
ATOM      0 HG23 THR C  44     -10.729   8.920   3.078  1.00  0.99           H   new
ATOM    605  N   SER C  45      -8.861  10.019   5.706  1.00  0.67           N
ATOM    606  CA  SER C  45      -8.332   9.585   6.986  1.00  0.69           C
ATOM    607  C   SER C  45      -8.095   8.078   6.971  1.00  0.61           C
ATOM    608  O   SER C  45      -8.956   7.309   6.541  1.00  0.66           O
ATOM    609  CB  SER C  45      -9.306   9.966   8.103  1.00  0.91           C
ATOM    610  OG  SER C  45      -9.617  11.351   8.048  1.00  1.60           O
ATOM      0  H   SER C  45      -9.879  10.019   5.650  1.00  0.67           H   new
ATOM      0  HA  SER C  45      -7.379  10.081   7.168  1.00  0.69           H   new
ATOM      0  HB2 SER C  45     -10.220   9.379   8.011  1.00  0.91           H   new
ATOM      0  HB3 SER C  45      -8.868   9.725   9.072  1.00  0.91           H   new
ATOM      0  HG  SER C  45     -10.242  11.575   8.769  1.00  1.60           H   new
ATOM    616  N   ARG C  46      -6.914   7.665   7.414  1.00  0.66           N
ATOM    617  CA  ARG C  46      -6.538   6.256   7.398  1.00  0.70           C
ATOM    618  C   ARG C  46      -7.308   5.467   8.456  1.00  0.82           C
ATOM    619  O   ARG C  46      -7.555   5.965   9.556  1.00  0.97           O
ATOM    620  CB  ARG C  46      -5.032   6.100   7.625  1.00  0.86           C
ATOM    621  CG  ARG C  46      -4.542   6.656   8.953  1.00  1.10           C
ATOM    622  CD  ARG C  46      -3.323   5.904   9.461  1.00  1.09           C
ATOM    623  NE  ARG C  46      -3.664   4.545   9.893  1.00  1.43           N
ATOM    624  CZ  ARG C  46      -2.794   3.693  10.438  1.00  1.76           C
ATOM    625  NH1 ARG C  46      -1.523   4.043  10.598  1.00  1.65           N
ATOM    626  NH2 ARG C  46      -3.201   2.489  10.826  1.00  2.68           N
ATOM      0  H   ARG C  46      -6.198   8.287   7.790  1.00  0.66           H   new
ATOM      0  HA  ARG C  46      -6.794   5.855   6.417  1.00  0.70           H   new
ATOM      0  HB2 ARG C  46      -4.775   5.042   7.570  1.00  0.86           H   new
ATOM      0  HB3 ARG C  46      -4.500   6.600   6.816  1.00  0.86           H   new
ATOM      0  HG2 ARG C  46      -4.296   7.712   8.837  1.00  1.10           H   new
ATOM      0  HG3 ARG C  46      -5.342   6.594   9.691  1.00  1.10           H   new
ATOM      0  HD2 ARG C  46      -2.570   5.857   8.674  1.00  1.09           H   new
ATOM      0  HD3 ARG C  46      -2.880   6.450  10.294  1.00  1.09           H   new
ATOM      0  HE  ARG C  46      -4.627   4.231   9.769  1.00  1.43           H   new
ATOM      0 HH11 ARG C  46      -1.208   4.967  10.304  1.00  1.65           H   new
ATOM      0 HH12 ARG C  46      -0.862   3.388  11.015  1.00  1.65           H   new
ATOM      0 HH21 ARG C  46      -4.177   2.218  10.707  1.00  2.68           H   new
ATOM      0 HH22 ARG C  46      -2.537   1.836  11.243  1.00  2.68           H   new
ATOM    640  N   PRO C  47      -7.703   4.227   8.125  1.00  0.82           N
ATOM    641  CA  PRO C  47      -8.442   3.360   9.045  1.00  1.01           C
ATOM    642  C   PRO C  47      -7.571   2.839  10.186  1.00  1.13           C
ATOM    643  O   PRO C  47      -6.358   2.656  10.030  1.00  1.14           O
ATOM    644  CB  PRO C  47      -8.903   2.205   8.153  1.00  1.02           C
ATOM    645  CG  PRO C  47      -7.900   2.150   7.057  1.00  0.83           C
ATOM    646  CD  PRO C  47      -7.459   3.570   6.825  1.00  0.70           C
ATOM      0  HA  PRO C  47      -9.258   3.891   9.534  1.00  1.01           H   new
ATOM      0  HB2 PRO C  47      -8.937   1.267   8.706  1.00  1.02           H   new
ATOM      0  HB3 PRO C  47      -9.906   2.381   7.764  1.00  1.02           H   new
ATOM      0  HG2 PRO C  47      -7.055   1.519   7.333  1.00  0.83           H   new
ATOM      0  HG3 PRO C  47      -8.334   1.724   6.152  1.00  0.83           H   new
ATOM      0  HD2 PRO C  47      -6.408   3.622   6.541  1.00  0.70           H   new
ATOM      0  HD3 PRO C  47      -8.029   4.041   6.024  1.00  0.70           H   new
ATOM    654  N   GLY C  48      -8.199   2.609  11.331  1.00  1.31           N
ATOM    655  CA  GLY C  48      -7.500   2.054  12.471  1.00  1.49           C
ATOM    656  C   GLY C  48      -7.839   0.594  12.677  1.00  1.61           C
ATOM    657  O   GLY C  48      -7.246  -0.083  13.515  1.00  1.90           O
ATOM      0  H   GLY C  48      -9.188   2.799  11.490  1.00  1.31           H   new
ATOM      0  HA2 GLY C  48      -6.425   2.161  12.327  1.00  1.49           H   new
ATOM      0  HA3 GLY C  48      -7.759   2.618  13.367  1.00  1.49           H   new
ATOM    661  N   THR C  49      -8.786   0.104  11.889  1.00  1.53           N
ATOM    662  CA  THR C  49      -9.199  -1.289  11.950  1.00  1.70           C
ATOM    663  C   THR C  49      -8.345  -2.131  11.009  1.00  1.25           C
ATOM    664  O   THR C  49      -8.850  -2.961  10.246  1.00  1.89           O
ATOM    665  CB  THR C  49     -10.685  -1.428  11.567  1.00  2.25           C
ATOM    666  OG1 THR C  49     -10.947  -0.682  10.370  1.00  2.72           O
ATOM    667  CG2 THR C  49     -11.585  -0.929  12.687  1.00  2.75           C
ATOM      0  H   THR C  49      -9.286   0.658  11.194  1.00  1.53           H   new
ATOM      0  HA  THR C  49      -9.064  -1.644  12.972  1.00  1.70           H   new
ATOM      0  HB  THR C  49     -10.899  -2.483  11.398  1.00  2.25           H   new
ATOM      0  HG1 THR C  49     -11.892  -0.774  10.128  1.00  2.72           H   new
ATOM      0 HG21 THR C  49     -12.628  -1.038  12.391  1.00  2.75           H   new
ATOM      0 HG22 THR C  49     -11.401  -1.512  13.589  1.00  2.75           H   new
ATOM      0 HG23 THR C  49     -11.372   0.122  12.884  1.00  2.75           H   new
ATOM    675  N   GLY C  50      -7.041  -1.909  11.082  1.00  0.82           N
ATOM    676  CA  GLY C  50      -6.126  -2.518  10.149  1.00  0.74           C
ATOM    677  C   GLY C  50      -5.917  -1.632   8.942  1.00  0.57           C
ATOM    678  O   GLY C  50      -6.879  -1.269   8.264  1.00  0.60           O
ATOM      0  H   GLY C  50      -6.600  -1.310  11.780  1.00  0.82           H   new
ATOM      0  HA2 GLY C  50      -5.170  -2.703  10.639  1.00  0.74           H   new
ATOM      0  HA3 GLY C  50      -6.514  -3.486   9.832  1.00  0.74           H   new
ATOM    682  N   LEU C  51      -4.673  -1.254   8.692  1.00  0.50           N
ATOM    683  CA  LEU C  51      -4.347  -0.410   7.554  1.00  0.41           C
ATOM    684  C   LEU C  51      -4.663  -1.155   6.263  1.00  0.32           C
ATOM    685  O   LEU C  51      -4.203  -2.278   6.043  1.00  0.33           O
ATOM    686  CB  LEU C  51      -2.870   0.015   7.611  1.00  0.50           C
ATOM    687  CG  LEU C  51      -2.482   1.247   6.777  1.00  0.57           C
ATOM    688  CD1 LEU C  51      -2.447   0.927   5.293  1.00  0.87           C
ATOM    689  CD2 LEU C  51      -3.443   2.398   7.038  1.00  0.86           C
ATOM      0  H   LEU C  51      -3.871  -1.519   9.264  1.00  0.50           H   new
ATOM      0  HA  LEU C  51      -4.951   0.497   7.585  1.00  0.41           H   new
ATOM      0  HB2 LEU C  51      -2.610   0.211   8.651  1.00  0.50           H   new
ATOM      0  HB3 LEU C  51      -2.259  -0.826   7.283  1.00  0.50           H   new
ATOM      0  HG  LEU C  51      -1.479   1.545   7.084  1.00  0.57           H   new
ATOM      0 HD11 LEU C  51      -2.169   1.821   4.734  1.00  0.87           H   new
ATOM      0 HD12 LEU C  51      -1.715   0.141   5.107  1.00  0.87           H   new
ATOM      0 HD13 LEU C  51      -3.432   0.589   4.970  1.00  0.87           H   new
ATOM      0 HD21 LEU C  51      -3.150   3.260   6.438  1.00  0.86           H   new
ATOM      0 HD22 LEU C  51      -4.455   2.095   6.769  1.00  0.86           H   new
ATOM      0 HD23 LEU C  51      -3.413   2.665   8.094  1.00  0.86           H   new
ATOM    701  N   ARG C  52      -5.468  -0.532   5.423  1.00  0.32           N
ATOM    702  CA  ARG C  52      -5.946  -1.167   4.209  1.00  0.33           C
ATOM    703  C   ARG C  52      -5.366  -0.475   2.986  1.00  0.32           C
ATOM    704  O   ARG C  52      -5.193   0.740   2.975  1.00  0.42           O
ATOM    705  CB  ARG C  52      -7.473  -1.113   4.174  1.00  0.48           C
ATOM    706  CG  ARG C  52      -8.122  -1.779   5.377  1.00  0.66           C
ATOM    707  CD  ARG C  52      -9.623  -1.568   5.394  1.00  0.79           C
ATOM    708  NE  ARG C  52     -10.234  -2.109   6.607  1.00  1.33           N
ATOM    709  CZ  ARG C  52     -11.548  -2.249   6.779  1.00  1.77           C
ATOM    710  NH1 ARG C  52     -12.388  -1.862   5.828  1.00  1.77           N
ATOM    711  NH2 ARG C  52     -12.023  -2.757   7.909  1.00  2.65           N
ATOM      0  H   ARG C  52      -5.807   0.420   5.561  1.00  0.32           H   new
ATOM      0  HA  ARG C  52      -5.623  -2.208   4.199  1.00  0.33           H   new
ATOM      0  HB2 ARG C  52      -7.793  -0.072   4.126  1.00  0.48           H   new
ATOM      0  HB3 ARG C  52      -7.827  -1.597   3.264  1.00  0.48           H   new
ATOM      0  HG2 ARG C  52      -7.905  -2.847   5.362  1.00  0.66           H   new
ATOM      0  HG3 ARG C  52      -7.688  -1.378   6.293  1.00  0.66           H   new
ATOM      0  HD2 ARG C  52      -9.841  -0.502   5.321  1.00  0.79           H   new
ATOM      0  HD3 ARG C  52     -10.067  -2.044   4.520  1.00  0.79           H   new
ATOM      0  HE  ARG C  52      -9.618  -2.396   7.367  1.00  1.33           H   new
ATOM      0 HH11 ARG C  52     -12.028  -1.457   4.964  1.00  1.77           H   new
ATOM      0 HH12 ARG C  52     -13.394  -1.970   5.961  1.00  1.77           H   new
ATOM      0 HH21 ARG C  52     -11.382  -3.042   8.649  1.00  2.65           H   new
ATOM      0 HH22 ARG C  52     -13.029  -2.863   8.037  1.00  2.65           H   new
ATOM    725  N   CYS C  53      -5.053  -1.261   1.968  1.00  0.33           N
ATOM    726  CA  CYS C  53      -4.554  -0.720   0.713  1.00  0.41           C
ATOM    727  C   CYS C  53      -5.714  -0.163  -0.107  1.00  0.45           C
ATOM    728  O   CYS C  53      -6.861  -0.216   0.337  1.00  0.47           O
ATOM    729  CB  CYS C  53      -3.819  -1.803  -0.079  1.00  0.47           C
ATOM    730  SG  CYS C  53      -4.893  -3.109  -0.711  1.00  0.49           S
ATOM      0  H   CYS C  53      -5.136  -2.277   1.986  1.00  0.33           H   new
ATOM      0  HA  CYS C  53      -3.852   0.085   0.930  1.00  0.41           H   new
ATOM      0  HB2 CYS C  53      -3.300  -1.337  -0.917  1.00  0.47           H   new
ATOM      0  HB3 CYS C  53      -3.057  -2.251   0.559  1.00  0.47           H   new
ATOM      0  HG  CYS C  53      -5.591  -3.608   0.266  1.00  0.49           H   new
ATOM    735  N   ARG C  54      -5.429   0.339  -1.304  1.00  0.58           N
ATOM    736  CA  ARG C  54      -6.467   0.931  -2.142  1.00  0.68           C
ATOM    737  C   ARG C  54      -7.538  -0.101  -2.478  1.00  0.64           C
ATOM    738  O   ARG C  54      -8.730   0.170  -2.355  1.00  0.68           O
ATOM    739  CB  ARG C  54      -5.865   1.504  -3.428  1.00  0.87           C
ATOM    740  CG  ARG C  54      -6.900   2.052  -4.399  1.00  1.28           C
ATOM    741  CD  ARG C  54      -6.249   2.616  -5.651  1.00  1.82           C
ATOM    742  NE  ARG C  54      -5.392   1.633  -6.309  1.00  2.43           N
ATOM    743  CZ  ARG C  54      -4.386   1.946  -7.124  1.00  3.20           C
ATOM    744  NH1 ARG C  54      -4.117   3.217  -7.398  1.00  3.47           N
ATOM    745  NH2 ARG C  54      -3.648   0.987  -7.665  1.00  4.09           N
ATOM      0  H   ARG C  54      -4.495   0.348  -1.714  1.00  0.58           H   new
ATOM      0  HA  ARG C  54      -6.929   1.745  -1.583  1.00  0.68           H   new
ATOM      0  HB2 ARG C  54      -5.167   2.300  -3.168  1.00  0.87           H   new
ATOM      0  HB3 ARG C  54      -5.289   0.725  -3.927  1.00  0.87           H   new
ATOM      0  HG2 ARG C  54      -7.596   1.260  -4.675  1.00  1.28           H   new
ATOM      0  HG3 ARG C  54      -7.483   2.832  -3.909  1.00  1.28           H   new
ATOM      0  HD2 ARG C  54      -7.022   2.946  -6.345  1.00  1.82           H   new
ATOM      0  HD3 ARG C  54      -5.659   3.495  -5.389  1.00  1.82           H   new
ATOM      0  HE  ARG C  54      -5.575   0.645  -6.133  1.00  2.43           H   new
ATOM      0 HH11 ARG C  54      -4.682   3.959  -6.984  1.00  3.47           H   new
ATOM      0 HH12 ARG C  54      -3.346   3.452  -8.023  1.00  3.47           H   new
ATOM      0 HH21 ARG C  54      -3.850   0.009  -7.457  1.00  4.09           H   new
ATOM      0 HH22 ARG C  54      -2.878   1.227  -8.289  1.00  4.09           H   new
ATOM    759  N   SER C  55      -7.100  -1.293  -2.859  1.00  0.62           N
ATOM    760  CA  SER C  55      -8.014  -2.359  -3.241  1.00  0.65           C
ATOM    761  C   SER C  55      -8.897  -2.768  -2.058  1.00  0.60           C
ATOM    762  O   SER C  55     -10.102  -2.975  -2.217  1.00  0.68           O
ATOM    763  CB  SER C  55      -7.227  -3.561  -3.775  1.00  0.72           C
ATOM    764  OG  SER C  55      -8.089  -4.608  -4.191  1.00  1.54           O
ATOM      0  H   SER C  55      -6.113  -1.546  -2.912  1.00  0.62           H   new
ATOM      0  HA  SER C  55      -8.666  -1.991  -4.033  1.00  0.65           H   new
ATOM      0  HB2 SER C  55      -6.606  -3.246  -4.613  1.00  0.72           H   new
ATOM      0  HB3 SER C  55      -6.554  -3.929  -3.000  1.00  0.72           H   new
ATOM      0  HG  SER C  55      -7.555  -5.358  -4.527  1.00  1.54           H   new
ATOM    770  N   CYS C  56      -8.302  -2.859  -0.871  1.00  0.52           N
ATOM    771  CA  CYS C  56      -9.052  -3.214   0.330  1.00  0.54           C
ATOM    772  C   CYS C  56      -9.999  -2.092   0.743  1.00  0.61           C
ATOM    773  O   CYS C  56     -11.084  -2.347   1.260  1.00  0.72           O
ATOM    774  CB  CYS C  56      -8.113  -3.556   1.485  1.00  0.50           C
ATOM    775  SG  CYS C  56      -7.295  -5.157   1.317  1.00  0.65           S
ATOM      0  H   CYS C  56      -7.308  -2.693  -0.716  1.00  0.52           H   new
ATOM      0  HA  CYS C  56      -9.646  -4.097   0.091  1.00  0.54           H   new
ATOM      0  HB2 CYS C  56      -7.354  -2.778   1.565  1.00  0.50           H   new
ATOM      0  HB3 CYS C  56      -8.680  -3.545   2.416  1.00  0.50           H   new
ATOM      0  HG  CYS C  56      -6.080  -5.073   1.771  1.00  0.65           H   new
ATOM    780  N   SER C  57      -9.592  -0.852   0.507  1.00  0.62           N
ATOM    781  CA  SER C  57     -10.429   0.290   0.838  1.00  0.74           C
ATOM    782  C   SER C  57     -11.537   0.441  -0.205  1.00  0.89           C
ATOM    783  O   SER C  57     -12.516   1.157   0.005  1.00  1.13           O
ATOM    784  CB  SER C  57      -9.583   1.567   0.922  1.00  0.78           C
ATOM    785  OG  SER C  57     -10.257   2.587   1.642  1.00  1.25           O
ATOM      0  H   SER C  57      -8.692  -0.613   0.090  1.00  0.62           H   new
ATOM      0  HA  SER C  57     -10.888   0.124   1.813  1.00  0.74           H   new
ATOM      0  HB2 SER C  57      -8.632   1.344   1.407  1.00  0.78           H   new
ATOM      0  HB3 SER C  57      -9.353   1.920  -0.083  1.00  0.78           H   new
ATOM      0  HG  SER C  57     -11.211   2.570   1.418  1.00  1.25           H   new
ATOM    791  N   GLY C  58     -11.375  -0.258  -1.322  1.00  0.86           N
ATOM    792  CA  GLY C  58     -12.388  -0.274  -2.352  1.00  1.06           C
ATOM    793  C   GLY C  58     -12.447   1.021  -3.128  1.00  1.50           C
ATOM    794  O   GLY C  58     -11.472   1.421  -3.767  1.00  2.19           O
ATOM      0  H   GLY C  58     -10.549  -0.819  -1.531  1.00  0.86           H   new
ATOM      0  HA2 GLY C  58     -12.189  -1.096  -3.039  1.00  1.06           H   new
ATOM      0  HA3 GLY C  58     -13.360  -0.466  -1.898  1.00  1.06           H   new