USER  MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15
USER  MOD reduce.3.24.130724 removed 475 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: A  34 THR OG1 :   rot   49:sc=   -8.83!
USER  MOD Set 1.2: A  53 SER OG  :   rot   45:sc=   -3.27!
USER  MOD Single : A   3 SER OG  :   rot  180:sc=       0
USER  MOD Single : A   4 GLN     :      amide:sc=-0.00159  X(o=-0.0016,f=0)
USER  MOD Single : A   6 HIS     :FLIP no HD1:sc=   -3.86! C(o=-4.7!,f=-3.9!)
USER  MOD Single : A  11 LYS NZ  :NH3+   -151:sc=  -0.119   (180deg=-0.738)
USER  MOD Single : A  13 ASN     :      amide:sc= 0.00676  X(o=0.0068,f=0)
USER  MOD Single : A  14 MET CE  :methyl -118:sc=  -0.243   (180deg=-1.03)
USER  MOD Single : A  15 THR OG1 :   rot  180:sc=  0.0815
USER  MOD Single : A  17 HIS     :FLIP no HD1:sc=   -3.82! C(o=-5.6!,f=-3.8!)
USER  MOD Single : A  19 LYS NZ  :NH3+   -177:sc=       0   (180deg=-0.00662)
USER  MOD Single : A  31 ASN     :      amide:sc= -0.0329  X(o=-0.033,f=0)
USER  MOD Single : A  36 CYS SG  :   rot   62:sc=   -6.33!
USER  MOD Single : A  40 SER OG  :   rot   72:sc=    1.02
USER  MOD Single : A  43 THR OG1 :   rot -159:sc=   -2.23!
USER  MOD Single : A  54 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  55 LYS NZ  :NH3+   -161:sc=       0   (180deg=-0.0929)
USER  MOD Single : A  60 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  61 MET CE  :methyl -154:sc=   -20.7!  (180deg=-24.4!)
USER  MOD Single : A  66 GLN     :      amide:sc=   -6.04! C(o=-6!,f=-5.8!)
USER  MOD Single : A  67 LYS NZ  :NH3+    144:sc=  -0.217   (180deg=-1.08)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   PRO A   1      -3.107   8.334   4.313  1.00  0.00           N
ATOM      2  CA  PRO A   1      -3.010   7.329   3.208  1.00  0.00           C
ATOM      3  C   PRO A   1      -3.583   5.988   3.675  1.00  0.00           C
ATOM      4  O   PRO A   1      -4.405   5.390   3.010  1.00  0.00           O
ATOM      5  CB  PRO A   1      -1.536   7.163   2.843  1.00  0.00           C
ATOM      6  CG  PRO A   1      -0.735   8.076   3.762  1.00  0.00           C
ATOM      7  CD  PRO A   1      -1.732   8.810   4.657  1.00  0.00           C
ATOM      0  H2  PRO A   1      -3.551   7.917   5.131  1.00  0.00           H   new
ATOM      0  H3  PRO A   1      -3.690   9.120   4.025  1.00  0.00           H   new
ATOM      0  HA  PRO A   1      -3.577   7.667   2.341  1.00  0.00           H   new
ATOM      0  HB2 PRO A   1      -1.224   6.126   2.966  1.00  0.00           H   new
ATOM      0  HB3 PRO A   1      -1.367   7.425   1.799  1.00  0.00           H   new
ATOM      0  HG2 PRO A   1      -0.034   7.497   4.363  1.00  0.00           H   new
ATOM      0  HG3 PRO A   1      -0.146   8.785   3.180  1.00  0.00           H   new
ATOM      0  HD2 PRO A   1      -1.514   8.616   5.707  1.00  0.00           H   new
ATOM      0  HD3 PRO A   1      -1.654   9.887   4.509  1.00  0.00           H   new
ATOM     17  N   ILE A   2      -3.157   5.513   4.814  1.00  0.00           N
ATOM     18  CA  ILE A   2      -3.681   4.213   5.322  1.00  0.00           C
ATOM     19  C   ILE A   2      -5.152   4.375   5.705  1.00  0.00           C
ATOM     20  O   ILE A   2      -6.020   3.706   5.177  1.00  0.00           O
ATOM     21  CB  ILE A   2      -2.878   3.782   6.551  1.00  0.00           C
ATOM     22  CG1 ILE A   2      -1.395   4.092   6.331  1.00  0.00           C
ATOM     23  CG2 ILE A   2      -3.054   2.279   6.773  1.00  0.00           C
ATOM     24  CD1 ILE A   2      -0.969   3.613   4.941  1.00  0.00           C
ATOM      0  H   ILE A   2      -2.469   5.968   5.414  1.00  0.00           H   new
ATOM      0  HA  ILE A   2      -3.587   3.454   4.545  1.00  0.00           H   new
ATOM      0  HB  ILE A   2      -3.236   4.326   7.425  1.00  0.00           H   new
ATOM      0 HG12 ILE A   2      -1.219   5.163   6.427  1.00  0.00           H   new
ATOM      0 HG13 ILE A   2      -0.793   3.601   7.096  1.00  0.00           H   new
ATOM      0 HG21 ILE A   2      -2.482   1.971   7.648  1.00  0.00           H   new
ATOM      0 HG22 ILE A   2      -4.109   2.056   6.932  1.00  0.00           H   new
ATOM      0 HG23 ILE A   2      -2.696   1.738   5.897  1.00  0.00           H   new
ATOM      0 HD11 ILE A   2       0.087   3.835   4.787  1.00  0.00           H   new
ATOM      0 HD12 ILE A   2      -1.129   2.538   4.862  1.00  0.00           H   new
ATOM      0 HD13 ILE A   2      -1.561   4.125   4.182  1.00  0.00           H   new
ATOM     36  N   SER A   3      -5.441   5.262   6.618  1.00  0.00           N
ATOM     37  CA  SER A   3      -6.855   5.467   7.030  1.00  0.00           C
ATOM     38  C   SER A   3      -7.709   5.731   5.790  1.00  0.00           C
ATOM     39  O   SER A   3      -8.858   5.343   5.721  1.00  0.00           O
ATOM     40  CB  SER A   3      -6.942   6.661   7.978  1.00  0.00           C
ATOM     41  OG  SER A   3      -8.279   7.144   8.007  1.00  0.00           O
ATOM      0  H   SER A   3      -4.759   5.852   7.095  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -7.221   4.576   7.540  1.00  0.00           H   new
ATOM      0  HB2 SER A   3      -6.628   6.368   8.980  1.00  0.00           H   new
ATOM      0  HB3 SER A   3      -6.266   7.450   7.650  1.00  0.00           H   new
ATOM      0  HG  SER A   3      -8.337   7.909   8.616  1.00  0.00           H   new
ATOM     47  N   GLN A   4      -7.152   6.380   4.802  1.00  0.00           N
ATOM     48  CA  GLN A   4      -7.932   6.655   3.564  1.00  0.00           C
ATOM     49  C   GLN A   4      -8.274   5.325   2.895  1.00  0.00           C
ATOM     50  O   GLN A   4      -9.413   5.057   2.562  1.00  0.00           O
ATOM     51  CB  GLN A   4      -7.098   7.513   2.608  1.00  0.00           C
ATOM     52  CG  GLN A   4      -7.323   8.993   2.920  1.00  0.00           C
ATOM     53  CD  GLN A   4      -7.153   9.815   1.640  1.00  0.00           C
ATOM     54  OE1 GLN A   4      -7.986  10.638   1.318  1.00  0.00           O
ATOM     55  NE2 GLN A   4      -6.102   9.623   0.892  1.00  0.00           N
ATOM      0  H   GLN A   4      -6.194   6.730   4.800  1.00  0.00           H   new
ATOM      0  HA  GLN A   4      -8.847   7.192   3.814  1.00  0.00           H   new
ATOM      0  HB2 GLN A   4      -6.041   7.266   2.709  1.00  0.00           H   new
ATOM      0  HB3 GLN A   4      -7.377   7.302   1.576  1.00  0.00           H   new
ATOM      0  HG2 GLN A   4      -8.322   9.142   3.331  1.00  0.00           H   new
ATOM      0  HG3 GLN A   4      -6.614   9.328   3.677  1.00  0.00           H   new
ATOM      0 HE21 GLN A   4      -5.403   8.932   1.163  1.00  0.00           H   new
ATOM      0 HE22 GLN A   4      -5.979  10.164   0.036  1.00  0.00           H   new
ATOM     64  N   VAL A   5      -7.298   4.478   2.712  1.00  0.00           N
ATOM     65  CA  VAL A   5      -7.581   3.161   2.085  1.00  0.00           C
ATOM     66  C   VAL A   5      -8.624   2.457   2.931  1.00  0.00           C
ATOM     67  O   VAL A   5      -9.723   2.228   2.501  1.00  0.00           O
ATOM     68  CB  VAL A   5      -6.307   2.309   2.051  1.00  0.00           C
ATOM     69  CG1 VAL A   5      -6.527   1.046   1.214  1.00  0.00           C
ATOM     70  CG2 VAL A   5      -5.153   3.123   1.464  1.00  0.00           C
ATOM      0  H   VAL A   5      -6.324   4.641   2.968  1.00  0.00           H   new
ATOM      0  HA  VAL A   5      -7.937   3.303   1.065  1.00  0.00           H   new
ATOM      0  HB  VAL A   5      -6.060   2.014   3.071  1.00  0.00           H   new
ATOM      0 HG11 VAL A   5      -5.612   0.454   1.201  1.00  0.00           H   new
ATOM      0 HG12 VAL A   5      -7.334   0.457   1.649  1.00  0.00           H   new
ATOM      0 HG13 VAL A   5      -6.792   1.327   0.195  1.00  0.00           H   new
ATOM      0 HG21 VAL A   5      -4.251   2.512   1.443  1.00  0.00           H   new
ATOM      0 HG22 VAL A   5      -5.405   3.433   0.450  1.00  0.00           H   new
ATOM      0 HG23 VAL A   5      -4.979   4.005   2.080  1.00  0.00           H   new
ATOM     80  N   HIS A   6      -8.292   2.125   4.142  1.00  0.00           N
ATOM     81  CA  HIS A   6      -9.274   1.446   5.018  1.00  0.00           C
ATOM     82  C   HIS A   6     -10.657   2.070   4.820  1.00  0.00           C
ATOM     83  O   HIS A   6     -11.663   1.386   4.797  1.00  0.00           O
ATOM     84  CB  HIS A   6      -8.834   1.634   6.466  1.00  0.00           C
ATOM     85  CG  HIS A   6      -7.582   0.839   6.711  1.00  0.00           C
ATOM     86  ND1 HIS A   6      -6.258   1.205   6.765  1.00  0.00           N   flip
ATOM     87  CD2 HIS A   6      -7.606  -0.529   6.928  1.00  0.00           C   flip
ATOM     88  CE1 HIS A   6      -5.473   0.082   7.011  1.00  0.00           C   flip
ATOM     89  NE2 HIS A   6      -6.335  -0.935   7.100  1.00  0.00           N   flip
ATOM      0  H   HIS A   6      -7.379   2.296   4.563  1.00  0.00           H   new
ATOM      0  HA  HIS A   6      -9.325   0.385   4.773  1.00  0.00           H   new
ATOM      0  HB2 HIS A   6      -8.654   2.690   6.669  1.00  0.00           H   new
ATOM      0  HB3 HIS A   6      -9.624   1.309   7.143  1.00  0.00           H   new
ATOM      0  HD2 HIS A   6      -8.485  -1.156   6.954  1.00  0.00           H   new
ATOM      0  HE1 HIS A   6      -4.398   0.042   7.109  1.00  0.00           H   new
ATOM      0  HE2 HIS A   6      -6.062  -1.902   7.277  1.00  0.00           H   new
ATOM     97  N   GLU A   7     -10.707   3.366   4.666  1.00  0.00           N
ATOM     98  CA  GLU A   7     -12.019   4.048   4.476  1.00  0.00           C
ATOM     99  C   GLU A   7     -12.701   3.561   3.194  1.00  0.00           C
ATOM    100  O   GLU A   7     -13.765   2.980   3.240  1.00  0.00           O
ATOM    101  CB  GLU A   7     -11.801   5.560   4.392  1.00  0.00           C
ATOM    102  CG  GLU A   7     -11.670   6.137   5.803  1.00  0.00           C
ATOM    103  CD  GLU A   7     -12.865   7.045   6.097  1.00  0.00           C
ATOM    104  OE1 GLU A   7     -13.972   6.662   5.756  1.00  0.00           O
ATOM    105  OE2 GLU A   7     -12.653   8.108   6.657  1.00  0.00           O
ATOM      0  H   GLU A   7      -9.894   3.982   4.664  1.00  0.00           H   new
ATOM      0  HA  GLU A   7     -12.660   3.812   5.325  1.00  0.00           H   new
ATOM      0  HB2 GLU A   7     -10.902   5.777   3.814  1.00  0.00           H   new
ATOM      0  HB3 GLU A   7     -12.636   6.030   3.872  1.00  0.00           H   new
ATOM      0  HG2 GLU A   7     -11.625   5.330   6.534  1.00  0.00           H   new
ATOM      0  HG3 GLU A   7     -10.741   6.701   5.892  1.00  0.00           H   new
ATOM    112  N   ILE A   8     -12.117   3.808   2.051  1.00  0.00           N
ATOM    113  CA  ILE A   8     -12.761   3.372   0.776  1.00  0.00           C
ATOM    114  C   ILE A   8     -12.769   1.845   0.674  1.00  0.00           C
ATOM    115  O   ILE A   8     -13.777   1.236   0.385  1.00  0.00           O
ATOM    116  CB  ILE A   8     -11.978   3.949  -0.407  1.00  0.00           C
ATOM    117  CG1 ILE A   8     -10.492   3.597  -0.273  1.00  0.00           C
ATOM    118  CG2 ILE A   8     -12.139   5.469  -0.434  1.00  0.00           C
ATOM    119  CD1 ILE A   8     -10.194   2.302  -1.036  1.00  0.00           C
ATOM      0  H   ILE A   8     -11.225   4.291   1.945  1.00  0.00           H   new
ATOM      0  HA  ILE A   8     -13.789   3.733   0.760  1.00  0.00           H   new
ATOM      0  HB  ILE A   8     -12.366   3.523  -1.332  1.00  0.00           H   new
ATOM      0 HG12 ILE A   8      -9.880   4.409  -0.664  1.00  0.00           H   new
ATOM      0 HG13 ILE A   8     -10.230   3.479   0.778  1.00  0.00           H   new
ATOM      0 HG21 ILE A   8     -11.582   5.879  -1.276  1.00  0.00           H   new
ATOM      0 HG22 ILE A   8     -13.194   5.721  -0.540  1.00  0.00           H   new
ATOM      0 HG23 ILE A   8     -11.756   5.892   0.495  1.00  0.00           H   new
ATOM      0 HD11 ILE A   8      -9.137   2.057  -0.937  1.00  0.00           H   new
ATOM      0 HD12 ILE A   8     -10.795   1.491  -0.625  1.00  0.00           H   new
ATOM      0 HD13 ILE A   8     -10.439   2.436  -2.090  1.00  0.00           H   new
ATOM    131  N   GLY A   9     -11.648   1.231   0.889  1.00  0.00           N
ATOM    132  CA  GLY A   9     -11.561  -0.244   0.789  1.00  0.00           C
ATOM    133  C   GLY A   9     -12.721  -0.881   1.547  1.00  0.00           C
ATOM    134  O   GLY A   9     -13.462  -1.677   1.008  1.00  0.00           O
ATOM      0  H   GLY A   9     -10.774   1.696   1.134  1.00  0.00           H   new
ATOM      0  HA2 GLY A   9     -11.587  -0.549  -0.257  1.00  0.00           H   new
ATOM      0  HA3 GLY A   9     -10.612  -0.590   1.199  1.00  0.00           H   new
ATOM    138  N   ILE A  10     -12.888  -0.546   2.794  1.00  0.00           N
ATOM    139  CA  ILE A  10     -14.007  -1.153   3.566  1.00  0.00           C
ATOM    140  C   ILE A  10     -15.345  -0.608   3.049  1.00  0.00           C
ATOM    141  O   ILE A  10     -16.345  -1.299   3.032  1.00  0.00           O
ATOM    142  CB  ILE A  10     -13.822  -0.823   5.060  1.00  0.00           C
ATOM    143  CG1 ILE A  10     -13.353  -2.083   5.770  1.00  0.00           C
ATOM    144  CG2 ILE A  10     -15.134  -0.338   5.698  1.00  0.00           C
ATOM    145  CD1 ILE A  10     -14.362  -3.202   5.509  1.00  0.00           C
ATOM      0  H   ILE A  10     -12.306   0.115   3.309  1.00  0.00           H   new
ATOM      0  HA  ILE A  10     -14.007  -2.236   3.440  1.00  0.00           H   new
ATOM      0  HB  ILE A  10     -13.089  -0.022   5.156  1.00  0.00           H   new
ATOM      0 HG12 ILE A  10     -12.366  -2.374   5.410  1.00  0.00           H   new
ATOM      0 HG13 ILE A  10     -13.261  -1.900   6.841  1.00  0.00           H   new
ATOM      0 HG21 ILE A  10     -14.966  -0.115   6.752  1.00  0.00           H   new
ATOM      0 HG22 ILE A  10     -15.476   0.562   5.187  1.00  0.00           H   new
ATOM      0 HG23 ILE A  10     -15.892  -1.117   5.609  1.00  0.00           H   new
ATOM      0 HD11 ILE A  10     -14.036  -4.111   6.014  1.00  0.00           H   new
ATOM      0 HD12 ILE A  10     -15.340  -2.907   5.890  1.00  0.00           H   new
ATOM      0 HD13 ILE A  10     -14.431  -3.387   4.437  1.00  0.00           H   new
ATOM    157  N   LYS A  11     -15.372   0.630   2.654  1.00  0.00           N
ATOM    158  CA  LYS A  11     -16.643   1.233   2.167  1.00  0.00           C
ATOM    159  C   LYS A  11     -16.955   0.744   0.752  1.00  0.00           C
ATOM    160  O   LYS A  11     -17.992   1.048   0.197  1.00  0.00           O
ATOM    161  CB  LYS A  11     -16.495   2.754   2.152  1.00  0.00           C
ATOM    162  CG  LYS A  11     -17.026   3.336   3.463  1.00  0.00           C
ATOM    163  CD  LYS A  11     -18.550   3.446   3.391  1.00  0.00           C
ATOM    164  CE  LYS A  11     -19.121   3.560   4.807  1.00  0.00           C
ATOM    165  NZ  LYS A  11     -18.901   2.279   5.535  1.00  0.00           N
ATOM      0  H   LYS A  11     -14.566   1.255   2.647  1.00  0.00           H   new
ATOM      0  HA  LYS A  11     -17.457   0.938   2.830  1.00  0.00           H   new
ATOM      0  HB2 LYS A  11     -15.448   3.026   2.020  1.00  0.00           H   new
ATOM      0  HB3 LYS A  11     -17.042   3.174   1.308  1.00  0.00           H   new
ATOM      0  HG2 LYS A  11     -16.736   2.700   4.300  1.00  0.00           H   new
ATOM      0  HG3 LYS A  11     -16.588   4.318   3.641  1.00  0.00           H   new
ATOM      0  HD2 LYS A  11     -18.835   4.317   2.801  1.00  0.00           H   new
ATOM      0  HD3 LYS A  11     -18.965   2.572   2.889  1.00  0.00           H   new
ATOM      0  HE2 LYS A  11     -18.640   4.381   5.340  1.00  0.00           H   new
ATOM      0  HE3 LYS A  11     -20.186   3.788   4.764  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  11     -19.653   2.148   6.242  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  11     -18.919   1.488   4.860  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  11     -17.978   2.305   6.013  1.00  0.00           H   new
ATOM    179  N   ARG A  12     -16.068   0.000   0.160  1.00  0.00           N
ATOM    180  CA  ARG A  12     -16.319  -0.493  -1.225  1.00  0.00           C
ATOM    181  C   ARG A  12     -16.054  -1.994  -1.290  1.00  0.00           C
ATOM    182  O   ARG A  12     -15.965  -2.571  -2.356  1.00  0.00           O
ATOM    183  CB  ARG A  12     -15.387   0.230  -2.199  1.00  0.00           C
ATOM    184  CG  ARG A  12     -16.171   0.648  -3.444  1.00  0.00           C
ATOM    185  CD  ARG A  12     -17.381   1.488  -3.027  1.00  0.00           C
ATOM    186  NE  ARG A  12     -17.758   2.418  -4.131  1.00  0.00           N
ATOM    187  CZ  ARG A  12     -16.833   2.988  -4.855  1.00  0.00           C
ATOM    188  NH1 ARG A  12     -16.262   4.086  -4.438  1.00  0.00           N
ATOM    189  NH2 ARG A  12     -16.479   2.463  -5.996  1.00  0.00           N
ATOM      0  H   ARG A  12     -15.181  -0.289   0.571  1.00  0.00           H   new
ATOM      0  HA  ARG A  12     -17.356  -0.296  -1.497  1.00  0.00           H   new
ATOM      0  HB2 ARG A  12     -14.952   1.107  -1.719  1.00  0.00           H   new
ATOM      0  HB3 ARG A  12     -14.560  -0.423  -2.479  1.00  0.00           H   new
ATOM      0  HG2 ARG A  12     -15.531   1.221  -4.115  1.00  0.00           H   new
ATOM      0  HG3 ARG A  12     -16.499  -0.234  -3.993  1.00  0.00           H   new
ATOM      0  HD2 ARG A  12     -18.221   0.837  -2.786  1.00  0.00           H   new
ATOM      0  HD3 ARG A  12     -17.148   2.055  -2.126  1.00  0.00           H   new
ATOM      0  HE  ARG A  12     -18.742   2.609  -4.321  1.00  0.00           H   new
ATOM      0 HH11 ARG A  12     -16.539   4.498  -3.547  1.00  0.00           H   new
ATOM      0 HH12 ARG A  12     -15.539   4.531  -5.003  1.00  0.00           H   new
ATOM      0 HH21 ARG A  12     -16.925   1.606  -6.323  1.00  0.00           H   new
ATOM      0 HH22 ARG A  12     -15.756   2.910  -6.560  1.00  0.00           H   new
ATOM    203  N   ASN A  13     -15.920  -2.628  -0.158  1.00  0.00           N
ATOM    204  CA  ASN A  13     -15.652  -4.093  -0.143  1.00  0.00           C
ATOM    205  C   ASN A  13     -14.170  -4.348  -0.424  1.00  0.00           C
ATOM    206  O   ASN A  13     -13.691  -5.457  -0.302  1.00  0.00           O
ATOM    207  CB  ASN A  13     -16.501  -4.785  -1.213  1.00  0.00           C
ATOM    208  CG  ASN A  13     -17.148  -6.039  -0.622  1.00  0.00           C
ATOM    209  OD1 ASN A  13     -18.343  -6.071  -0.397  1.00  0.00           O
ATOM    210  ND2 ASN A  13     -16.407  -7.080  -0.360  1.00  0.00           N
ATOM      0  H   ASN A  13     -15.985  -2.192   0.762  1.00  0.00           H   new
ATOM      0  HA  ASN A  13     -15.909  -4.494   0.837  1.00  0.00           H   new
ATOM      0  HB2 ASN A  13     -17.270  -4.104  -1.578  1.00  0.00           H   new
ATOM      0  HB3 ASN A  13     -15.880  -5.052  -2.068  1.00  0.00           H   new
ATOM      0 HD21 ASN A  13     -16.830  -7.921   0.034  1.00  0.00           H   new
ATOM      0 HD22 ASN A  13     -15.405  -7.053  -0.549  1.00  0.00           H   new
ATOM    217  N   MET A  14     -13.433  -3.333  -0.795  1.00  0.00           N
ATOM    218  CA  MET A  14     -11.990  -3.535  -1.074  1.00  0.00           C
ATOM    219  C   MET A  14     -11.230  -3.664   0.249  1.00  0.00           C
ATOM    220  O   MET A  14     -10.866  -2.686   0.866  1.00  0.00           O
ATOM    221  CB  MET A  14     -11.453  -2.338  -1.861  1.00  0.00           C
ATOM    222  CG  MET A  14     -11.352  -2.708  -3.340  1.00  0.00           C
ATOM    223  SD  MET A  14     -10.565  -1.355  -4.248  1.00  0.00           S
ATOM    224  CE  MET A  14     -10.046  -2.322  -5.686  1.00  0.00           C
ATOM      0  H   MET A  14     -13.771  -2.378  -0.915  1.00  0.00           H   new
ATOM      0  HA  MET A  14     -11.853  -4.444  -1.660  1.00  0.00           H   new
ATOM      0  HB2 MET A  14     -12.112  -1.479  -1.734  1.00  0.00           H   new
ATOM      0  HB3 MET A  14     -10.474  -2.047  -1.480  1.00  0.00           H   new
ATOM      0  HG2 MET A  14     -10.773  -3.624  -3.458  1.00  0.00           H   new
ATOM      0  HG3 MET A  14     -12.345  -2.903  -3.746  1.00  0.00           H   new
ATOM      0  HE1 MET A  14      -8.959  -2.305  -5.763  1.00  0.00           H   new
ATOM      0  HE2 MET A  14     -10.386  -3.352  -5.574  1.00  0.00           H   new
ATOM      0  HE3 MET A  14     -10.480  -1.893  -6.589  1.00  0.00           H   new
ATOM    234  N   THR A  15     -10.986  -4.867   0.691  1.00  0.00           N
ATOM    235  CA  THR A  15     -10.250  -5.045   1.974  1.00  0.00           C
ATOM    236  C   THR A  15      -8.985  -4.190   1.957  1.00  0.00           C
ATOM    237  O   THR A  15      -8.444  -3.886   0.917  1.00  0.00           O
ATOM    238  CB  THR A  15      -9.875  -6.521   2.169  1.00  0.00           C
ATOM    239  OG1 THR A  15     -10.367  -7.285   1.076  1.00  0.00           O
ATOM    240  CG2 THR A  15     -10.509  -7.018   3.467  1.00  0.00           C
ATOM      0  H   THR A  15     -11.263  -5.730   0.222  1.00  0.00           H   new
ATOM      0  HA  THR A  15     -10.890  -4.733   2.799  1.00  0.00           H   new
ATOM      0  HB  THR A  15      -8.791  -6.627   2.219  1.00  0.00           H   new
ATOM      0  HG1 THR A  15     -10.126  -8.227   1.200  1.00  0.00           H   new
ATOM      0 HG21 THR A  15     -10.252  -8.066   3.620  1.00  0.00           H   new
ATOM      0 HG22 THR A  15     -10.136  -6.427   4.304  1.00  0.00           H   new
ATOM      0 HG23 THR A  15     -11.592  -6.916   3.405  1.00  0.00           H   new
ATOM    248  N   VAL A  16      -8.511  -3.802   3.104  1.00  0.00           N
ATOM    249  CA  VAL A  16      -7.275  -2.972   3.161  1.00  0.00           C
ATOM    250  C   VAL A  16      -6.296  -3.642   4.115  1.00  0.00           C
ATOM    251  O   VAL A  16      -6.367  -3.458   5.315  1.00  0.00           O
ATOM    252  CB  VAL A  16      -7.614  -1.574   3.682  1.00  0.00           C
ATOM    253  CG1 VAL A  16      -6.336  -0.733   3.774  1.00  0.00           C
ATOM    254  CG2 VAL A  16      -8.599  -0.904   2.723  1.00  0.00           C
ATOM      0  H   VAL A  16      -8.926  -4.023   4.009  1.00  0.00           H   new
ATOM      0  HA  VAL A  16      -6.838  -2.883   2.166  1.00  0.00           H   new
ATOM      0  HB  VAL A  16      -8.063  -1.654   4.672  1.00  0.00           H   new
ATOM      0 HG11 VAL A  16      -6.581   0.262   4.145  1.00  0.00           H   new
ATOM      0 HG12 VAL A  16      -5.634  -1.212   4.456  1.00  0.00           H   new
ATOM      0 HG13 VAL A  16      -5.883  -0.650   2.786  1.00  0.00           H   new
ATOM      0 HG21 VAL A  16      -8.844   0.093   3.090  1.00  0.00           H   new
ATOM      0 HG22 VAL A  16      -8.148  -0.826   1.734  1.00  0.00           H   new
ATOM      0 HG23 VAL A  16      -9.509  -1.501   2.660  1.00  0.00           H   new
ATOM    264  N   HIS A  17      -5.386  -4.426   3.610  1.00  0.00           N
ATOM    265  CA  HIS A  17      -4.428  -5.099   4.544  1.00  0.00           C
ATOM    266  C   HIS A  17      -3.002  -4.625   4.277  1.00  0.00           C
ATOM    267  O   HIS A  17      -2.294  -5.162   3.448  1.00  0.00           O
ATOM    268  CB  HIS A  17      -4.511  -6.623   4.396  1.00  0.00           C
ATOM    269  CG  HIS A  17      -5.831  -7.102   4.945  1.00  0.00           C
ATOM    270  ND1 HIS A  17      -6.708  -8.080   4.533  1.00  0.00           N   flip
ATOM    271  CD2 HIS A  17      -6.398  -6.545   6.082  1.00  0.00           C   flip
ATOM    272  CE1 HIS A  17      -7.796  -8.128   5.399  1.00  0.00           C   flip
ATOM    273  NE2 HIS A  17      -7.559  -7.184   6.313  1.00  0.00           N   flip
ATOM      0  H   HIS A  17      -5.261  -4.630   2.618  1.00  0.00           H   new
ATOM      0  HA  HIS A  17      -4.702  -4.832   5.565  1.00  0.00           H   new
ATOM      0  HB2 HIS A  17      -4.416  -6.904   3.347  1.00  0.00           H   new
ATOM      0  HB3 HIS A  17      -3.688  -7.098   4.929  1.00  0.00           H   new
ATOM      0  HD2 HIS A  17      -5.982  -5.743   6.675  1.00  0.00           H   new
ATOM      0  HE1 HIS A  17      -8.649  -8.788   5.344  1.00  0.00           H   new
ATOM      0  HE2 HIS A  17      -8.183  -6.973   7.092  1.00  0.00           H   new
ATOM    281  N   PHE A  18      -2.582  -3.614   4.983  1.00  0.00           N
ATOM    282  CA  PHE A  18      -1.212  -3.075   4.797  1.00  0.00           C
ATOM    283  C   PHE A  18      -0.191  -3.946   5.532  1.00  0.00           C
ATOM    284  O   PHE A  18      -0.279  -4.159   6.725  1.00  0.00           O
ATOM    285  CB  PHE A  18      -1.166  -1.654   5.354  1.00  0.00           C
ATOM    286  CG  PHE A  18      -1.785  -0.728   4.345  1.00  0.00           C
ATOM    287  CD1 PHE A  18      -1.044  -0.329   3.234  1.00  0.00           C
ATOM    288  CD2 PHE A  18      -3.103  -0.283   4.508  1.00  0.00           C
ATOM    289  CE1 PHE A  18      -1.614   0.516   2.284  1.00  0.00           C
ATOM    290  CE2 PHE A  18      -3.674   0.566   3.557  1.00  0.00           C
ATOM    291  CZ  PHE A  18      -2.930   0.966   2.443  1.00  0.00           C
ATOM      0  H   PHE A  18      -3.139  -3.134   5.690  1.00  0.00           H   new
ATOM      0  HA  PHE A  18      -0.965  -3.073   3.735  1.00  0.00           H   new
ATOM      0  HB2 PHE A  18      -1.706  -1.600   6.299  1.00  0.00           H   new
ATOM      0  HB3 PHE A  18      -0.136  -1.360   5.557  1.00  0.00           H   new
ATOM      0  HD1 PHE A  18      -0.028  -0.675   3.110  1.00  0.00           H   new
ATOM      0  HD2 PHE A  18      -3.677  -0.596   5.368  1.00  0.00           H   new
ATOM      0  HE1 PHE A  18      -1.039   0.824   1.423  1.00  0.00           H   new
ATOM      0  HE2 PHE A  18      -4.689   0.913   3.682  1.00  0.00           H   new
ATOM      0  HZ  PHE A  18      -3.370   1.621   1.706  1.00  0.00           H   new
ATOM    301  N   LYS A  19       0.784  -4.436   4.821  1.00  0.00           N
ATOM    302  CA  LYS A  19       1.832  -5.280   5.446  1.00  0.00           C
ATOM    303  C   LYS A  19       3.127  -5.083   4.661  1.00  0.00           C
ATOM    304  O   LYS A  19       3.203  -5.393   3.488  1.00  0.00           O
ATOM    305  CB  LYS A  19       1.413  -6.752   5.389  1.00  0.00           C
ATOM    306  CG  LYS A  19       2.185  -7.544   6.446  1.00  0.00           C
ATOM    307  CD  LYS A  19       1.223  -8.469   7.195  1.00  0.00           C
ATOM    308  CE  LYS A  19       1.749  -8.716   8.610  1.00  0.00           C
ATOM    309  NZ  LYS A  19       2.968  -9.570   8.545  1.00  0.00           N
ATOM      0  H   LYS A  19       0.899  -4.284   3.819  1.00  0.00           H   new
ATOM      0  HA  LYS A  19       1.974  -4.998   6.489  1.00  0.00           H   new
ATOM      0  HB2 LYS A  19       0.341  -6.843   5.563  1.00  0.00           H   new
ATOM      0  HB3 LYS A  19       1.611  -7.159   4.398  1.00  0.00           H   new
ATOM      0  HG2 LYS A  19       2.974  -8.129   5.973  1.00  0.00           H   new
ATOM      0  HG3 LYS A  19       2.669  -6.862   7.145  1.00  0.00           H   new
ATOM      0  HD2 LYS A  19       0.230  -8.021   7.238  1.00  0.00           H   new
ATOM      0  HD3 LYS A  19       1.123  -9.415   6.663  1.00  0.00           H   new
ATOM      0  HE2 LYS A  19       1.982  -7.767   9.094  1.00  0.00           H   new
ATOM      0  HE3 LYS A  19       0.983  -9.202   9.214  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  19       3.296  -9.780   9.509  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  19       2.743 -10.459   8.054  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  19       3.716  -9.068   8.026  1.00  0.00           H   new
ATOM    323  N   VAL A  20       4.142  -4.566   5.288  1.00  0.00           N
ATOM    324  CA  VAL A  20       5.420  -4.347   4.561  1.00  0.00           C
ATOM    325  C   VAL A  20       6.152  -5.674   4.441  1.00  0.00           C
ATOM    326  O   VAL A  20       6.297  -6.416   5.391  1.00  0.00           O
ATOM    327  CB  VAL A  20       6.265  -3.322   5.314  1.00  0.00           C
ATOM    328  CG1 VAL A  20       7.627  -3.185   4.635  1.00  0.00           C
ATOM    329  CG2 VAL A  20       5.540  -1.970   5.285  1.00  0.00           C
ATOM      0  H   VAL A  20       4.143  -4.286   6.269  1.00  0.00           H   new
ATOM      0  HA  VAL A  20       5.226  -3.960   3.560  1.00  0.00           H   new
ATOM      0  HB  VAL A  20       6.410  -3.645   6.345  1.00  0.00           H   new
ATOM      0 HG11 VAL A  20       8.230  -2.453   5.173  1.00  0.00           H   new
ATOM      0 HG12 VAL A  20       8.135  -4.149   4.642  1.00  0.00           H   new
ATOM      0 HG13 VAL A  20       7.489  -2.855   3.605  1.00  0.00           H   new
ATOM      0 HG21 VAL A  20       6.133  -1.228   5.820  1.00  0.00           H   new
ATOM      0 HG22 VAL A  20       5.406  -1.651   4.251  1.00  0.00           H   new
ATOM      0 HG23 VAL A  20       4.566  -2.069   5.763  1.00  0.00           H   new
ATOM    339  N   LEU A  21       6.587  -5.981   3.256  1.00  0.00           N
ATOM    340  CA  LEU A  21       7.286  -7.266   3.021  1.00  0.00           C
ATOM    341  C   LEU A  21       8.776  -7.079   3.272  1.00  0.00           C
ATOM    342  O   LEU A  21       9.474  -8.011   3.619  1.00  0.00           O
ATOM    343  CB  LEU A  21       7.064  -7.707   1.570  1.00  0.00           C
ATOM    344  CG  LEU A  21       5.721  -7.180   1.060  1.00  0.00           C
ATOM    345  CD1 LEU A  21       5.449  -7.746  -0.335  1.00  0.00           C
ATOM    346  CD2 LEU A  21       4.604  -7.616   2.012  1.00  0.00           C
ATOM      0  H   LEU A  21       6.486  -5.389   2.432  1.00  0.00           H   new
ATOM      0  HA  LEU A  21       6.894  -8.027   3.696  1.00  0.00           H   new
ATOM      0  HB2 LEU A  21       7.872  -7.334   0.941  1.00  0.00           H   new
ATOM      0  HB3 LEU A  21       7.085  -8.795   1.505  1.00  0.00           H   new
ATOM      0  HG  LEU A  21       5.753  -6.091   1.013  1.00  0.00           H   new
ATOM      0 HD11 LEU A  21       4.493  -7.371  -0.700  1.00  0.00           H   new
ATOM      0 HD12 LEU A  21       6.243  -7.436  -1.015  1.00  0.00           H   new
ATOM      0 HD13 LEU A  21       5.418  -8.834  -0.286  1.00  0.00           H   new
ATOM      0 HD21 LEU A  21       3.648  -7.240   1.648  1.00  0.00           H   new
ATOM      0 HD22 LEU A  21       4.571  -8.704   2.060  1.00  0.00           H   new
ATOM      0 HD23 LEU A  21       4.796  -7.214   3.007  1.00  0.00           H   new
ATOM    358  N   ARG A  22       9.266  -5.878   3.110  1.00  0.00           N
ATOM    359  CA  ARG A  22      10.725  -5.639   3.352  1.00  0.00           C
ATOM    360  C   ARG A  22      11.188  -4.351   2.667  1.00  0.00           C
ATOM    361  O   ARG A  22      10.396  -3.525   2.256  1.00  0.00           O
ATOM    362  CB  ARG A  22      11.538  -6.807   2.788  1.00  0.00           C
ATOM    363  CG  ARG A  22      12.132  -7.619   3.941  1.00  0.00           C
ATOM    364  CD  ARG A  22      13.654  -7.666   3.797  1.00  0.00           C
ATOM    365  NE  ARG A  22      14.014  -8.060   2.404  1.00  0.00           N
ATOM    366  CZ  ARG A  22      13.289  -8.937   1.762  1.00  0.00           C
ATOM    367  NH1 ARG A  22      12.902 -10.028   2.363  1.00  0.00           N
ATOM    368  NH2 ARG A  22      12.950  -8.720   0.521  1.00  0.00           N
ATOM      0  H   ARG A  22       8.729  -5.059   2.824  1.00  0.00           H   new
ATOM      0  HA  ARG A  22      10.879  -5.550   4.427  1.00  0.00           H   new
ATOM      0  HB2 ARG A  22      10.902  -7.442   2.171  1.00  0.00           H   new
ATOM      0  HB3 ARG A  22      12.334  -6.433   2.145  1.00  0.00           H   new
ATOM      0  HG2 ARG A  22      11.860  -7.169   4.896  1.00  0.00           H   new
ATOM      0  HG3 ARG A  22      11.724  -8.630   3.937  1.00  0.00           H   new
ATOM      0  HD2 ARG A  22      14.082  -6.691   4.032  1.00  0.00           H   new
ATOM      0  HD3 ARG A  22      14.075  -8.378   4.507  1.00  0.00           H   new
ATOM      0  HE  ARG A  22      14.828  -7.644   1.952  1.00  0.00           H   new
ATOM      0 HH11 ARG A  22      13.165 -10.196   3.334  1.00  0.00           H   new
ATOM      0 HH12 ARG A  22      12.336 -10.713   1.862  1.00  0.00           H   new
ATOM      0 HH21 ARG A  22      13.251  -7.866   0.052  1.00  0.00           H   new
ATOM      0 HH22 ARG A  22      12.384  -9.405   0.020  1.00  0.00           H   new
ATOM    499  N   ASN A  31      14.084   2.225   0.128  1.00  0.00           N
ATOM    500  CA  ASN A  31      12.647   2.091  -0.246  1.00  0.00           C
ATOM    501  C   ASN A  31      12.095   0.791   0.340  1.00  0.00           C
ATOM    502  O   ASN A  31      12.833  -0.054   0.806  1.00  0.00           O
ATOM    503  CB  ASN A  31      12.509   2.059  -1.771  1.00  0.00           C
ATOM    504  CG  ASN A  31      13.507   3.034  -2.397  1.00  0.00           C
ATOM    505  OD1 ASN A  31      14.253   2.671  -3.285  1.00  0.00           O
ATOM    506  ND2 ASN A  31      13.551   4.267  -1.971  1.00  0.00           N
ATOM      0  HA  ASN A  31      12.089   2.941   0.147  1.00  0.00           H   new
ATOM      0  HB2 ASN A  31      12.690   1.050  -2.141  1.00  0.00           H   new
ATOM      0  HB3 ASN A  31      11.493   2.327  -2.060  1.00  0.00           H   new
ATOM      0 HD21 ASN A  31      14.211   4.926  -2.383  1.00  0.00           H   new
ATOM      0 HD22 ASN A  31      12.925   4.572  -1.226  1.00  0.00           H   new
ATOM    513  N   PHE A  32      10.801   0.622   0.324  1.00  0.00           N
ATOM    514  CA  PHE A  32      10.202  -0.619   0.882  1.00  0.00           C
ATOM    515  C   PHE A  32       8.980  -1.019   0.052  1.00  0.00           C
ATOM    516  O   PHE A  32       8.166  -0.188  -0.313  1.00  0.00           O
ATOM    517  CB  PHE A  32       9.760  -0.370   2.327  1.00  0.00           C
ATOM    518  CG  PHE A  32      10.941  -0.490   3.260  1.00  0.00           C
ATOM    519  CD1 PHE A  32      11.937   0.494   3.260  1.00  0.00           C
ATOM    520  CD2 PHE A  32      11.036  -1.580   4.133  1.00  0.00           C
ATOM    521  CE1 PHE A  32      13.027   0.386   4.130  1.00  0.00           C
ATOM    522  CE2 PHE A  32      12.126  -1.687   5.004  1.00  0.00           C
ATOM    523  CZ  PHE A  32      13.122  -0.705   5.003  1.00  0.00           C
ATOM      0  H   PHE A  32      10.132   1.294  -0.053  1.00  0.00           H   new
ATOM      0  HA  PHE A  32      10.944  -1.417   0.854  1.00  0.00           H   new
ATOM      0  HB2 PHE A  32       9.318   0.622   2.414  1.00  0.00           H   new
ATOM      0  HB3 PHE A  32       8.990  -1.088   2.609  1.00  0.00           H   new
ATOM      0  HD1 PHE A  32      11.864   1.336   2.588  1.00  0.00           H   new
ATOM      0  HD2 PHE A  32      10.268  -2.339   4.134  1.00  0.00           H   new
ATOM      0  HE1 PHE A  32      13.796   1.144   4.129  1.00  0.00           H   new
ATOM      0  HE2 PHE A  32      12.198  -2.528   5.677  1.00  0.00           H   new
ATOM      0  HZ  PHE A  32      13.964  -0.788   5.675  1.00  0.00           H   new
ATOM    533  N   ILE A  33       8.835  -2.285  -0.230  1.00  0.00           N
ATOM    534  CA  ILE A  33       7.654  -2.737  -1.012  1.00  0.00           C
ATOM    535  C   ILE A  33       6.548  -3.109  -0.032  1.00  0.00           C
ATOM    536  O   ILE A  33       6.528  -4.195   0.513  1.00  0.00           O
ATOM    537  CB  ILE A  33       8.006  -3.964  -1.850  1.00  0.00           C
ATOM    538  CG1 ILE A  33       9.434  -3.829  -2.385  1.00  0.00           C
ATOM    539  CG2 ILE A  33       7.025  -4.077  -3.017  1.00  0.00           C
ATOM    540  CD1 ILE A  33       9.468  -2.769  -3.486  1.00  0.00           C
ATOM      0  H   ILE A  33       9.482  -3.023   0.047  1.00  0.00           H   new
ATOM      0  HA  ILE A  33       7.332  -1.937  -1.679  1.00  0.00           H   new
ATOM      0  HB  ILE A  33       7.940  -4.860  -1.232  1.00  0.00           H   new
ATOM      0 HG12 ILE A  33      10.112  -3.552  -1.577  1.00  0.00           H   new
ATOM      0 HG13 ILE A  33       9.779  -4.786  -2.776  1.00  0.00           H   new
ATOM      0 HG21 ILE A  33       7.273  -4.952  -3.618  1.00  0.00           H   new
ATOM      0 HG22 ILE A  33       6.011  -4.178  -2.631  1.00  0.00           H   new
ATOM      0 HG23 ILE A  33       7.091  -3.182  -3.636  1.00  0.00           H   new
ATOM      0 HD11 ILE A  33      10.485  -2.673  -3.867  1.00  0.00           H   new
ATOM      0 HD12 ILE A  33       8.803  -3.065  -4.297  1.00  0.00           H   new
ATOM      0 HD13 ILE A  33       9.141  -1.812  -3.080  1.00  0.00           H   new
ATOM    552  N   THR A  34       5.639  -2.216   0.216  1.00  0.00           N
ATOM    553  CA  THR A  34       4.555  -2.522   1.184  1.00  0.00           C
ATOM    554  C   THR A  34       3.365  -3.166   0.466  1.00  0.00           C
ATOM    555  O   THR A  34       2.755  -2.583  -0.408  1.00  0.00           O
ATOM    556  CB  THR A  34       4.112  -1.226   1.869  1.00  0.00           C
ATOM    557  OG1 THR A  34       5.105  -0.814   2.799  1.00  0.00           O
ATOM    558  CG2 THR A  34       2.789  -1.455   2.604  1.00  0.00           C
ATOM      0  H   THR A  34       5.598  -1.289  -0.208  1.00  0.00           H   new
ATOM      0  HA  THR A  34       4.928  -3.223   1.931  1.00  0.00           H   new
ATOM      0  HB  THR A  34       3.976  -0.451   1.115  1.00  0.00           H   new
ATOM      0  HG1 THR A  34       5.985  -0.833   2.368  1.00  0.00           H   new
ATOM      0 HG21 THR A  34       2.478  -0.530   3.090  1.00  0.00           H   new
ATOM      0 HG22 THR A  34       2.025  -1.765   1.891  1.00  0.00           H   new
ATOM      0 HG23 THR A  34       2.920  -2.233   3.356  1.00  0.00           H   new
ATOM    566  N   ALA A  35       3.036  -4.371   0.836  1.00  0.00           N
ATOM    567  CA  ALA A  35       1.881  -5.069   0.199  1.00  0.00           C
ATOM    568  C   ALA A  35       0.570  -4.572   0.817  1.00  0.00           C
ATOM    569  O   ALA A  35       0.366  -4.685   2.002  1.00  0.00           O
ATOM    570  CB  ALA A  35       2.004  -6.562   0.466  1.00  0.00           C
ATOM      0  H   ALA A  35       3.519  -4.907   1.557  1.00  0.00           H   new
ATOM      0  HA  ALA A  35       1.882  -4.868  -0.872  1.00  0.00           H   new
ATOM      0  HB1 ALA A  35       1.165  -7.084   0.005  1.00  0.00           H   new
ATOM      0  HB2 ALA A  35       2.938  -6.932   0.043  1.00  0.00           H   new
ATOM      0  HB3 ALA A  35       1.997  -6.741   1.541  1.00  0.00           H   new
ATOM    576  N   CYS A  36      -0.339  -4.052   0.037  1.00  0.00           N
ATOM    577  CA  CYS A  36      -1.627  -3.594   0.631  1.00  0.00           C
ATOM    578  C   CYS A  36      -2.746  -4.388  -0.043  1.00  0.00           C
ATOM    579  O   CYS A  36      -2.930  -4.304  -1.236  1.00  0.00           O
ATOM    580  CB  CYS A  36      -1.826  -2.077   0.423  1.00  0.00           C
ATOM    581  SG  CYS A  36      -0.534  -1.383  -0.643  1.00  0.00           S
ATOM      0  H   CYS A  36      -0.248  -3.926  -0.971  1.00  0.00           H   new
ATOM      0  HA  CYS A  36      -1.631  -3.766   1.707  1.00  0.00           H   new
ATOM      0  HB2 CYS A  36      -2.804  -1.894  -0.021  1.00  0.00           H   new
ATOM      0  HB3 CYS A  36      -1.815  -1.571   1.388  1.00  0.00           H   new
ATOM      0  HG  CYS A  36      -0.602  -1.931  -1.820  1.00  0.00           H   new
ATOM    587  N   ILE A  37      -3.463  -5.197   0.697  1.00  0.00           N
ATOM    588  CA  ILE A  37      -4.525  -6.035   0.060  1.00  0.00           C
ATOM    589  C   ILE A  37      -5.769  -5.214  -0.237  1.00  0.00           C
ATOM    590  O   ILE A  37      -6.227  -4.438   0.587  1.00  0.00           O
ATOM    591  CB  ILE A  37      -4.894  -7.221   0.983  1.00  0.00           C
ATOM    592  CG1 ILE A  37      -5.134  -8.476   0.135  1.00  0.00           C
ATOM    593  CG2 ILE A  37      -6.171  -6.938   1.803  1.00  0.00           C
ATOM    594  CD1 ILE A  37      -6.558  -8.470  -0.426  1.00  0.00           C
ATOM      0  H   ILE A  37      -3.361  -5.313   1.705  1.00  0.00           H   new
ATOM      0  HA  ILE A  37      -4.130  -6.416  -0.882  1.00  0.00           H   new
ATOM      0  HB  ILE A  37      -4.063  -7.368   1.673  1.00  0.00           H   new
ATOM      0 HG12 ILE A  37      -4.414  -8.515  -0.682  1.00  0.00           H   new
ATOM      0 HG13 ILE A  37      -4.978  -9.369   0.741  1.00  0.00           H   new
ATOM      0 HG21 ILE A  37      -6.394  -7.796   2.437  1.00  0.00           H   new
ATOM      0 HG22 ILE A  37      -6.016  -6.057   2.426  1.00  0.00           H   new
ATOM      0 HG23 ILE A  37      -7.006  -6.761   1.126  1.00  0.00           H   new
ATOM      0 HD11 ILE A  37      -6.716  -9.366  -1.026  1.00  0.00           H   new
ATOM      0 HD12 ILE A  37      -7.273  -8.453   0.397  1.00  0.00           H   new
ATOM      0 HD13 ILE A  37      -6.700  -7.587  -1.048  1.00  0.00           H   new
ATOM    606  N   VAL A  38      -6.328  -5.453  -1.400  1.00  0.00           N
ATOM    607  CA  VAL A  38      -7.586  -4.784  -1.836  1.00  0.00           C
ATOM    608  C   VAL A  38      -8.602  -5.883  -2.118  1.00  0.00           C
ATOM    609  O   VAL A  38      -8.255  -6.915  -2.651  1.00  0.00           O
ATOM    610  CB  VAL A  38      -7.373  -4.002  -3.134  1.00  0.00           C
ATOM    611  CG1 VAL A  38      -7.465  -2.502  -2.855  1.00  0.00           C
ATOM    612  CG2 VAL A  38      -6.008  -4.351  -3.731  1.00  0.00           C
ATOM      0  H   VAL A  38      -5.947  -6.107  -2.084  1.00  0.00           H   new
ATOM      0  HA  VAL A  38      -7.917  -4.093  -1.060  1.00  0.00           H   new
ATOM      0  HB  VAL A  38      -8.148  -4.273  -3.851  1.00  0.00           H   new
ATOM      0 HG11 VAL A  38      -7.313  -1.949  -3.782  1.00  0.00           H   new
ATOM      0 HG12 VAL A  38      -8.449  -2.267  -2.450  1.00  0.00           H   new
ATOM      0 HG13 VAL A  38      -6.699  -2.218  -2.134  1.00  0.00           H   new
ATOM      0 HG21 VAL A  38      -5.861  -3.792  -4.655  1.00  0.00           H   new
ATOM      0 HG22 VAL A  38      -5.223  -4.091  -3.021  1.00  0.00           H   new
ATOM      0 HG23 VAL A  38      -5.966  -5.419  -3.943  1.00  0.00           H   new
ATOM    622  N   GLY A  39      -9.838  -5.670  -1.770  1.00  0.00           N
ATOM    623  CA  GLY A  39     -10.885  -6.708  -2.017  1.00  0.00           C
ATOM    624  C   GLY A  39     -10.864  -7.136  -3.485  1.00  0.00           C
ATOM    625  O   GLY A  39     -11.621  -6.642  -4.297  1.00  0.00           O
ATOM      0  H   GLY A  39     -10.174  -4.818  -1.322  1.00  0.00           H   new
ATOM      0  HA2 GLY A  39     -10.710  -7.572  -1.376  1.00  0.00           H   new
ATOM      0  HA3 GLY A  39     -11.868  -6.313  -1.759  1.00  0.00           H   new
ATOM    629  N   SER A  40     -10.002  -8.054  -3.828  1.00  0.00           N
ATOM    630  CA  SER A  40      -9.914  -8.527  -5.234  1.00  0.00           C
ATOM    631  C   SER A  40      -8.555  -9.195  -5.438  1.00  0.00           C
ATOM    632  O   SER A  40      -8.452 -10.259  -6.017  1.00  0.00           O
ATOM    633  CB  SER A  40     -10.047  -7.340  -6.189  1.00  0.00           C
ATOM    634  OG  SER A  40     -11.366  -7.309  -6.720  1.00  0.00           O
ATOM      0  H   SER A  40      -9.348  -8.500  -3.184  1.00  0.00           H   new
ATOM      0  HA  SER A  40     -10.716  -9.236  -5.437  1.00  0.00           H   new
ATOM      0  HB2 SER A  40      -9.832  -6.410  -5.663  1.00  0.00           H   new
ATOM      0  HB3 SER A  40      -9.320  -7.425  -6.996  1.00  0.00           H   new
ATOM      0  HG  SER A  40     -11.994  -7.030  -6.021  1.00  0.00           H   new
ATOM    640  N   ILE A  41      -7.510  -8.573  -4.964  1.00  0.00           N
ATOM    641  CA  ILE A  41      -6.151  -9.153  -5.122  1.00  0.00           C
ATOM    642  C   ILE A  41      -5.182  -8.374  -4.236  1.00  0.00           C
ATOM    643  O   ILE A  41      -5.576  -7.481  -3.508  1.00  0.00           O
ATOM    644  CB  ILE A  41      -5.682  -9.036  -6.577  1.00  0.00           C
ATOM    645  CG1 ILE A  41      -6.629  -8.149  -7.398  1.00  0.00           C
ATOM    646  CG2 ILE A  41      -5.620 -10.427  -7.208  1.00  0.00           C
ATOM    647  CD1 ILE A  41      -6.741  -6.770  -6.743  1.00  0.00           C
ATOM      0  H   ILE A  41      -7.542  -7.681  -4.471  1.00  0.00           H   new
ATOM      0  HA  ILE A  41      -6.179 -10.205  -4.839  1.00  0.00           H   new
ATOM      0  HB  ILE A  41      -4.693  -8.578  -6.579  1.00  0.00           H   new
ATOM      0 HG12 ILE A  41      -6.257  -8.049  -8.418  1.00  0.00           H   new
ATOM      0 HG13 ILE A  41      -7.613  -8.613  -7.462  1.00  0.00           H   new
ATOM      0 HG21 ILE A  41      -5.287 -10.343  -8.242  1.00  0.00           H   new
ATOM      0 HG22 ILE A  41      -4.919 -11.049  -6.650  1.00  0.00           H   new
ATOM      0 HG23 ILE A  41      -6.610 -10.883  -7.182  1.00  0.00           H   new
ATOM      0 HD11 ILE A  41      -7.414  -6.143  -7.328  1.00  0.00           H   new
ATOM      0 HD12 ILE A  41      -7.133  -6.878  -5.732  1.00  0.00           H   new
ATOM      0 HD13 ILE A  41      -5.756  -6.306  -6.702  1.00  0.00           H   new
ATOM    659  N   VAL A  42      -3.914  -8.680  -4.297  1.00  0.00           N
ATOM    660  CA  VAL A  42      -2.944  -7.922  -3.461  1.00  0.00           C
ATOM    661  C   VAL A  42      -2.382  -6.770  -4.276  1.00  0.00           C
ATOM    662  O   VAL A  42      -1.901  -6.942  -5.379  1.00  0.00           O
ATOM    663  CB  VAL A  42      -1.771  -8.794  -3.011  1.00  0.00           C
ATOM    664  CG1 VAL A  42      -1.628  -8.703  -1.492  1.00  0.00           C
ATOM    665  CG2 VAL A  42      -1.996 -10.252  -3.423  1.00  0.00           C
ATOM      0  H   VAL A  42      -3.513  -9.413  -4.882  1.00  0.00           H   new
ATOM      0  HA  VAL A  42      -3.477  -7.569  -2.578  1.00  0.00           H   new
ATOM      0  HB  VAL A  42      -0.859  -8.436  -3.489  1.00  0.00           H   new
ATOM      0 HG11 VAL A  42      -0.793  -9.323  -1.167  1.00  0.00           H   new
ATOM      0 HG12 VAL A  42      -1.444  -7.668  -1.205  1.00  0.00           H   new
ATOM      0 HG13 VAL A  42      -2.545  -9.053  -1.019  1.00  0.00           H   new
ATOM      0 HG21 VAL A  42      -1.151 -10.857  -3.094  1.00  0.00           H   new
ATOM      0 HG22 VAL A  42      -2.910 -10.624  -2.961  1.00  0.00           H   new
ATOM      0 HG23 VAL A  42      -2.087 -10.314  -4.507  1.00  0.00           H   new
ATOM    675  N   THR A  43      -2.421  -5.605  -3.726  1.00  0.00           N
ATOM    676  CA  THR A  43      -1.873  -4.425  -4.432  1.00  0.00           C
ATOM    677  C   THR A  43      -0.751  -3.845  -3.579  1.00  0.00           C
ATOM    678  O   THR A  43      -0.978  -3.021  -2.721  1.00  0.00           O
ATOM    679  CB  THR A  43      -2.976  -3.380  -4.625  1.00  0.00           C
ATOM    680  OG1 THR A  43      -3.944  -3.880  -5.537  1.00  0.00           O
ATOM    681  CG2 THR A  43      -2.372  -2.086  -5.177  1.00  0.00           C
ATOM      0  H   THR A  43      -2.814  -5.412  -2.805  1.00  0.00           H   new
ATOM      0  HA  THR A  43      -1.492  -4.711  -5.412  1.00  0.00           H   new
ATOM      0  HB  THR A  43      -3.450  -3.173  -3.666  1.00  0.00           H   new
ATOM      0  HG1 THR A  43      -4.451  -3.133  -5.918  1.00  0.00           H   new
ATOM      0 HG21 THR A  43      -3.160  -1.345  -5.313  1.00  0.00           H   new
ATOM      0 HG22 THR A  43      -1.631  -1.703  -4.476  1.00  0.00           H   new
ATOM      0 HG23 THR A  43      -1.894  -2.287  -6.136  1.00  0.00           H   new
ATOM    689  N   GLU A  44       0.456  -4.283  -3.782  1.00  0.00           N
ATOM    690  CA  GLU A  44       1.570  -3.745  -2.958  1.00  0.00           C
ATOM    691  C   GLU A  44       2.015  -2.402  -3.516  1.00  0.00           C
ATOM    692  O   GLU A  44       1.390  -1.838  -4.392  1.00  0.00           O
ATOM    693  CB  GLU A  44       2.756  -4.707  -2.971  1.00  0.00           C
ATOM    694  CG  GLU A  44       3.218  -4.934  -4.412  1.00  0.00           C
ATOM    695  CD  GLU A  44       2.827  -6.345  -4.856  1.00  0.00           C
ATOM    696  OE1 GLU A  44       2.122  -7.004  -4.111  1.00  0.00           O
ATOM    697  OE2 GLU A  44       3.240  -6.741  -5.933  1.00  0.00           O
ATOM      0  H   GLU A  44       0.719  -4.983  -4.475  1.00  0.00           H   new
ATOM      0  HA  GLU A  44       1.218  -3.625  -1.934  1.00  0.00           H   new
ATOM      0  HB2 GLU A  44       3.574  -4.300  -2.376  1.00  0.00           H   new
ATOM      0  HB3 GLU A  44       2.472  -5.656  -2.516  1.00  0.00           H   new
ATOM      0  HG2 GLU A  44       2.764  -4.195  -5.072  1.00  0.00           H   new
ATOM      0  HG3 GLU A  44       4.298  -4.805  -4.484  1.00  0.00           H   new
ATOM    704  N   GLY A  45       3.096  -1.889  -3.011  1.00  0.00           N
ATOM    705  CA  GLY A  45       3.598  -0.578  -3.505  1.00  0.00           C
ATOM    706  C   GLY A  45       5.049  -0.428  -3.078  1.00  0.00           C
ATOM    707  O   GLY A  45       5.527  -1.159  -2.243  1.00  0.00           O
ATOM      0  H   GLY A  45       3.657  -2.320  -2.276  1.00  0.00           H   new
ATOM      0  HA2 GLY A  45       3.515  -0.525  -4.591  1.00  0.00           H   new
ATOM      0  HA3 GLY A  45       2.997   0.236  -3.099  1.00  0.00           H   new
ATOM    711  N   GLU A  46       5.762   0.503  -3.639  1.00  0.00           N
ATOM    712  CA  GLU A  46       7.183   0.666  -3.242  1.00  0.00           C
ATOM    713  C   GLU A  46       7.412   2.086  -2.730  1.00  0.00           C
ATOM    714  O   GLU A  46       7.695   2.994  -3.487  1.00  0.00           O
ATOM    715  CB  GLU A  46       8.092   0.397  -4.443  1.00  0.00           C
ATOM    716  CG  GLU A  46       7.321   0.602  -5.750  1.00  0.00           C
ATOM    717  CD  GLU A  46       8.262   0.395  -6.938  1.00  0.00           C
ATOM    718  OE1 GLU A  46       8.874  -0.658  -7.006  1.00  0.00           O
ATOM    719  OE2 GLU A  46       8.356   1.293  -7.758  1.00  0.00           O
ATOM      0  H   GLU A  46       5.426   1.153  -4.349  1.00  0.00           H   new
ATOM      0  HA  GLU A  46       7.418  -0.045  -2.450  1.00  0.00           H   new
ATOM      0  HB2 GLU A  46       8.953   1.064  -4.412  1.00  0.00           H   new
ATOM      0  HB3 GLU A  46       8.476  -0.622  -4.396  1.00  0.00           H   new
ATOM      0  HG2 GLU A  46       6.488  -0.099  -5.806  1.00  0.00           H   new
ATOM      0  HG3 GLU A  46       6.896   1.605  -5.780  1.00  0.00           H   new
ATOM    726  N   GLY A  47       7.300   2.281  -1.447  1.00  0.00           N
ATOM    727  CA  GLY A  47       7.522   3.642  -0.882  1.00  0.00           C
ATOM    728  C   GLY A  47       9.002   3.807  -0.561  1.00  0.00           C
ATOM    729  O   GLY A  47       9.833   3.049  -1.012  1.00  0.00           O
ATOM      0  H   GLY A  47       7.065   1.559  -0.765  1.00  0.00           H   new
ATOM      0  HA2 GLY A  47       7.204   4.403  -1.595  1.00  0.00           H   new
ATOM      0  HA3 GLY A  47       6.923   3.779   0.019  1.00  0.00           H   new
ATOM    798  N   VAL A  52       7.410   4.960   5.779  1.00  0.00           N
ATOM    799  CA  VAL A  52       6.767   5.497   4.548  1.00  0.00           C
ATOM    800  C   VAL A  52       6.155   4.348   3.749  1.00  0.00           C
ATOM    801  O   VAL A  52       5.054   4.446   3.248  1.00  0.00           O
ATOM    802  CB  VAL A  52       7.827   6.215   3.703  1.00  0.00           C
ATOM    803  CG1 VAL A  52       8.633   5.206   2.876  1.00  0.00           C
ATOM    804  CG2 VAL A  52       7.142   7.210   2.764  1.00  0.00           C
ATOM      0  HA  VAL A  52       5.979   6.200   4.818  1.00  0.00           H   new
ATOM      0  HB  VAL A  52       8.507   6.743   4.371  1.00  0.00           H   new
ATOM      0 HG11 VAL A  52       9.380   5.735   2.284  1.00  0.00           H   new
ATOM      0 HG12 VAL A  52       9.131   4.503   3.544  1.00  0.00           H   new
ATOM      0 HG13 VAL A  52       7.962   4.661   2.212  1.00  0.00           H   new
ATOM      0 HG21 VAL A  52       7.895   7.721   2.163  1.00  0.00           H   new
ATOM      0 HG22 VAL A  52       6.454   6.677   2.108  1.00  0.00           H   new
ATOM      0 HG23 VAL A  52       6.588   7.943   3.351  1.00  0.00           H   new
ATOM    814  N   SER A  53       6.874   3.267   3.624  1.00  0.00           N
ATOM    815  CA  SER A  53       6.363   2.095   2.851  1.00  0.00           C
ATOM    816  C   SER A  53       4.855   1.933   3.059  1.00  0.00           C
ATOM    817  O   SER A  53       4.120   1.654   2.137  1.00  0.00           O
ATOM    818  CB  SER A  53       7.080   0.829   3.316  1.00  0.00           C
ATOM    819  OG  SER A  53       7.220  -0.062   2.217  1.00  0.00           O
ATOM      0  H   SER A  53       7.803   3.142   4.027  1.00  0.00           H   new
ATOM      0  HA  SER A  53       6.555   2.261   1.791  1.00  0.00           H   new
ATOM      0  HB2 SER A  53       8.060   1.080   3.722  1.00  0.00           H   new
ATOM      0  HB3 SER A  53       6.516   0.351   4.117  1.00  0.00           H   new
ATOM      0  HG  SER A  53       7.525   0.435   1.430  1.00  0.00           H   new
ATOM    825  N   LYS A  54       4.386   2.105   4.262  1.00  0.00           N
ATOM    826  CA  LYS A  54       2.918   1.962   4.511  1.00  0.00           C
ATOM    827  C   LYS A  54       2.162   3.046   3.736  1.00  0.00           C
ATOM    828  O   LYS A  54       1.364   2.756   2.867  1.00  0.00           O
ATOM    829  CB  LYS A  54       2.615   2.090   6.010  1.00  0.00           C
ATOM    830  CG  LYS A  54       3.590   3.070   6.672  1.00  0.00           C
ATOM    831  CD  LYS A  54       2.812   4.039   7.564  1.00  0.00           C
ATOM    832  CE  LYS A  54       3.461   4.095   8.948  1.00  0.00           C
ATOM    833  NZ  LYS A  54       2.406   4.264   9.986  1.00  0.00           N
ATOM      0  H   LYS A  54       4.948   2.337   5.081  1.00  0.00           H   new
ATOM      0  HA  LYS A  54       2.595   0.977   4.173  1.00  0.00           H   new
ATOM      0  HB2 LYS A  54       1.591   2.435   6.152  1.00  0.00           H   new
ATOM      0  HB3 LYS A  54       2.692   1.113   6.487  1.00  0.00           H   new
ATOM      0  HG2 LYS A  54       4.325   2.524   7.264  1.00  0.00           H   new
ATOM      0  HG3 LYS A  54       4.141   3.622   5.910  1.00  0.00           H   new
ATOM      0  HD2 LYS A  54       2.801   5.033   7.116  1.00  0.00           H   new
ATOM      0  HD3 LYS A  54       1.774   3.717   7.650  1.00  0.00           H   new
ATOM      0  HE2 LYS A  54       4.026   3.181   9.134  1.00  0.00           H   new
ATOM      0  HE3 LYS A  54       4.169   4.922   8.996  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  54       2.848   4.302  10.927  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  54       1.886   5.148   9.812  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  54       1.747   3.461   9.945  1.00  0.00           H   new
ATOM    847  N   LYS A  55       2.407   4.293   4.037  1.00  0.00           N
ATOM    848  CA  LYS A  55       1.702   5.385   3.309  1.00  0.00           C
ATOM    849  C   LYS A  55       1.796   5.126   1.804  1.00  0.00           C
ATOM    850  O   LYS A  55       0.800   4.939   1.132  1.00  0.00           O
ATOM    851  CB  LYS A  55       2.365   6.725   3.638  1.00  0.00           C
ATOM    852  CG  LYS A  55       2.134   7.062   5.112  1.00  0.00           C
ATOM    853  CD  LYS A  55       3.483   7.217   5.818  1.00  0.00           C
ATOM    854  CE  LYS A  55       4.113   8.555   5.428  1.00  0.00           C
ATOM    855  NZ  LYS A  55       5.405   8.726   6.152  1.00  0.00           N
ATOM      0  H   LYS A  55       3.064   4.601   4.754  1.00  0.00           H   new
ATOM      0  HA  LYS A  55       0.655   5.414   3.612  1.00  0.00           H   new
ATOM      0  HB2 LYS A  55       3.434   6.675   3.429  1.00  0.00           H   new
ATOM      0  HB3 LYS A  55       1.953   7.511   3.006  1.00  0.00           H   new
ATOM      0  HG2 LYS A  55       1.558   7.983   5.199  1.00  0.00           H   new
ATOM      0  HG3 LYS A  55       1.550   6.275   5.589  1.00  0.00           H   new
ATOM      0  HD2 LYS A  55       3.348   7.168   6.898  1.00  0.00           H   new
ATOM      0  HD3 LYS A  55       4.146   6.397   5.542  1.00  0.00           H   new
ATOM      0  HE2 LYS A  55       4.280   8.591   4.351  1.00  0.00           H   new
ATOM      0  HE3 LYS A  55       3.436   9.373   5.673  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  55       5.673   9.731   6.151  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  55       5.300   8.396   7.133  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  55       6.145   8.170   5.678  1.00  0.00           H   new
ATOM    869  N   ARG A  56       2.987   5.109   1.273  1.00  0.00           N
ATOM    870  CA  ARG A  56       3.151   4.859  -0.185  1.00  0.00           C
ATOM    871  C   ARG A  56       2.251   3.695  -0.603  1.00  0.00           C
ATOM    872  O   ARG A  56       1.294   3.886  -1.322  1.00  0.00           O
ATOM    873  CB  ARG A  56       4.611   4.522  -0.484  1.00  0.00           C
ATOM    874  CG  ARG A  56       5.383   5.818  -0.742  1.00  0.00           C
ATOM    875  CD  ARG A  56       5.245   6.209  -2.213  1.00  0.00           C
ATOM    876  NE  ARG A  56       4.106   7.157  -2.369  1.00  0.00           N
ATOM    877  CZ  ARG A  56       3.972   7.843  -3.470  1.00  0.00           C
ATOM    878  NH1 ARG A  56       4.575   8.993  -3.598  1.00  0.00           N
ATOM    879  NH2 ARG A  56       3.234   7.381  -4.441  1.00  0.00           N
ATOM      0  H   ARG A  56       3.855   5.258   1.788  1.00  0.00           H   new
ATOM      0  HA  ARG A  56       2.869   5.751  -0.745  1.00  0.00           H   new
ATOM      0  HB2 ARG A  56       5.052   3.983   0.355  1.00  0.00           H   new
ATOM      0  HB3 ARG A  56       4.675   3.867  -1.353  1.00  0.00           H   new
ATOM      0  HG2 ARG A  56       4.999   6.615  -0.105  1.00  0.00           H   new
ATOM      0  HG3 ARG A  56       6.434   5.684  -0.487  1.00  0.00           H   new
ATOM      0  HD2 ARG A  56       6.167   6.670  -2.566  1.00  0.00           H   new
ATOM      0  HD3 ARG A  56       5.079   5.321  -2.823  1.00  0.00           H   new
ATOM      0  HE  ARG A  56       3.430   7.270  -1.613  1.00  0.00           H   new
ATOM      0 HH11 ARG A  56       5.150   9.355  -2.837  1.00  0.00           H   new
ATOM      0 HH12 ARG A  56       4.471   9.530  -4.459  1.00  0.00           H   new
ATOM      0 HH21 ARG A  56       2.761   6.483  -4.339  1.00  0.00           H   new
ATOM      0 HH22 ARG A  56       3.129   7.918  -5.302  1.00  0.00           H   new
ATOM    893  N   ALA A  57       2.555   2.496  -0.159  1.00  0.00           N
ATOM    894  CA  ALA A  57       1.721   1.307  -0.523  1.00  0.00           C
ATOM    895  C   ALA A  57       0.256   1.731  -0.641  1.00  0.00           C
ATOM    896  O   ALA A  57      -0.418   1.412  -1.597  1.00  0.00           O
ATOM    897  CB  ALA A  57       1.847   0.222   0.561  1.00  0.00           C
ATOM      0  H   ALA A  57       3.351   2.291   0.444  1.00  0.00           H   new
ATOM      0  HA  ALA A  57       2.070   0.906  -1.475  1.00  0.00           H   new
ATOM      0  HB1 ALA A  57       1.237  -0.639   0.287  1.00  0.00           H   new
ATOM      0  HB2 ALA A  57       2.889  -0.085   0.649  1.00  0.00           H   new
ATOM      0  HB3 ALA A  57       1.505   0.620   1.516  1.00  0.00           H   new
ATOM    903  N   ALA A  58      -0.234   2.459   0.326  1.00  0.00           N
ATOM    904  CA  ALA A  58      -1.651   2.919   0.275  1.00  0.00           C
ATOM    905  C   ALA A  58      -1.868   3.741  -0.996  1.00  0.00           C
ATOM    906  O   ALA A  58      -2.754   3.462  -1.778  1.00  0.00           O
ATOM    907  CB  ALA A  58      -1.956   3.783   1.502  1.00  0.00           C
ATOM      0  H   ALA A  58       0.288   2.755   1.151  1.00  0.00           H   new
ATOM      0  HA  ALA A  58      -2.315   2.055   0.270  1.00  0.00           H   new
ATOM      0  HB1 ALA A  58      -2.992   4.118   1.462  1.00  0.00           H   new
ATOM      0  HB2 ALA A  58      -1.798   3.197   2.408  1.00  0.00           H   new
ATOM      0  HB3 ALA A  58      -1.295   4.649   1.510  1.00  0.00           H   new
ATOM    913  N   GLU A  59      -1.066   4.750  -1.218  1.00  0.00           N
ATOM    914  CA  GLU A  59      -1.244   5.565  -2.453  1.00  0.00           C
ATOM    915  C   GLU A  59      -1.331   4.619  -3.645  1.00  0.00           C
ATOM    916  O   GLU A  59      -2.128   4.798  -4.538  1.00  0.00           O
ATOM    917  CB  GLU A  59      -0.052   6.507  -2.641  1.00  0.00           C
ATOM    918  CG  GLU A  59      -0.321   7.826  -1.915  1.00  0.00           C
ATOM    919  CD  GLU A  59      -0.142   8.992  -2.890  1.00  0.00           C
ATOM    920  OE1 GLU A  59       0.754   8.915  -3.716  1.00  0.00           O
ATOM    921  OE2 GLU A  59      -0.903   9.941  -2.795  1.00  0.00           O
ATOM      0  H   GLU A  59      -0.305   5.041  -0.605  1.00  0.00           H   new
ATOM      0  HA  GLU A  59      -2.153   6.162  -2.371  1.00  0.00           H   new
ATOM      0  HB2 GLU A  59       0.855   6.044  -2.252  1.00  0.00           H   new
ATOM      0  HB3 GLU A  59       0.115   6.692  -3.702  1.00  0.00           H   new
ATOM      0  HG2 GLU A  59      -1.332   7.830  -1.509  1.00  0.00           H   new
ATOM      0  HG3 GLU A  59       0.361   7.935  -1.072  1.00  0.00           H   new
ATOM    928  N   LYS A  60      -0.517   3.604  -3.653  1.00  0.00           N
ATOM    929  CA  LYS A  60      -0.543   2.626  -4.772  1.00  0.00           C
ATOM    930  C   LYS A  60      -1.919   1.962  -4.820  1.00  0.00           C
ATOM    931  O   LYS A  60      -2.480   1.735  -5.873  1.00  0.00           O
ATOM    932  CB  LYS A  60       0.533   1.562  -4.527  1.00  0.00           C
ATOM    933  CG  LYS A  60       1.161   1.150  -5.860  1.00  0.00           C
ATOM    934  CD  LYS A  60       2.333   2.080  -6.182  1.00  0.00           C
ATOM    935  CE  LYS A  60       1.828   3.276  -6.992  1.00  0.00           C
ATOM    936  NZ  LYS A  60       2.734   3.506  -8.153  1.00  0.00           N
ATOM      0  H   LYS A  60       0.171   3.408  -2.926  1.00  0.00           H   new
ATOM      0  HA  LYS A  60      -0.349   3.131  -5.718  1.00  0.00           H   new
ATOM      0  HB2 LYS A  60       1.300   1.953  -3.858  1.00  0.00           H   new
ATOM      0  HB3 LYS A  60       0.094   0.693  -4.036  1.00  0.00           H   new
ATOM      0  HG2 LYS A  60       1.506   0.117  -5.808  1.00  0.00           H   new
ATOM      0  HG3 LYS A  60       0.417   1.197  -6.655  1.00  0.00           H   new
ATOM      0  HD2 LYS A  60       2.802   2.424  -5.260  1.00  0.00           H   new
ATOM      0  HD3 LYS A  60       3.095   1.541  -6.746  1.00  0.00           H   new
ATOM      0  HE2 LYS A  60       0.812   3.090  -7.341  1.00  0.00           H   new
ATOM      0  HE3 LYS A  60       1.792   4.166  -6.363  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  60       2.392   4.319  -8.705  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  60       3.696   3.701  -7.809  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  60       2.747   2.659  -8.756  1.00  0.00           H   new
ATOM    950  N   MET A  61      -2.461   1.651  -3.676  1.00  0.00           N
ATOM    951  CA  MET A  61      -3.797   0.996  -3.616  1.00  0.00           C
ATOM    952  C   MET A  61      -4.891   1.981  -4.043  1.00  0.00           C
ATOM    953  O   MET A  61      -5.490   1.845  -5.095  1.00  0.00           O
ATOM    954  CB  MET A  61      -4.050   0.550  -2.176  1.00  0.00           C
ATOM    955  CG  MET A  61      -5.503   0.112  -2.014  1.00  0.00           C
ATOM    956  SD  MET A  61      -5.578  -1.222  -0.799  1.00  0.00           S
ATOM    957  CE  MET A  61      -4.598  -2.419  -1.738  1.00  0.00           C
ATOM      0  H   MET A  61      -2.029   1.825  -2.768  1.00  0.00           H   new
ATOM      0  HA  MET A  61      -3.816   0.140  -4.291  1.00  0.00           H   new
ATOM      0  HB2 MET A  61      -3.383  -0.272  -1.919  1.00  0.00           H   new
ATOM      0  HB3 MET A  61      -3.829   1.367  -1.489  1.00  0.00           H   new
ATOM      0  HG2 MET A  61      -6.116   0.953  -1.690  1.00  0.00           H   new
ATOM      0  HG3 MET A  61      -5.904  -0.225  -2.970  1.00  0.00           H   new
ATOM      0  HE1 MET A  61      -4.874  -3.430  -1.439  1.00  0.00           H   new
ATOM      0  HE2 MET A  61      -4.790  -2.291  -2.803  1.00  0.00           H   new
ATOM      0  HE3 MET A  61      -3.539  -2.258  -1.538  1.00  0.00           H   new
ATOM    967  N   LEU A  62      -5.165   2.968  -3.233  1.00  0.00           N
ATOM    968  CA  LEU A  62      -6.227   3.951  -3.590  1.00  0.00           C
ATOM    969  C   LEU A  62      -6.001   4.418  -5.025  1.00  0.00           C
ATOM    970  O   LEU A  62      -6.859   4.290  -5.875  1.00  0.00           O
ATOM    971  CB  LEU A  62      -6.172   5.139  -2.629  1.00  0.00           C
ATOM    972  CG  LEU A  62      -6.415   4.693  -1.168  1.00  0.00           C
ATOM    973  CD1 LEU A  62      -7.344   5.696  -0.495  1.00  0.00           C
ATOM    974  CD2 LEU A  62      -7.081   3.305  -1.072  1.00  0.00           C
ATOM      0  H   LEU A  62      -4.700   3.136  -2.341  1.00  0.00           H   new
ATOM      0  HA  LEU A  62      -7.210   3.487  -3.511  1.00  0.00           H   new
ATOM      0  HB2 LEU A  62      -5.200   5.626  -2.706  1.00  0.00           H   new
ATOM      0  HB3 LEU A  62      -6.922   5.876  -2.916  1.00  0.00           H   new
ATOM      0  HG  LEU A  62      -5.441   4.642  -0.682  1.00  0.00           H   new
ATOM      0 HD11 LEU A  62      -7.523   5.391   0.536  1.00  0.00           H   new
ATOM      0 HD12 LEU A  62      -6.883   6.684  -0.507  1.00  0.00           H   new
ATOM      0 HD13 LEU A  62      -8.292   5.731  -1.032  1.00  0.00           H   new
ATOM      0 HD21 LEU A  62      -7.227   3.043  -0.024  1.00  0.00           H   new
ATOM      0 HD22 LEU A  62      -8.046   3.329  -1.578  1.00  0.00           H   new
ATOM      0 HD23 LEU A  62      -6.441   2.561  -1.546  1.00  0.00           H   new
ATOM    986  N   VAL A  63      -4.843   4.935  -5.310  1.00  0.00           N
ATOM    987  CA  VAL A  63      -4.558   5.381  -6.698  1.00  0.00           C
ATOM    988  C   VAL A  63      -4.914   4.239  -7.651  1.00  0.00           C
ATOM    989  O   VAL A  63      -5.490   4.444  -8.699  1.00  0.00           O
ATOM    990  CB  VAL A  63      -3.071   5.710  -6.835  1.00  0.00           C
ATOM    991  CG1 VAL A  63      -2.763   6.082  -8.281  1.00  0.00           C
ATOM    992  CG2 VAL A  63      -2.717   6.884  -5.919  1.00  0.00           C
ATOM      0  H   VAL A  63      -4.082   5.068  -4.644  1.00  0.00           H   new
ATOM      0  HA  VAL A  63      -5.143   6.270  -6.935  1.00  0.00           H   new
ATOM      0  HB  VAL A  63      -2.481   4.839  -6.550  1.00  0.00           H   new
ATOM      0 HG11 VAL A  63      -1.703   6.317  -8.378  1.00  0.00           H   new
ATOM      0 HG12 VAL A  63      -3.011   5.244  -8.933  1.00  0.00           H   new
ATOM      0 HG13 VAL A  63      -3.355   6.952  -8.567  1.00  0.00           H   new
ATOM      0 HG21 VAL A  63      -1.657   7.116  -6.019  1.00  0.00           H   new
ATOM      0 HG22 VAL A  63      -3.308   7.756  -6.200  1.00  0.00           H   new
ATOM      0 HG23 VAL A  63      -2.934   6.617  -4.885  1.00  0.00           H   new
ATOM   1002  N   GLU A  64      -4.569   3.033  -7.285  1.00  0.00           N
ATOM   1003  CA  GLU A  64      -4.879   1.863  -8.155  1.00  0.00           C
ATOM   1004  C   GLU A  64      -6.377   1.823  -8.471  1.00  0.00           C
ATOM   1005  O   GLU A  64      -6.785   2.035  -9.596  1.00  0.00           O
ATOM   1006  CB  GLU A  64      -4.484   0.571  -7.437  1.00  0.00           C
ATOM   1007  CG  GLU A  64      -3.259  -0.039  -8.119  1.00  0.00           C
ATOM   1008  CD  GLU A  64      -3.712  -1.035  -9.189  1.00  0.00           C
ATOM   1009  OE1 GLU A  64      -4.861  -0.957  -9.594  1.00  0.00           O
ATOM   1010  OE2 GLU A  64      -2.904  -1.857  -9.585  1.00  0.00           O
ATOM      0  H   GLU A  64      -4.084   2.808  -6.417  1.00  0.00           H   new
ATOM      0  HA  GLU A  64      -4.317   1.957  -9.084  1.00  0.00           H   new
ATOM      0  HB2 GLU A  64      -4.265   0.777  -6.389  1.00  0.00           H   new
ATOM      0  HB3 GLU A  64      -5.313  -0.136  -7.456  1.00  0.00           H   new
ATOM      0  HG2 GLU A  64      -2.653   0.746  -8.571  1.00  0.00           H   new
ATOM      0  HG3 GLU A  64      -2.632  -0.541  -7.382  1.00  0.00           H   new
ATOM   1017  N   LEU A  65      -7.202   1.533  -7.498  1.00  0.00           N
ATOM   1018  CA  LEU A  65      -8.671   1.459  -7.777  1.00  0.00           C
ATOM   1019  C   LEU A  65      -9.123   2.702  -8.552  1.00  0.00           C
ATOM   1020  O   LEU A  65     -10.043   2.642  -9.343  1.00  0.00           O
ATOM   1021  CB  LEU A  65      -9.487   1.351  -6.480  1.00  0.00           C
ATOM   1022  CG  LEU A  65      -8.689   1.877  -5.290  1.00  0.00           C
ATOM   1023  CD1 LEU A  65      -9.621   2.654  -4.360  1.00  0.00           C
ATOM   1024  CD2 LEU A  65      -8.088   0.695  -4.535  1.00  0.00           C
ATOM      0  H   LEU A  65      -6.929   1.346  -6.533  1.00  0.00           H   new
ATOM      0  HA  LEU A  65      -8.847   0.563  -8.372  1.00  0.00           H   new
ATOM      0  HB2 LEU A  65     -10.414   1.916  -6.580  1.00  0.00           H   new
ATOM      0  HB3 LEU A  65      -9.765   0.312  -6.306  1.00  0.00           H   new
ATOM      0  HG  LEU A  65      -7.893   2.535  -5.638  1.00  0.00           H   new
ATOM      0 HD11 LEU A  65      -9.054   3.031  -3.509  1.00  0.00           H   new
ATOM      0 HD12 LEU A  65     -10.061   3.491  -4.902  1.00  0.00           H   new
ATOM      0 HD13 LEU A  65     -10.413   1.995  -4.005  1.00  0.00           H   new
ATOM      0 HD21 LEU A  65      -7.516   1.061  -3.683  1.00  0.00           H   new
ATOM      0 HD22 LEU A  65      -8.888   0.044  -4.182  1.00  0.00           H   new
ATOM      0 HD23 LEU A  65      -7.431   0.135  -5.200  1.00  0.00           H   new
ATOM   1036  N   GLN A  66      -8.498   3.828  -8.335  1.00  0.00           N
ATOM   1037  CA  GLN A  66      -8.922   5.057  -9.069  1.00  0.00           C
ATOM   1038  C   GLN A  66      -8.631   4.893 -10.564  1.00  0.00           C
ATOM   1039  O   GLN A  66      -9.427   5.263 -11.403  1.00  0.00           O
ATOM   1040  CB  GLN A  66      -8.162   6.280  -8.535  1.00  0.00           C
ATOM   1041  CG  GLN A  66      -8.518   6.552  -7.061  1.00  0.00           C
ATOM   1042  CD  GLN A  66      -9.892   6.033  -6.717  1.00  0.00           C
ATOM   1043  OE1 GLN A  66     -10.866   6.316  -7.386  1.00  0.00           O
ATOM   1044  NE2 GLN A  66      -9.998   5.276  -5.679  1.00  0.00           N
ATOM      0  H   GLN A  66      -7.719   3.951  -7.688  1.00  0.00           H   new
ATOM      0  HA  GLN A  66      -9.991   5.205  -8.918  1.00  0.00           H   new
ATOM      0  HB2 GLN A  66      -7.089   6.115  -8.629  1.00  0.00           H   new
ATOM      0  HB3 GLN A  66      -8.404   7.155  -9.139  1.00  0.00           H   new
ATOM      0  HG2 GLN A  66      -7.778   6.081  -6.414  1.00  0.00           H   new
ATOM      0  HG3 GLN A  66      -8.474   7.624  -6.867  1.00  0.00           H   new
ATOM      0 HE21 GLN A  66      -9.171   5.048  -5.128  1.00  0.00           H   new
ATOM      0 HE22 GLN A  66     -10.909   4.905  -5.409  1.00  0.00           H   new
ATOM   1053  N   LYS A  67      -7.498   4.342 -10.904  1.00  0.00           N
ATOM   1054  CA  LYS A  67      -7.164   4.161 -12.345  1.00  0.00           C
ATOM   1055  C   LYS A  67      -8.126   3.149 -12.968  1.00  0.00           C
ATOM   1056  O   LYS A  67      -8.506   3.263 -14.116  1.00  0.00           O
ATOM   1057  CB  LYS A  67      -5.729   3.647 -12.475  1.00  0.00           C
ATOM   1058  CG  LYS A  67      -4.757   4.827 -12.432  1.00  0.00           C
ATOM   1059  CD  LYS A  67      -3.320   4.306 -12.381  1.00  0.00           C
ATOM   1060  CE  LYS A  67      -2.744   4.255 -13.797  1.00  0.00           C
ATOM   1061  NZ  LYS A  67      -2.682   5.635 -14.357  1.00  0.00           N
ATOM      0  H   LYS A  67      -6.791   4.010 -10.248  1.00  0.00           H   new
ATOM      0  HA  LYS A  67      -7.256   5.116 -12.862  1.00  0.00           H   new
ATOM      0  HB2 LYS A  67      -5.507   2.950 -11.667  1.00  0.00           H   new
ATOM      0  HB3 LYS A  67      -5.611   3.099 -13.410  1.00  0.00           H   new
ATOM      0  HG2 LYS A  67      -4.895   5.457 -13.311  1.00  0.00           H   new
ATOM      0  HG3 LYS A  67      -4.961   5.448 -11.559  1.00  0.00           H   new
ATOM      0  HD2 LYS A  67      -2.709   4.954 -11.752  1.00  0.00           H   new
ATOM      0  HD3 LYS A  67      -3.298   3.313 -11.932  1.00  0.00           H   new
ATOM      0  HE2 LYS A  67      -1.748   3.812 -13.780  1.00  0.00           H   new
ATOM      0  HE3 LYS A  67      -3.364   3.621 -14.431  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  67      -1.831   5.732 -14.947  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  67      -3.527   5.813 -14.936  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  67      -2.644   6.324 -13.579  1.00  0.00           H   new
ATOM   1075  N   LEU A  68      -8.521   2.159 -12.219  1.00  0.00           N
ATOM   1076  CA  LEU A  68      -9.455   1.139 -12.760  1.00  0.00           C
ATOM   1077  C   LEU A  68     -10.827   1.775 -12.996  1.00  0.00           C
ATOM   1078  O   LEU A  68     -11.213   1.892 -14.147  1.00  0.00           O
ATOM   1079  CB  LEU A  68      -9.583   0.000 -11.752  1.00  0.00           C
ATOM   1080  CG  LEU A  68      -8.192  -0.539 -11.414  1.00  0.00           C
ATOM   1081  CD1 LEU A  68      -8.326  -1.847 -10.633  1.00  0.00           C
ATOM   1082  CD2 LEU A  68      -7.419  -0.798 -12.710  1.00  0.00           C
ATOM   1083  OXT LEU A  68     -11.467   2.135 -12.023  1.00  0.00           O
ATOM      0  H   LEU A  68      -8.235   2.013 -11.251  1.00  0.00           H   new
ATOM      0  HA  LEU A  68      -9.074   0.752 -13.705  1.00  0.00           H   new
ATOM      0  HB2 LEU A  68     -10.077   0.354 -10.847  1.00  0.00           H   new
ATOM      0  HB3 LEU A  68     -10.203  -0.796 -12.163  1.00  0.00           H   new
ATOM      0  HG  LEU A  68      -7.657   0.192 -10.808  1.00  0.00           H   new
ATOM      0 HD11 LEU A  68      -7.334  -2.230 -10.393  1.00  0.00           H   new
ATOM      0 HD12 LEU A  68      -8.878  -1.665  -9.711  1.00  0.00           H   new
ATOM      0 HD13 LEU A  68      -8.861  -2.579 -11.238  1.00  0.00           H   new
ATOM      0 HD21 LEU A  68      -6.427  -1.182 -12.472  1.00  0.00           H   new
ATOM      0 HD22 LEU A  68      -7.956  -1.529 -13.314  1.00  0.00           H   new
ATOM      0 HD23 LEU A  68      -7.323   0.133 -13.268  1.00  0.00           H   new