USER  MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=9
USER  MOD reduce.3.24.130724 removed 297 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  12 ASN     :      amide:sc=  -0.554  K(o=-0.41,f=-4.8!)
USER  MOD Set 1.2: A  13 HIS     :     no HE2:sc=   0.143  K(o=-0.41,f=-4!)
USER  MOD Single : A   1 ALA N   :NH3+    141:sc=  0.0038   (180deg=0)
USER  MOD Single : A   2 THR OG1 :   rot  107:sc=     1.3
USER  MOD Single : A   7 SER OG  :   rot  180:sc= 0.00606
USER  MOD Single : A   8 LYS NZ  :NH3+    172:sc=-0.00457   (180deg=-0.128)
USER  MOD Single : A  10 ASN     :      amide:sc=    1.06  K(o=1.1,f=-0.099)
USER  MOD Single : A  14 THR OG1 :   rot   59:sc=   0.543
USER  MOD Single : A  19 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD Single : A  25 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  29 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  31 ASN     :      amide:sc=  -0.422  K(o=-0.42,f=-1.4)
USER  MOD Single : A  32 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  40 ASN     :      amide:sc=    -2.9! C(o=-2.9!,f=-5.5!)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   ALA A   1       2.112   8.071 -14.388  1.00  0.00           N
ATOM      2  CA  ALA A   1       2.687   8.440 -13.074  1.00  0.00           C
ATOM      3  C   ALA A   1       2.205   9.818 -12.654  1.00  0.00           C
ATOM      4  O   ALA A   1       2.214  10.759 -13.445  1.00  0.00           O
ATOM      5  CB  ALA A   1       4.204   8.398 -13.126  1.00  0.00           C
ATOM      0  H1  ALA A   1       2.829   7.574 -14.953  1.00  0.00           H   new
ATOM      0  H2  ALA A   1       1.291   7.449 -14.245  1.00  0.00           H   new
ATOM      0  H3  ALA A   1       1.811   8.931 -14.889  1.00  0.00           H   new
ATOM      0  HA  ALA A   1       2.350   7.716 -12.333  1.00  0.00           H   new
ATOM      0  HB1 ALA A   1       4.609   8.672 -12.152  1.00  0.00           H   new
ATOM      0  HB2 ALA A   1       4.531   7.391 -13.385  1.00  0.00           H   new
ATOM      0  HB3 ALA A   1       4.562   9.101 -13.878  1.00  0.00           H   new
ATOM     13  N   THR A   2       1.769   9.922 -11.414  1.00  0.00           N
ATOM     14  CA  THR A   2       1.266  11.174 -10.878  1.00  0.00           C
ATOM     15  C   THR A   2       2.285  11.821  -9.943  1.00  0.00           C
ATOM     16  O   THR A   2       3.445  11.403  -9.891  1.00  0.00           O
ATOM     17  CB  THR A   2      -0.042  10.916 -10.105  1.00  0.00           C
ATOM     18  OG1 THR A   2      -0.278   9.504 -10.013  1.00  0.00           O
ATOM     19  CG2 THR A   2      -1.222  11.590 -10.785  1.00  0.00           C
ATOM      0  H   THR A   2       1.753   9.146 -10.752  1.00  0.00           H   new
ATOM      0  HA  THR A   2       1.081  11.852 -11.711  1.00  0.00           H   new
ATOM      0  HB  THR A   2       0.062  11.338  -9.105  1.00  0.00           H   new
ATOM      0  HG1 THR A   2      -0.111   9.204  -9.095  1.00  0.00           H   new
ATOM      0 HG21 THR A   2      -2.131  11.391 -10.218  1.00  0.00           H   new
ATOM      0 HG22 THR A   2      -1.050  12.665 -10.830  1.00  0.00           H   new
ATOM      0 HG23 THR A   2      -1.332  11.198 -11.796  1.00  0.00           H   new
ATOM     27  N   CYS A   3       1.822  12.817  -9.189  1.00  0.00           N
ATOM     28  CA  CYS A   3       2.638  13.521  -8.205  1.00  0.00           C
ATOM     29  C   CYS A   3       3.840  14.229  -8.831  1.00  0.00           C
ATOM     30  O   CYS A   3       4.895  14.327  -8.209  1.00  0.00           O
ATOM     31  CB  CYS A   3       3.095  12.538  -7.122  1.00  0.00           C
ATOM     32  SG  CYS A   3       1.830  11.297  -6.698  1.00  0.00           S
ATOM      0  H   CYS A   3       0.863  13.159  -9.245  1.00  0.00           H   new
ATOM      0  HA  CYS A   3       2.019  14.300  -7.761  1.00  0.00           H   new
ATOM      0  HB2 CYS A   3       3.996  12.027  -7.461  1.00  0.00           H   new
ATOM      0  HB3 CYS A   3       3.363  13.095  -6.224  1.00  0.00           H   new
ATOM     37  N   ASP A   4       3.658  14.749 -10.047  1.00  0.00           N
ATOM     38  CA  ASP A   4       4.712  15.487 -10.757  1.00  0.00           C
ATOM     39  C   ASP A   4       5.951  14.626 -11.010  1.00  0.00           C
ATOM     40  O   ASP A   4       7.047  14.998 -10.601  1.00  0.00           O
ATOM     41  CB  ASP A   4       5.113  16.751  -9.982  1.00  0.00           C
ATOM     42  CG  ASP A   4       4.037  17.818  -9.981  1.00  0.00           C
ATOM     43  OD1 ASP A   4       2.931  17.570  -9.449  1.00  0.00           O
ATOM     44  OD2 ASP A   4       4.292  18.923 -10.510  1.00  0.00           O
ATOM      0  H   ASP A   4       2.783  14.673 -10.566  1.00  0.00           H   new
ATOM      0  HA  ASP A   4       4.296  15.771 -11.724  1.00  0.00           H   new
ATOM      0  HB2 ASP A   4       5.347  16.479  -8.953  1.00  0.00           H   new
ATOM      0  HB3 ASP A   4       6.023  17.163 -10.418  1.00  0.00           H   new
ATOM     49  N   LEU A   5       5.743  13.486 -11.677  1.00  0.00           N
ATOM     50  CA  LEU A   5       6.788  12.504 -12.025  1.00  0.00           C
ATOM     51  C   LEU A   5       8.146  13.101 -12.442  1.00  0.00           C
ATOM     52  O   LEU A   5       8.482  13.148 -13.625  1.00  0.00           O
ATOM     53  CB  LEU A   5       6.280  11.581 -13.148  1.00  0.00           C
ATOM     54  CG  LEU A   5       5.277  12.195 -14.151  1.00  0.00           C
ATOM     55  CD1 LEU A   5       5.842  13.425 -14.850  1.00  0.00           C
ATOM     56  CD2 LEU A   5       4.866  11.162 -15.186  1.00  0.00           C
ATOM      0  H   LEU A   5       4.817  13.208 -12.002  1.00  0.00           H   new
ATOM      0  HA  LEU A   5       6.977  11.956 -11.102  1.00  0.00           H   new
ATOM      0  HB2 LEU A   5       7.143  11.220 -13.708  1.00  0.00           H   new
ATOM      0  HB3 LEU A   5       5.811  10.711 -12.688  1.00  0.00           H   new
ATOM      0  HG  LEU A   5       4.404  12.509 -13.579  1.00  0.00           H   new
ATOM      0 HD11 LEU A   5       5.101  13.821 -15.545  1.00  0.00           H   new
ATOM      0 HD12 LEU A   5       6.086  14.185 -14.108  1.00  0.00           H   new
ATOM      0 HD13 LEU A   5       6.743  13.150 -15.398  1.00  0.00           H   new
ATOM      0 HD21 LEU A   5       4.159  11.609 -15.885  1.00  0.00           H   new
ATOM      0 HD22 LEU A   5       5.747  10.820 -15.729  1.00  0.00           H   new
ATOM      0 HD23 LEU A   5       4.396  10.314 -14.687  1.00  0.00           H   new
ATOM     68  N   ALA A   6       8.936  13.517 -11.463  1.00  0.00           N
ATOM     69  CA  ALA A   6      10.263  14.066 -11.731  1.00  0.00           C
ATOM     70  C   ALA A   6      11.141  12.981 -12.343  1.00  0.00           C
ATOM     71  O   ALA A   6      11.765  13.174 -13.383  1.00  0.00           O
ATOM     72  CB  ALA A   6      10.886  14.610 -10.453  1.00  0.00           C
ATOM      0  H   ALA A   6       8.684  13.486 -10.475  1.00  0.00           H   new
ATOM      0  HA  ALA A   6      10.176  14.894 -12.435  1.00  0.00           H   new
ATOM      0  HB1 ALA A   6      11.874  15.014 -10.673  1.00  0.00           H   new
ATOM      0  HB2 ALA A   6      10.253  15.399 -10.047  1.00  0.00           H   new
ATOM      0  HB3 ALA A   6      10.978  13.806  -9.722  1.00  0.00           H   new
ATOM     78  N   SER A   7      11.130  11.824 -11.703  1.00  0.00           N
ATOM     79  CA  SER A   7      11.863  10.664 -12.174  1.00  0.00           C
ATOM     80  C   SER A   7      10.861   9.711 -12.821  1.00  0.00           C
ATOM     81  O   SER A   7      10.086  10.129 -13.684  1.00  0.00           O
ATOM     82  CB  SER A   7      12.587  10.002 -11.001  1.00  0.00           C
ATOM     83  OG  SER A   7      11.732   9.912  -9.871  1.00  0.00           O
ATOM      0  H   SER A   7      10.611  11.664 -10.840  1.00  0.00           H   new
ATOM      0  HA  SER A   7      12.618  10.947 -12.907  1.00  0.00           H   new
ATOM      0  HB2 SER A   7      12.923   9.006 -11.290  1.00  0.00           H   new
ATOM      0  HB3 SER A   7      13.477  10.577 -10.745  1.00  0.00           H   new
ATOM      0  HG  SER A   7      12.212   9.484  -9.131  1.00  0.00           H   new
ATOM     89  N   LYS A   8      10.818   8.461 -12.369  1.00  0.00           N
ATOM     90  CA  LYS A   8       9.835   7.518 -12.885  1.00  0.00           C
ATOM     91  C   LYS A   8       8.479   7.968 -12.382  1.00  0.00           C
ATOM     92  O   LYS A   8       7.486   7.979 -13.105  1.00  0.00           O
ATOM     93  CB  LYS A   8      10.133   6.094 -12.413  1.00  0.00           C
ATOM     94  CG  LYS A   8      11.425   5.520 -12.971  1.00  0.00           C
ATOM     95  CD  LYS A   8      11.759   4.178 -12.338  1.00  0.00           C
ATOM     96  CE  LYS A   8      10.656   3.154 -12.560  1.00  0.00           C
ATOM     97  NZ  LYS A   8      10.412   2.902 -14.006  1.00  0.00           N
ATOM      0  H   LYS A   8      11.443   8.083 -11.657  1.00  0.00           H   new
ATOM      0  HA  LYS A   8       9.863   7.503 -13.975  1.00  0.00           H   new
ATOM      0  HB2 LYS A   8      10.183   6.085 -11.324  1.00  0.00           H   new
ATOM      0  HB3 LYS A   8       9.305   5.446 -12.699  1.00  0.00           H   new
ATOM      0  HG2 LYS A   8      11.335   5.402 -14.051  1.00  0.00           H   new
ATOM      0  HG3 LYS A   8      12.242   6.220 -12.794  1.00  0.00           H   new
ATOM      0  HD2 LYS A   8      12.693   3.802 -12.756  1.00  0.00           H   new
ATOM      0  HD3 LYS A   8      11.920   4.312 -11.268  1.00  0.00           H   new
ATOM      0  HE2 LYS A   8      10.926   2.219 -12.069  1.00  0.00           H   new
ATOM      0  HE3 LYS A   8       9.736   3.505 -12.093  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   8       9.753   2.105 -14.113  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   8      10.001   3.752 -14.442  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   8      11.311   2.673 -14.475  1.00  0.00           H   new
ATOM    111  N   TRP A   9       8.499   8.393 -11.133  1.00  0.00           N
ATOM    112  CA  TRP A   9       7.347   8.927 -10.442  1.00  0.00           C
ATOM    113  C   TRP A   9       7.839   9.609  -9.179  1.00  0.00           C
ATOM    114  O   TRP A   9       8.399   8.965  -8.289  1.00  0.00           O
ATOM    115  CB  TRP A   9       6.283   7.857 -10.129  1.00  0.00           C
ATOM    116  CG  TRP A   9       6.796   6.450 -10.022  1.00  0.00           C
ATOM    117  CD1 TRP A   9       7.730   5.970  -9.152  1.00  0.00           C
ATOM    118  CD2 TRP A   9       6.393   5.338 -10.831  1.00  0.00           C
ATOM    119  NE1 TRP A   9       7.922   4.626  -9.361  1.00  0.00           N
ATOM    120  CE2 TRP A   9       7.118   4.217 -10.390  1.00  0.00           C
ATOM    121  CE3 TRP A   9       5.488   5.182 -11.883  1.00  0.00           C
ATOM    122  CZ2 TRP A   9       6.965   2.959 -10.964  1.00  0.00           C
ATOM    123  CZ3 TRP A   9       5.339   3.933 -12.454  1.00  0.00           C
ATOM    124  CH2 TRP A   9       6.074   2.835 -11.993  1.00  0.00           C
ATOM      0  H   TRP A   9       9.341   8.375 -10.558  1.00  0.00           H   new
ATOM      0  HA  TRP A   9       6.845   9.643 -11.092  1.00  0.00           H   new
ATOM      0  HB2 TRP A   9       5.793   8.119  -9.191  1.00  0.00           H   new
ATOM      0  HB3 TRP A   9       5.520   7.889 -10.907  1.00  0.00           H   new
ATOM      0  HD1 TRP A   9       8.244   6.560  -8.408  1.00  0.00           H   new
ATOM      0  HE1 TRP A   9       8.560   4.030  -8.835  1.00  0.00           H   new
ATOM      0  HE3 TRP A   9       4.915   6.023 -12.244  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   9       7.530   2.110 -10.609  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   9       4.644   3.802 -13.270  1.00  0.00           H   new
ATOM      0  HH2 TRP A   9       5.934   1.871 -12.459  1.00  0.00           H   new
ATOM    135  N   ASN A  10       7.665  10.923  -9.142  1.00  0.00           N
ATOM    136  CA  ASN A  10       8.111  11.746  -8.017  1.00  0.00           C
ATOM    137  C   ASN A  10       7.559  11.219  -6.700  1.00  0.00           C
ATOM    138  O   ASN A  10       6.445  10.689  -6.664  1.00  0.00           O
ATOM    139  CB  ASN A  10       7.688  13.199  -8.226  1.00  0.00           C
ATOM    140  CG  ASN A  10       8.020  14.093  -7.047  1.00  0.00           C
ATOM    141  OD1 ASN A  10       9.174  14.192  -6.627  1.00  0.00           O
ATOM    142  ND2 ASN A  10       7.008  14.760  -6.517  1.00  0.00           N
ATOM      0  H   ASN A  10       7.212  11.451  -9.888  1.00  0.00           H   new
ATOM      0  HA  ASN A  10       9.199  11.697  -7.971  1.00  0.00           H   new
ATOM      0  HB2 ASN A  10       8.178  13.589  -9.118  1.00  0.00           H   new
ATOM      0  HB3 ASN A  10       6.614  13.235  -8.410  1.00  0.00           H   new
ATOM      0 HD21 ASN A  10       7.168  15.387  -5.728  1.00  0.00           H   new
ATOM      0 HD22 ASN A  10       6.068  14.648  -6.897  1.00  0.00           H   new
ATOM    149  N   TRP A  11       8.357  11.337  -5.631  1.00  0.00           N
ATOM    150  CA  TRP A  11       7.960  10.840  -4.321  1.00  0.00           C
ATOM    151  C   TRP A  11       7.920   9.311  -4.404  1.00  0.00           C
ATOM    152  O   TRP A  11       8.945   8.690  -4.706  1.00  0.00           O
ATOM    153  CB  TRP A  11       6.613  11.478  -3.917  1.00  0.00           C
ATOM    154  CG  TRP A  11       6.003  10.990  -2.635  1.00  0.00           C
ATOM    155  CD1 TRP A  11       6.629  10.719  -1.451  1.00  0.00           C
ATOM    156  CD2 TRP A  11       4.617  10.722  -2.430  1.00  0.00           C
ATOM    157  NE1 TRP A  11       5.705  10.293  -0.523  1.00  0.00           N
ATOM    158  CE2 TRP A  11       4.463  10.289  -1.105  1.00  0.00           C
ATOM    159  CE3 TRP A  11       3.488  10.810  -3.248  1.00  0.00           C
ATOM    160  CZ2 TRP A  11       3.222   9.943  -0.578  1.00  0.00           C
ATOM    161  CZ3 TRP A  11       2.261  10.467  -2.725  1.00  0.00           C
ATOM    162  CH2 TRP A  11       2.136  10.038  -1.400  1.00  0.00           C
ATOM      0  H   TRP A  11       9.279  11.773  -5.654  1.00  0.00           H   new
ATOM      0  HA  TRP A  11       8.667  11.116  -3.539  1.00  0.00           H   new
ATOM      0  HB2 TRP A  11       6.755  12.556  -3.840  1.00  0.00           H   new
ATOM      0  HB3 TRP A  11       5.899  11.307  -4.722  1.00  0.00           H   new
ATOM      0  HD1 TRP A  11       7.689  10.823  -1.270  1.00  0.00           H   new
ATOM      0  HE1 TRP A  11       5.911  10.024   0.439  1.00  0.00           H   new
ATOM      0  HE3 TRP A  11       3.576  11.141  -4.272  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  11       3.122   9.611   0.445  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  11       1.381  10.530  -3.348  1.00  0.00           H   new
ATOM      0  HH2 TRP A  11       1.160   9.776  -1.019  1.00  0.00           H   new
ATOM    173  N   ASN A  12       6.761   8.709  -4.192  1.00  0.00           N
ATOM    174  CA  ASN A  12       6.619   7.264  -4.299  1.00  0.00           C
ATOM    175  C   ASN A  12       7.583   6.524  -3.349  1.00  0.00           C
ATOM    176  O   ASN A  12       7.475   6.632  -2.125  1.00  0.00           O
ATOM    177  CB  ASN A  12       6.825   6.859  -5.768  1.00  0.00           C
ATOM    178  CG  ASN A  12       6.307   5.469  -6.092  1.00  0.00           C
ATOM    179  OD1 ASN A  12       6.815   4.465  -5.599  1.00  0.00           O
ATOM    180  ND2 ASN A  12       5.296   5.408  -6.940  1.00  0.00           N
ATOM      0  H   ASN A  12       5.902   9.199  -3.944  1.00  0.00           H   new
ATOM      0  HA  ASN A  12       5.616   6.972  -3.988  1.00  0.00           H   new
ATOM      0  HB2 ASN A  12       6.324   7.583  -6.410  1.00  0.00           H   new
ATOM      0  HB3 ASN A  12       7.888   6.906  -6.004  1.00  0.00           H   new
ATOM      0 HD21 ASN A  12       4.909   4.503  -7.208  1.00  0.00           H   new
ATOM      0 HD22 ASN A  12       4.903   6.266  -7.327  1.00  0.00           H   new
ATOM    187  N   HIS A  13       8.511   5.763  -3.913  1.00  0.00           N
ATOM    188  CA  HIS A  13       9.480   4.976  -3.149  1.00  0.00           C
ATOM    189  C   HIS A  13      10.402   5.817  -2.270  1.00  0.00           C
ATOM    190  O   HIS A  13      11.294   5.270  -1.626  1.00  0.00           O
ATOM    191  CB  HIS A  13      10.323   4.109  -4.099  1.00  0.00           C
ATOM    192  CG  HIS A  13      10.755   4.836  -5.337  1.00  0.00           C
ATOM    193  ND1 HIS A  13       9.895   5.099  -6.379  1.00  0.00           N
ATOM    194  CD2 HIS A  13      11.924   5.437  -5.657  1.00  0.00           C
ATOM    195  CE1 HIS A  13      10.508   5.841  -7.276  1.00  0.00           C
ATOM    196  NE2 HIS A  13      11.743   6.060  -6.868  1.00  0.00           N
ATOM      0  H   HIS A  13       8.617   5.671  -4.923  1.00  0.00           H   new
ATOM      0  HA  HIS A  13       8.895   4.349  -2.476  1.00  0.00           H   new
ATOM      0  HB2 HIS A  13      11.206   3.753  -3.568  1.00  0.00           H   new
ATOM      0  HB3 HIS A  13       9.747   3.229  -4.385  1.00  0.00           H   new
ATOM      0  HD1 HIS A  13       8.932   4.770  -6.445  1.00  0.00           H   new
ATOM      0  HD2 HIS A  13      12.830   5.429  -5.070  1.00  0.00           H   new
ATOM      0  HE1 HIS A  13      10.073   6.209  -8.193  1.00  0.00           H   new
ATOM    205  N   THR A  14      10.186   7.125  -2.212  1.00  0.00           N
ATOM    206  CA  THR A  14      11.007   7.974  -1.369  1.00  0.00           C
ATOM    207  C   THR A  14      10.845   7.556   0.092  1.00  0.00           C
ATOM    208  O   THR A  14      11.800   7.562   0.869  1.00  0.00           O
ATOM    209  CB  THR A  14      10.654   9.467  -1.534  1.00  0.00           C
ATOM    210  OG1 THR A  14      10.720   9.833  -2.917  1.00  0.00           O
ATOM    211  CG2 THR A  14      11.607  10.348  -0.737  1.00  0.00           C
ATOM      0  H   THR A  14       9.458   7.613  -2.733  1.00  0.00           H   new
ATOM      0  HA  THR A  14      12.045   7.848  -1.678  1.00  0.00           H   new
ATOM      0  HB  THR A  14       9.642   9.617  -1.157  1.00  0.00           H   new
ATOM      0  HG1 THR A  14      10.099   9.277  -3.433  1.00  0.00           H   new
ATOM      0 HG21 THR A  14      11.334  11.395  -0.872  1.00  0.00           H   new
ATOM      0 HG22 THR A  14      11.543  10.090   0.320  1.00  0.00           H   new
ATOM      0 HG23 THR A  14      12.627  10.191  -1.088  1.00  0.00           H   new
ATOM    219  N   LEU A  15       9.625   7.159   0.448  1.00  0.00           N
ATOM    220  CA  LEU A  15       9.332   6.711   1.803  1.00  0.00           C
ATOM    221  C   LEU A  15       7.986   5.989   1.870  1.00  0.00           C
ATOM    222  O   LEU A  15       7.826   5.036   2.631  1.00  0.00           O
ATOM    223  CB  LEU A  15       9.353   7.881   2.803  1.00  0.00           C
ATOM    224  CG  LEU A  15       8.308   8.980   2.578  1.00  0.00           C
ATOM    225  CD1 LEU A  15       7.976   9.665   3.896  1.00  0.00           C
ATOM    226  CD2 LEU A  15       8.803  10.009   1.575  1.00  0.00           C
ATOM      0  H   LEU A  15       8.825   7.139  -0.185  1.00  0.00           H   new
ATOM      0  HA  LEU A  15      10.117   6.009   2.082  1.00  0.00           H   new
ATOM      0  HB2 LEU A  15       9.216   7.477   3.806  1.00  0.00           H   new
ATOM      0  HB3 LEU A  15      10.342   8.338   2.776  1.00  0.00           H   new
ATOM      0  HG  LEU A  15       7.409   8.513   2.176  1.00  0.00           H   new
ATOM      0 HD11 LEU A  15       7.233  10.444   3.724  1.00  0.00           H   new
ATOM      0 HD12 LEU A  15       7.578   8.932   4.597  1.00  0.00           H   new
ATOM      0 HD13 LEU A  15       8.879  10.111   4.312  1.00  0.00           H   new
ATOM      0 HD21 LEU A  15       8.042  10.776   1.435  1.00  0.00           H   new
ATOM      0 HD22 LEU A  15       9.718  10.470   1.948  1.00  0.00           H   new
ATOM      0 HD23 LEU A  15       9.005   9.520   0.622  1.00  0.00           H   new
ATOM    238  N   CYS A  16       7.014   6.452   1.091  1.00  0.00           N
ATOM    239  CA  CYS A  16       5.686   5.847   1.103  1.00  0.00           C
ATOM    240  C   CYS A  16       5.709   4.426   0.534  1.00  0.00           C
ATOM    241  O   CYS A  16       5.208   3.491   1.162  1.00  0.00           O
ATOM    242  CB  CYS A  16       4.687   6.726   0.340  1.00  0.00           C
ATOM    243  SG  CYS A  16       4.734   6.560  -1.473  1.00  0.00           S
ATOM      0  H   CYS A  16       7.118   7.237   0.448  1.00  0.00           H   new
ATOM      0  HA  CYS A  16       5.362   5.777   2.141  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16       3.681   6.488   0.685  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16       4.874   7.768   0.598  1.00  0.00           H   new
ATOM    248  N   ALA A  17       6.295   4.257  -0.648  1.00  0.00           N
ATOM    249  CA  ALA A  17       6.364   2.941  -1.272  1.00  0.00           C
ATOM    250  C   ALA A  17       7.356   2.052  -0.540  1.00  0.00           C
ATOM    251  O   ALA A  17       7.239   0.828  -0.561  1.00  0.00           O
ATOM    252  CB  ALA A  17       6.722   3.050  -2.742  1.00  0.00           C
ATOM      0  H   ALA A  17       6.725   5.008  -1.188  1.00  0.00           H   new
ATOM      0  HA  ALA A  17       5.377   2.484  -1.202  1.00  0.00           H   new
ATOM      0  HB1 ALA A  17       6.766   2.053  -3.181  1.00  0.00           H   new
ATOM      0  HB2 ALA A  17       5.965   3.640  -3.258  1.00  0.00           H   new
ATOM      0  HB3 ALA A  17       7.693   3.535  -2.845  1.00  0.00           H   new
ATOM    258  N   ALA A  18       8.325   2.684   0.121  1.00  0.00           N
ATOM    259  CA  ALA A  18       9.339   1.964   0.884  1.00  0.00           C
ATOM    260  C   ALA A  18       8.681   1.081   1.938  1.00  0.00           C
ATOM    261  O   ALA A  18       9.149  -0.023   2.222  1.00  0.00           O
ATOM    262  CB  ALA A  18      10.310   2.939   1.529  1.00  0.00           C
ATOM      0  H   ALA A  18       8.428   3.699   0.142  1.00  0.00           H   new
ATOM      0  HA  ALA A  18       9.900   1.325   0.202  1.00  0.00           H   new
ATOM      0  HB1 ALA A  18      11.060   2.385   2.094  1.00  0.00           H   new
ATOM      0  HB2 ALA A  18      10.801   3.529   0.755  1.00  0.00           H   new
ATOM      0  HB3 ALA A  18       9.766   3.603   2.201  1.00  0.00           H   new
ATOM    268  N   HIS A  19       7.576   1.573   2.495  1.00  0.00           N
ATOM    269  CA  HIS A  19       6.821   0.832   3.498  1.00  0.00           C
ATOM    270  C   HIS A  19       6.313  -0.473   2.897  1.00  0.00           C
ATOM    271  O   HIS A  19       6.390  -1.534   3.514  1.00  0.00           O
ATOM    272  CB  HIS A  19       5.635   1.666   3.994  1.00  0.00           C
ATOM    273  CG  HIS A  19       4.804   0.975   5.032  1.00  0.00           C
ATOM    274  ND1 HIS A  19       5.225   0.788   6.329  1.00  0.00           N
ATOM    275  CD2 HIS A  19       3.577   0.404   4.951  1.00  0.00           C
ATOM    276  CE1 HIS A  19       4.297   0.136   7.001  1.00  0.00           C
ATOM    277  NE2 HIS A  19       3.287  -0.107   6.188  1.00  0.00           N
ATOM      0  H   HIS A  19       7.184   2.486   2.266  1.00  0.00           H   new
ATOM      0  HA  HIS A  19       7.476   0.614   4.341  1.00  0.00           H   new
ATOM      0  HB2 HIS A  19       6.009   2.604   4.406  1.00  0.00           H   new
ATOM      0  HB3 HIS A  19       5.001   1.921   3.145  1.00  0.00           H   new
ATOM      0  HD2 HIS A  19       2.947   0.360   4.075  1.00  0.00           H   new
ATOM      0  HE1 HIS A  19       4.354  -0.151   8.041  1.00  0.00           H   new
ATOM      0  HE2 HIS A  19       2.428  -0.597   6.440  1.00  0.00           H   new
ATOM    286  N   CYS A  20       5.802  -0.375   1.679  1.00  0.00           N
ATOM    287  CA  CYS A  20       5.283  -1.530   0.970  1.00  0.00           C
ATOM    288  C   CYS A  20       6.411  -2.496   0.633  1.00  0.00           C
ATOM    289  O   CYS A  20       6.270  -3.705   0.805  1.00  0.00           O
ATOM    290  CB  CYS A  20       4.568  -1.085  -0.302  1.00  0.00           C
ATOM    291  SG  CYS A  20       3.202   0.083  -0.006  1.00  0.00           S
ATOM      0  H   CYS A  20       5.736   0.500   1.160  1.00  0.00           H   new
ATOM      0  HA  CYS A  20       4.569  -2.044   1.613  1.00  0.00           H   new
ATOM      0  HB2 CYS A  20       5.292  -0.621  -0.971  1.00  0.00           H   new
ATOM      0  HB3 CYS A  20       4.178  -1.964  -0.815  1.00  0.00           H   new
ATOM    296  N   ILE A  21       7.534  -1.953   0.169  1.00  0.00           N
ATOM    297  CA  ILE A  21       8.697  -2.764  -0.181  1.00  0.00           C
ATOM    298  C   ILE A  21       9.125  -3.617   1.011  1.00  0.00           C
ATOM    299  O   ILE A  21       9.451  -4.797   0.860  1.00  0.00           O
ATOM    300  CB  ILE A  21       9.878  -1.883  -0.645  1.00  0.00           C
ATOM    301  CG1 ILE A  21       9.470  -1.056  -1.869  1.00  0.00           C
ATOM    302  CG2 ILE A  21      11.097  -2.740  -0.965  1.00  0.00           C
ATOM    303  CD1 ILE A  21      10.532  -0.082  -2.330  1.00  0.00           C
ATOM      0  H   ILE A  21       7.663  -0.951   0.026  1.00  0.00           H   new
ATOM      0  HA  ILE A  21       8.412  -3.415  -1.007  1.00  0.00           H   new
ATOM      0  HB  ILE A  21      10.142  -1.204   0.166  1.00  0.00           H   new
ATOM      0 HG12 ILE A  21       9.230  -1.733  -2.689  1.00  0.00           H   new
ATOM      0 HG13 ILE A  21       8.560  -0.503  -1.635  1.00  0.00           H   new
ATOM      0 HG21 ILE A  21      11.917  -2.099  -1.290  1.00  0.00           H   new
ATOM      0 HG22 ILE A  21      11.398  -3.291  -0.074  1.00  0.00           H   new
ATOM      0 HG23 ILE A  21      10.849  -3.443  -1.760  1.00  0.00           H   new
ATOM      0 HD11 ILE A  21      10.170   0.466  -3.200  1.00  0.00           H   new
ATOM      0 HD12 ILE A  21      10.756   0.619  -1.526  1.00  0.00           H   new
ATOM      0 HD13 ILE A  21      11.436  -0.629  -2.597  1.00  0.00           H   new
ATOM    315  N   ALA A  22       9.095  -3.017   2.194  1.00  0.00           N
ATOM    316  CA  ALA A  22       9.455  -3.712   3.423  1.00  0.00           C
ATOM    317  C   ALA A  22       8.493  -4.865   3.694  1.00  0.00           C
ATOM    318  O   ALA A  22       8.897  -5.932   4.157  1.00  0.00           O
ATOM    319  CB  ALA A  22       9.464  -2.742   4.592  1.00  0.00           C
ATOM      0  H   ALA A  22       8.823  -2.043   2.328  1.00  0.00           H   new
ATOM      0  HA  ALA A  22      10.456  -4.126   3.304  1.00  0.00           H   new
ATOM      0  HB1 ALA A  22       9.734  -3.274   5.504  1.00  0.00           H   new
ATOM      0  HB2 ALA A  22      10.191  -1.952   4.404  1.00  0.00           H   new
ATOM      0  HB3 ALA A  22       8.473  -2.303   4.708  1.00  0.00           H   new
ATOM    325  N   ARG A  23       7.216  -4.646   3.390  1.00  0.00           N
ATOM    326  CA  ARG A  23       6.186  -5.665   3.590  1.00  0.00           C
ATOM    327  C   ARG A  23       6.161  -6.669   2.437  1.00  0.00           C
ATOM    328  O   ARG A  23       5.184  -7.400   2.262  1.00  0.00           O
ATOM    329  CB  ARG A  23       4.809  -5.011   3.746  1.00  0.00           C
ATOM    330  CG  ARG A  23       4.659  -4.206   5.026  1.00  0.00           C
ATOM    331  CD  ARG A  23       4.917  -5.070   6.248  1.00  0.00           C
ATOM    332  NE  ARG A  23       4.878  -4.303   7.489  1.00  0.00           N
ATOM    333  CZ  ARG A  23       5.297  -4.768   8.664  1.00  0.00           C
ATOM    334  NH1 ARG A  23       5.762  -6.008   8.764  1.00  0.00           N
ATOM    335  NH2 ARG A  23       5.244  -3.993   9.739  1.00  0.00           N
ATOM      0  H   ARG A  23       6.868  -3.769   3.003  1.00  0.00           H   new
ATOM      0  HA  ARG A  23       6.430  -6.206   4.504  1.00  0.00           H   new
ATOM      0  HB2 ARG A  23       4.628  -4.358   2.893  1.00  0.00           H   new
ATOM      0  HB3 ARG A  23       4.043  -5.786   3.722  1.00  0.00           H   new
ATOM      0  HG2 ARG A  23       5.355  -3.368   5.016  1.00  0.00           H   new
ATOM      0  HG3 ARG A  23       3.655  -3.786   5.079  1.00  0.00           H   new
ATOM      0  HD2 ARG A  23       4.172  -5.865   6.292  1.00  0.00           H   new
ATOM      0  HD3 ARG A  23       5.891  -5.550   6.151  1.00  0.00           H   new
ATOM      0  HE  ARG A  23       4.507  -3.353   7.454  1.00  0.00           H   new
ATOM      0 HH11 ARG A  23       5.799  -6.607   7.939  1.00  0.00           H   new
ATOM      0 HH12 ARG A  23       6.082  -6.361   9.666  1.00  0.00           H   new
ATOM      0 HH21 ARG A  23       4.883  -3.042   9.665  1.00  0.00           H   new
ATOM      0 HH22 ARG A  23       5.565  -4.348  10.640  1.00  0.00           H   new
ATOM    349  N   ARG A  24       7.252  -6.705   1.672  1.00  0.00           N
ATOM    350  CA  ARG A  24       7.404  -7.617   0.536  1.00  0.00           C
ATOM    351  C   ARG A  24       6.486  -7.256  -0.631  1.00  0.00           C
ATOM    352  O   ARG A  24       5.863  -8.125  -1.243  1.00  0.00           O
ATOM    353  CB  ARG A  24       7.180  -9.070   0.963  1.00  0.00           C
ATOM    354  CG  ARG A  24       8.283  -9.610   1.850  1.00  0.00           C
ATOM    355  CD  ARG A  24       8.079 -11.083   2.163  1.00  0.00           C
ATOM    356  NE  ARG A  24       9.299 -11.695   2.682  1.00  0.00           N
ATOM    357  CZ  ARG A  24      10.407 -11.875   1.958  1.00  0.00           C
ATOM    358  NH1 ARG A  24      10.410 -11.606   0.654  1.00  0.00           N
ATOM    359  NH2 ARG A  24      11.506 -12.347   2.533  1.00  0.00           N
ATOM      0  H   ARG A  24       8.059  -6.100   1.823  1.00  0.00           H   new
ATOM      0  HA  ARG A  24       8.430  -7.508   0.185  1.00  0.00           H   new
ATOM      0  HB2 ARG A  24       6.229  -9.144   1.491  1.00  0.00           H   new
ATOM      0  HB3 ARG A  24       7.100  -9.695   0.073  1.00  0.00           H   new
ATOM      0  HG2 ARG A  24       9.246  -9.472   1.359  1.00  0.00           H   new
ATOM      0  HG3 ARG A  24       8.315  -9.041   2.779  1.00  0.00           H   new
ATOM      0  HD2 ARG A  24       7.277 -11.193   2.893  1.00  0.00           H   new
ATOM      0  HD3 ARG A  24       7.763 -11.607   1.261  1.00  0.00           H   new
ATOM      0  HE  ARG A  24       9.305 -12.003   3.654  1.00  0.00           H   new
ATOM      0 HH11 ARG A  24       9.563 -11.260   0.203  1.00  0.00           H   new
ATOM      0 HH12 ARG A  24      11.259 -11.745   0.106  1.00  0.00           H   new
ATOM      0 HH21 ARG A  24      11.505 -12.572   3.528  1.00  0.00           H   new
ATOM      0 HH22 ARG A  24      12.352 -12.484   1.980  1.00  0.00           H   new
ATOM    373  N   TYR A  25       6.441  -5.975  -0.957  1.00  0.00           N
ATOM    374  CA  TYR A  25       5.645  -5.491  -2.076  1.00  0.00           C
ATOM    375  C   TYR A  25       6.557  -4.775  -3.059  1.00  0.00           C
ATOM    376  O   TYR A  25       7.615  -4.280  -2.671  1.00  0.00           O
ATOM    377  CB  TYR A  25       4.537  -4.526  -1.627  1.00  0.00           C
ATOM    378  CG  TYR A  25       3.373  -5.176  -0.911  1.00  0.00           C
ATOM    379  CD1 TYR A  25       3.507  -5.666   0.380  1.00  0.00           C
ATOM    380  CD2 TYR A  25       2.133  -5.281  -1.526  1.00  0.00           C
ATOM    381  CE1 TYR A  25       2.439  -6.249   1.037  1.00  0.00           C
ATOM    382  CE2 TYR A  25       1.060  -5.860  -0.875  1.00  0.00           C
ATOM    383  CZ  TYR A  25       1.220  -6.342   0.406  1.00  0.00           C
ATOM    384  OH  TYR A  25       0.154  -6.923   1.056  1.00  0.00           O
ATOM      0  H   TYR A  25       6.950  -5.245  -0.459  1.00  0.00           H   new
ATOM      0  HA  TYR A  25       5.167  -6.353  -2.541  1.00  0.00           H   new
ATOM      0  HB2 TYR A  25       4.975  -3.775  -0.969  1.00  0.00           H   new
ATOM      0  HB3 TYR A  25       4.157  -4.000  -2.503  1.00  0.00           H   new
ATOM      0  HD1 TYR A  25       4.461  -5.591   0.880  1.00  0.00           H   new
ATOM      0  HD2 TYR A  25       2.005  -4.904  -2.530  1.00  0.00           H   new
ATOM      0  HE1 TYR A  25       2.561  -6.629   2.040  1.00  0.00           H   new
ATOM      0  HE2 TYR A  25       0.102  -5.934  -1.367  1.00  0.00           H   new
ATOM      0  HH  TYR A  25      -0.633  -6.908   0.472  1.00  0.00           H   new
ATOM    394  N   ARG A  26       6.140  -4.709  -4.320  1.00  0.00           N
ATOM    395  CA  ARG A  26       6.916  -4.026  -5.353  1.00  0.00           C
ATOM    396  C   ARG A  26       7.132  -2.576  -4.952  1.00  0.00           C
ATOM    397  O   ARG A  26       8.208  -2.002  -5.133  1.00  0.00           O
ATOM    398  CB  ARG A  26       6.179  -4.087  -6.696  1.00  0.00           C
ATOM    399  CG  ARG A  26       6.683  -3.088  -7.730  1.00  0.00           C
ATOM    400  CD  ARG A  26       5.547  -2.589  -8.615  1.00  0.00           C
ATOM    401  NE  ARG A  26       4.922  -3.671  -9.375  1.00  0.00           N
ATOM    402  CZ  ARG A  26       5.459  -4.237 -10.455  1.00  0.00           C
ATOM    403  NH1 ARG A  26       6.587  -3.768 -10.974  1.00  0.00           N
ATOM    404  NH2 ARG A  26       4.853  -5.263 -11.033  1.00  0.00           N
ATOM      0  H   ARG A  26       5.268  -5.120  -4.653  1.00  0.00           H   new
ATOM      0  HA  ARG A  26       7.881  -4.522  -5.458  1.00  0.00           H   new
ATOM      0  HB2 ARG A  26       6.273  -5.094  -7.104  1.00  0.00           H   new
ATOM      0  HB3 ARG A  26       5.117  -3.910  -6.524  1.00  0.00           H   new
ATOM      0  HG2 ARG A  26       7.152  -2.243  -7.225  1.00  0.00           H   new
ATOM      0  HG3 ARG A  26       7.450  -3.556  -8.348  1.00  0.00           H   new
ATOM      0  HD2 ARG A  26       4.794  -2.100  -7.996  1.00  0.00           H   new
ATOM      0  HD3 ARG A  26       5.930  -1.837  -9.305  1.00  0.00           H   new
ATOM      0  HE  ARG A  26       4.016  -4.015  -9.057  1.00  0.00           H   new
ATOM      0 HH11 ARG A  26       7.051  -2.967 -10.546  1.00  0.00           H   new
ATOM      0 HH12 ARG A  26       6.990  -4.209 -11.801  1.00  0.00           H   new
ATOM      0 HH21 ARG A  26       3.977  -5.619 -10.651  1.00  0.00           H   new
ATOM      0 HH22 ARG A  26       5.263  -5.697 -11.860  1.00  0.00           H   new
ATOM    418  N   GLY A  27       6.084  -2.004  -4.409  1.00  0.00           N
ATOM    419  CA  GLY A  27       6.106  -0.638  -3.972  1.00  0.00           C
ATOM    420  C   GLY A  27       4.701  -0.131  -3.847  1.00  0.00           C
ATOM    421  O   GLY A  27       3.843  -0.816  -3.289  1.00  0.00           O
ATOM      0  H   GLY A  27       5.193  -2.478  -4.260  1.00  0.00           H   new
ATOM      0  HA2 GLY A  27       6.619  -0.560  -3.013  1.00  0.00           H   new
ATOM      0  HA3 GLY A  27       6.663  -0.027  -4.682  1.00  0.00           H   new
ATOM    425  N   GLY A  28       4.447   1.035  -4.388  1.00  0.00           N
ATOM    426  CA  GLY A  28       3.121   1.585  -4.336  1.00  0.00           C
ATOM    427  C   GLY A  28       2.983   2.781  -5.235  1.00  0.00           C
ATOM    428  O   GLY A  28       3.809   3.688  -5.192  1.00  0.00           O
ATOM      0  H   GLY A  28       5.137   1.615  -4.865  1.00  0.00           H   new
ATOM      0  HA2 GLY A  28       2.399   0.823  -4.629  1.00  0.00           H   new
ATOM      0  HA3 GLY A  28       2.885   1.870  -3.311  1.00  0.00           H   new
ATOM    432  N   TYR A  29       1.944   2.783  -6.052  1.00  0.00           N
ATOM    433  CA  TYR A  29       1.703   3.888  -6.961  1.00  0.00           C
ATOM    434  C   TYR A  29       1.258   5.108  -6.162  1.00  0.00           C
ATOM    435  O   TYR A  29       0.510   4.980  -5.191  1.00  0.00           O
ATOM    436  CB  TYR A  29       0.659   3.500  -8.021  1.00  0.00           C
ATOM    437  CG  TYR A  29      -0.691   3.068  -7.474  1.00  0.00           C
ATOM    438  CD1 TYR A  29      -1.618   4.001  -7.030  1.00  0.00           C
ATOM    439  CD2 TYR A  29      -1.045   1.725  -7.428  1.00  0.00           C
ATOM    440  CE1 TYR A  29      -2.852   3.610  -6.549  1.00  0.00           C
ATOM    441  CE2 TYR A  29      -2.279   1.327  -6.952  1.00  0.00           C
ATOM    442  CZ  TYR A  29      -3.178   2.273  -6.512  1.00  0.00           C
ATOM    443  OH  TYR A  29      -4.411   1.883  -6.037  1.00  0.00           O
ATOM      0  H   TYR A  29       1.255   2.033  -6.104  1.00  0.00           H   new
ATOM      0  HA  TYR A  29       2.625   4.133  -7.489  1.00  0.00           H   new
ATOM      0  HB2 TYR A  29       0.508   4.350  -8.687  1.00  0.00           H   new
ATOM      0  HB3 TYR A  29       1.064   2.689  -8.626  1.00  0.00           H   new
ATOM      0  HD1 TYR A  29      -1.370   5.052  -7.061  1.00  0.00           H   new
ATOM      0  HD2 TYR A  29      -0.343   0.979  -7.770  1.00  0.00           H   new
ATOM      0  HE1 TYR A  29      -3.558   4.350  -6.203  1.00  0.00           H   new
ATOM      0  HE2 TYR A  29      -2.538   0.279  -6.925  1.00  0.00           H   new
ATOM      0  HH  TYR A  29      -4.484   0.907  -6.079  1.00  0.00           H   new
ATOM    453  N   CYS A  30       1.728   6.282  -6.546  1.00  0.00           N
ATOM    454  CA  CYS A  30       1.365   7.492  -5.834  1.00  0.00           C
ATOM    455  C   CYS A  30       0.113   8.108  -6.452  1.00  0.00           C
ATOM    456  O   CYS A  30       0.018   8.285  -7.669  1.00  0.00           O
ATOM    457  CB  CYS A  30       2.526   8.495  -5.830  1.00  0.00           C
ATOM    458  SG  CYS A  30       2.635   9.537  -7.317  1.00  0.00           S
ATOM      0  H   CYS A  30       2.355   6.422  -7.338  1.00  0.00           H   new
ATOM      0  HA  CYS A  30       1.148   7.233  -4.798  1.00  0.00           H   new
ATOM      0  HB2 CYS A  30       2.428   9.140  -4.957  1.00  0.00           H   new
ATOM      0  HB3 CYS A  30       3.461   7.947  -5.718  1.00  0.00           H   new
ATOM    463  N   ASN A  31      -0.844   8.418  -5.605  1.00  0.00           N
ATOM    464  CA  ASN A  31      -2.096   9.017  -6.026  1.00  0.00           C
ATOM    465  C   ASN A  31      -1.924  10.520  -6.106  1.00  0.00           C
ATOM    466  O   ASN A  31      -1.136  11.091  -5.352  1.00  0.00           O
ATOM    467  CB  ASN A  31      -3.220   8.686  -5.036  1.00  0.00           C
ATOM    468  CG  ASN A  31      -3.657   7.235  -5.085  1.00  0.00           C
ATOM    469  OD1 ASN A  31      -2.845   6.322  -4.966  1.00  0.00           O
ATOM    470  ND2 ASN A  31      -4.951   7.017  -5.239  1.00  0.00           N
ATOM      0  H   ASN A  31      -0.777   8.262  -4.599  1.00  0.00           H   new
ATOM      0  HA  ASN A  31      -2.366   8.615  -7.003  1.00  0.00           H   new
ATOM      0  HB2 ASN A  31      -2.886   8.923  -4.026  1.00  0.00           H   new
ATOM      0  HB3 ASN A  31      -4.079   9.324  -5.246  1.00  0.00           H   new
ATOM      0 HD21 ASN A  31      -5.308   6.062  -5.262  1.00  0.00           H   new
ATOM      0 HD22 ASN A  31      -5.593   7.804  -5.334  1.00  0.00           H   new
ATOM    477  N   SER A  32      -2.656  11.156  -7.007  1.00  0.00           N
ATOM    478  CA  SER A  32      -2.580  12.602  -7.174  1.00  0.00           C
ATOM    479  C   SER A  32      -2.877  13.313  -5.848  1.00  0.00           C
ATOM    480  O   SER A  32      -2.382  14.410  -5.593  1.00  0.00           O
ATOM    481  CB  SER A  32      -3.562  13.058  -8.259  1.00  0.00           C
ATOM    482  OG  SER A  32      -3.312  14.398  -8.652  1.00  0.00           O
ATOM      0  H   SER A  32      -3.312  10.694  -7.636  1.00  0.00           H   new
ATOM      0  HA  SER A  32      -1.569  12.865  -7.484  1.00  0.00           H   new
ATOM      0  HB2 SER A  32      -3.480  12.402  -9.125  1.00  0.00           H   new
ATOM      0  HB3 SER A  32      -4.583  12.970  -7.888  1.00  0.00           H   new
ATOM      0  HG  SER A  32      -3.953  14.660  -9.346  1.00  0.00           H   new
ATOM    488  N   LYS A  33      -3.681  12.670  -5.004  1.00  0.00           N
ATOM    489  CA  LYS A  33      -4.045  13.228  -3.704  1.00  0.00           C
ATOM    490  C   LYS A  33      -2.999  12.896  -2.632  1.00  0.00           C
ATOM    491  O   LYS A  33      -3.296  12.958  -1.437  1.00  0.00           O
ATOM    492  CB  LYS A  33      -5.419  12.708  -3.257  1.00  0.00           C
ATOM    493  CG  LYS A  33      -6.600  13.306  -4.013  1.00  0.00           C
ATOM    494  CD  LYS A  33      -6.654  12.842  -5.460  1.00  0.00           C
ATOM    495  CE  LYS A  33      -7.855  13.418  -6.187  1.00  0.00           C
ATOM    496  NZ  LYS A  33      -7.869  13.040  -7.623  1.00  0.00           N
ATOM      0  H   LYS A  33      -4.094  11.758  -5.199  1.00  0.00           H   new
ATOM      0  HA  LYS A  33      -4.087  14.311  -3.819  1.00  0.00           H   new
ATOM      0  HB2 LYS A  33      -5.439  11.625  -3.376  1.00  0.00           H   new
ATOM      0  HB3 LYS A  33      -5.543  12.914  -2.194  1.00  0.00           H   new
ATOM      0  HG2 LYS A  33      -7.527  13.030  -3.511  1.00  0.00           H   new
ATOM      0  HG3 LYS A  33      -6.533  14.394  -3.985  1.00  0.00           H   new
ATOM      0  HD2 LYS A  33      -5.740  13.141  -5.973  1.00  0.00           H   new
ATOM      0  HD3 LYS A  33      -6.696  11.753  -5.492  1.00  0.00           H   new
ATOM      0  HE2 LYS A  33      -8.770  13.067  -5.711  1.00  0.00           H   new
ATOM      0  HE3 LYS A  33      -7.846  14.504  -6.098  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  33      -8.705  13.454  -8.083  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  33      -7.008  13.397  -8.084  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  33      -7.904  12.004  -7.709  1.00  0.00           H   new
ATOM    510  N   ALA A  34      -1.783  12.555  -3.067  1.00  0.00           N
ATOM    511  CA  ALA A  34      -0.682  12.220  -2.160  1.00  0.00           C
ATOM    512  C   ALA A  34      -0.985  10.967  -1.335  1.00  0.00           C
ATOM    513  O   ALA A  34      -0.911  10.979  -0.103  1.00  0.00           O
ATOM    514  CB  ALA A  34      -0.345  13.399  -1.254  1.00  0.00           C
ATOM      0  H   ALA A  34      -1.534  12.503  -4.055  1.00  0.00           H   new
ATOM      0  HA  ALA A  34       0.190  12.001  -2.776  1.00  0.00           H   new
ATOM      0  HB1 ALA A  34       0.475  13.125  -0.590  1.00  0.00           H   new
ATOM      0  HB2 ALA A  34      -0.049  14.253  -1.863  1.00  0.00           H   new
ATOM      0  HB3 ALA A  34      -1.220  13.663  -0.660  1.00  0.00           H   new
ATOM    520  N   VAL A  35      -1.312   9.882  -2.028  1.00  0.00           N
ATOM    521  CA  VAL A  35      -1.616   8.602  -1.387  1.00  0.00           C
ATOM    522  C   VAL A  35      -0.781   7.498  -2.024  1.00  0.00           C
ATOM    523  O   VAL A  35      -0.532   7.535  -3.218  1.00  0.00           O
ATOM    524  CB  VAL A  35      -3.112   8.232  -1.533  1.00  0.00           C
ATOM    525  CG1 VAL A  35      -3.451   6.998  -0.707  1.00  0.00           C
ATOM    526  CG2 VAL A  35      -3.999   9.397  -1.138  1.00  0.00           C
ATOM      0  H   VAL A  35      -1.374   9.862  -3.046  1.00  0.00           H   new
ATOM      0  HA  VAL A  35      -1.381   8.701  -0.327  1.00  0.00           H   new
ATOM      0  HB  VAL A  35      -3.298   8.002  -2.582  1.00  0.00           H   new
ATOM      0 HG11 VAL A  35      -4.508   6.759  -0.827  1.00  0.00           H   new
ATOM      0 HG12 VAL A  35      -2.848   6.156  -1.046  1.00  0.00           H   new
ATOM      0 HG13 VAL A  35      -3.240   7.195   0.344  1.00  0.00           H   new
ATOM      0 HG21 VAL A  35      -5.045   9.112  -1.249  1.00  0.00           H   new
ATOM      0 HG22 VAL A  35      -3.805   9.667  -0.100  1.00  0.00           H   new
ATOM      0 HG23 VAL A  35      -3.785  10.251  -1.781  1.00  0.00           H   new
ATOM    536  N   CYS A  36      -0.340   6.527  -1.246  1.00  0.00           N
ATOM    537  CA  CYS A  36       0.458   5.446  -1.791  1.00  0.00           C
ATOM    538  C   CYS A  36      -0.123   4.089  -1.432  1.00  0.00           C
ATOM    539  O   CYS A  36      -0.098   3.670  -0.273  1.00  0.00           O
ATOM    540  CB  CYS A  36       1.892   5.548  -1.296  1.00  0.00           C
ATOM    541  SG  CYS A  36       2.825   6.919  -2.042  1.00  0.00           S
ATOM      0  H   CYS A  36      -0.519   6.465  -0.244  1.00  0.00           H   new
ATOM      0  HA  CYS A  36       0.446   5.539  -2.877  1.00  0.00           H   new
ATOM      0  HB2 CYS A  36       1.886   5.671  -0.213  1.00  0.00           H   new
ATOM      0  HB3 CYS A  36       2.408   4.611  -1.507  1.00  0.00           H   new
ATOM    546  N   VAL A  37      -0.637   3.406  -2.441  1.00  0.00           N
ATOM    547  CA  VAL A  37      -1.217   2.086  -2.260  1.00  0.00           C
ATOM    548  C   VAL A  37      -0.212   1.014  -2.669  1.00  0.00           C
ATOM    549  O   VAL A  37       0.324   1.053  -3.778  1.00  0.00           O
ATOM    550  CB  VAL A  37      -2.513   1.922  -3.083  1.00  0.00           C
ATOM    551  CG1 VAL A  37      -3.123   0.543  -2.877  1.00  0.00           C
ATOM    552  CG2 VAL A  37      -3.512   3.010  -2.722  1.00  0.00           C
ATOM      0  H   VAL A  37      -0.664   3.748  -3.402  1.00  0.00           H   new
ATOM      0  HA  VAL A  37      -1.466   1.973  -1.205  1.00  0.00           H   new
ATOM      0  HB  VAL A  37      -2.259   2.020  -4.138  1.00  0.00           H   new
ATOM      0 HG11 VAL A  37      -4.034   0.456  -3.469  1.00  0.00           H   new
ATOM      0 HG12 VAL A  37      -2.412  -0.220  -3.192  1.00  0.00           H   new
ATOM      0 HG13 VAL A  37      -3.361   0.404  -1.822  1.00  0.00           H   new
ATOM      0 HG21 VAL A  37      -4.420   2.880  -3.311  1.00  0.00           H   new
ATOM      0 HG22 VAL A  37      -3.755   2.944  -1.661  1.00  0.00           H   new
ATOM      0 HG23 VAL A  37      -3.078   3.987  -2.935  1.00  0.00           H   new
ATOM    562  N   CYS A  38       0.035   0.067  -1.772  1.00  0.00           N
ATOM    563  CA  CYS A  38       0.974  -1.022  -2.020  1.00  0.00           C
ATOM    564  C   CYS A  38       0.569  -1.832  -3.238  1.00  0.00           C
ATOM    565  O   CYS A  38      -0.610  -2.136  -3.434  1.00  0.00           O
ATOM    566  CB  CYS A  38       1.067  -1.928  -0.789  1.00  0.00           C
ATOM    567  SG  CYS A  38       1.713  -1.100   0.701  1.00  0.00           S
ATOM      0  H   CYS A  38      -0.408   0.032  -0.854  1.00  0.00           H   new
ATOM      0  HA  CYS A  38       1.953  -0.585  -2.217  1.00  0.00           H   new
ATOM      0  HB2 CYS A  38       0.076  -2.326  -0.569  1.00  0.00           H   new
ATOM      0  HB3 CYS A  38       1.707  -2.778  -1.025  1.00  0.00           H   new
ATOM    572  N   ARG A  39       1.548  -2.177  -4.063  1.00  0.00           N
ATOM    573  CA  ARG A  39       1.280  -2.945  -5.258  1.00  0.00           C
ATOM    574  C   ARG A  39       2.436  -3.877  -5.560  1.00  0.00           C
ATOM    575  O   ARG A  39       3.599  -3.525  -5.366  1.00  0.00           O
ATOM    576  CB  ARG A  39       1.037  -2.028  -6.462  1.00  0.00           C
ATOM    577  CG  ARG A  39       2.277  -1.273  -6.917  1.00  0.00           C
ATOM    578  CD  ARG A  39       2.096  -0.685  -8.306  1.00  0.00           C
ATOM    579  NE  ARG A  39       1.668  -1.694  -9.276  1.00  0.00           N
ATOM    580  CZ  ARG A  39       1.615  -1.489 -10.591  1.00  0.00           C
ATOM    581  NH1 ARG A  39       2.023  -0.336 -11.103  1.00  0.00           N
ATOM    582  NH2 ARG A  39       1.172  -2.448 -11.392  1.00  0.00           N
ATOM      0  H   ARG A  39       2.529  -1.936  -3.923  1.00  0.00           H   new
ATOM      0  HA  ARG A  39       0.379  -3.532  -5.078  1.00  0.00           H   new
ATOM      0  HB2 ARG A  39       0.661  -2.626  -7.293  1.00  0.00           H   new
ATOM      0  HB3 ARG A  39       0.258  -1.309  -6.208  1.00  0.00           H   new
ATOM      0  HG2 ARG A  39       2.497  -0.474  -6.209  1.00  0.00           H   new
ATOM      0  HG3 ARG A  39       3.134  -1.946  -6.915  1.00  0.00           H   new
ATOM      0  HD2 ARG A  39       1.359   0.117  -8.267  1.00  0.00           H   new
ATOM      0  HD3 ARG A  39       3.034  -0.239  -8.636  1.00  0.00           H   new
ATOM      0  HE  ARG A  39       1.393  -2.611  -8.923  1.00  0.00           H   new
ATOM      0 HH11 ARG A  39       2.379   0.397 -10.489  1.00  0.00           H   new
ATOM      0 HH12 ARG A  39       1.981  -0.182 -12.110  1.00  0.00           H   new
ATOM      0 HH21 ARG A  39       0.872  -3.341 -11.001  1.00  0.00           H   new
ATOM      0 HH22 ARG A  39       1.131  -2.293 -12.399  1.00  0.00           H   new
ATOM    596  N   ASN A  40       2.101  -5.058  -6.033  1.00  0.00           N
ATOM    597  CA  ASN A  40       3.092  -6.062  -6.394  1.00  0.00           C
ATOM    598  C   ASN A  40       3.213  -6.155  -7.906  1.00  0.00           C
ATOM    599  O   ASN A  40       2.847  -5.175  -8.585  1.00  0.00           O
ATOM    600  CB  ASN A  40       2.727  -7.429  -5.823  1.00  0.00           C
ATOM    601  CG  ASN A  40       3.080  -7.562  -4.361  1.00  0.00           C
ATOM    602  OD1 ASN A  40       4.223  -7.338  -3.964  1.00  0.00           O
ATOM    603  ND2 ASN A  40       2.107  -7.937  -3.551  1.00  0.00           N
ATOM    604  OXT ASN A  40       3.663  -7.206  -8.415  1.00  0.00           O
ATOM      0  H   ASN A  40       1.136  -5.354  -6.180  1.00  0.00           H   new
ATOM      0  HA  ASN A  40       4.049  -5.757  -5.970  1.00  0.00           H   new
ATOM      0  HB2 ASN A  40       1.658  -7.598  -5.951  1.00  0.00           H   new
ATOM      0  HB3 ASN A  40       3.243  -8.204  -6.389  1.00  0.00           H   new
ATOM      0 HD21 ASN A  40       2.289  -8.051  -2.554  1.00  0.00           H   new
ATOM      0 HD22 ASN A  40       1.173  -8.112  -3.922  1.00  0.00           H   new