USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17
USER  MOD reduce.3.24.130724 removed 586 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   7 THR OG1 :   rot  112:sc=    0.21
USER  MOD Set 1.2: A   9 THR OG1 :   rot  180:sc= 0.00114
USER  MOD Single : A   1 MET CE  :methyl -176:sc=       0   (180deg=-0.0657)
USER  MOD Single : A   1 MET N   :NH3+    155:sc=    1.14   (180deg=0.466)
USER  MOD Single : A   2 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 LYS NZ  :NH3+   -173:sc= -0.0972!  (180deg=-0.493!)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot  -77:sc=   0.368
USER  MOD Single : A  20 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  25 ASN     :      amide:sc=    1.22  K(o=1.2,f=-0.51)
USER  MOD Single : A  27 LYS NZ  :NH3+    168:sc=     1.3   (180deg=1.27)
USER  MOD Single : A  29 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  31 GLN     :      amide:sc=  -0.806  K(o=-0.81,f=-4.2!)
USER  MOD Single : A  33 LYS NZ  :NH3+   -178:sc= -0.0435   (180deg=-0.0644)
USER  MOD Single : A  40 GLN     :      amide:sc=  -0.132  X(o=-0.13,f=-0.093)
USER  MOD Single : A  41 GLN     :      amide:sc=  -0.444  K(o=-0.44,f=-3.3!)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc=  -0.735  X(o=-0.73,f=-0.34)
USER  MOD Single : A  55 THR OG1 :   rot  -80:sc=    1.09
USER  MOD Single : A  57 SER OG  :   rot   73:sc=    1.27
USER  MOD Single : A  59 TYR OH  :   rot   30:sc=   0.299
USER  MOD Single : A  60 ASN     :      amide:sc=  -0.288  X(o=-0.29,f=-0.0071)
USER  MOD Single : A  62 GLN     :      amide:sc=       0  X(o=0,f=-0.035)
USER  MOD Single : A  63 LYS NZ  :NH3+    171:sc=       0   (180deg=-0.0658)
USER  MOD Single : A  65 SER OG  :   rot   92:sc=   0.856
USER  MOD Single : A  66 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  68 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -12.640   6.265  -1.884  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.442   6.789  -0.514  1.00 10.38           C
ATOM      3  C   MET A   1     -10.982   6.951  -0.264  1.00  9.62           C
ATOM      4  O   MET A   1     -10.155   6.569  -1.090  1.00  9.62           O
ATOM      5  CB  MET A   1     -13.120   5.834   0.483  1.00 13.77           C
ATOM      6  CG  MET A   1     -12.518   4.429   0.417  1.00 16.29           C
ATOM      7  SD  MET A   1     -13.397   3.201   1.429  1.00 17.17           S
ATOM      8  CE  MET A   1     -11.975   2.076   1.330  1.00 16.11           C
ATOM      0  H1  MET A   1     -13.548   5.761  -1.935  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -12.644   7.055  -2.561  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -11.867   5.611  -2.121  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -12.901   7.770  -0.390  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -13.015   6.228   1.494  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -14.188   5.783   0.270  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -12.514   4.095  -0.620  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -11.478   4.475   0.741  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -12.221   1.135   1.822  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -11.733   1.887   0.284  1.00 16.11           H   new
ATOM      0  HE3 MET A   1     -11.116   2.530   1.824  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -10.492   7.565   0.827  1.00  9.27           N
ATOM     21  CA  GLN A   2      -9.081   7.744   0.969  1.00  9.07           C
ATOM     22  C   GLN A   2      -8.493   6.772   1.933  1.00  8.72           C
ATOM     23  O   GLN A   2      -9.059   6.376   2.951  1.00  8.22           O
ATOM     24  CB  GLN A   2      -8.768   9.149   1.509  1.00 14.46           C
ATOM     25  CG  GLN A   2      -9.410  10.340   0.796  1.00 17.01           C
ATOM     26  CD  GLN A   2      -8.969  11.686   1.355  1.00 20.10           C
ATOM     27  OE1 GLN A   2      -9.274  12.078   2.480  1.00 21.89           O
ATOM     28  NE2 GLN A   2      -8.328  12.513   0.486  1.00 19.49           N
ATOM      0  H   GLN A   2     -11.057   7.930   1.594  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -8.652   7.594  -0.022  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2      -9.070   9.182   2.556  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2      -7.687   9.285   1.484  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2      -9.162  10.296  -0.265  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2     -10.494  10.260   0.874  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2      -8.079  12.180  -0.445  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2      -8.097  13.466   0.766  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -7.265   6.422   1.511  1.00  5.87           N
ATOM     38  CA  ILE A   3      -6.322   5.761   2.359  1.00  5.07           C
ATOM     39  C   ILE A   3      -5.025   6.487   2.255  1.00  4.01           C
ATOM     40  O   ILE A   3      -4.785   7.230   1.305  1.00  4.61           O
ATOM     41  CB  ILE A   3      -6.239   4.306   2.001  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -5.759   4.099   0.554  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -7.581   3.634   2.336  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -5.156   2.709   0.353  1.00 10.83           C
ATOM      0  H   ILE A   3      -6.921   6.600   0.567  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -6.631   5.784   3.404  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -5.475   3.812   2.601  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -6.596   4.235  -0.130  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -5.017   4.857   0.305  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -7.532   2.576   2.080  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -7.785   3.740   3.401  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -8.378   4.109   1.765  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -4.829   2.600  -0.681  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -4.302   2.583   1.019  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -5.906   1.951   0.577  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -4.218   6.215   3.296  1.00  4.55           N
ATOM     57  CA  PHE A   4      -3.065   7.032   3.517  1.00  4.68           C
ATOM     58  C   PHE A   4      -1.911   6.091   3.561  1.00  5.30           C
ATOM     59  O   PHE A   4      -1.776   5.347   4.531  1.00  5.58           O
ATOM     60  CB  PHE A   4      -3.074   7.770   4.866  1.00  4.83           C
ATOM     61  CG  PHE A   4      -4.105   8.824   4.655  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -3.723  10.043   4.146  1.00  6.69           C
ATOM     63  CD2 PHE A   4      -5.418   8.531   4.942  1.00  8.34           C
ATOM     64  CE1 PHE A   4      -4.666  10.988   3.817  1.00  9.10           C
ATOM     65  CE2 PHE A   4      -6.343   9.482   4.582  1.00 10.61           C
ATOM     66  CZ  PHE A   4      -5.991  10.694   4.034  1.00  8.90           C
ATOM      0  H   PHE A   4      -4.355   5.457   3.964  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -3.026   7.787   2.732  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -3.337   7.106   5.689  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -2.099   8.198   5.100  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -2.675  10.260   4.004  1.00  6.69           H   new
ATOM      0  HD2 PHE A   4      -5.705   7.607   5.422  1.00  8.34           H   new
ATOM      0  HE1 PHE A   4      -4.372  11.939   3.398  1.00  9.10           H   new
ATOM      0  HE2 PHE A   4      -7.391   9.269   4.736  1.00 10.61           H   new
ATOM      0  HZ  PHE A   4      -6.754  11.413   3.775  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -1.028   6.179   2.550  1.00  4.44           N
ATOM     77  CA  VAL A   5       0.045   5.240   2.439  1.00  3.87           C
ATOM     78  C   VAL A   5       1.297   5.926   2.865  1.00  4.93           C
ATOM     79  O   VAL A   5       1.571   7.001   2.334  1.00  6.84           O
ATOM     80  CB  VAL A   5       0.233   4.666   1.066  1.00  2.99           C
ATOM     81  CG1 VAL A   5       1.372   3.636   1.157  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -1.103   4.006   0.684  1.00  9.13           C
ATOM      0  H   VAL A   5      -1.055   6.890   1.819  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -0.204   4.392   3.076  1.00  3.87           H   new
ATOM      0  HB  VAL A   5       0.496   5.409   0.313  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       1.541   3.193   0.176  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       2.283   4.130   1.494  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       1.100   2.854   1.866  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -1.022   3.570  -0.312  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -1.341   3.224   1.405  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -1.894   4.756   0.688  1.00  9.13           H   new
ATOM     92  N   LYS A   6       2.096   5.435   3.829  1.00  6.04           N
ATOM     93  CA  LYS A   6       3.166   6.117   4.489  1.00  6.12           C
ATOM     94  C   LYS A   6       4.462   5.404   4.314  1.00  6.57           C
ATOM     95  O   LYS A   6       4.607   4.236   4.673  1.00  5.76           O
ATOM     96  CB  LYS A   6       2.856   6.301   5.984  1.00  7.45           C
ATOM     97  CG  LYS A   6       1.499   6.984   6.164  1.00 11.12           C
ATOM     98  CD  LYS A   6       1.233   7.425   7.605  1.00 14.54           C
ATOM     99  CE  LYS A   6      -0.194   7.897   7.892  1.00 18.84           C
ATOM    100  NZ  LYS A   6      -0.453   8.090   9.337  1.00 20.55           N
ATOM      0  H   LYS A   6       1.983   4.482   4.174  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       3.260   7.100   4.027  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       2.852   5.332   6.484  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       3.637   6.899   6.454  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       1.448   7.854   5.509  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       0.711   6.301   5.849  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6       1.464   6.593   8.270  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       1.922   8.232   7.853  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6      -0.375   8.835   7.366  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6      -0.900   7.168   7.495  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6      -1.433   8.410   9.474  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6      -0.309   7.191   9.839  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6       0.201   8.806   9.714  1.00 20.55           H   new
ATOM    114  N   THR A   7       5.433   6.204   3.838  1.00  7.41           N
ATOM    115  CA  THR A   7       6.800   5.785   3.822  1.00  7.48           C
ATOM    116  C   THR A   7       7.360   5.733   5.202  1.00  8.75           C
ATOM    117  O   THR A   7       6.757   6.166   6.183  1.00  8.58           O
ATOM    118  CB  THR A   7       7.662   6.568   2.877  1.00  9.61           C
ATOM    119  OG1 THR A   7       7.872   7.899   3.325  1.00 11.78           O
ATOM    120  CG2 THR A   7       7.078   6.500   1.455  1.00  9.17           C
ATOM      0  H   THR A   7       5.272   7.139   3.465  1.00  7.41           H   new
ATOM      0  HA  THR A   7       6.807   4.771   3.423  1.00  7.48           H   new
ATOM      0  HB  THR A   7       8.652   6.113   2.851  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       8.813   8.017   3.571  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       7.710   7.071   0.775  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       7.038   5.461   1.127  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       6.072   6.920   1.454  1.00  9.17           H   new
ATOM    128  N   LEU A   8       8.563   5.166   5.402  1.00  9.84           N
ATOM    129  CA  LEU A   8       9.248   4.978   6.643  1.00 14.15           C
ATOM    130  C   LEU A   8       9.965   6.204   7.091  1.00 17.37           C
ATOM    131  O   LEU A   8      10.253   6.296   8.284  1.00 17.01           O
ATOM    132  CB  LEU A   8      10.333   3.892   6.548  1.00 16.63           C
ATOM    133  CG  LEU A   8       9.840   2.463   6.266  1.00 18.88           C
ATOM    134  CD1 LEU A   8      11.045   1.511   6.180  1.00 18.59           C
ATOM    135  CD2 LEU A   8       8.814   1.903   7.266  1.00 19.31           C
ATOM      0  H   LEU A   8       9.106   4.805   4.618  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       8.460   4.701   7.343  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8      11.033   4.175   5.761  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8      10.892   3.883   7.484  1.00 16.63           H   new
ATOM      0  HG  LEU A   8       9.307   2.529   5.318  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8      10.695   0.498   5.980  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8      11.706   1.832   5.375  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8      11.589   1.527   7.124  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8       8.535   0.891   6.973  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8       9.252   1.884   8.264  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8       7.927   2.537   7.271  1.00 19.31           H   new
ATOM    147  N   THR A   9      10.128   7.224   6.230  1.00 18.33           N
ATOM    148  CA  THR A   9      10.816   8.429   6.575  1.00 19.24           C
ATOM    149  C   THR A   9       9.860   9.439   7.109  1.00 19.48           C
ATOM    150  O   THR A   9      10.079  10.147   8.091  1.00 23.14           O
ATOM    151  CB  THR A   9      11.529   9.052   5.410  1.00 18.97           C
ATOM    152  OG1 THR A   9      10.654   9.336   4.328  1.00 20.24           O
ATOM    153  CG2 THR A   9      12.628   8.100   4.910  1.00 19.70           C
ATOM      0  H   THR A   9       9.774   7.211   5.273  1.00 18.33           H   new
ATOM      0  HA  THR A   9      11.554   8.144   7.325  1.00 19.24           H   new
ATOM      0  HB  THR A   9      11.953   9.993   5.761  1.00 18.97           H   new
ATOM      0  HG1 THR A   9      11.162   9.741   3.594  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      13.145   8.553   4.064  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      13.341   7.913   5.713  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      12.178   7.157   4.598  1.00 19.70           H   new
ATOM    161  N   GLY A  10       8.656   9.455   6.508  1.00 19.43           N
ATOM    162  CA  GLY A  10       7.520  10.178   6.988  1.00 18.74           C
ATOM    163  C   GLY A  10       6.904  11.016   5.921  1.00 17.62           C
ATOM    164  O   GLY A  10       6.464  12.112   6.268  1.00 19.74           O
ATOM      0  H   GLY A  10       8.467   8.940   5.648  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       6.779   9.477   7.372  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       7.820  10.814   7.821  1.00 18.74           H   new
ATOM    168  N   LYS A  11       6.842  10.537   4.666  1.00 13.56           N
ATOM    169  CA  LYS A  11       6.132  11.184   3.607  1.00 11.91           C
ATOM    170  C   LYS A  11       4.841  10.443   3.542  1.00 10.18           C
ATOM    171  O   LYS A  11       4.833   9.213   3.536  1.00  9.10           O
ATOM    172  CB  LYS A  11       6.886  11.146   2.267  1.00 13.43           C
ATOM    173  CG  LYS A  11       6.335  12.025   1.142  1.00 16.69           C
ATOM    174  CD  LYS A  11       7.132  11.936  -0.161  1.00 17.92           C
ATOM    175  CE  LYS A  11       6.821  12.941  -1.273  1.00 20.81           C
ATOM    176  NZ  LYS A  11       5.482  12.631  -1.822  1.00 21.93           N
ATOM      0  H   LYS A  11       7.300   9.672   4.379  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       6.000  12.249   3.797  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       7.920  11.437   2.450  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       6.903  10.114   1.915  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       5.302  11.740   0.945  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       6.321  13.062   1.478  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       8.189  12.033   0.089  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       6.991  10.935  -0.569  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       6.844  13.958  -0.882  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       7.575  12.884  -2.058  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       5.302  13.226  -2.656  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       5.443  11.629  -2.097  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       4.758  12.820  -1.099  1.00 21.93           H   new
ATOM    190  N   THR A  12       3.703  11.136   3.359  1.00  9.63           N
ATOM    191  CA  THR A  12       2.424  10.501   3.439  1.00  9.85           C
ATOM    192  C   THR A  12       1.781  10.558   2.096  1.00 11.66           C
ATOM    193  O   THR A  12       1.602  11.654   1.567  1.00 12.33           O
ATOM    194  CB  THR A  12       1.474  11.102   4.431  1.00 10.85           C
ATOM    195  OG1 THR A  12       1.967  10.996   5.759  1.00 10.91           O
ATOM    196  CG2 THR A  12       0.170  10.290   4.522  1.00  9.63           C
ATOM      0  H   THR A  12       3.668  12.135   3.156  1.00  9.63           H   new
ATOM      0  HA  THR A  12       2.621   9.484   3.779  1.00  9.85           H   new
ATOM      0  HB  THR A  12       1.338  12.129   4.091  1.00 10.85           H   new
ATOM      0  HG1 THR A  12       1.324  11.399   6.380  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -0.497  10.753   5.250  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -0.315  10.271   3.546  1.00  9.63           H   new
ATOM      0 HG23 THR A  12       0.397   9.271   4.834  1.00  9.63           H   new
ATOM    204  N   ILE A  13       1.406   9.410   1.504  1.00 10.42           N
ATOM    205  CA  ILE A  13       0.959   9.303   0.150  1.00 11.84           C
ATOM    206  C   ILE A  13      -0.518   9.214   0.325  1.00 10.55           C
ATOM    207  O   ILE A  13      -1.017   8.369   1.066  1.00 11.92           O
ATOM    208  CB  ILE A  13       1.572   8.164  -0.610  1.00 14.86           C
ATOM    209  CG1 ILE A  13       3.108   8.149  -0.682  1.00 14.87           C
ATOM    210  CG2 ILE A  13       0.983   7.940  -2.013  1.00 17.08           C
ATOM    211  CD1 ILE A  13       3.644   6.790  -1.131  1.00 16.46           C
ATOM      0  H   ILE A  13       1.415   8.515   1.993  1.00 10.42           H   new
ATOM      0  HA  ILE A  13       1.263  10.141  -0.478  1.00 11.84           H   new
ATOM      0  HB  ILE A  13       1.283   7.323   0.020  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       3.447   8.920  -1.375  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       3.520   8.396   0.296  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       1.486   7.098  -2.488  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13      -0.083   7.727  -1.930  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13       1.128   8.836  -2.616  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       4.733   6.823  -1.169  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       3.328   6.023  -0.424  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       3.254   6.554  -2.121  1.00 16.46           H   new
ATOM    223  N   THR A  14      -1.259  10.066  -0.406  1.00  9.39           N
ATOM    224  CA  THR A  14      -2.687  10.119  -0.363  1.00  9.63           C
ATOM    225  C   THR A  14      -3.301   9.672  -1.645  1.00 11.20           C
ATOM    226  O   THR A  14      -3.210  10.281  -2.710  1.00 11.63           O
ATOM    227  CB  THR A  14      -3.271  11.478  -0.113  1.00 10.38           C
ATOM    228  OG1 THR A  14      -2.899  12.042   1.136  1.00 16.30           O
ATOM    229  CG2 THR A  14      -4.808  11.456  -0.054  1.00 11.66           C
ATOM      0  H   THR A  14      -0.849  10.742  -1.050  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -2.916   9.460   0.475  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -2.884  12.060  -0.949  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -3.425  11.628   1.852  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -5.180  12.464   0.129  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -5.203  11.090  -1.002  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -5.132  10.798   0.752  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -3.975   8.518  -1.501  1.00  8.29           N
ATOM    238  CA  LEU A  15      -4.611   7.915  -2.632  1.00  9.03           C
ATOM    239  C   LEU A  15      -6.093   7.850  -2.491  1.00  8.59           C
ATOM    240  O   LEU A  15      -6.612   7.839  -1.376  1.00  7.79           O
ATOM    241  CB  LEU A  15      -4.288   6.419  -2.783  1.00 11.08           C
ATOM    242  CG  LEU A  15      -2.765   6.228  -2.873  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -2.470   4.719  -2.885  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -2.058   6.882  -4.073  1.00 15.88           C
ATOM      0  H   LEU A  15      -4.080   8.011  -0.622  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -4.256   8.536  -3.454  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -4.685   5.863  -1.934  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -4.768   6.021  -3.677  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -2.360   6.744  -2.002  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -1.394   4.559  -2.949  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -2.851   4.267  -1.969  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -2.956   4.260  -3.746  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -0.989   6.675  -4.022  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -2.463   6.475  -5.000  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -2.221   7.960  -4.048  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -6.835   7.720  -3.606  1.00 11.04           N
ATOM    257  CA  GLU A  16      -8.250   7.519  -3.634  1.00 11.50           C
ATOM    258  C   GLU A  16      -8.402   6.143  -4.186  1.00 10.13           C
ATOM    259  O   GLU A  16      -8.079   5.885  -5.345  1.00  9.83           O
ATOM    260  CB  GLU A  16      -8.936   8.421  -4.673  1.00 17.22           C
ATOM    261  CG  GLU A  16      -9.375   9.772  -4.106  1.00 23.33           C
ATOM    262  CD  GLU A  16     -10.201  10.642  -5.043  1.00 26.99           C
ATOM    263  OE1 GLU A  16     -10.344  10.251  -6.232  1.00 28.86           O
ATOM    264  OE2 GLU A  16     -10.660  11.736  -4.619  1.00 28.90           O
ATOM      0  H   GLU A  16      -6.424   7.757  -4.539  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -8.674   7.707  -2.648  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -8.253   8.589  -5.506  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -9.807   7.903  -5.075  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -9.954   9.595  -3.200  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -8.485  10.329  -3.812  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -8.981   5.251  -3.363  1.00  8.99           N
ATOM    272  CA  VAL A  17      -9.165   3.888  -3.755  1.00  8.85           C
ATOM    273  C   VAL A  17     -10.605   3.534  -3.607  1.00  8.04           C
ATOM    274  O   VAL A  17     -11.277   4.052  -2.717  1.00  8.99           O
ATOM    275  CB  VAL A  17      -8.312   2.881  -3.042  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -6.857   3.348  -3.215  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -8.735   2.776  -1.568  1.00 10.54           C
ATOM      0  H   VAL A  17      -9.321   5.473  -2.427  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -8.836   3.834  -4.793  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -8.425   1.878  -3.453  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -6.188   2.649  -2.713  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -6.611   3.387  -4.276  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -6.739   4.340  -2.778  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -8.109   2.042  -1.061  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -8.619   3.747  -1.086  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -9.778   2.465  -1.510  1.00 10.54           H   new
ATOM    287  N   GLU A  18     -11.057   2.532  -4.382  1.00  7.29           N
ATOM    288  CA  GLU A  18     -12.359   1.978  -4.175  1.00  7.08           C
ATOM    289  C   GLU A  18     -12.247   0.780  -3.296  1.00  6.45           C
ATOM    290  O   GLU A  18     -11.187   0.156  -3.318  1.00  5.28           O
ATOM    291  CB  GLU A  18     -13.006   1.573  -5.511  1.00 10.28           C
ATOM    292  CG  GLU A  18     -13.426   2.703  -6.453  1.00 12.65           C
ATOM    293  CD  GLU A  18     -14.367   3.646  -5.716  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -15.438   3.129  -5.301  1.00 14.33           O
ATOM    295  OE2 GLU A  18     -14.049   4.862  -5.627  1.00 18.17           O
ATOM      0  H   GLU A  18     -10.528   2.109  -5.144  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -12.988   2.734  -3.704  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -12.306   0.930  -6.045  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -13.887   0.971  -5.291  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -12.548   3.246  -6.803  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -13.919   2.293  -7.334  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -13.112   0.350  -2.427  1.00  7.24           N
ATOM    303  CA  PRO A  19     -12.861  -0.806  -1.616  1.00  7.07           C
ATOM    304  C   PRO A  19     -12.758  -2.140  -2.272  1.00  6.65           C
ATOM    305  O   PRO A  19     -12.294  -3.069  -1.613  1.00  6.37           O
ATOM    306  CB  PRO A  19     -14.038  -0.827  -0.645  1.00  7.61           C
ATOM    307  CG  PRO A  19     -15.118   0.107  -1.215  1.00  8.16           C
ATOM    308  CD  PRO A  19     -14.332   1.077  -2.110  1.00  7.49           C
ATOM      0  HA  PRO A  19     -11.862  -0.689  -1.195  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -14.426  -1.840  -0.533  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -13.726  -0.494   0.345  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -15.865  -0.446  -1.785  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -15.648   0.635  -0.423  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -14.891   1.332  -3.011  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -14.117   2.012  -1.593  1.00  7.49           H   new
ATOM    316  N   SER A  20     -13.106  -2.099  -3.570  1.00  6.80           N
ATOM    317  CA  SER A  20     -12.766  -3.180  -4.442  1.00  6.28           C
ATOM    318  C   SER A  20     -11.592  -3.085  -5.355  1.00  8.45           C
ATOM    319  O   SER A  20     -11.420  -3.945  -6.218  1.00  7.26           O
ATOM    320  CB  SER A  20     -13.988  -3.492  -5.323  1.00  8.57           C
ATOM    321  OG  SER A  20     -15.191  -3.765  -4.621  1.00 11.13           O
ATOM      0  H   SER A  20     -13.614  -1.332  -4.010  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -12.463  -3.946  -3.728  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -14.160  -2.646  -5.989  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -13.752  -4.350  -5.952  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -15.909  -3.949  -5.262  1.00 11.13           H   new
ATOM    327  N   ASP A  21     -10.750  -2.064  -5.119  1.00  7.50           N
ATOM    328  CA  ASP A  21      -9.500  -2.046  -5.814  1.00  7.70           C
ATOM    329  C   ASP A  21      -8.542  -3.032  -5.239  1.00  7.08           C
ATOM    330  O   ASP A  21      -8.796  -3.569  -4.162  1.00  8.11           O
ATOM    331  CB  ASP A  21      -8.887  -0.635  -5.806  1.00 11.00           C
ATOM    332  CG  ASP A  21      -9.165   0.120  -7.098  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -8.773  -0.343  -8.202  1.00 18.03           O
ATOM    334  OD2 ASP A  21      -9.944   1.110  -7.082  1.00 14.36           O
ATOM      0  H   ASP A  21     -10.920  -1.287  -4.481  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -9.697  -2.332  -6.847  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -9.289  -0.071  -4.964  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -7.810  -0.709  -5.655  1.00 11.00           H   new
ATOM    339  N   THR A  22      -7.479  -3.336  -6.006  1.00  5.37           N
ATOM    340  CA  THR A  22      -6.443  -4.216  -5.564  1.00  6.01           C
ATOM    341  C   THR A  22      -5.160  -3.582  -5.150  1.00  8.01           C
ATOM    342  O   THR A  22      -4.838  -2.455  -5.524  1.00  8.11           O
ATOM    343  CB  THR A  22      -6.023  -5.231  -6.586  1.00  8.92           C
ATOM    344  OG1 THR A  22      -5.679  -4.603  -7.812  1.00 10.22           O
ATOM    345  CG2 THR A  22      -7.212  -6.185  -6.792  1.00  9.65           C
ATOM      0  H   THR A  22      -7.337  -2.966  -6.946  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -6.946  -4.657  -4.703  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -5.142  -5.773  -6.242  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -5.407  -5.283  -8.463  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -6.948  -6.942  -7.531  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -7.457  -6.670  -5.847  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -8.075  -5.620  -7.144  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -4.279  -4.308  -4.439  1.00  8.32           N
ATOM    354  CA  ILE A  23      -2.956  -3.940  -4.039  1.00  9.92           C
ATOM    355  C   ILE A  23      -2.061  -3.733  -5.211  1.00 10.01           C
ATOM    356  O   ILE A  23      -1.279  -2.787  -5.286  1.00  8.71           O
ATOM    357  CB  ILE A  23      -2.362  -4.940  -3.092  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -3.194  -5.303  -1.851  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -0.904  -4.659  -2.690  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -3.362  -4.034  -1.016  1.00 12.30           C
ATOM      0  H   ILE A  23      -4.519  -5.244  -4.113  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -3.043  -2.990  -3.512  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -2.377  -5.828  -3.725  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -4.166  -5.699  -2.145  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -2.696  -6.080  -1.270  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23      -0.560  -5.433  -2.004  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23      -0.275  -4.657  -3.580  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -0.842  -3.687  -2.200  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -3.950  -4.259  -0.126  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -2.382  -3.662  -0.719  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -3.875  -3.275  -1.607  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -2.246  -4.546  -6.266  1.00  9.54           N
ATOM    373  CA  GLU A  24      -1.600  -4.342  -7.526  1.00 11.81           C
ATOM    374  C   GLU A  24      -1.776  -2.989  -8.125  1.00 11.14           C
ATOM    375  O   GLU A  24      -0.837  -2.378  -8.633  1.00 10.62           O
ATOM    376  CB  GLU A  24      -2.219  -5.370  -8.488  1.00 19.24           C
ATOM    377  CG  GLU A  24      -1.523  -5.702  -9.810  1.00 27.76           C
ATOM    378  CD  GLU A  24      -2.334  -6.568 -10.763  1.00 32.92           C
ATOM    379  OE1 GLU A  24      -3.404  -6.079 -11.215  1.00 34.80           O
ATOM    380  OE2 GLU A  24      -1.945  -7.729 -11.057  1.00 36.51           O
ATOM      0  H   GLU A  24      -2.857  -5.362  -6.244  1.00  9.54           H   new
ATOM      0  HA  GLU A  24      -0.527  -4.449  -7.364  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24      -2.328  -6.304  -7.937  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24      -3.224  -5.023  -8.730  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24      -1.271  -4.769 -10.315  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24      -0.584  -6.210  -9.591  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -2.995  -2.421  -8.136  1.00  9.43           N
ATOM    388  CA  ASN A  25      -3.357  -1.083  -8.485  1.00 10.96           C
ATOM    389  C   ASN A  25      -2.819  -0.034  -7.574  1.00  9.68           C
ATOM    390  O   ASN A  25      -2.294   0.969  -8.056  1.00  9.33           O
ATOM    391  CB  ASN A  25      -4.865  -0.805  -8.602  1.00 16.78           C
ATOM    392  CG  ASN A  25      -5.535  -1.636  -9.686  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -4.961  -2.259 -10.578  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -6.893  -1.597  -9.623  1.00 24.70           N
ATOM      0  H   ASN A  25      -3.817  -2.964  -7.870  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -2.894  -1.018  -9.470  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -5.343  -1.011  -7.645  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -5.019   0.253  -8.814  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -7.450  -2.089 -10.322  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -7.354  -1.076  -8.877  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -2.802  -0.193  -6.239  1.00  6.52           N
ATOM    402  CA  VAL A  26      -2.243   0.704  -5.275  1.00  5.53           C
ATOM    403  C   VAL A  26      -0.793   0.799  -5.608  1.00  4.42           C
ATOM    404  O   VAL A  26      -0.258   1.889  -5.806  1.00  3.40           O
ATOM    405  CB  VAL A  26      -2.449   0.256  -3.859  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -1.868   1.216  -2.807  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -3.913   0.103  -3.412  1.00  8.12           C
ATOM      0  H   VAL A  26      -3.213  -1.016  -5.799  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -2.742   1.672  -5.328  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -1.939  -0.707  -3.894  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -2.058   0.821  -1.809  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -0.793   1.315  -2.959  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -2.340   2.193  -2.906  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -3.944  -0.225  -2.373  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -4.424   1.061  -3.506  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -4.410  -0.636  -4.040  1.00  8.12           H   new
ATOM    417  N   LYS A  27      -0.086  -0.339  -5.720  1.00  2.64           N
ATOM    418  CA  LYS A  27       1.306  -0.295  -6.047  1.00  4.14           C
ATOM    419  C   LYS A  27       1.654   0.368  -7.335  1.00  5.58           C
ATOM    420  O   LYS A  27       2.637   1.082  -7.530  1.00  4.11           O
ATOM    421  CB  LYS A  27       1.905  -1.712  -6.045  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.107  -2.350  -4.669  1.00  7.45           C
ATOM    423  CD  LYS A  27       2.631  -3.787  -4.693  1.00  9.02           C
ATOM    424  CE  LYS A  27       3.271  -4.386  -3.439  1.00 12.90           C
ATOM    425  NZ  LYS A  27       3.832  -5.721  -3.747  1.00 15.47           N
ATOM      0  H   LYS A  27      -0.469  -1.275  -5.587  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       1.737   0.330  -5.265  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       1.256  -2.361  -6.633  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       2.868  -1.679  -6.554  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       2.803  -1.735  -4.099  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       1.157  -2.335  -4.135  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       1.798  -4.432  -4.972  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       3.366  -3.851  -5.495  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       4.058  -3.727  -3.072  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       2.528  -4.468  -2.645  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       4.436  -6.034  -2.960  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       3.057  -6.401  -3.879  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       4.398  -5.667  -4.618  1.00 15.47           H   new
ATOM    439  N   ALA A  28       0.760   0.179  -8.321  1.00  6.61           N
ATOM    440  CA  ALA A  28       0.917   0.860  -9.569  1.00  7.74           C
ATOM    441  C   ALA A  28       0.906   2.347  -9.466  1.00  9.17           C
ATOM    442  O   ALA A  28       1.647   3.076 -10.123  1.00 11.45           O
ATOM    443  CB  ALA A  28      -0.216   0.425 -10.514  1.00  7.68           C
ATOM      0  H   ALA A  28      -0.055  -0.431  -8.259  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       1.902   0.585  -9.946  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28      -0.109   0.937 -11.470  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28      -0.165  -0.652 -10.671  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28      -1.178   0.682 -10.071  1.00  7.68           H   new
ATOM    449  N   LYS A  29      -0.042   2.880  -8.674  1.00  8.96           N
ATOM    450  CA  LYS A  29      -0.289   4.280  -8.524  1.00  7.90           C
ATOM    451  C   LYS A  29       0.796   4.872  -7.691  1.00  6.92           C
ATOM    452  O   LYS A  29       1.098   6.034  -7.958  1.00  6.87           O
ATOM    453  CB  LYS A  29      -1.695   4.592  -7.985  1.00 10.28           C
ATOM    454  CG  LYS A  29      -2.839   4.191  -8.919  1.00 14.94           C
ATOM    455  CD  LYS A  29      -4.101   4.765  -8.271  1.00 19.69           C
ATOM    456  CE  LYS A  29      -5.348   3.884  -8.372  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -5.698   3.562  -9.774  1.00 24.98           N
ATOM      0  H   LYS A  29      -0.667   2.305  -8.110  1.00  8.96           H   new
ATOM      0  HA  LYS A  29      -0.272   4.745  -9.510  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -1.826   4.081  -7.031  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -1.764   5.661  -7.785  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -2.691   4.595  -9.920  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -2.905   3.108  -9.019  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -3.894   4.954  -7.218  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -4.319   5.729  -8.731  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -5.182   2.959  -7.820  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -6.188   4.392  -7.898  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -6.549   2.964  -9.791  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -5.883   4.442 -10.296  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -4.908   3.054 -10.221  1.00 24.98           H   new
ATOM    471  N   ILE A  30       1.475   4.136  -6.793  1.00  4.57           N
ATOM    472  CA  ILE A  30       2.634   4.645  -6.127  1.00  5.58           C
ATOM    473  C   ILE A  30       3.750   4.842  -7.094  1.00  7.26           C
ATOM    474  O   ILE A  30       4.603   5.725  -7.014  1.00  9.46           O
ATOM    475  CB  ILE A  30       2.967   3.760  -4.963  1.00  5.36           C
ATOM    476  CG1 ILE A  30       1.835   3.773  -3.921  1.00  2.94           C
ATOM    477  CG2 ILE A  30       4.317   4.118  -4.319  1.00  2.78           C
ATOM    478  CD1 ILE A  30       1.906   2.587  -2.960  1.00  2.00           C
ATOM      0  H   ILE A  30       1.220   3.185  -6.527  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       2.438   5.635  -5.715  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       3.065   2.747  -5.353  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       1.882   4.701  -3.351  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       0.874   3.763  -4.435  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       4.510   3.447  -3.482  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       5.112   4.014  -5.058  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       4.288   5.147  -3.960  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       1.084   2.647  -2.247  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       1.831   1.657  -3.524  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       2.854   2.610  -2.423  1.00  2.00           H   new
ATOM    490  N   GLN A  31       3.826   4.046  -8.176  1.00  7.06           N
ATOM    491  CA  GLN A  31       4.799   4.195  -9.213  1.00  8.67           C
ATOM    492  C   GLN A  31       4.655   5.439 -10.020  1.00 10.90           C
ATOM    493  O   GLN A  31       5.608   6.206 -10.146  1.00  9.63           O
ATOM    494  CB  GLN A  31       4.903   2.936 -10.090  1.00  9.12           C
ATOM    495  CG  GLN A  31       6.040   2.938 -11.114  1.00 10.76           C
ATOM    496  CD  GLN A  31       5.894   1.736 -12.036  1.00 13.78           C
ATOM    497  OE1 GLN A  31       4.972   0.960 -11.786  1.00 14.48           O
ATOM    498  NE2 GLN A  31       6.800   1.635 -13.045  1.00 14.76           N
ATOM      0  H   GLN A  31       3.185   3.269  -8.334  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       5.750   4.313  -8.694  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       5.025   2.070  -9.439  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       3.960   2.805 -10.621  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       6.019   3.860 -11.695  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       7.003   2.904 -10.604  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       7.524   2.345 -13.153  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       6.755   0.849 -13.694  1.00 14.76           H   new
ATOM    507  N   ASP A  32       3.430   5.740 -10.486  1.00 10.93           N
ATOM    508  CA  ASP A  32       3.093   6.927 -11.210  1.00 14.01           C
ATOM    509  C   ASP A  32       3.272   8.217 -10.487  1.00 14.04           C
ATOM    510  O   ASP A  32       3.914   9.092 -11.067  1.00 13.39           O
ATOM    511  CB  ASP A  32       1.644   6.858 -11.721  1.00 18.01           C
ATOM    512  CG  ASP A  32       1.213   7.814 -12.824  1.00 24.33           C
ATOM    513  OD1 ASP A  32       1.842   8.026 -13.895  1.00 25.17           O
ATOM    514  OD2 ASP A  32       0.074   8.320 -12.638  1.00 26.29           O
ATOM      0  H   ASP A  32       2.631   5.121 -10.350  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       3.817   6.938 -12.024  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       1.466   5.843 -12.075  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       0.984   7.018 -10.868  1.00 18.01           H   new
ATOM    519  N   LYS A  33       2.769   8.320  -9.244  1.00 14.22           N
ATOM    520  CA  LYS A  33       2.985   9.497  -8.460  1.00 14.00           C
ATOM    521  C   LYS A  33       4.416   9.575  -8.055  1.00 12.37           C
ATOM    522  O   LYS A  33       5.170  10.505  -8.339  1.00 12.17           O
ATOM    523  CB  LYS A  33       2.031   9.493  -7.254  1.00 18.62           C
ATOM    524  CG  LYS A  33       2.055  10.782  -6.429  1.00 24.00           C
ATOM    525  CD  LYS A  33       1.206  10.736  -5.157  1.00 27.61           C
ATOM    526  CE  LYS A  33      -0.306  10.742  -5.391  1.00 27.64           C
ATOM    527  NZ  LYS A  33      -0.814  11.675  -6.421  1.00 30.06           N
ATOM      0  H   LYS A  33       2.217   7.595  -8.784  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       2.766  10.389  -9.047  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       1.015   9.322  -7.610  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       2.287   8.655  -6.605  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33       3.086  11.004  -6.155  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33       1.707  11.605  -7.054  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33       1.468   9.840  -4.595  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33       1.466  11.591  -4.533  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -0.612   9.732  -5.665  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -0.796  10.978  -4.446  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -1.851  11.613  -6.464  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33      -0.535  12.647  -6.177  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33      -0.413  11.422  -7.347  1.00 30.06           H   new
ATOM    541  N   GLU A  34       4.908   8.662  -7.198  1.00 10.11           N
ATOM    542  CA  GLU A  34       6.162   8.847  -6.535  1.00 10.07           C
ATOM    543  C   GLU A  34       7.413   8.464  -7.248  1.00  9.32           C
ATOM    544  O   GLU A  34       8.487   8.964  -6.917  1.00 11.61           O
ATOM    545  CB  GLU A  34       6.042   8.114  -5.188  1.00 14.77           C
ATOM    546  CG  GLU A  34       4.983   8.747  -4.284  1.00 18.75           C
ATOM    547  CD  GLU A  34       5.201  10.178  -3.812  1.00 22.28           C
ATOM    548  OE1 GLU A  34       6.238  10.380  -3.127  1.00 25.19           O
ATOM    549  OE2 GLU A  34       4.329  11.075  -3.964  1.00 21.95           O
ATOM      0  H   GLU A  34       4.434   7.790  -6.963  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       6.306   9.924  -6.452  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       5.789   7.069  -5.365  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       7.007   8.127  -4.681  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       4.030   8.712  -4.813  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       4.880   8.117  -3.400  1.00 18.75           H   new
ATOM    556  N   GLY A  35       7.306   7.571  -8.248  1.00  7.22           N
ATOM    557  CA  GLY A  35       8.342   7.201  -9.162  1.00  6.29           C
ATOM    558  C   GLY A  35       9.109   6.018  -8.682  1.00  6.93           C
ATOM    559  O   GLY A  35      10.295   5.858  -8.968  1.00  7.41           O
ATOM      0  H   GLY A  35       6.434   7.073  -8.430  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       7.905   6.980 -10.136  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       9.021   8.042  -9.301  1.00  6.29           H   new
ATOM    563  N   ILE A  36       8.463   5.148  -7.886  1.00  5.86           N
ATOM    564  CA  ILE A  36       9.049   4.027  -7.219  1.00  6.07           C
ATOM    565  C   ILE A  36       8.659   2.774  -7.924  1.00  6.36           C
ATOM    566  O   ILE A  36       7.463   2.512  -8.037  1.00  6.18           O
ATOM    567  CB  ILE A  36       8.593   4.018  -5.790  1.00  7.47           C
ATOM    568  CG1 ILE A  36       8.685   5.393  -5.107  1.00  8.52           C
ATOM    569  CG2 ILE A  36       9.353   2.977  -4.951  1.00  7.36           C
ATOM    570  CD1 ILE A  36       8.332   5.291  -3.623  1.00  9.49           C
ATOM      0  H   ILE A  36       7.465   5.234  -7.696  1.00  5.86           H   new
ATOM      0  HA  ILE A  36      10.137   4.097  -7.233  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       7.539   3.744  -5.835  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       9.693   5.792  -5.218  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       8.009   6.093  -5.598  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       8.992   3.004  -3.923  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       9.188   1.983  -5.368  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36      10.419   3.205  -4.967  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       8.405   6.277  -3.163  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       7.315   4.915  -3.516  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       9.025   4.609  -3.130  1.00  9.49           H   new
ATOM    582  N   PRO A  37       9.527   1.912  -8.365  1.00  8.65           N
ATOM    583  CA  PRO A  37       9.038   0.781  -9.098  1.00  9.18           C
ATOM    584  C   PRO A  37       8.405  -0.278  -8.262  1.00  9.85           C
ATOM    585  O   PRO A  37       8.833  -0.436  -7.119  1.00  8.51           O
ATOM    586  CB  PRO A  37      10.304   0.202  -9.724  1.00 11.42           C
ATOM    587  CG  PRO A  37      11.382   0.605  -8.704  1.00  9.27           C
ATOM    588  CD  PRO A  37      10.971   2.000  -8.207  1.00  8.33           C
ATOM      0  HA  PRO A  37       8.258   1.096  -9.791  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      10.241  -0.879  -9.844  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      10.499   0.622 -10.711  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      11.430  -0.107  -7.880  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      12.370   0.627  -9.164  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      11.267   2.177  -7.173  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      11.407   2.800  -8.805  1.00  8.33           H   new
ATOM    596  N   PRO A  38       7.405  -1.021  -8.634  1.00  8.71           N
ATOM    597  CA  PRO A  38       6.650  -1.721  -7.636  1.00  9.08           C
ATOM    598  C   PRO A  38       7.324  -2.989  -7.239  1.00  9.28           C
ATOM    599  O   PRO A  38       6.816  -3.646  -6.332  1.00  6.50           O
ATOM    600  CB  PRO A  38       5.323  -1.985  -8.344  1.00 10.31           C
ATOM    601  CG  PRO A  38       5.673  -2.113  -9.836  1.00 10.81           C
ATOM    602  CD  PRO A  38       6.742  -1.012  -9.929  1.00 12.00           C
ATOM      0  HA  PRO A  38       6.536  -1.163  -6.706  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       4.853  -2.895  -7.971  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       4.619  -1.171  -8.174  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       6.060  -3.099 -10.094  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       4.818  -1.926 -10.486  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       7.447  -1.214 -10.735  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       6.292  -0.041 -10.135  1.00 12.00           H   new
ATOM    610  N   ASP A  39       8.413  -3.437  -7.889  1.00 11.20           N
ATOM    611  CA  ASP A  39       9.301  -4.499  -7.532  1.00 14.96           C
ATOM    612  C   ASP A  39      10.050  -4.268  -6.264  1.00 13.99           C
ATOM    613  O   ASP A  39      10.530  -5.198  -5.619  1.00 13.75           O
ATOM    614  CB  ASP A  39      10.260  -4.583  -8.731  1.00 24.16           C
ATOM    615  CG  ASP A  39      11.210  -5.764  -8.600  1.00 31.06           C
ATOM    616  OD1 ASP A  39      10.848  -6.963  -8.455  1.00 34.22           O
ATOM    617  OD2 ASP A  39      12.417  -5.405  -8.570  1.00 35.55           O
ATOM      0  H   ASP A  39       8.701  -3.002  -8.766  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       8.750  -5.419  -7.337  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39       9.685  -4.677  -9.653  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39      10.834  -3.659  -8.806  1.00 24.16           H   new
ATOM    622  N   GLN A  40      10.117  -2.993  -5.840  1.00 11.60           N
ATOM    623  CA  GLN A  40      10.833  -2.462  -4.722  1.00 10.76           C
ATOM    624  C   GLN A  40       9.870  -2.156  -3.627  1.00  8.01           C
ATOM    625  O   GLN A  40      10.291  -1.862  -2.509  1.00  8.96           O
ATOM    626  CB  GLN A  40      11.517  -1.153  -5.148  1.00 11.14           C
ATOM    627  CG  GLN A  40      12.433  -0.353  -4.220  1.00 14.85           C
ATOM    628  CD  GLN A  40      12.928   0.911  -4.909  1.00 16.11           C
ATOM    629  OE1 GLN A  40      12.683   2.005  -4.403  1.00 20.52           O
ATOM    630  NE2 GLN A  40      13.643   0.702  -6.047  1.00 18.16           N
ATOM      0  H   GLN A  40       9.614  -2.258  -6.337  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      11.574  -3.185  -4.380  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      12.103  -1.385  -6.037  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      10.722  -0.475  -5.458  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      11.895  -0.090  -3.309  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      13.283  -0.967  -3.922  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      13.793  -0.248  -6.388  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      14.030   1.495  -6.559  1.00 18.16           H   new
ATOM    639  N   GLN A  41       8.543  -2.189  -3.847  1.00  6.52           N
ATOM    640  CA  GLN A  41       7.609  -1.764  -2.851  1.00  3.87           C
ATOM    641  C   GLN A  41       7.199  -2.995  -2.118  1.00  4.79           C
ATOM    642  O   GLN A  41       6.957  -4.053  -2.696  1.00  6.34           O
ATOM    643  CB  GLN A  41       6.365  -1.100  -3.465  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.611   0.252  -4.137  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.343   0.725  -4.833  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.234   0.260  -4.575  1.00  5.21           O
ATOM    647  NE2 GLN A  41       5.493   1.618  -5.848  1.00  7.13           N
ATOM      0  H   GLN A  41       8.117  -2.511  -4.716  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       8.072  -1.021  -2.202  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       5.936  -1.780  -4.201  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       5.620  -0.967  -2.681  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       6.923   0.986  -3.394  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       7.422   0.166  -4.860  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       6.415   2.001  -6.058  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       4.684   1.905  -6.399  1.00  7.13           H   new
ATOM    656  N   ARG A  42       7.122  -2.888  -0.779  1.00  5.73           N
ATOM    657  CA  ARG A  42       6.431  -3.801   0.077  1.00  6.97           C
ATOM    658  C   ARG A  42       5.415  -3.005   0.821  1.00  7.15           C
ATOM    659  O   ARG A  42       5.662  -1.870   1.226  1.00  7.33           O
ATOM    660  CB  ARG A  42       7.377  -4.567   1.017  1.00 13.23           C
ATOM    661  CG  ARG A  42       8.052  -5.757   0.331  1.00 21.27           C
ATOM    662  CD  ARG A  42       9.199  -6.317   1.174  1.00 26.14           C
ATOM    663  NE  ARG A  42       9.426  -7.692   0.647  1.00 32.26           N
ATOM    664  CZ  ARG A  42       9.858  -8.783   1.345  1.00 34.32           C
ATOM    665  NH1 ARG A  42      10.301  -8.612   2.624  1.00 35.30           N
ATOM    666  NH2 ARG A  42       9.857 -10.057   0.854  1.00 36.39           N
ATOM      0  H   ARG A  42       7.565  -2.125  -0.268  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       5.950  -4.580  -0.514  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       8.142  -3.886   1.391  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       6.816  -4.921   1.882  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       7.315  -6.540   0.152  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       8.432  -5.448  -0.643  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42      10.095  -5.704   1.078  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       8.938  -6.337   2.232  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       9.238  -7.834  -0.345  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42      10.305  -7.682   3.042  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42      10.628  -9.415   3.162  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       9.518 -10.239  -0.091  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42      10.195 -10.827   1.432  1.00 36.39           H   new
ATOM    680  N   LEU A  43       4.219  -3.589   1.017  1.00  4.65           N
ATOM    681  CA  LEU A  43       3.217  -2.883   1.754  1.00  3.51           C
ATOM    682  C   LEU A  43       2.806  -3.735   2.905  1.00  5.56           C
ATOM    683  O   LEU A  43       2.700  -4.954   2.773  1.00  4.19           O
ATOM    684  CB  LEU A  43       1.968  -2.711   0.874  1.00  3.74           C
ATOM    685  CG  LEU A  43       2.127  -1.552  -0.125  1.00  6.32           C
ATOM    686  CD1 LEU A  43       0.814  -1.386  -0.908  1.00  6.41           C
ATOM    687  CD2 LEU A  43       2.531  -0.163   0.396  1.00  9.55           C
ATOM      0  H   LEU A  43       3.951  -4.514   0.680  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       3.609  -1.917   2.073  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       1.777  -3.636   0.330  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       1.100  -2.528   1.507  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       2.985  -1.871  -0.717  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       0.916  -0.566  -1.619  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       0.592  -2.308  -1.446  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43       0.002  -1.166  -0.215  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       2.597   0.534  -0.440  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       1.783   0.191   1.105  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       3.499  -0.228   0.892  1.00  9.55           H   new
ATOM    699  N   ILE A  44       2.676  -3.067   4.065  1.00  4.58           N
ATOM    700  CA  ILE A  44       2.425  -3.625   5.357  1.00  5.55           C
ATOM    701  C   ILE A  44       1.133  -3.128   5.909  1.00  5.46           C
ATOM    702  O   ILE A  44       0.874  -1.928   5.992  1.00  6.04           O
ATOM    703  CB  ILE A  44       3.471  -3.277   6.374  1.00  6.80           C
ATOM    704  CG1 ILE A  44       4.897  -3.545   5.862  1.00 10.31           C
ATOM    705  CG2 ILE A  44       3.394  -3.879   7.787  1.00  7.39           C
ATOM    706  CD1 ILE A  44       5.140  -4.952   5.317  1.00 13.90           C
ATOM      0  H   ILE A  44       2.753  -2.051   4.100  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       2.418  -4.703   5.194  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       3.233  -2.220   6.496  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       5.125  -2.824   5.077  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       5.598  -3.362   6.676  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       4.231  -3.516   8.383  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       2.457  -3.582   8.258  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       3.439  -4.966   7.722  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       6.174  -5.039   4.982  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       4.950  -5.684   6.102  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       4.470  -5.138   4.478  1.00 13.90           H   new
ATOM    718  N   PHE A  45       0.214  -3.982   6.392  1.00  6.75           N
ATOM    719  CA  PHE A  45      -0.926  -3.531   7.130  1.00  4.70           C
ATOM    720  C   PHE A  45      -0.995  -4.302   8.403  1.00  6.34           C
ATOM    721  O   PHE A  45      -0.989  -5.530   8.459  1.00  5.45           O
ATOM    722  CB  PHE A  45      -2.191  -3.818   6.303  1.00  5.51           C
ATOM    723  CG  PHE A  45      -3.389  -3.091   6.809  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -3.317  -1.726   6.961  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -4.545  -3.793   7.057  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -4.361  -1.073   7.572  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -5.626  -3.125   7.581  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -5.527  -1.769   7.787  1.00  6.84           C
ATOM      0  H   PHE A  45       0.261  -4.994   6.270  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -0.851  -2.464   7.338  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -2.013  -3.537   5.265  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -2.391  -4.889   6.313  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -2.457  -1.178   6.607  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -4.603  -4.850   6.844  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -4.268  -0.041   7.875  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -6.535  -3.654   7.826  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -6.398  -1.231   8.131  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -0.865  -3.534   9.500  1.00  6.53           N
ATOM    739  CA  ALA A  46      -0.611  -3.991  10.831  1.00  7.15           C
ATOM    740  C   ALA A  46       0.643  -4.781  10.980  1.00  9.00           C
ATOM    741  O   ALA A  46       1.726  -4.211  11.097  1.00 11.15           O
ATOM    742  CB  ALA A  46      -1.846  -4.570  11.542  1.00  8.99           C
ATOM      0  H   ALA A  46      -0.944  -2.518   9.451  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -0.397  -3.086  11.399  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -1.570  -4.894  12.545  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -2.620  -3.805  11.608  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -2.225  -5.422  10.977  1.00  8.99           H   new
ATOM    748  N   GLY A  47       0.615  -6.120  10.855  1.00  9.35           N
ATOM    749  CA  GLY A  47       1.810  -6.896  10.978  1.00 11.68           C
ATOM    750  C   GLY A  47       1.844  -8.038  10.021  1.00 11.14           C
ATOM    751  O   GLY A  47       2.249  -9.134  10.405  1.00 13.93           O
ATOM      0  H   GLY A  47      -0.229  -6.662  10.670  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       2.675  -6.256  10.807  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47       1.891  -7.276  11.996  1.00 11.68           H   new
ATOM    755  N   LYS A  48       1.128  -7.895   8.891  1.00 10.47           N
ATOM    756  CA  LYS A  48       1.008  -8.811   7.801  1.00  8.82           C
ATOM    757  C   LYS A  48       1.633  -8.096   6.653  1.00  7.68           C
ATOM    758  O   LYS A  48       1.533  -6.873   6.558  1.00  6.47           O
ATOM    759  CB  LYS A  48      -0.462  -9.249   7.692  1.00  9.74           C
ATOM    760  CG  LYS A  48      -0.699 -10.423   6.740  1.00 14.14           C
ATOM    761  CD  LYS A  48      -2.187 -10.749   6.594  1.00 16.32           C
ATOM    762  CE  LYS A  48      -2.610 -11.466   7.878  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -3.863 -12.194   7.576  1.00 23.92           N
ATOM      0  H   LYS A  48       0.579  -7.051   8.728  1.00 10.47           H   new
ATOM      0  HA  LYS A  48       1.525  -9.766   7.891  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -0.822  -9.522   8.684  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48      -1.058  -8.400   7.359  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -0.282 -10.186   5.761  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -0.169 -11.302   7.108  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -2.770  -9.839   6.449  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -2.361 -11.381   5.723  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -1.833 -12.156   8.208  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -2.765 -10.751   8.686  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -4.186 -12.697   8.427  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -4.594 -11.518   7.276  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -3.691 -12.879   6.813  1.00 23.92           H   new
ATOM    777  N   GLN A  49       2.149  -8.773   5.612  1.00  8.89           N
ATOM    778  CA  GLN A  49       2.617  -8.121   4.429  1.00  7.18           C
ATOM    779  C   GLN A  49       1.706  -8.550   3.331  1.00  8.23           C
ATOM    780  O   GLN A  49       1.324  -9.712   3.196  1.00  9.70           O
ATOM    781  CB  GLN A  49       4.108  -8.276   4.084  1.00 11.67           C
ATOM    782  CG  GLN A  49       4.688  -7.789   2.755  1.00 15.82           C
ATOM    783  CD  GLN A  49       6.127  -8.283   2.704  1.00 20.21           C
ATOM    784  OE1 GLN A  49       6.904  -8.002   3.615  1.00 23.23           O
ATOM    785  NE2 GLN A  49       6.496  -8.904   1.552  1.00 20.67           N
ATOM      0  H   GLN A  49       2.243  -9.788   5.591  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       2.578  -7.045   4.599  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       4.667  -7.774   4.874  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       4.338  -9.339   4.157  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       4.114  -8.180   1.915  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       4.649  -6.702   2.690  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       5.798  -9.108   0.836  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       7.470  -9.166   1.404  1.00 20.67           H   new
ATOM    794  N   LEU A  50       1.296  -7.606   2.466  1.00  6.51           N
ATOM    795  CA  LEU A  50       0.226  -7.844   1.548  1.00  7.41           C
ATOM    796  C   LEU A  50       0.565  -8.574   0.294  1.00  8.27           C
ATOM    797  O   LEU A  50       1.715  -8.492  -0.134  1.00  8.34           O
ATOM    798  CB  LEU A  50      -0.446  -6.495   1.237  1.00  7.13           C
ATOM    799  CG  LEU A  50      -0.836  -5.685   2.484  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -1.642  -4.414   2.166  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -1.688  -6.399   3.547  1.00  8.14           C
ATOM      0  H   LEU A  50       1.707  -6.675   2.402  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -0.449  -8.537   2.051  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50       0.230  -5.897   0.626  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -1.340  -6.676   0.640  1.00  7.13           H   new
ATOM      0  HG  LEU A  50       0.160  -5.486   2.879  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -1.882  -3.894   3.093  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -1.051  -3.760   1.525  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -2.565  -4.687   1.654  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -1.890  -5.715   4.371  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -2.630  -6.721   3.103  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -1.148  -7.269   3.922  1.00  8.14           H   new
ATOM    813  N   GLU A  51      -0.398  -9.272  -0.333  1.00  9.43           N
ATOM    814  CA  GLU A  51      -0.285  -9.908  -1.609  1.00 11.90           C
ATOM    815  C   GLU A  51      -0.946  -9.109  -2.679  1.00 11.49           C
ATOM    816  O   GLU A  51      -1.836  -8.281  -2.493  1.00  9.88           O
ATOM    817  CB  GLU A  51      -0.896 -11.318  -1.539  1.00 16.56           C
ATOM    818  CG  GLU A  51      -0.414 -12.302  -0.472  1.00 26.06           C
ATOM    819  CD  GLU A  51      -1.232 -13.583  -0.563  1.00 29.86           C
ATOM    820  OE1 GLU A  51      -1.125 -14.375  -1.536  1.00 33.44           O
ATOM    821  OE2 GLU A  51      -2.074 -13.769   0.356  1.00 32.13           O
ATOM      0  H   GLU A  51      -1.321  -9.401   0.082  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       0.773  -9.982  -1.862  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51      -1.972 -11.200  -1.411  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51      -0.740 -11.789  -2.510  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       0.644 -12.522  -0.615  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51      -0.517 -11.861   0.519  1.00 26.06           H   new
ATOM    828  N   ASP A  52      -0.512  -9.341  -3.931  1.00 12.71           N
ATOM    829  CA  ASP A  52      -0.747  -8.421  -5.000  1.00 16.56           C
ATOM    830  C   ASP A  52      -2.102  -8.369  -5.617  1.00 15.83           C
ATOM    831  O   ASP A  52      -2.749  -7.325  -5.686  1.00 17.21           O
ATOM    832  CB  ASP A  52       0.352  -8.605  -6.061  1.00 21.05           C
ATOM    833  CG  ASP A  52       1.751  -8.171  -5.648  1.00 25.12           C
ATOM    834  OD1 ASP A  52       1.876  -7.274  -4.772  1.00 28.37           O
ATOM    835  OD2 ASP A  52       2.809  -8.557  -6.213  1.00 25.82           O
ATOM      0  H   ASP A  52       0.007 -10.175  -4.204  1.00 12.71           H   new
ATOM      0  HA  ASP A  52      -0.705  -7.443  -4.521  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       0.387  -9.658  -6.342  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       0.067  -8.046  -6.953  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -2.666  -9.509  -6.054  1.00 15.00           N
ATOM    841  CA  GLY A  53      -4.005  -9.421  -6.546  1.00 11.77           C
ATOM    842  C   GLY A  53      -5.124  -9.450  -5.563  1.00 11.10           C
ATOM    843  O   GLY A  53      -6.213  -9.869  -5.952  1.00 11.25           O
ATOM      0  H   GLY A  53      -2.232 -10.432  -6.069  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -4.089  -8.496  -7.117  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -4.156 -10.243  -7.246  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -4.956  -9.076  -4.282  1.00  8.53           N
ATOM    848  CA  ARG A  54      -6.001  -9.005  -3.308  1.00  9.05           C
ATOM    849  C   ARG A  54      -6.630  -7.655  -3.293  1.00  8.96           C
ATOM    850  O   ARG A  54      -6.038  -6.690  -3.775  1.00 11.60           O
ATOM    851  CB  ARG A  54      -5.607  -9.352  -1.863  1.00  7.97           C
ATOM    852  CG  ARG A  54      -4.725 -10.558  -1.535  1.00  9.62           C
ATOM    853  CD  ARG A  54      -5.363 -11.901  -1.896  1.00 12.20           C
ATOM    854  NE  ARG A  54      -4.481 -12.983  -1.374  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -4.814 -14.302  -1.477  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -5.857 -14.744  -2.239  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -4.003 -15.290  -0.997  1.00 25.50           N
ATOM      0  H   ARG A  54      -4.046  -8.810  -3.907  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -6.694  -9.779  -3.638  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -5.106  -8.475  -1.453  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -6.535  -9.479  -1.305  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -3.779 -10.460  -2.067  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -4.494 -10.550  -0.470  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -6.360 -11.979  -1.462  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -5.478 -11.991  -2.976  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -3.601 -12.729  -0.926  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -6.425 -14.077  -2.762  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -6.068 -15.741  -2.285  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -3.120 -15.051  -0.546  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -4.280 -16.267  -1.089  1.00 25.50           H   new
ATOM    871  N   THR A  55      -7.788  -7.443  -2.642  1.00  9.05           N
ATOM    872  CA  THR A  55      -8.414  -6.178  -2.412  1.00  9.03           C
ATOM    873  C   THR A  55      -8.035  -5.479  -1.152  1.00  8.15           C
ATOM    874  O   THR A  55      -7.488  -6.065  -0.219  1.00  5.91           O
ATOM    875  CB  THR A  55      -9.906  -6.210  -2.570  1.00 11.15           C
ATOM    876  OG1 THR A  55     -10.576  -6.890  -1.519  1.00 11.95           O
ATOM    877  CG2 THR A  55     -10.335  -6.836  -3.907  1.00 11.71           C
ATOM      0  H   THR A  55      -8.326  -8.215  -2.247  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -7.995  -5.572  -3.216  1.00  9.03           H   new
ATOM      0  HB  THR A  55     -10.201  -5.161  -2.541  1.00 11.15           H   new
ATOM      0  HG1 THR A  55     -10.529  -7.857  -1.672  1.00 11.95           H   new
ATOM      0 HG21 THR A  55     -11.423  -6.837  -3.976  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -9.920  -6.255  -4.731  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -9.967  -7.860  -3.964  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -8.378  -4.186  -1.016  1.00  6.91           N
ATOM    886  CA  LEU A  56      -8.502  -3.494   0.229  1.00  8.29           C
ATOM    887  C   LEU A  56      -9.417  -4.148   1.207  1.00  8.05           C
ATOM    888  O   LEU A  56      -9.162  -4.161   2.410  1.00 10.17           O
ATOM    889  CB  LEU A  56      -8.869  -2.017   0.008  1.00  6.60           C
ATOM    890  CG  LEU A  56      -7.846  -1.130  -0.721  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -6.459  -1.338  -0.089  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -7.781  -1.417  -2.231  1.00  9.85           C
ATOM      0  H   LEU A  56      -8.580  -3.591  -1.819  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -7.516  -3.542   0.690  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -9.803  -1.983  -0.553  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -9.066  -1.571   0.983  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -8.167  -0.094  -0.610  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -5.728  -0.712  -0.601  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -6.495  -1.065   0.966  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -6.170  -2.385  -0.183  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -7.043  -0.762  -2.694  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -7.496  -2.457  -2.392  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -8.758  -1.236  -2.678  1.00  9.85           H   new
ATOM    904  N   SER A  57     -10.456  -4.819   0.680  1.00  8.92           N
ATOM    905  CA  SER A  57     -11.500  -5.272   1.546  1.00  9.00           C
ATOM    906  C   SER A  57     -11.028  -6.452   2.324  1.00  9.44           C
ATOM    907  O   SER A  57     -11.394  -6.650   3.482  1.00 10.91           O
ATOM    908  CB  SER A  57     -12.753  -5.640   0.735  1.00 10.32           C
ATOM    909  OG  SER A  57     -13.467  -4.485   0.317  1.00 13.59           O
ATOM      0  H   SER A  57     -10.574  -5.042  -0.308  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -11.761  -4.468   2.234  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -12.463  -6.224  -0.138  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -13.405  -6.272   1.339  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -12.972  -4.036  -0.400  1.00 13.59           H   new
ATOM    915  N   ASP A  58     -10.319  -7.340   1.605  1.00  9.11           N
ATOM    916  CA  ASP A  58      -9.754  -8.574   2.055  1.00  7.91           C
ATOM    917  C   ASP A  58      -8.985  -8.488   3.328  1.00  9.12           C
ATOM    918  O   ASP A  58      -9.038  -9.493   4.036  1.00  8.61           O
ATOM    919  CB  ASP A  58      -8.933  -9.232   0.933  1.00  8.41           C
ATOM    920  CG  ASP A  58      -9.886  -9.659  -0.173  1.00 11.50           C
ATOM    921  OD1 ASP A  58     -10.919 -10.321   0.114  1.00 11.70           O
ATOM    922  OD2 ASP A  58      -9.653  -9.242  -1.339  1.00 10.05           O
ATOM      0  H   ASP A  58     -10.124  -7.177   0.617  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -10.602  -9.213   2.301  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -8.192  -8.533   0.546  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -8.388 -10.094   1.318  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -8.264  -7.400   3.652  1.00  7.97           N
ATOM    928  CA  TYR A  59      -7.505  -7.217   4.849  1.00  8.45           C
ATOM    929  C   TYR A  59      -8.271  -6.281   5.720  1.00 10.98           C
ATOM    930  O   TYR A  59      -7.746  -6.006   6.798  1.00 12.95           O
ATOM    931  CB  TYR A  59      -6.136  -6.565   4.587  1.00  7.94           C
ATOM    932  CG  TYR A  59      -5.328  -7.441   3.693  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -4.731  -8.551   4.241  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -5.000  -7.095   2.403  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -3.927  -9.389   3.504  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -4.146  -7.917   1.706  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -3.569  -9.054   2.219  1.00  6.76           C
ATOM    938  OH  TYR A  59      -2.788  -9.957   1.467  1.00  7.63           O
ATOM      0  H   TYR A  59      -8.209  -6.592   3.032  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -7.340  -8.196   5.298  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -6.270  -5.585   4.128  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -5.611  -6.407   5.529  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -4.899  -8.773   5.285  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -5.403  -6.201   1.949  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -3.575 -10.314   3.936  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -3.913  -7.651   0.686  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -2.983 -10.874   1.752  1.00  7.63           H   new
ATOM    948  N   ASN A  60      -9.442  -5.770   5.303  1.00 12.38           N
ATOM    949  CA  ASN A  60     -10.381  -4.974   6.031  1.00 13.94           C
ATOM    950  C   ASN A  60      -9.737  -3.640   6.189  1.00 14.16           C
ATOM    951  O   ASN A  60      -9.663  -3.034   7.257  1.00 14.26           O
ATOM    952  CB  ASN A  60     -10.803  -5.499   7.414  1.00 19.23           C
ATOM    953  CG  ASN A  60     -11.367  -6.903   7.247  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -10.919  -7.838   7.909  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -12.370  -7.085   6.346  1.00 24.09           N
ATOM      0  H   ASN A  60      -9.764  -5.935   4.349  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -11.312  -4.971   5.464  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60      -9.949  -5.512   8.091  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -11.550  -4.841   7.857  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -12.768  -8.014   6.207  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -12.724  -6.293   5.810  1.00 24.09           H   new
ATOM    962  N   ILE A  61      -9.159  -3.087   5.108  1.00 11.08           N
ATOM    963  CA  ILE A  61      -8.681  -1.742   5.037  1.00 11.78           C
ATOM    964  C   ILE A  61      -9.827  -0.841   4.730  1.00 13.74           C
ATOM    965  O   ILE A  61     -10.325  -0.824   3.605  1.00 14.60           O
ATOM    966  CB  ILE A  61      -7.645  -1.556   3.968  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -6.494  -2.535   4.254  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -7.170  -0.110   3.748  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -5.678  -2.865   3.005  1.00 11.42           C
ATOM      0  H   ILE A  61      -9.018  -3.604   4.240  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -8.224  -1.507   5.998  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -8.110  -1.784   3.009  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -5.836  -2.106   5.010  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -6.901  -3.456   4.671  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -6.423  -0.089   2.955  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -8.018   0.512   3.464  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -6.731   0.273   4.669  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -4.879  -3.560   3.265  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -6.326  -3.321   2.257  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -5.245  -1.950   2.601  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -10.240  -0.096   5.771  1.00 13.97           N
ATOM    982  CA  GLN A  62     -11.389   0.740   5.608  1.00 15.52           C
ATOM    983  C   GLN A  62     -10.991   2.135   5.267  1.00 13.94           C
ATOM    984  O   GLN A  62      -9.816   2.323   4.955  1.00 12.15           O
ATOM    985  CB  GLN A  62     -12.151   0.763   6.944  1.00 19.53           C
ATOM    986  CG  GLN A  62     -12.488  -0.642   7.447  1.00 26.38           C
ATOM    987  CD  GLN A  62     -13.543  -0.677   8.543  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -14.656  -1.028   8.153  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -13.356  -0.123   9.771  1.00 32.71           N
ATOM      0  H   GLN A  62      -9.800  -0.070   6.691  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -12.006   0.347   4.800  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -11.551   1.280   7.693  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -13.072   1.334   6.824  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -12.834  -1.243   6.606  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -11.577  -1.110   7.820  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -12.421   0.158  10.067  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -14.151   0.011  10.396  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -11.845   3.166   5.146  1.00 11.73           N
ATOM    999  CA  LYS A  63     -11.385   4.474   4.796  1.00 11.97           C
ATOM   1000  C   LYS A  63     -10.515   5.081   5.843  1.00 10.41           C
ATOM   1001  O   LYS A  63     -10.826   4.959   7.027  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -12.519   5.425   4.377  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -13.337   5.913   5.574  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -14.502   6.774   5.082  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -15.279   7.353   6.266  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -14.511   8.457   6.885  1.00 25.97           N
ATOM      0  H   LYS A  63     -12.852   3.095   5.290  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -10.763   4.329   3.913  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -12.097   6.283   3.854  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -13.177   4.915   3.673  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -13.714   5.062   6.141  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -12.705   6.490   6.249  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -14.125   7.583   4.457  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -15.168   6.175   4.461  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -16.250   7.718   5.931  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -15.469   6.573   7.003  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -15.106   8.943   7.586  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -13.667   8.072   7.354  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -14.221   9.133   6.150  1.00 25.97           H   new
ATOM   1020  N   GLU A  64      -9.442   5.825   5.521  1.00 10.04           N
ATOM   1021  CA  GLU A  64      -8.579   6.557   6.395  1.00 10.94           C
ATOM   1022  C   GLU A  64      -7.552   5.718   7.075  1.00  9.74           C
ATOM   1023  O   GLU A  64      -6.932   6.087   8.071  1.00  9.42           O
ATOM   1024  CB  GLU A  64      -9.344   7.584   7.247  1.00 18.31           C
ATOM   1025  CG  GLU A  64      -8.620   8.790   7.848  1.00 24.16           C
ATOM   1026  CD  GLU A  64      -9.561   9.882   8.334  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -10.139  10.665   7.534  1.00 31.72           O
ATOM   1028  OE2 GLU A  64      -9.780   9.991   9.570  1.00 32.61           O
ATOM      0  H   GLU A  64      -9.152   5.922   4.548  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -7.941   7.188   5.777  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -10.156   7.971   6.632  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64      -9.801   7.039   8.073  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64      -8.003   8.455   8.682  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64      -7.946   9.208   7.101  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -7.267   4.540   6.492  1.00  6.85           N
ATOM   1036  CA  SER A  65      -6.423   3.472   6.931  1.00  6.90           C
ATOM   1037  C   SER A  65      -4.978   3.715   6.660  1.00  4.72           C
ATOM   1038  O   SER A  65      -4.737   4.328   5.621  1.00  3.91           O
ATOM   1039  CB  SER A  65      -6.936   2.116   6.417  1.00  7.28           C
ATOM   1040  OG  SER A  65      -8.130   1.595   6.983  1.00 10.56           O
ATOM      0  H   SER A  65      -7.688   4.311   5.592  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -6.484   3.435   8.019  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -7.087   2.203   5.341  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -6.146   1.381   6.570  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -8.899   1.890   6.452  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -4.045   3.283   7.527  1.00  4.48           N
ATOM   1047  CA  THR A  66      -2.635   3.517   7.498  1.00  3.80           C
ATOM   1048  C   THR A  66      -1.824   2.406   6.927  1.00  4.60           C
ATOM   1049  O   THR A  66      -1.583   1.358   7.524  1.00  5.33           O
ATOM   1050  CB  THR A  66      -2.139   3.785   8.889  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -2.792   4.896   9.485  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -0.612   3.965   8.896  1.00  3.40           C
ATOM      0  H   THR A  66      -4.309   2.711   8.330  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -2.505   4.374   6.837  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -2.384   2.914   9.496  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -2.441   5.035  10.389  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -0.273   4.158   9.914  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -0.137   3.058   8.521  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -0.342   4.806   8.258  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -1.364   2.514   5.668  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -0.629   1.514   4.958  1.00  3.85           C
ATOM   1062  C   LEU A  67       0.822   1.849   5.000  1.00  3.80           C
ATOM   1063  O   LEU A  67       1.259   2.980   4.792  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -0.987   1.493   3.462  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -2.228   0.609   3.256  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -3.562   1.203   3.739  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -2.302   0.346   1.743  1.00  8.12           C
ATOM      0  H   LEU A  67      -1.516   3.355   5.111  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -0.867   0.559   5.427  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -1.183   2.505   3.108  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -0.150   1.108   2.880  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -2.105  -0.287   3.864  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -4.367   0.495   3.544  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -3.505   1.402   4.809  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -3.760   2.133   3.207  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -3.167  -0.281   1.524  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -2.397   1.294   1.213  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -1.394  -0.162   1.417  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       1.681   0.879   5.361  1.00  2.94           N
ATOM   1080  CA  HIS A  68       3.070   1.181   5.516  1.00  4.17           C
ATOM   1081  C   HIS A  68       3.799   0.720   4.301  1.00  5.32           C
ATOM   1082  O   HIS A  68       3.518  -0.332   3.728  1.00  7.70           O
ATOM   1083  CB  HIS A  68       3.802   0.728   6.790  1.00  5.57           C
ATOM   1084  CG  HIS A  68       3.022   0.855   8.065  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       2.983   2.030   8.787  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       2.278  -0.035   8.775  1.00 12.79           C
ATOM   1087  CE1 HIS A  68       2.198   1.820   9.877  1.00 14.75           C
ATOM   1088  NE2 HIS A  68       1.745   0.580   9.889  1.00 16.30           N
ATOM      0  H   HIS A  68       1.423  -0.091   5.542  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       3.078   2.264   5.642  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       4.096  -0.314   6.667  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       4.719   1.309   6.887  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68       2.127  -1.070   8.506  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68       1.976   2.564  10.628  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68       1.125   0.161  10.583  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       4.808   1.512   3.895  1.00  5.29           N
ATOM   1097  CA  LEU A  69       5.492   1.318   2.655  1.00  3.97           C
ATOM   1098  C   LEU A  69       6.939   1.067   2.907  1.00  5.07           C
ATOM   1099  O   LEU A  69       7.675   1.971   3.298  1.00  4.34           O
ATOM   1100  CB  LEU A  69       5.254   2.549   1.764  1.00  6.08           C
ATOM   1101  CG  LEU A  69       5.840   2.516   0.343  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       5.527   1.225  -0.433  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       5.408   3.735  -0.489  1.00  6.87           C
ATOM      0  H   LEU A  69       5.155   2.302   4.439  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       5.107   0.442   2.133  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       4.178   2.702   1.681  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       5.662   3.420   2.277  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       6.919   2.547   0.494  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       5.975   1.279  -1.425  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       5.937   0.369   0.104  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       4.447   1.110  -0.528  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       5.846   3.669  -1.485  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       4.321   3.753  -0.571  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       5.751   4.648  -0.002  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       7.386  -0.200   2.838  1.00  4.29           N
ATOM   1116  CA  VAL A  70       8.774  -0.524   2.952  1.00  6.26           C
ATOM   1117  C   VAL A  70       9.341  -0.652   1.580  1.00  9.22           C
ATOM   1118  O   VAL A  70       8.935  -1.394   0.687  1.00  9.36           O
ATOM   1119  CB  VAL A  70       8.996  -1.748   3.790  1.00  8.69           C
ATOM   1120  CG1 VAL A  70      10.495  -1.882   4.108  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       8.285  -1.448   5.120  1.00  8.54           C
ATOM      0  H   VAL A  70       6.778  -1.008   2.702  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       9.298   0.276   3.475  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       8.641  -2.649   3.290  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70      10.660  -2.771   4.717  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70      11.058  -1.970   3.179  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70      10.831  -1.001   4.654  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       8.400  -2.297   5.794  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       8.725  -0.561   5.576  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       7.225  -1.272   4.935  1.00  8.54           H   new
ATOM   1131  N   LEU A  71      10.328   0.220   1.306  1.00 12.71           N
ATOM   1132  CA  LEU A  71      11.058   0.238   0.077  1.00 16.06           C
ATOM   1133  C   LEU A  71      12.143  -0.770   0.242  1.00 18.09           C
ATOM   1134  O   LEU A  71      12.776  -0.797   1.297  1.00 19.26           O
ATOM   1135  CB  LEU A  71      11.708   1.560  -0.368  1.00 17.10           C
ATOM   1136  CG  LEU A  71      10.818   2.814  -0.352  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      11.625   3.931  -1.037  1.00 19.57           C
ATOM   1138  CD2 LEU A  71       9.457   2.641  -1.046  1.00 17.51           C
ATOM      0  H   LEU A  71      10.628   0.939   1.965  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      10.324   0.043  -0.705  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      12.569   1.747   0.274  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      12.088   1.427  -1.381  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      10.569   3.045   0.684  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71      11.036   4.848  -1.052  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      12.549   4.103  -0.486  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      11.862   3.635  -2.059  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71       8.897   3.574  -0.986  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71       9.613   2.378  -2.092  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71       8.895   1.848  -0.552  1.00 17.51           H   new