CNRS Nantes University UFIP UFIP
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***  oussemma.kh@gmail.com  ***

elNémo ID: 220102193459138647

Job options:

ID        	=	 220102193459138647
JOBID     	=	 oussemma.kh@gmail.com
USERID    	=	 unknown
PRIVAT    	=	 0

NMODES    	=	 5
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 on

DOPROJMODS	=	 on
DORMSD    	=	 on

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0


Input data for this run:

HEADER oussemma.kh@gmail.com

ATOM      1  N   CYS A   1      -3.668  -4.708   2.475  1.00  2.24           N  
ATOM      2  CA  CYS A   1      -2.905  -5.927   2.673  1.00  1.85           C  
ATOM      3  C   CYS A   1      -1.780  -5.635   3.670  1.00  0.86           C  
ATOM      4  O   CYS A   1      -1.375  -4.485   3.834  1.00  1.06           O  
ATOM      5  CB  CYS A   1      -2.364  -6.477   1.351  1.00  2.60           C  
ATOM      6  SG  CYS A   1      -0.816  -7.442   1.496  1.00  2.39           S  
ATOM      7  N   THR A   2      -1.311  -6.695   4.311  1.00  0.73           N  
ATOM      8  CA  THR A   2      -0.242  -6.565   5.288  1.00  1.33           C  
ATOM      9  C   THR A   2       0.739  -7.734   5.163  1.00  1.35           C  
ATOM     10  O   THR A   2       1.509  -8.003   6.081  1.00  2.08           O  
ATOM     11  CB  THR A   2      -0.880  -6.455   6.674  1.00  2.38           C  
ATOM     12  CG2 THR A   2      -1.933  -5.347   6.747  1.00  2.68           C  
ATOM     13  OG1 THR A   2      -1.633  -7.657   6.807  1.00  3.11           O  
ATOM     14  N   THR A   3       0.677  -8.395   4.015  1.00  0.81           N  
ATOM     15  CA  THR A   3       1.551  -9.528   3.758  1.00  0.84           C  
ATOM     16  C   THR A   3       2.958  -9.246   4.286  1.00  0.82           C  
ATOM     17  O   THR A   3       3.423  -9.912   5.210  1.00  1.00           O  
ATOM     18  CB  THR A   3       1.513  -9.822   2.258  1.00  0.87           C  
ATOM     19  CG2 THR A   3       2.438 -10.976   1.863  1.00  1.07           C  
ATOM     20  OG1 THR A   3       0.202 -10.337   2.038  1.00  1.08           O  
ATOM     21  N   GLY A   4       3.598  -8.259   3.678  1.00  0.71           N  
ATOM     22  CA  GLY A   4       4.943  -7.881   4.074  1.00  0.76           C  
ATOM     23  C   GLY A   4       5.083  -6.359   4.164  1.00  0.59           C  
ATOM     24  O   GLY A   4       4.304  -5.700   4.850  1.00  0.64           O  
ATOM     25  N   PRO A   5       6.107  -5.832   3.440  1.00  0.53           N  
ATOM     26  CA  PRO A   5       6.358  -4.402   3.429  1.00  0.57           C  
ATOM     27  C   PRO A   5       5.326  -3.671   2.567  1.00  0.49           C  
ATOM     28  O   PRO A   5       5.510  -2.502   2.230  1.00  0.71           O  
ATOM     29  CB  PRO A   5       7.779  -4.256   2.909  1.00  0.70           C  
ATOM     30  CG  PRO A   5       8.104  -5.565   2.211  1.00  0.67           C  
ATOM     31  CD  PRO A   5       7.049  -6.583   2.615  1.00  0.58           C  
ATOM     32  N   CYS A   6       4.264  -4.389   2.235  1.00  0.40           N  
ATOM     33  CA  CYS A   6       3.203  -3.824   1.419  1.00  0.48           C  
ATOM     34  C   CYS A   6       3.800  -3.417   0.069  1.00  0.73           C  
ATOM     35  O   CYS A   6       3.276  -3.783  -0.980  1.00  1.58           O  
ATOM     36  CB  CYS A   6       2.519  -2.647   2.118  1.00  0.45           C  
ATOM     37  SG  CYS A   6       3.385  -1.044   1.947  1.00  0.57           S  
ATOM     38  N   CYS A   7       4.888  -2.664   0.142  1.00  0.44           N  
ATOM     39  CA  CYS A   7       5.561  -2.206  -1.060  1.00  0.47           C  
ATOM     40  C   CYS A   7       5.755  -3.404  -1.991  1.00  0.59           C  
ATOM     41  O   CYS A   7       6.368  -4.400  -1.608  1.00  0.94           O  
ATOM     42  CB  CYS A   7       6.889  -1.514  -0.737  1.00  0.48           C  
ATOM     43  SG  CYS A   7       6.848   0.312  -0.838  1.00  0.59           S  
ATOM     44  N   ARG A   8       5.219  -3.270  -3.195  1.00  0.48           N  
ATOM     45  CA  ARG A   8       5.324  -4.330  -4.184  1.00  0.58           C  
ATOM     46  C   ARG A   8       4.497  -5.541  -3.752  1.00  0.60           C  
ATOM     47  O   ARG A   8       4.485  -6.565  -4.434  1.00  0.78           O  
ATOM     48  CB  ARG A   8       6.780  -4.758  -4.379  1.00  0.70           C  
ATOM     49  CG  ARG A   8       6.863  -6.137  -5.034  1.00  1.05           C  
ATOM     50  CD  ARG A   8       6.064  -6.174  -6.340  1.00  1.30           C  
ATOM     51  NE  ARG A   8       5.657  -7.563  -6.646  1.00  1.93           N  
ATOM     52  CZ  ARG A   8       6.463  -8.476  -7.233  1.00  2.40           C  
ATOM     53  NH1 ARG A   8       7.725  -8.152  -7.581  1.00  2.44           N1+
ATOM     54  NH2 ARG A   8       5.994  -9.689  -7.460  1.00  3.30           N  
ATOM     55  N   GLN A   9       3.825  -5.388  -2.620  1.00  0.61           N  
ATOM     56  CA  GLN A   9       2.997  -6.458  -2.090  1.00  0.78           C  
ATOM     57  C   GLN A   9       1.593  -5.937  -1.778  1.00  0.86           C  
ATOM     58  O   GLN A   9       0.715  -5.948  -2.641  1.00  1.73           O  
ATOM     59  CB  GLN A   9       3.638  -7.083  -0.850  1.00  1.01           C  
ATOM     60  CG  GLN A   9       4.682  -8.131  -1.241  1.00  1.26           C  
ATOM     61  CD  GLN A   9       4.810  -9.206  -0.162  1.00  1.72           C  
ATOM     62  NE2 GLN A   9       4.977 -10.436  -0.640  1.00  2.06           N  
ATOM     63  OE1 GLN A   9       4.763  -8.938   1.028  1.00  2.31           O  
ATOM     64  N   CYS A  10       1.423  -5.489  -0.542  1.00  0.61           N  
ATOM     65  CA  CYS A  10       0.140  -4.965  -0.105  1.00  0.73           C  
ATOM     66  C   CYS A  10      -0.118  -3.650  -0.843  1.00  0.61           C  
ATOM     67  O   CYS A  10      -1.267  -3.256  -1.033  1.00  0.93           O  
ATOM     68  CB  CYS A  10       0.090  -4.787   1.414  1.00  1.06           C  
ATOM     69  SG  CYS A  10       0.781  -6.183   2.375  1.00  1.39           S  
ATOM     70  N   LYS A  11       0.971  -3.008  -1.241  1.00  0.55           N  
ATOM     71  CA  LYS A  11       0.876  -1.746  -1.955  1.00  0.46           C  
ATOM     72  C   LYS A  11       0.584  -2.021  -3.431  1.00  0.40           C  
ATOM     73  O   LYS A  11       1.098  -1.329  -4.308  1.00  0.56           O  
ATOM     74  CB  LYS A  11       2.133  -0.905  -1.723  1.00  0.50           C  
ATOM     75  CG  LYS A  11       3.088  -1.005  -2.915  1.00  0.65           C  
ATOM     76  CD  LYS A  11       2.872   0.154  -3.889  1.00  1.07           C  
ATOM     77  CE  LYS A  11       3.274  -0.241  -5.310  1.00  1.38           C  
ATOM     78  NZ  LYS A  11       3.326   0.951  -6.186  1.00  2.21           N1+
ATOM     79  N   LEU A  12      -0.241  -3.032  -3.660  1.00  0.51           N  
ATOM     80  CA  LEU A  12      -0.608  -3.406  -5.014  1.00  0.59           C  
ATOM     81  C   LEU A  12      -1.222  -2.198  -5.725  1.00  0.57           C  
ATOM     82  O   LEU A  12      -1.547  -2.267  -6.909  1.00  0.75           O  
ATOM     83  CB  LEU A  12      -1.517  -4.639  -5.003  1.00  0.78           C  
ATOM     84  CG  LEU A  12      -2.796  -4.521  -4.171  1.00  0.79           C  
ATOM     85  CD1 LEU A  12      -4.035  -4.777  -5.032  1.00  1.02           C  
ATOM     86  CD2 LEU A  12      -2.745  -5.442  -2.951  1.00  0.98           C  
ATOM     87  N   LYS A  13      -1.362  -1.118  -4.971  1.00  0.50           N  
ATOM     88  CA  LYS A  13      -1.930   0.105  -5.513  1.00  0.56           C  
ATOM     89  C   LYS A  13      -0.805   0.983  -6.066  1.00  0.59           C  
ATOM     90  O   LYS A  13       0.351   0.837  -5.673  1.00  0.64           O  
ATOM     91  CB  LYS A  13      -2.798   0.804  -4.465  1.00  0.68           C  
ATOM     92  CG  LYS A  13      -1.933   1.467  -3.391  1.00  0.92           C  
ATOM     93  CD  LYS A  13      -1.448   0.441  -2.366  1.00  0.51           C  
ATOM     94  CE  LYS A  13      -2.505  -0.641  -2.131  1.00  1.43           C  
ATOM     95  NZ  LYS A  13      -3.795  -0.030  -1.744  1.00  2.10           N1+
ATOM     96  N   PRO A  14      -1.194   1.902  -6.991  1.00  0.69           N  
ATOM     97  CA  PRO A  14      -0.233   2.804  -7.600  1.00  0.83           C  
ATOM     98  C   PRO A  14       0.176   3.910  -6.626  1.00  0.83           C  
ATOM     99  O   PRO A  14       0.070   5.093  -6.944  1.00  1.39           O  
ATOM    100  CB  PRO A  14      -0.926   3.335  -8.845  1.00  1.00           C  
ATOM    101  CG  PRO A  14      -2.408   3.075  -8.640  1.00  0.98           C  
ATOM    102  CD  PRO A  14      -2.555   2.103  -7.480  1.00  0.79           C  
ATOM    103  N   ALA A  15       0.634   3.485  -5.458  1.00  0.70           N  
ATOM    104  CA  ALA A  15       1.059   4.425  -4.433  1.00  0.71           C  
ATOM    105  C   ALA A  15      -0.148   5.236  -3.958  1.00  0.59           C  
ATOM    106  O   ALA A  15      -1.247   5.089  -4.492  1.00  0.80           O  
ATOM    107  CB  ALA A  15       2.176   5.312  -4.988  1.00  0.94           C  
ATOM    108  N   GLY A  16       0.096   6.070  -2.961  1.00  0.52           N  
ATOM    109  CA  GLY A  16      -0.958   6.904  -2.406  1.00  0.62           C  
ATOM    110  C   GLY A  16      -0.598   7.379  -0.997  1.00  0.77           C  
ATOM    111  O   GLY A  16      -1.435   7.348  -0.095  1.00  1.50           O  
ATOM    112  N   THR A  17       0.648   7.807  -0.851  1.00  0.63           N  
ATOM    113  CA  THR A  17       1.128   8.288   0.433  1.00  0.66           C  
ATOM    114  C   THR A  17       1.556   7.113   1.315  1.00  0.65           C  
ATOM    115  O   THR A  17       1.407   5.956   0.929  1.00  1.05           O  
ATOM    116  CB  THR A  17       0.027   9.148   1.058  1.00  0.85           C  
ATOM    117  CG2 THR A  17       0.583  10.213   2.004  1.00  1.03           C  
ATOM    118  OG1 THR A  17      -0.495   9.894  -0.038  1.00  1.03           O  
ATOM    119  N   THR A  18       2.080   7.454   2.484  1.00  0.69           N  
ATOM    120  CA  THR A  18       2.532   6.441   3.425  1.00  0.75           C  
ATOM    121  C   THR A  18       1.749   6.546   4.736  1.00  0.75           C  
ATOM    122  O   THR A  18       1.374   7.640   5.153  1.00  1.37           O  
ATOM    123  CB  THR A  18       4.042   6.603   3.603  1.00  0.91           C  
ATOM    124  CG2 THR A  18       4.410   7.196   4.965  1.00  0.90           C  
ATOM    125  OG1 THR A  18       4.529   5.265   3.665  1.00  1.14           O  
ATOM    126  N   CYS A  19       1.526   5.393   5.348  1.00  0.56           N  
ATOM    127  CA  CYS A  19       0.796   5.340   6.603  1.00  0.54           C  
ATOM    128  C   CYS A  19      -0.304   6.401   6.563  1.00  0.54           C  
ATOM    129  O   CYS A  19      -0.303   7.334   7.365  1.00  0.65           O  
ATOM    130  CB  CYS A  19       1.724   5.526   7.805  1.00  0.59           C  
ATOM    131  SG  CYS A  19       2.391   3.973   8.507  1.00  0.78           S  
ATOM    132  N   TRP A  20      -1.219   6.224   5.620  1.00  0.51           N  
ATOM    133  CA  TRP A  20      -2.324   7.154   5.465  1.00  0.61           C  
ATOM    134  C   TRP A  20      -3.621   6.345   5.418  1.00  0.61           C  
ATOM    135  O   TRP A  20      -4.481   6.495   6.285  1.00  0.96           O  
ATOM    136  CB  TRP A  20      -2.127   8.039   4.231  1.00  0.77           C  
ATOM    137  CG  TRP A  20      -2.855   9.382   4.306  1.00  1.04           C  
ATOM    138  CD1 TRP A  20      -2.421  10.527   4.850  1.00  1.70           C  
ATOM    139  CD2 TRP A  20      -4.172   9.675   3.794  1.00  1.52           C  
ATOM    140  CE2 TRP A  20      -4.457  10.999   4.064  1.00  1.62           C  
ATOM    141  CE3 TRP A  20      -5.092   8.850   3.125  1.00  2.45           C  
ATOM    142  NE1 TRP A  20      -3.358  11.534   4.727  1.00  1.79           N  
ATOM    143  CZ2 TRP A  20      -5.661  11.613   3.702  1.00  2.17           C  
ATOM    144  CZ3 TRP A  20      -6.292   9.480   2.769  1.00  3.18           C  
ATOM    145  CH2 TRP A  20      -6.593  10.810   3.034  1.00  2.95           C  
ATOM    146  N   LYS A  21      -3.721   5.505   4.399  1.00  0.48           N  
ATOM    147  CA  LYS A  21      -4.900   4.672   4.229  1.00  0.50           C  
ATOM    148  C   LYS A  21      -6.072   5.542   3.772  1.00  0.48           C  
ATOM    149  O   LYS A  21      -6.439   6.502   4.449  1.00  0.61           O  
ATOM    150  CB  LYS A  21      -5.183   3.878   5.505  1.00  0.76           C  
ATOM    151  CG  LYS A  21      -4.618   2.459   5.406  1.00  1.27           C  
ATOM    152  CD  LYS A  21      -4.496   1.819   6.790  1.00  2.06           C  
ATOM    153  CE  LYS A  21      -5.846   1.275   7.263  1.00  2.37           C  
ATOM    154  NZ  LYS A  21      -6.425   2.157   8.301  1.00  3.03           N1+
ATOM    155  N   THR A  22      -6.629   5.175   2.627  1.00  0.50           N  
ATOM    156  CA  THR A  22      -7.753   5.909   2.072  1.00  0.70           C  
ATOM    157  C   THR A  22      -9.072   5.235   2.454  1.00  1.03           C  
ATOM    158  O   THR A  22      -9.073   4.153   3.038  1.00  1.68           O  
ATOM    159  CB  THR A  22      -7.543   6.023   0.561  1.00  1.14           C  
ATOM    160  CG2 THR A  22      -6.334   6.888   0.199  1.00  1.38           C  
ATOM    161  OG1 THR A  22      -7.160   4.709   0.164  1.00  1.48           O  
ATOM    162  N   SER A  23     -10.162   5.903   2.108  1.00  1.53           N  
ATOM    163  CA  SER A  23     -11.486   5.382   2.409  1.00  1.98           C  
ATOM    164  C   SER A  23     -12.043   4.640   1.191  1.00  1.98           C  
ATOM    165  O   SER A  23     -13.230   4.318   1.147  1.00  2.54           O  
ATOM    166  CB  SER A  23     -12.437   6.503   2.828  1.00  2.41           C  
ATOM    167  OG  SER A  23     -12.707   6.479   4.227  1.00  2.72           O  
ATOM    168  N   ARG A  24     -11.160   4.405   0.237  1.00  0.00           N  
ATOM    169  CA  ARG A  24     -11.563   3.673  -0.961  1.00  0.00           C  
ATOM    170  C   ARG A  24     -10.813   2.367  -1.073  1.00  0.00           C  
ATOM    171  O   ARG A  24     -11.424   1.316  -1.296  1.00  0.00           O  
ATOM    172  CB  ARG A  24     -11.321   4.575  -2.204  1.00  0.00           C  
ATOM    173  CG  ARG A  24     -12.147   5.891  -2.248  1.00  0.00           C  
ATOM    174  CD  ARG A  24     -13.632   5.631  -2.548  1.00  0.00           C  
ATOM    175  NE  ARG A  24     -14.366   6.929  -2.616  1.00  0.00           N  
ATOM    176  CZ  ARG A  24     -15.675   7.063  -2.806  1.00  0.00           C  
ATOM    177  NH1 ARG A  24     -16.490   6.056  -2.953  1.00  0.00           N1+
ATOM    178  NH2 ARG A  24     -16.171   8.259  -2.849  1.00  0.00           N  
ATOM    179  N   THR A  25      -9.506   2.424  -0.838  1.00  1.09           N  
ATOM    180  CA  THR A  25      -8.677   1.232  -0.876  1.00  1.01           C  
ATOM    181  C   THR A  25      -7.918   1.066   0.441  1.00  1.08           C  
ATOM    182  O   THR A  25      -8.358   0.335   1.327  1.00  2.01           O  
ATOM    183  CB  THR A  25      -7.760   1.333  -2.098  1.00  0.81           C  
ATOM    184  CG2 THR A  25      -6.397   0.681  -1.860  1.00  0.77           C  
ATOM    185  OG1 THR A  25      -8.381   0.495  -3.068  1.00  1.02           O  
ATOM    186  N   SER A  26      -6.790   1.757   0.530  1.00  0.72           N  
ATOM    187  CA  SER A  26      -5.967   1.696   1.724  1.00  0.67           C  
ATOM    188  C   SER A  26      -4.502   1.949   1.363  1.00  0.64           C  
ATOM    189  O   SER A  26      -3.773   1.018   1.026  1.00  0.93           O  
ATOM    190  CB  SER A  26      -6.115   0.346   2.427  1.00  0.81           C  
ATOM    191  OG  SER A  26      -6.381  -0.708   1.507  1.00  1.37           O  
ATOM    192  N   HIS A  27      -4.114   3.214   1.445  1.00  0.45           N  
ATOM    193  CA  HIS A  27      -2.750   3.600   1.130  1.00  0.49           C  
ATOM    194  C   HIS A  27      -1.880   3.476   2.382  1.00  0.72           C  
ATOM    195  O   HIS A  27      -2.396   3.328   3.489  1.00  1.78           O  
ATOM    196  CB  HIS A  27      -2.709   5.001   0.517  1.00  0.61           C  
ATOM    197  CG  HIS A  27      -3.513   5.138  -0.753  1.00  0.91           C  
ATOM    198  CD2 HIS A  27      -3.998   6.246  -1.387  1.00  1.69           C  
ATOM    199  ND1 HIS A  27      -3.903   4.052  -1.515  1.00  1.66           N  
ATOM    200  CE1 HIS A  27      -4.589   4.496  -2.559  1.00  1.96           C  
ATOM    201  NE2 HIS A  27      -4.647   5.857  -2.477  1.00  1.91           N  
ATOM    202  N   TYR A  28      -0.574   3.538   2.166  1.00  0.40           N  
ATOM    203  CA  TYR A  28       0.372   3.435   3.263  1.00  0.33           C  
ATOM    204  C   TYR A  28       1.794   3.210   2.741  1.00  0.38           C  
ATOM    205  O   TYR A  28       2.631   2.641   3.440  1.00  0.67           O  
ATOM    206  CB  TYR A  28      -0.058   2.213   4.078  1.00  0.42           C  
ATOM    207  CG  TYR A  28      -0.415   2.529   5.531  1.00  0.52           C  
ATOM    208  CD1 TYR A  28      -1.476   3.365   5.814  1.00  1.25           C  
ATOM    209  CD2 TYR A  28       0.322   1.978   6.559  1.00  1.35           C  
ATOM    210  CE1 TYR A  28      -1.813   3.663   7.183  1.00  1.34           C  
ATOM    211  CE2 TYR A  28      -0.015   2.275   7.926  1.00  1.42           C  
ATOM    212  CZ  TYR A  28      -1.065   3.103   8.172  1.00  0.84           C  
ATOM    213  OH  TYR A  28      -1.383   3.384   9.464  1.00  1.02           O  
ATOM    214  N   CYS A  29       2.021   3.669   1.520  1.00  0.31           N  
ATOM    215  CA  CYS A  29       3.326   3.525   0.898  1.00  0.39           C  
ATOM    216  C   CYS A  29       3.231   4.037  -0.540  1.00  0.46           C  
ATOM    217  O   CYS A  29       2.264   4.706  -0.903  1.00  0.74           O  
ATOM    218  CB  CYS A  29       3.825   2.080   0.956  1.00  0.47           C  
ATOM    219  SG  CYS A  29       2.535   0.838   1.331  1.00  1.03           S  
ATOM    220  N   THR A  30       4.247   3.705  -1.322  1.00  0.50           N  
ATOM    221  CA  THR A  30       4.291   4.123  -2.714  1.00  0.65           C  
ATOM    222  C   THR A  30       4.520   2.916  -3.626  1.00  0.63           C  
ATOM    223  O   THR A  30       3.901   2.807  -4.683  1.00  0.86           O  
ATOM    224  CB  THR A  30       5.368   5.200  -2.849  1.00  0.80           C  
ATOM    225  CG2 THR A  30       5.649   5.567  -4.309  1.00  1.42           C  
ATOM    226  OG1 THR A  30       4.758   6.370  -2.309  1.00  1.46           O  
ATOM    227  N   GLY A  31       5.410   2.040  -3.183  1.00  0.51           N  
ATOM    228  CA  GLY A  31       5.729   0.846  -3.947  1.00  0.51           C  
ATOM    229  C   GLY A  31       7.243   0.688  -4.113  1.00  0.52           C  
ATOM    230  O   GLY A  31       7.876   1.461  -4.831  1.00  0.66           O  
ATOM    231  N   LYS A  32       7.778  -0.318  -3.436  1.00  0.45           N  
ATOM    232  CA  LYS A  32       9.205  -0.586  -3.501  1.00  0.56           C  
ATOM    233  C   LYS A  32       9.683  -1.096  -2.140  1.00  0.68           C  
ATOM    234  O   LYS A  32       9.509  -2.270  -1.817  1.00  1.69           O  
ATOM    235  CB  LYS A  32       9.960   0.650  -3.995  1.00  0.82           C  
ATOM    236  CG  LYS A  32      10.067   0.653  -5.521  1.00  1.55           C  
ATOM    237  CD  LYS A  32       9.907   2.069  -6.079  1.00  2.37           C  
ATOM    238  CE  LYS A  32      11.223   2.575  -6.674  1.00  3.06           C  
ATOM    239  NZ  LYS A  32      11.555   1.825  -7.906  1.00  3.83           N1+
ATOM    240  N   SER A  33      10.280  -0.190  -1.380  1.00  0.80           N  
ATOM    241  CA  SER A  33      10.786  -0.535  -0.062  1.00  0.96           C  
ATOM    242  C   SER A  33      10.209   0.419   0.986  1.00  0.91           C  
ATOM    243  O   SER A  33      10.927   1.258   1.529  1.00  1.36           O  
ATOM    244  CB  SER A  33      12.316  -0.493  -0.033  1.00  1.21           C  
ATOM    245  OG  SER A  33      12.823   0.779  -0.422  1.00  1.65           O  
ATOM    246  N   CYS A  34       8.918   0.258   1.238  1.00  0.76           N  
ATOM    247  CA  CYS A  34       8.236   1.094   2.211  1.00  0.71           C  
ATOM    248  C   CYS A  34       8.226   0.360   3.553  1.00  0.75           C  
ATOM    249  O   CYS A  34       8.843  -0.697   3.691  1.00  1.00           O  
ATOM    250  CB  CYS A  34       6.824   1.461   1.750  1.00  0.58           C  
ATOM    251  SG  CYS A  34       5.803   0.045   1.204  1.00  1.19           S  
ATOM    252  N   ASP A  35       7.521   0.946   4.507  1.00  0.65           N  
ATOM    253  CA  ASP A  35       7.423   0.362   5.834  1.00  0.76           C  
ATOM    254  C   ASP A  35       6.068   0.721   6.447  1.00  0.69           C  
ATOM    255  O   ASP A  35       5.964   0.926   7.655  1.00  0.99           O  
ATOM    256  CB  ASP A  35       8.517   0.902   6.757  1.00  1.00           C  
ATOM    257  CG  ASP A  35       9.018  -0.087   7.813  1.00  1.47           C  
ATOM    258  OD1 ASP A  35       8.288  -0.445   8.750  1.00  2.34           O  
ATOM    259  OD2 ASP A  35      10.229  -0.498   7.644  1.00  1.76           O1-
ATOM    260  N   CYS A  36       5.064   0.786   5.585  1.00  0.42           N  
ATOM    261  CA  CYS A  36       3.719   1.117   6.027  1.00  0.37           C  
ATOM    262  C   CYS A  36       2.732   0.225   5.271  1.00  0.36           C  
ATOM    263  O   CYS A  36       2.569   0.361   4.059  1.00  0.41           O  
ATOM    264  CB  CYS A  36       3.410   2.603   5.833  1.00  0.41           C  
ATOM    265  SG  CYS A  36       3.828   3.668   7.263  1.00  0.66           S  
ATOM    266  N   PRO A  37       2.082  -0.690   6.038  1.00  0.44           N  
ATOM    267  CA  PRO A  37       1.114  -1.603   5.454  1.00  0.48           C  
ATOM    268  C   PRO A  37      -0.198  -0.884   5.139  1.00  0.41           C  
ATOM    269  O   PRO A  37      -0.773  -0.225   6.003  1.00  0.54           O  
ATOM    270  CB  PRO A  37       0.951  -2.713   6.480  1.00  0.68           C  
ATOM    271  CG  PRO A  37       1.474  -2.149   7.791  1.00  0.75           C  
ATOM    272  CD  PRO A  37       2.249  -0.880   7.476  1.00  0.59           C  
ATOM    273  N   VAL A  38      -0.619  -1.039   3.904  1.00  0.00           N  
ATOM    274  CA  VAL A  38      -1.870  -0.412   3.488  1.00  0.00           C  
ATOM    275  C   VAL A  38      -3.028  -1.371   3.632  1.00  0.00           C  
ATOM    276  O   VAL A  38      -3.128  -2.388   2.950  1.00  0.00           O  
ATOM    277  CB  VAL A  38      -1.745   0.098   1.998  1.00  0.00           C  
ATOM    278  CG1 VAL A  38      -3.015   0.746   1.382  1.00  0.00           C  
ATOM    279  CG2 VAL A  38      -0.615   1.133   1.783  1.00  0.00           C  
ATOM    280  N   TYR A  39      -3.882  -1.052   4.612  1.00  0.66           N  
ATOM    281  CA  TYR A  39      -5.034  -1.887   4.911  1.00  0.81           C  
ATOM    282  C   TYR A  39      -4.633  -3.083   5.777  1.00  1.13           C  
ATOM    283  O   TYR A  39      -3.572  -3.672   5.576  1.00  1.40           O  
ATOM    284  CB  TYR A  39      -5.546  -2.397   3.563  1.00  1.04           C  
ATOM    285  CG  TYR A  39      -7.071  -2.439   3.452  1.00  1.66           C  
ATOM    286  CD1 TYR A  39      -7.837  -1.498   4.109  1.00  2.53           C  
ATOM    287  CD2 TYR A  39      -7.681  -3.418   2.694  1.00  2.29           C  
ATOM    288  CE1 TYR A  39      -9.272  -1.538   4.005  1.00  3.32           C  
ATOM    289  CE2 TYR A  39      -9.117  -3.457   2.589  1.00  3.09           C  
ATOM    290  CZ  TYR A  39      -9.842  -2.515   3.250  1.00  3.39           C  
ATOM    291  OH  TYR A  39     -11.197  -2.552   3.151  1.00  4.27           O  
ATOM    292  N   GLN A  40      -5.508  -3.411   6.709  1.00  0.00           N  
ATOM    293  CA  GLN A  40      -5.286  -4.518   7.633  1.00  0.00           C  
ATOM    294  C   GLN A  40      -5.508  -5.847   6.951  1.00  0.00           C  
ATOM    295  O   GLN A  40      -6.078  -5.907   5.846  1.00  0.00           O  
ATOM    296  CB  GLN A  40      -6.234  -4.351   8.842  1.00  0.00           C  
ATOM    297  CG  GLN A  40      -5.885  -3.198   9.840  1.00  0.00           C  
ATOM    298  CD  GLN A  40      -4.634  -3.324  10.719  1.00  0.00           C  
ATOM    299  NE2 GLN A  40      -4.655  -2.890  11.953  1.00  0.00           N  
ATOM    300  OE1 GLN A  40      -3.616  -3.849  10.295  1.00  0.00           O  
ATOM    301  N   GLY A  41      -5.034  -6.928   7.574  1.00  2.37           N  
ATOM    302  CA  GLY A  41      -5.175  -8.261   7.016  1.00  2.65           C  
ATOM    303  C   GLY A  41      -5.389  -9.298   8.121  1.00  3.32           C  
ATOM    304  O   GLY A  41      -4.427  -9.853   8.651  1.00  3.84           O  
END


A second structure was input as follows:


ATOM      1  N   CYS A   1      -3.668  -4.708   2.475  1.00  2.24           N  
ATOM      2  CA  CYS A   1      -2.905  -5.927   2.673  1.00  1.85           C  
ATOM      3  C   CYS A   1      -1.780  -5.635   3.670  1.00  0.86           C  
ATOM      4  O   CYS A   1      -1.375  -4.485   3.834  1.00  1.06           O  
ATOM      5  CB  CYS A   1      -2.364  -6.477   1.351  1.00  2.60           C  
ATOM      6  SG  CYS A   1      -0.816  -7.442   1.496  1.00  2.39           S  
ATOM      7  H   CYS A   1      -3.256  -3.883   2.864  1.00  2.07           H  
ATOM      8  HA  CYS A   1      -3.596  -6.668   3.075  1.00  2.36           H  
ATOM      9  HB2 CYS A   1      -3.127  -7.122   0.915  1.00  0.00           H  
ATOM     10  HB3 CYS A   1      -2.194  -5.644   0.670  1.00  3.04           H  
ATOM     11  N   THR A   2      -1.311  -6.695   4.311  1.00  0.73           N  
ATOM     12  CA  THR A   2      -0.242  -6.565   5.288  1.00  1.33           C  
ATOM     13  C   THR A   2       0.739  -7.734   5.163  1.00  1.35           C  
ATOM     14  O   THR A   2       1.509  -8.003   6.081  1.00  2.08           O  
ATOM     15  CB  THR A   2      -0.880  -6.455   6.674  1.00  2.38           C  
ATOM     16  CG2 THR A   2      -1.933  -5.347   6.747  1.00  2.68           C  
ATOM     17  OG1 THR A   2      -1.633  -7.657   6.807  1.00  3.11           O  
ATOM     18  H   THR A   2      -1.647  -7.626   4.172  1.00  1.11           H  
ATOM     19  HA  THR A   2       0.315  -5.655   5.069  1.00  1.70           H  
ATOM     20  HB  THR A   2      -0.120  -6.320   7.443  1.00  2.85           H  
ATOM     21  HG1 THR A   2      -2.373  -7.675   6.135  1.00  3.54           H  
ATOM     22 HG21 THR A   2      -2.052  -5.026   7.782  1.00  2.96           H  
ATOM     23 HG22 THR A   2      -1.614  -4.500   6.138  1.00  3.00           H  
ATOM     24 HG23 THR A   2      -2.885  -5.724   6.372  1.00  2.85           H  
ATOM     25  N   THR A   3       0.677  -8.395   4.015  1.00  0.81           N  
ATOM     26  CA  THR A   3       1.551  -9.528   3.758  1.00  0.84           C  
ATOM     27  C   THR A   3       2.958  -9.246   4.286  1.00  0.82           C  
ATOM     28  O   THR A   3       3.423  -9.912   5.210  1.00  1.00           O  
ATOM     29  CB  THR A   3       1.513  -9.822   2.258  1.00  0.87           C  
ATOM     30  CG2 THR A   3       2.438 -10.976   1.863  1.00  1.07           C  
ATOM     31  OG1 THR A   3       0.202 -10.337   2.038  1.00  1.08           O  
ATOM     32  H   THR A   3       0.047  -8.170   3.272  1.00  0.87           H  
ATOM     33  HA  THR A   3       1.169 -10.388   4.307  1.00  0.98           H  
ATOM     34  HB  THR A   3       1.739  -8.927   1.679  1.00  0.93           H  
ATOM     35  HG1 THR A   3       0.086 -11.200   2.529  1.00  1.46           H  
ATOM     36 HG21 THR A   3       1.843 -11.793   1.454  1.00  1.62           H  
ATOM     37 HG22 THR A   3       3.147 -10.631   1.111  1.00  1.52           H  
ATOM     38 HG23 THR A   3       2.979 -11.323   2.742  1.00  1.35           H  
ATOM     39  N   GLY A   4       3.598  -8.259   3.678  1.00  0.71           N  
ATOM     40  CA  GLY A   4       4.943  -7.881   4.074  1.00  0.76           C  
ATOM     41  C   GLY A   4       5.083  -6.359   4.164  1.00  0.59           C  
ATOM     42  O   GLY A   4       4.304  -5.700   4.850  1.00  0.64           O  
ATOM     43  H   GLY A   4       3.212  -7.723   2.927  1.00  0.70           H  
ATOM     44  HA2 GLY A   4       5.180  -8.327   5.040  1.00  0.98           H  
ATOM     45  HA3 GLY A   4       5.663  -8.275   3.356  1.00  0.83           H  
ATOM     46  N   PRO A   5       6.107  -5.832   3.440  1.00  0.53           N  
ATOM     47  CA  PRO A   5       6.358  -4.402   3.429  1.00  0.57           C  
ATOM     48  C   PRO A   5       5.326  -3.671   2.567  1.00  0.49           C  
ATOM     49  O   PRO A   5       5.510  -2.502   2.230  1.00  0.71           O  
ATOM     50  CB  PRO A   5       7.779  -4.256   2.909  1.00  0.70           C  
ATOM     51  CG  PRO A   5       8.104  -5.565   2.211  1.00  0.67           C  
ATOM     52  CD  PRO A   5       7.049  -6.583   2.615  1.00  0.58           C  
ATOM     53  HA  PRO A   5       6.260  -4.027   4.351  1.00  0.66           H  
ATOM     54  HB2 PRO A   5       7.845  -3.423   2.209  1.00  0.00           H  
ATOM     55  HB3 PRO A   5       8.475  -4.063   3.724  1.00  0.84           H  
ATOM     56  HG2 PRO A   5       8.031  -5.405   1.135  1.00  0.00           H  
ATOM     57  HG3 PRO A   5       9.097  -5.912   2.495  1.00  0.77           H  
ATOM     58  HD2 PRO A   5       6.554  -6.986   1.731  1.00  0.00           H  
ATOM     59  HD3 PRO A   5       7.489  -7.411   3.170  1.00  0.69           H  
ATOM     60  N   CYS A   6       4.264  -4.389   2.235  1.00  0.40           N  
ATOM     61  CA  CYS A   6       3.203  -3.824   1.419  1.00  0.48           C  
ATOM     62  C   CYS A   6       3.800  -3.417   0.069  1.00  0.73           C  
ATOM     63  O   CYS A   6       3.276  -3.783  -0.980  1.00  1.58           O  
ATOM     64  CB  CYS A   6       2.519  -2.647   2.118  1.00  0.45           C  
ATOM     65  SG  CYS A   6       3.385  -1.044   1.947  1.00  0.57           S  
ATOM     66  H   CYS A   6       4.122  -5.339   2.514  1.00  0.52           H  
ATOM     67  HA  CYS A   6       2.455  -4.605   1.291  1.00  0.54           H  
ATOM     68  HB2 CYS A   6       1.518  -2.539   1.698  1.00  0.00           H  
ATOM     69  HB3 CYS A   6       2.419  -2.880   3.178  1.00  0.53           H  
ATOM     70  N   CYS A   7       4.888  -2.664   0.142  1.00  0.44           N  
ATOM     71  CA  CYS A   7       5.561  -2.206  -1.060  1.00  0.47           C  
ATOM     72  C   CYS A   7       5.755  -3.404  -1.991  1.00  0.59           C  
ATOM     73  O   CYS A   7       6.368  -4.400  -1.608  1.00  0.94           O  
ATOM     74  CB  CYS A   7       6.889  -1.514  -0.737  1.00  0.48           C  
ATOM     75  SG  CYS A   7       6.848   0.312  -0.838  1.00  0.59           S  
ATOM     76  H   CYS A   7       5.308  -2.371   1.001  1.00  0.98           H  
ATOM     77  HA  CYS A   7       4.911  -1.460  -1.518  1.00  0.51           H  
ATOM     78  HB2 CYS A   7       7.177  -1.793   0.277  1.00  0.00           H  
ATOM     79  HB3 CYS A   7       7.651  -1.887  -1.421  1.00  0.51           H  
ATOM     80  N   ARG A   8       5.219  -3.270  -3.195  1.00  0.48           N  
ATOM     81  CA  ARG A   8       5.324  -4.330  -4.184  1.00  0.58           C  
ATOM     82  C   ARG A   8       4.497  -5.541  -3.752  1.00  0.60           C  
ATOM     83  O   ARG A   8       4.485  -6.565  -4.434  1.00  0.78           O  
ATOM     84  CB  ARG A   8       6.780  -4.758  -4.379  1.00  0.70           C  
ATOM     85  CG  ARG A   8       6.863  -6.137  -5.034  1.00  1.05           C  
ATOM     86  CD  ARG A   8       6.064  -6.174  -6.340  1.00  1.30           C  
ATOM     87  NE  ARG A   8       5.657  -7.563  -6.646  1.00  1.93           N  
ATOM     88  CZ  ARG A   8       6.463  -8.476  -7.233  1.00  2.40           C  
ATOM     89  NH1 ARG A   8       7.725  -8.152  -7.581  1.00  2.44           N1+
ATOM     90  NH2 ARG A   8       5.994  -9.689  -7.460  1.00  3.30           N  
ATOM     91  H   ARG A   8       4.721  -2.457  -3.499  1.00  0.57           H  
ATOM     92  HA  ARG A   8       4.931  -3.893  -5.102  1.00  0.67           H  
ATOM     93  HB2 ARG A   8       7.276  -4.032  -5.023  1.00  0.00           H  
ATOM     94  HB3 ARG A   8       7.290  -4.777  -3.416  1.00  1.09           H  
ATOM     95  HG2 ARG A   8       7.907  -6.359  -5.254  1.00  0.00           H  
ATOM     96  HG3 ARG A   8       6.479  -6.894  -4.349  1.00  1.57           H  
ATOM     97  HD2 ARG A   8       5.173  -5.556  -6.232  1.00  0.00           H  
ATOM     98  HD3 ARG A   8       6.667  -5.775  -7.155  1.00  1.61           H  
ATOM     99  HE  ARG A   8       4.728  -7.844  -6.403  1.00  2.43           H  
ATOM    100 HH11 ARG A   8       8.072  -7.230  -7.405  1.00  2.26           H  
ATOM    101 HH12 ARG A   8       8.315  -8.832  -8.015  1.00  2.97           H  
ATOM    102 HH21 ARG A   8       5.048  -9.924  -7.196  1.00  0.00           H  
ATOM    103 HH22 ARG A   8       6.587 -10.379  -7.898  1.00  0.00           H  
ATOM    104  N   GLN A   9       3.825  -5.388  -2.620  1.00  0.61           N  
ATOM    105  CA  GLN A   9       2.997  -6.458  -2.090  1.00  0.78           C  
ATOM    106  C   GLN A   9       1.593  -5.937  -1.778  1.00  0.86           C  
ATOM    107  O   GLN A   9       0.715  -5.948  -2.641  1.00  1.73           O  
ATOM    108  CB  GLN A   9       3.638  -7.083  -0.850  1.00  1.01           C  
ATOM    109  CG  GLN A   9       4.682  -8.131  -1.241  1.00  1.26           C  
ATOM    110  CD  GLN A   9       4.810  -9.206  -0.162  1.00  1.72           C  
ATOM    111  NE2 GLN A   9       4.977 -10.436  -0.640  1.00  2.06           N  
ATOM    112  OE1 GLN A   9       4.763  -8.938   1.028  1.00  2.31           O  
ATOM    113  H   GLN A   9       3.840  -4.552  -2.071  1.00  0.63           H  
ATOM    114  HA  GLN A   9       2.947  -7.205  -2.881  1.00  0.90           H  
ATOM    115  HB2 GLN A   9       4.127  -6.297  -0.274  1.00  0.00           H  
ATOM    116  HB3 GLN A   9       2.868  -7.544  -0.232  1.00  1.16           H  
ATOM    117  HG2 GLN A   9       4.377  -8.602  -2.175  1.00  0.00           H  
ATOM    118  HG3 GLN A   9       5.647  -7.647  -1.395  1.00  1.47           H  
ATOM    119 HE21 GLN A   9       5.008 -10.588  -1.628  1.00  2.27           H  
ATOM    120 HE22 GLN A   9       5.072 -11.209  -0.012  1.00  2.51           H  
ATOM    121  N   CYS A  10       1.423  -5.489  -0.542  1.00  0.61           N  
ATOM    122  CA  CYS A  10       0.140  -4.965  -0.105  1.00  0.73           C  
ATOM    123  C   CYS A  10      -0.118  -3.650  -0.843  1.00  0.61           C  
ATOM    124  O   CYS A  10      -1.267  -3.256  -1.033  1.00  0.93           O  
ATOM    125  CB  CYS A  10       0.090  -4.787   1.414  1.00  1.06           C  
ATOM    126  SG  CYS A  10       0.781  -6.183   2.375  1.00  1.39           S  
ATOM    127  H   CYS A  10       2.141  -5.483   0.155  1.00  1.16           H  
ATOM    128  HA  CYS A  10      -0.610  -5.712  -0.368  1.00  0.87           H  
ATOM    129  HB2 CYS A  10       0.652  -3.888   1.668  1.00  0.00           H  
ATOM    130  HB3 CYS A  10      -0.947  -4.635   1.714  1.00  1.75           H  
ATOM    131  N   LYS A  11       0.971  -3.008  -1.241  1.00  0.55           N  
ATOM    132  CA  LYS A  11       0.876  -1.746  -1.955  1.00  0.46           C  
ATOM    133  C   LYS A  11       0.584  -2.021  -3.431  1.00  0.40           C  
ATOM    134  O   LYS A  11       1.098  -1.329  -4.308  1.00  0.56           O  
ATOM    135  CB  LYS A  11       2.133  -0.905  -1.723  1.00  0.50           C  
ATOM    136  CG  LYS A  11       3.088  -1.005  -2.915  1.00  0.65           C  
ATOM    137  CD  LYS A  11       2.872   0.154  -3.889  1.00  1.07           C  
ATOM    138  CE  LYS A  11       3.274  -0.241  -5.310  1.00  1.38           C  
ATOM    139  NZ  LYS A  11       3.326   0.951  -6.186  1.00  2.21           N1+
ATOM    140  H   LYS A  11       1.902  -3.336  -1.083  1.00  0.79           H  
ATOM    141  HA  LYS A  11       0.037  -1.194  -1.532  1.00  0.57           H  
ATOM    142  HB2 LYS A  11       1.839   0.137  -1.595  1.00  0.00           H  
ATOM    143  HB3 LYS A  11       2.639  -1.241  -0.817  1.00  0.70           H  
ATOM    144  HG2 LYS A  11       4.113  -0.971  -2.548  1.00  0.00           H  
ATOM    145  HG3 LYS A  11       2.932  -1.952  -3.431  1.00  1.13           H  
ATOM    146  HD2 LYS A  11       1.816   0.426  -3.885  1.00  0.00           H  
ATOM    147  HD3 LYS A  11       3.458   1.016  -3.567  1.00  1.38           H  
ATOM    148  HE2 LYS A  11       4.259  -0.708  -5.285  1.00  0.00           H  
ATOM    149  HE3 LYS A  11       2.558  -0.961  -5.709  1.00  1.85           H  
ATOM    150  HZ1 LYS A  11       3.260   0.705  -7.167  1.00  2.66           H  
ATOM    151  HZ2 LYS A  11       2.569   1.598  -5.993  1.00  2.83           H  
ATOM    152  HZ3 LYS A  11       4.204   1.426  -6.030  1.00  0.00           H  
ATOM    153  N   LEU A  12      -0.241  -3.032  -3.660  1.00  0.51           N  
ATOM    154  CA  LEU A  12      -0.608  -3.406  -5.014  1.00  0.59           C  
ATOM    155  C   LEU A  12      -1.222  -2.198  -5.725  1.00  0.57           C  
ATOM    156  O   LEU A  12      -1.547  -2.267  -6.909  1.00  0.75           O  
ATOM    157  CB  LEU A  12      -1.517  -4.639  -5.003  1.00  0.78           C  
ATOM    158  CG  LEU A  12      -2.796  -4.521  -4.171  1.00  0.79           C  
ATOM    159  CD1 LEU A  12      -4.035  -4.777  -5.032  1.00  1.02           C  
ATOM    160  CD2 LEU A  12      -2.745  -5.442  -2.951  1.00  0.98           C  
ATOM    161  H   LEU A  12      -0.656  -3.589  -2.941  1.00  0.70           H  
ATOM    162  HA  LEU A  12       0.306  -3.687  -5.535  1.00  0.63           H  
ATOM    163  HB2 LEU A  12      -1.811  -4.840  -6.033  1.00  0.00           H  
ATOM    164  HB3 LEU A  12      -0.941  -5.485  -4.629  1.00  0.93           H  
ATOM    165  HG  LEU A  12      -2.869  -3.498  -3.800  1.00  0.83           H  
ATOM    166 HD11 LEU A  12      -4.212  -3.918  -5.678  1.00  1.33           H  
ATOM    167 HD12 LEU A  12      -3.875  -5.666  -5.643  1.00  1.52           H  
ATOM    168 HD13 LEU A  12      -4.900  -4.931  -4.387  1.00  1.53           H  
ATOM    169 HD21 LEU A  12      -3.739  -5.841  -2.755  1.00  1.44           H  
ATOM    170 HD22 LEU A  12      -2.056  -6.265  -3.147  1.00  1.31           H  
ATOM    171 HD23 LEU A  12      -2.401  -4.878  -2.085  1.00  1.45           H  
ATOM    172  N   LYS A  13      -1.362  -1.118  -4.971  1.00  0.50           N  
ATOM    173  CA  LYS A  13      -1.930   0.105  -5.513  1.00  0.56           C  
ATOM    174  C   LYS A  13      -0.805   0.983  -6.066  1.00  0.59           C  
ATOM    175  O   LYS A  13       0.351   0.837  -5.673  1.00  0.64           O  
ATOM    176  CB  LYS A  13      -2.798   0.804  -4.465  1.00  0.68           C  
ATOM    177  CG  LYS A  13      -1.933   1.467  -3.391  1.00  0.92           C  
ATOM    178  CD  LYS A  13      -1.448   0.441  -2.366  1.00  0.51           C  
ATOM    179  CE  LYS A  13      -2.505  -0.641  -2.131  1.00  1.43           C  
ATOM    180  NZ  LYS A  13      -3.795  -0.030  -1.744  1.00  2.10           N1+
ATOM    181  H   LYS A  13      -1.095  -1.068  -4.008  1.00  0.52           H  
ATOM    182  HA  LYS A  13      -2.584  -0.176  -6.338  1.00  0.66           H  
ATOM    183  HB2 LYS A  13      -3.395   1.570  -4.958  1.00  0.00           H  
ATOM    184  HB3 LYS A  13      -3.468   0.080  -4.001  1.00  1.17           H  
ATOM    185  HG2 LYS A  13      -1.066   1.922  -3.869  1.00  0.00           H  
ATOM    186  HG3 LYS A  13      -2.505   2.246  -2.889  1.00  1.72           H  
ATOM    187  HD2 LYS A  13      -0.540  -0.030  -2.742  1.00  0.00           H  
ATOM    188  HD3 LYS A  13      -1.220   0.941  -1.424  1.00  0.81           H  
ATOM    189  HE2 LYS A  13      -2.643  -1.209  -3.051  1.00  0.00           H  
ATOM    190  HE3 LYS A  13      -2.169  -1.322  -1.351  1.00  1.78           H  
ATOM    191  HZ1 LYS A  13      -4.025   0.771  -2.322  1.00  2.42           H  
ATOM    192  HZ2 LYS A  13      -4.566  -0.684  -1.828  1.00  2.36           H  
ATOM    193  HZ3 LYS A  13      -3.731   0.274  -0.783  1.00  0.00           H  
ATOM    194  N   PRO A  14      -1.194   1.902  -6.991  1.00  0.69           N  
ATOM    195  CA  PRO A  14      -0.233   2.804  -7.600  1.00  0.83           C  
ATOM    196  C   PRO A  14       0.176   3.910  -6.626  1.00  0.83           C  
ATOM    197  O   PRO A  14       0.070   5.093  -6.944  1.00  1.39           O  
ATOM    198  CB  PRO A  14      -0.926   3.335  -8.845  1.00  1.00           C  
ATOM    199  CG  PRO A  14      -2.408   3.075  -8.640  1.00  0.98           C  
ATOM    200  CD  PRO A  14      -2.555   2.103  -7.480  1.00  0.79           C  
ATOM    201  HA  PRO A  14       0.609   2.313  -7.826  1.00  0.89           H  
ATOM    202  HB2 PRO A  14      -0.736   4.402  -8.961  1.00  0.00           H  
ATOM    203  HB3 PRO A  14      -0.561   2.831  -9.741  1.00  1.14           H  
ATOM    204  HG2 PRO A  14      -2.883   4.016  -8.360  1.00  0.00           H  
ATOM    205  HG3 PRO A  14      -2.853   2.659  -9.544  1.00  1.11           H  
ATOM    206  HD2 PRO A  14      -3.186   2.534  -6.703  1.00  0.00           H  
ATOM    207  HD3 PRO A  14      -3.002   1.164  -7.805  1.00  0.82           H  
ATOM    208  N   ALA A  15       0.634   3.485  -5.458  1.00  0.70           N  
ATOM    209  CA  ALA A  15       1.059   4.425  -4.433  1.00  0.71           C  
ATOM    210  C   ALA A  15      -0.148   5.236  -3.958  1.00  0.59           C  
ATOM    211  O   ALA A  15      -1.247   5.089  -4.492  1.00  0.80           O  
ATOM    212  CB  ALA A  15       2.176   5.312  -4.988  1.00  0.94           C  
ATOM    213  H   ALA A  15       0.717   2.520  -5.206  1.00  1.05           H  
ATOM    214  HA  ALA A  15       1.452   3.848  -3.596  1.00  0.77           H  
ATOM    215  HB1 ALA A  15       2.496   6.014  -4.218  1.00  1.33           H  
ATOM    216  HB2 ALA A  15       3.020   4.692  -5.287  1.00  1.44           H  
ATOM    217  HB3 ALA A  15       1.807   5.865  -5.852  1.00  1.43           H  
ATOM    218  N   GLY A  16       0.096   6.070  -2.961  1.00  0.52           N  
ATOM    219  CA  GLY A  16      -0.958   6.904  -2.406  1.00  0.62           C  
ATOM    220  C   GLY A  16      -0.598   7.379  -0.997  1.00  0.77           C  
ATOM    221  O   GLY A  16      -1.435   7.348  -0.095  1.00  1.50           O  
ATOM    222  H   GLY A  16       0.993   6.183  -2.531  1.00  0.65           H  
ATOM    223  HA2 GLY A  16      -1.122   7.766  -3.054  1.00  0.76           H  
ATOM    224  HA3 GLY A  16      -1.893   6.344  -2.379  1.00  0.68           H  
ATOM    225  N   THR A  17       0.648   7.807  -0.851  1.00  0.63           N  
ATOM    226  CA  THR A  17       1.128   8.288   0.433  1.00  0.66           C  
ATOM    227  C   THR A  17       1.556   7.113   1.315  1.00  0.65           C  
ATOM    228  O   THR A  17       1.407   5.956   0.929  1.00  1.05           O  
ATOM    229  CB  THR A  17       0.027   9.148   1.058  1.00  0.85           C  
ATOM    230  CG2 THR A  17       0.583  10.213   2.004  1.00  1.03           C  
ATOM    231  OG1 THR A  17      -0.495   9.894  -0.038  1.00  1.03           O  
ATOM    232  H   THR A  17       1.322   7.830  -1.590  1.00  1.07           H  
ATOM    233  HA  THR A  17       2.014   8.899   0.262  1.00  0.76           H  
ATOM    234  HB  THR A  17      -0.712   8.526   1.563  1.00  0.95           H  
ATOM    235  HG1 THR A  17      -1.190  10.534   0.285  1.00  1.32           H  
ATOM    236 HG21 THR A  17       0.283   9.985   3.025  1.00  1.50           H  
ATOM    237 HG22 THR A  17       1.672  10.226   1.938  1.00  1.36           H  
ATOM    238 HG23 THR A  17       0.192  11.190   1.720  1.00  1.48           H  
ATOM    239  N   THR A  18       2.080   7.454   2.484  1.00  0.69           N  
ATOM    240  CA  THR A  18       2.532   6.441   3.425  1.00  0.75           C  
ATOM    241  C   THR A  18       1.749   6.546   4.736  1.00  0.75           C  
ATOM    242  O   THR A  18       1.374   7.640   5.153  1.00  1.37           O  
ATOM    243  CB  THR A  18       4.042   6.603   3.603  1.00  0.91           C  
ATOM    244  CG2 THR A  18       4.410   7.196   4.965  1.00  0.90           C  
ATOM    245  OG1 THR A  18       4.529   5.265   3.665  1.00  1.14           O  
ATOM    246  H   THR A  18       2.198   8.399   2.790  1.00  0.98           H  
ATOM    247  HA  THR A  18       2.317   5.461   3.001  1.00  0.79           H  
ATOM    248  HB  THR A  18       4.468   7.194   2.793  1.00  1.13           H  
ATOM    249  HG1 THR A  18       5.449   5.218   3.276  1.00  1.57           H  
ATOM    250 HG21 THR A  18       3.810   8.087   5.148  1.00  1.39           H  
ATOM    251 HG22 THR A  18       4.216   6.462   5.746  1.00  1.48           H  
ATOM    252 HG23 THR A  18       5.467   7.462   4.971  1.00  1.22           H  
ATOM    253  N   CYS A  19       1.526   5.393   5.348  1.00  0.56           N  
ATOM    254  CA  CYS A  19       0.796   5.340   6.603  1.00  0.54           C  
ATOM    255  C   CYS A  19      -0.304   6.401   6.563  1.00  0.54           C  
ATOM    256  O   CYS A  19      -0.303   7.334   7.365  1.00  0.65           O  
ATOM    257  CB  CYS A  19       1.724   5.526   7.805  1.00  0.59           C  
ATOM    258  SG  CYS A  19       2.391   3.973   8.507  1.00  0.78           S  
ATOM    259  H   CYS A  19       1.835   4.507   5.001  1.00  1.02           H  
ATOM    260  HA  CYS A  19       0.368   4.340   6.675  1.00  0.58           H  
ATOM    261  HB2 CYS A  19       2.564   6.146   7.492  1.00  0.00           H  
ATOM    262  HB3 CYS A  19       1.181   6.057   8.587  1.00  0.86           H  
ATOM    263  N   TRP A  20      -1.219   6.224   5.620  1.00  0.51           N  
ATOM    264  CA  TRP A  20      -2.324   7.154   5.465  1.00  0.61           C  
ATOM    265  C   TRP A  20      -3.621   6.345   5.418  1.00  0.61           C  
ATOM    266  O   TRP A  20      -4.481   6.495   6.285  1.00  0.96           O  
ATOM    267  CB  TRP A  20      -2.127   8.039   4.231  1.00  0.77           C  
ATOM    268  CG  TRP A  20      -2.855   9.382   4.306  1.00  1.04           C  
ATOM    269  CD1 TRP A  20      -2.421  10.527   4.850  1.00  1.70           C  
ATOM    270  CD2 TRP A  20      -4.172   9.675   3.794  1.00  1.52           C  
ATOM    271  CE2 TRP A  20      -4.457  10.999   4.064  1.00  1.62           C  
ATOM    272  CE3 TRP A  20      -5.092   8.850   3.125  1.00  2.45           C  
ATOM    273  NE1 TRP A  20      -3.358  11.534   4.727  1.00  1.79           N  
ATOM    274  CZ2 TRP A  20      -5.661  11.613   3.702  1.00  2.17           C  
ATOM    275  CZ3 TRP A  20      -6.292   9.480   2.769  1.00  3.18           C  
ATOM    276  CH2 TRP A  20      -6.593  10.810   3.034  1.00  2.95           C  
ATOM    277  H   TRP A  20      -1.214   5.463   4.972  1.00  0.53           H  
ATOM    278  HA  TRP A  20      -2.328   7.816   6.332  1.00  0.75           H  
ATOM    279  HB2 TRP A  20      -1.061   8.233   4.113  1.00  0.00           H  
ATOM    280  HB3 TRP A  20      -2.472   7.498   3.350  1.00  0.84           H  
ATOM    281  HD1 TRP A  20      -1.450  10.649   5.329  1.00  2.37           H  
ATOM    282  HE1 TRP A  20      -3.256  12.557   5.084  1.00  2.36           H  
ATOM    283  HE3 TRP A  20      -4.892   7.802   2.900  1.00  2.75           H  
ATOM    284  HZ2 TRP A  20      -5.862  12.662   3.926  1.00  2.26           H  
ATOM    285  HZ3 TRP A  20      -7.041   8.885   2.247  1.00  4.08           H  
ATOM    286  HH2 TRP A  20      -7.552  11.227   2.723  1.00  3.57           H  
ATOM    287  N   LYS A  21      -3.721   5.505   4.399  1.00  0.48           N  
ATOM    288  CA  LYS A  21      -4.900   4.672   4.229  1.00  0.50           C  
ATOM    289  C   LYS A  21      -6.072   5.542   3.772  1.00  0.48           C  
ATOM    290  O   LYS A  21      -6.439   6.502   4.449  1.00  0.61           O  
ATOM    291  CB  LYS A  21      -5.183   3.878   5.505  1.00  0.76           C  
ATOM    292  CG  LYS A  21      -4.618   2.459   5.406  1.00  1.27           C  
ATOM    293  CD  LYS A  21      -4.496   1.819   6.790  1.00  2.06           C  
ATOM    294  CE  LYS A  21      -5.846   1.275   7.263  1.00  2.37           C  
ATOM    295  NZ  LYS A  21      -6.425   2.157   8.301  1.00  3.03           N1+
ATOM    296  H   LYS A  21      -3.017   5.390   3.699  1.00  0.63           H  
ATOM    297  HA  LYS A  21      -4.678   3.951   3.443  1.00  0.54           H  
ATOM    298  HB2 LYS A  21      -4.712   4.386   6.347  1.00  0.00           H  
ATOM    299  HB3 LYS A  21      -6.259   3.834   5.679  1.00  1.13           H  
ATOM    300  HG2 LYS A  21      -5.290   1.854   4.797  1.00  0.00           H  
ATOM    301  HG3 LYS A  21      -3.639   2.488   4.927  1.00  1.80           H  
ATOM    302  HD2 LYS A  21      -3.784   0.996   6.736  1.00  0.00           H  
ATOM    303  HD3 LYS A  21      -4.127   2.556   7.505  1.00  2.64           H  
ATOM    304  HE2 LYS A  21      -6.528   1.229   6.414  1.00  0.00           H  
ATOM    305  HE3 LYS A  21      -5.719   0.269   7.663  1.00  2.60           H  
ATOM    306  HZ1 LYS A  21      -7.144   1.686   8.842  1.00  3.48           H  
ATOM    307  HZ2 LYS A  21      -5.726   2.480   8.960  1.00  3.38           H  
ATOM    308  HZ3 LYS A  21      -6.836   2.961   7.848  1.00  0.00           H  
ATOM    309  N   THR A  22      -6.629   5.175   2.627  1.00  0.50           N  
ATOM    310  CA  THR A  22      -7.753   5.909   2.072  1.00  0.70           C  
ATOM    311  C   THR A  22      -9.072   5.235   2.454  1.00  1.03           C  
ATOM    312  O   THR A  22      -9.073   4.153   3.038  1.00  1.68           O  
ATOM    313  CB  THR A  22      -7.543   6.023   0.561  1.00  1.14           C  
ATOM    314  CG2 THR A  22      -6.334   6.888   0.199  1.00  1.38           C  
ATOM    315  OG1 THR A  22      -7.160   4.709   0.164  1.00  1.48           O  
ATOM    316  H   THR A  22      -6.326   4.393   2.083  1.00  0.47           H  
ATOM    317  HA  THR A  22      -7.764   6.906   2.513  1.00  0.97           H  
ATOM    318  HB  THR A  22      -8.445   6.388   0.069  1.00  1.49           H  
ATOM    319  HG1 THR A  22      -7.737   4.032   0.619  1.00  1.93           H  
ATOM    320 HG21 THR A  22      -5.444   6.487   0.682  1.00  1.86           H  
ATOM    321 HG22 THR A  22      -6.196   6.886  -0.881  1.00  1.67           H  
ATOM    322 HG23 THR A  22      -6.504   7.909   0.542  1.00  1.86           H  
ATOM    323  N   SER A  23     -10.162   5.903   2.108  1.00  1.53           N  
ATOM    324  CA  SER A  23     -11.486   5.382   2.409  1.00  1.98           C  
ATOM    325  C   SER A  23     -12.043   4.640   1.191  1.00  1.98           C  
ATOM    326  O   SER A  23     -13.230   4.318   1.147  1.00  2.54           O  
ATOM    327  CB  SER A  23     -12.437   6.503   2.828  1.00  2.41           C  
ATOM    328  OG  SER A  23     -12.707   6.479   4.227  1.00  2.72           O  
ATOM    329  H   SER A  23     -10.153   6.783   1.633  1.00  2.00           H  
ATOM    330  HA  SER A  23     -11.343   4.696   3.242  1.00  2.26           H  
ATOM    331  HB2 SER A  23     -11.978   7.460   2.581  1.00  0.00           H  
ATOM    332  HB3 SER A  23     -13.374   6.410   2.277  1.00  2.69           H  
ATOM    333  HG  SER A  23     -11.983   5.982   4.706  1.00  2.88           H  
ATOM    334  N   LEU A  24     -11.161   4.390   0.235  1.00  1.55           N  
ATOM    335  CA  LEU A  24     -11.551   3.692  -0.980  1.00  1.71           C  
ATOM    336  C   LEU A  24     -10.812   2.355  -1.053  1.00  1.52           C  
ATOM    337  O   LEU A  24     -11.424   1.316  -1.296  1.00  1.92           O  
ATOM    338  CB  LEU A  24     -11.333   4.583  -2.203  1.00  1.92           C  
ATOM    339  CG  LEU A  24     -10.151   5.553  -2.125  1.00  2.32           C  
ATOM    340  CD1 LEU A  24      -9.438   5.656  -3.474  1.00  2.81           C  
ATOM    341  CD2 LEU A  24     -10.596   6.921  -1.605  1.00  2.91           C  
ATOM    342  H   LEU A  24     -10.198   4.656   0.279  1.00  1.29           H  
ATOM    343  HA  LEU A  24     -12.621   3.493  -0.912  1.00  2.06           H  
ATOM    344  HB2 LEU A  24     -11.168   3.930  -3.060  1.00  0.00           H  
ATOM    345  HB3 LEU A  24     -12.240   5.162  -2.373  1.00  2.07           H  
ATOM    346  HG  LEU A  24      -9.430   5.156  -1.411  1.00  2.66           H  
ATOM    347 HD11 LEU A  24      -8.831   6.562  -3.496  1.00  3.19           H  
ATOM    348 HD12 LEU A  24      -8.797   4.787  -3.615  1.00  3.01           H  
ATOM    349 HD13 LEU A  24     -10.178   5.696  -4.275  1.00  3.23           H  
ATOM    350 HD21 LEU A  24     -11.040   6.807  -0.617  1.00  3.21           H  
ATOM    351 HD22 LEU A  24      -9.734   7.584  -1.541  1.00  3.24           H  
ATOM    352 HD23 LEU A  24     -11.334   7.347  -2.287  1.00  3.35           H  
ATOM    353  N   THR A  25      -9.506   2.424  -0.838  1.00  1.09           N  
ATOM    354  CA  THR A  25      -8.677   1.232  -0.876  1.00  1.01           C  
ATOM    355  C   THR A  25      -7.918   1.066   0.441  1.00  1.08           C  
ATOM    356  O   THR A  25      -8.358   0.335   1.327  1.00  2.01           O  
ATOM    357  CB  THR A  25      -7.760   1.333  -2.098  1.00  0.81           C  
ATOM    358  CG2 THR A  25      -6.397   0.681  -1.860  1.00  0.77           C  
ATOM    359  OG1 THR A  25      -8.381   0.495  -3.068  1.00  1.02           O  
ATOM    360  H   THR A  25      -9.016   3.274  -0.640  1.00  1.04           H  
ATOM    361  HA  THR A  25      -9.328   0.363  -0.982  1.00  1.22           H  
ATOM    362  HB  THR A  25      -7.646   2.370  -2.414  1.00  0.82           H  
ATOM    363  HG1 THR A  25      -8.390   0.951  -3.958  1.00  1.26           H  
ATOM    364 HG21 THR A  25      -6.467  -0.019  -1.028  1.00  1.24           H  
ATOM    365 HG22 THR A  25      -6.088   0.146  -2.759  1.00  1.37           H  
ATOM    366 HG23 THR A  25      -5.662   1.451  -1.626  1.00  1.07           H  
ATOM    367  N   SER A  26      -6.790   1.757   0.530  1.00  0.72           N  
ATOM    368  CA  SER A  26      -5.967   1.696   1.724  1.00  0.67           C  
ATOM    369  C   SER A  26      -4.502   1.949   1.363  1.00  0.64           C  
ATOM    370  O   SER A  26      -3.773   1.018   1.026  1.00  0.93           O  
ATOM    371  CB  SER A  26      -6.115   0.346   2.427  1.00  0.81           C  
ATOM    372  OG  SER A  26      -6.381  -0.708   1.507  1.00  1.37           O  
ATOM    373  H   SER A  26      -6.440   2.350  -0.196  1.00  1.26           H  
ATOM    374  HA  SER A  26      -6.343   2.488   2.375  1.00  0.63           H  
ATOM    375  HB2 SER A  26      -5.186   0.122   2.951  1.00  0.00           H  
ATOM    376  HB3 SER A  26      -6.924   0.403   3.155  1.00  1.07           H  
ATOM    377  HG  SER A  26      -7.341  -0.982   1.567  1.00  1.86           H  
ATOM    378  N   HIS A  27      -4.114   3.214   1.445  1.00  0.45           N  
ATOM    379  CA  HIS A  27      -2.750   3.600   1.130  1.00  0.49           C  
ATOM    380  C   HIS A  27      -1.880   3.476   2.382  1.00  0.72           C  
ATOM    381  O   HIS A  27      -2.396   3.328   3.489  1.00  1.78           O  
ATOM    382  CB  HIS A  27      -2.709   5.001   0.517  1.00  0.61           C  
ATOM    383  CG  HIS A  27      -3.513   5.138  -0.753  1.00  0.91           C  
ATOM    384  CD2 HIS A  27      -3.998   6.246  -1.387  1.00  1.69           C  
ATOM    385  ND1 HIS A  27      -3.903   4.052  -1.515  1.00  1.66           N  
ATOM    386  CE1 HIS A  27      -4.589   4.496  -2.559  1.00  1.96           C  
ATOM    387  NE2 HIS A  27      -4.647   5.857  -2.477  1.00  1.91           N  
ATOM    388  H   HIS A  27      -4.714   3.965   1.718  1.00  0.54           H  
ATOM    389  HA  HIS A  27      -2.391   2.897   0.377  1.00  0.51           H  
ATOM    390  HB2 HIS A  27      -3.103   5.706   1.249  1.00  0.00           H  
ATOM    391  HB3 HIS A  27      -1.672   5.265   0.309  1.00  1.04           H  
ATOM    392  HD1 HIS A  27      -3.702   3.093  -1.314  1.00  2.31           H  
ATOM    393  HD2 HIS A  27      -3.873   7.276  -1.054  1.00  2.45           H  
ATOM    394  HE1 HIS A  27      -5.031   3.883  -3.343  1.00  2.68           H  
ATOM    395  HE2 HIS A  27      -5.108   6.467  -3.137  1.00  0.00           H  
ATOM    396  N   TYR A  28      -0.574   3.538   2.166  1.00  0.40           N  
ATOM    397  CA  TYR A  28       0.372   3.435   3.263  1.00  0.33           C  
ATOM    398  C   TYR A  28       1.794   3.210   2.741  1.00  0.38           C  
ATOM    399  O   TYR A  28       2.631   2.641   3.440  1.00  0.67           O  
ATOM    400  CB  TYR A  28      -0.058   2.213   4.078  1.00  0.42           C  
ATOM    401  CG  TYR A  28      -0.415   2.529   5.531  1.00  0.52           C  
ATOM    402  CD1 TYR A  28      -1.476   3.365   5.814  1.00  1.25           C  
ATOM    403  CD2 TYR A  28       0.322   1.978   6.559  1.00  1.35           C  
ATOM    404  CE1 TYR A  28      -1.813   3.663   7.183  1.00  1.34           C  
ATOM    405  CE2 TYR A  28      -0.015   2.275   7.926  1.00  1.42           C  
ATOM    406  CZ  TYR A  28      -1.065   3.103   8.172  1.00  0.84           C  
ATOM    407  OH  TYR A  28      -1.383   3.384   9.464  1.00  1.02           O  
ATOM    408  H   TYR A  28      -0.163   3.658   1.261  1.00  1.19           H  
ATOM    409  HA  TYR A  28       0.342   4.370   3.822  1.00  0.41           H  
ATOM    410  HB2 TYR A  28      -0.932   1.771   3.599  1.00  0.00           H  
ATOM    411  HB3 TYR A  28       0.746   1.478   4.063  1.00  0.50           H  
ATOM    412  HD1 TYR A  28      -2.059   3.800   5.003  1.00  2.10           H  
ATOM    413  HD2 TYR A  28       1.160   1.317   6.335  1.00  2.21           H  
ATOM    414  HE1 TYR A  28      -2.648   4.322   7.421  1.00  2.18           H  
ATOM    415  HE2 TYR A  28       0.559   1.846   8.748  1.00  2.28           H  
ATOM    416  HH  TYR A  28      -1.813   2.587   9.891  1.00  1.28           H  
ATOM    417  N   CYS A  29       2.021   3.669   1.520  1.00  0.31           N  
ATOM    418  CA  CYS A  29       3.326   3.525   0.898  1.00  0.39           C  
ATOM    419  C   CYS A  29       3.231   4.037  -0.540  1.00  0.46           C  
ATOM    420  O   CYS A  29       2.264   4.706  -0.903  1.00  0.74           O  
ATOM    421  CB  CYS A  29       3.825   2.080   0.956  1.00  0.47           C  
ATOM    422  SG  CYS A  29       2.535   0.838   1.331  1.00  1.03           S  
ATOM    423  H   CYS A  29       1.334   4.132   0.960  1.00  0.47           H  
ATOM    424  HA  CYS A  29       4.020   4.132   1.479  1.00  0.51           H  
ATOM    425  HB2 CYS A  29       4.265   1.834  -0.010  1.00  0.00           H  
ATOM    426  HB3 CYS A  29       4.606   2.011   1.714  1.00  1.17           H  
ATOM    427  N   THR A  30       4.247   3.705  -1.322  1.00  0.50           N  
ATOM    428  CA  THR A  30       4.291   4.123  -2.714  1.00  0.65           C  
ATOM    429  C   THR A  30       4.520   2.916  -3.626  1.00  0.63           C  
ATOM    430  O   THR A  30       3.901   2.807  -4.683  1.00  0.86           O  
ATOM    431  CB  THR A  30       5.368   5.200  -2.849  1.00  0.80           C  
ATOM    432  CG2 THR A  30       5.649   5.567  -4.309  1.00  1.42           C  
ATOM    433  OG1 THR A  30       4.758   6.370  -2.309  1.00  1.46           O  
ATOM    434  H   THR A  30       5.031   3.160  -1.020  1.00  0.59           H  
ATOM    435  HA  THR A  30       3.321   4.543  -2.976  1.00  0.72           H  
ATOM    436  HB  THR A  30       6.284   4.902  -2.339  1.00  1.26           H  
ATOM    437  HG1 THR A  30       5.334   7.169  -2.485  1.00  2.02           H  
ATOM    438 HG21 THR A  30       6.481   6.269  -4.353  1.00  1.83           H  
ATOM    439 HG22 THR A  30       5.903   4.665  -4.866  1.00  2.08           H  
ATOM    440 HG23 THR A  30       4.762   6.027  -4.744  1.00  1.88           H  
ATOM    441  N   GLY A  31       5.410   2.040  -3.183  1.00  0.51           N  
ATOM    442  CA  GLY A  31       5.729   0.846  -3.947  1.00  0.51           C  
ATOM    443  C   GLY A  31       7.243   0.688  -4.113  1.00  0.52           C  
ATOM    444  O   GLY A  31       7.876   1.461  -4.831  1.00  0.66           O  
ATOM    445  H   GLY A  31       5.909   2.136  -2.322  1.00  0.62           H  
ATOM    446  HA2 GLY A  31       5.321  -0.031  -3.444  1.00  0.45           H  
ATOM    447  HA3 GLY A  31       5.256   0.901  -4.927  1.00  0.63           H  
ATOM    448  N   LYS A  32       7.778  -0.318  -3.436  1.00  0.45           N  
ATOM    449  CA  LYS A  32       9.205  -0.586  -3.501  1.00  0.56           C  
ATOM    450  C   LYS A  32       9.683  -1.096  -2.140  1.00  0.68           C  
ATOM    451  O   LYS A  32       9.509  -2.270  -1.817  1.00  1.69           O  
ATOM    452  CB  LYS A  32       9.960   0.650  -3.995  1.00  0.82           C  
ATOM    453  CG  LYS A  32      10.067   0.653  -5.521  1.00  1.55           C  
ATOM    454  CD  LYS A  32       9.907   2.069  -6.079  1.00  2.37           C  
ATOM    455  CE  LYS A  32      11.223   2.575  -6.674  1.00  3.06           C  
ATOM    456  NZ  LYS A  32      11.555   1.825  -7.906  1.00  3.83           N1+
ATOM    457  H   LYS A  32       7.257  -0.941  -2.855  1.00  0.38           H  
ATOM    458  HA  LYS A  32       9.356  -1.373  -4.238  1.00  0.78           H  
ATOM    459  HB2 LYS A  32       9.421   1.543  -3.678  1.00  0.00           H  
ATOM    460  HB3 LYS A  32      10.959   0.668  -3.558  1.00  1.38           H  
ATOM    461  HG2 LYS A  32      11.047   0.271  -5.806  1.00  0.00           H  
ATOM    462  HG3 LYS A  32       9.299   0.004  -5.944  1.00  2.04           H  
ATOM    463  HD2 LYS A  32       9.148   2.055  -6.861  1.00  0.00           H  
ATOM    464  HD3 LYS A  32       9.582   2.741  -5.286  1.00  2.75           H  
ATOM    465  HE2 LYS A  32      11.119   3.632  -6.918  1.00  0.00           H  
ATOM    466  HE3 LYS A  32      12.026   2.462  -5.945  1.00  3.26           H  
ATOM    467  HZ1 LYS A  32      10.857   1.955  -8.630  1.00  4.24           H  
ATOM    468  HZ2 LYS A  32      12.443   2.116  -8.300  1.00  4.04           H  
ATOM    469  HZ3 LYS A  32      11.608   0.842  -7.680  1.00  0.00           H  
ATOM    470  N   SER A  33      10.280  -0.190  -1.380  1.00  0.80           N  
ATOM    471  CA  SER A  33      10.786  -0.535  -0.062  1.00  0.96           C  
ATOM    472  C   SER A  33      10.209   0.419   0.986  1.00  0.91           C  
ATOM    473  O   SER A  33      10.927   1.258   1.529  1.00  1.36           O  
ATOM    474  CB  SER A  33      12.316  -0.493  -0.033  1.00  1.21           C  
ATOM    475  OG  SER A  33      12.823   0.779  -0.422  1.00  1.65           O  
ATOM    476  H   SER A  33      10.419   0.763  -1.650  1.00  1.57           H  
ATOM    477  HA  SER A  33      10.448  -1.553   0.120  1.00  1.09           H  
ATOM    478  HB2 SER A  33      12.649  -0.701   0.984  1.00  0.00           H  
ATOM    479  HB3 SER A  33      12.712  -1.261  -0.696  1.00  1.45           H  
ATOM    480  HG  SER A  33      13.772   0.876  -0.122  1.00  1.90           H  
ATOM    481  N   CYS A  34       8.918   0.258   1.238  1.00  0.76           N  
ATOM    482  CA  CYS A  34       8.236   1.094   2.211  1.00  0.71           C  
ATOM    483  C   CYS A  34       8.226   0.360   3.553  1.00  0.75           C  
ATOM    484  O   CYS A  34       8.843  -0.697   3.691  1.00  1.00           O  
ATOM    485  CB  CYS A  34       6.824   1.461   1.750  1.00  0.58           C  
ATOM    486  SG  CYS A  34       5.803   0.045   1.204  1.00  1.19           S  
ATOM    487  H   CYS A  34       8.342  -0.426   0.791  1.00  0.95           H  
ATOM    488  HA  CYS A  34       8.805   2.021   2.281  1.00  0.87           H  
ATOM    489  HB2 CYS A  34       6.313   1.949   2.580  1.00  0.00           H  
ATOM    490  HB3 CYS A  34       6.898   2.175   0.930  1.00  1.09           H  
ATOM    491  N   ASP A  35       7.521   0.946   4.507  1.00  0.65           N  
ATOM    492  CA  ASP A  35       7.423   0.362   5.834  1.00  0.76           C  
ATOM    493  C   ASP A  35       6.068   0.721   6.447  1.00  0.69           C  
ATOM    494  O   ASP A  35       5.964   0.926   7.655  1.00  0.99           O  
ATOM    495  CB  ASP A  35       8.517   0.902   6.757  1.00  1.00           C  
ATOM    496  CG  ASP A  35       9.018  -0.087   7.813  1.00  1.47           C  
ATOM    497  OD1 ASP A  35       8.288  -0.445   8.750  1.00  2.34           O  
ATOM    498  OD2 ASP A  35      10.229  -0.498   7.644  1.00  1.76           O1-
ATOM    499  H   ASP A  35       7.024   1.806   4.388  1.00  0.67           H  
ATOM    500  HA  ASP A  35       7.541  -0.711   5.683  1.00  0.78           H  
ATOM    501  HB2 ASP A  35       9.366   1.189   6.137  1.00  0.00           H  
ATOM    502  HB3 ASP A  35       8.140   1.789   7.263  1.00  1.27           H  
ATOM    503  HD2 ASP A  35      10.331  -1.420   8.016  1.00  1.98           H  
ATOM    504  N   CYS A  36       5.064   0.786   5.585  1.00  0.42           N  
ATOM    505  CA  CYS A  36       3.719   1.117   6.027  1.00  0.37           C  
ATOM    506  C   CYS A  36       2.732   0.225   5.271  1.00  0.36           C  
ATOM    507  O   CYS A  36       2.569   0.361   4.059  1.00  0.41           O  
ATOM    508  CB  CYS A  36       3.410   2.603   5.833  1.00  0.41           C  
ATOM    509  SG  CYS A  36       3.828   3.668   7.263  1.00  0.66           S  
ATOM    510  H   CYS A  36       5.156   0.618   4.604  1.00  0.48           H  
ATOM    511  HA  CYS A  36       3.683   0.915   7.098  1.00  0.40           H  
ATOM    512  HB2 CYS A  36       3.973   2.956   4.969  1.00  0.00           H  
ATOM    513  HB3 CYS A  36       2.348   2.713   5.613  1.00  0.37           H  
ATOM    514  N   PRO A  37       2.082  -0.690   6.038  1.00  0.44           N  
ATOM    515  CA  PRO A  37       1.114  -1.603   5.454  1.00  0.48           C  
ATOM    516  C   PRO A  37      -0.198  -0.884   5.139  1.00  0.41           C  
ATOM    517  O   PRO A  37      -0.773  -0.225   6.003  1.00  0.54           O  
ATOM    518  CB  PRO A  37       0.951  -2.713   6.480  1.00  0.68           C  
ATOM    519  CG  PRO A  37       1.474  -2.149   7.791  1.00  0.75           C  
ATOM    520  CD  PRO A  37       2.249  -0.880   7.476  1.00  0.59           C  
ATOM    521  HA  PRO A  37       1.451  -1.953   4.580  1.00  0.51           H  
ATOM    522  HB2 PRO A  37      -0.098  -2.995   6.575  1.00  0.00           H  
ATOM    523  HB3 PRO A  37       1.511  -3.601   6.187  1.00  0.80           H  
ATOM    524  HG2 PRO A  37       0.619  -1.883   8.413  1.00  0.00           H  
ATOM    525  HG3 PRO A  37       2.116  -2.874   8.290  1.00  0.90           H  
ATOM    526  HD2 PRO A  37       1.834  -0.037   8.028  1.00  0.00           H  
ATOM    527  HD3 PRO A  37       3.301  -0.981   7.743  1.00  0.65           H  
ATOM    528  N   LEU A  38      -0.634  -1.035   3.896  1.00  0.37           N  
ATOM    529  CA  LEU A  38      -1.869  -0.406   3.455  1.00  0.42           C  
ATOM    530  C   LEU A  38      -3.030  -1.383   3.652  1.00  0.59           C  
ATOM    531  O   LEU A  38      -3.128  -2.388   2.950  1.00  0.76           O  
ATOM    532  CB  LEU A  38      -1.729   0.100   2.019  1.00  0.44           C  
ATOM    533  CG  LEU A  38      -0.320   0.052   1.424  1.00  0.60           C  
ATOM    534  CD1 LEU A  38      -0.080  -1.268   0.688  1.00  0.96           C  
ATOM    535  CD2 LEU A  38      -0.061   1.264   0.528  1.00  1.00           C  
ATOM    536  H   LEU A  38      -0.160  -1.572   3.198  1.00  0.47           H  
ATOM    537  HA  LEU A  38      -2.037   0.464   4.088  1.00  0.48           H  
ATOM    538  HB2 LEU A  38      -2.373  -0.515   1.389  1.00  0.00           H  
ATOM    539  HB3 LEU A  38      -2.082   1.132   1.982  1.00  0.74           H  
ATOM    540  HG  LEU A  38       0.398   0.098   2.243  1.00  1.14           H  
ATOM    541 HD11 LEU A  38      -0.227  -2.101   1.376  1.00  1.73           H  
ATOM    542 HD12 LEU A  38      -0.784  -1.355  -0.141  1.00  1.46           H  
ATOM    543 HD13 LEU A  38       0.939  -1.290   0.303  1.00  1.24           H  
ATOM    544 HD21 LEU A  38       0.553   1.988   1.063  1.00  1.48           H  
ATOM    545 HD22 LEU A  38       0.460   0.942  -0.374  1.00  1.62           H  
ATOM    546 HD23 LEU A  38      -1.011   1.723   0.255  1.00  1.47           H  
ATOM    547  N   TYR A  39      -3.882  -1.052   4.612  1.00  0.66           N  
ATOM    548  CA  TYR A  39      -5.034  -1.887   4.911  1.00  0.81           C  
ATOM    549  C   TYR A  39      -4.633  -3.083   5.777  1.00  1.13           C  
ATOM    550  O   TYR A  39      -3.572  -3.672   5.576  1.00  1.40           O  
ATOM    551  CB  TYR A  39      -5.546  -2.397   3.563  1.00  1.04           C  
ATOM    552  CG  TYR A  39      -7.071  -2.439   3.452  1.00  1.66           C  
ATOM    553  CD1 TYR A  39      -7.837  -1.498   4.109  1.00  2.53           C  
ATOM    554  CD2 TYR A  39      -7.681  -3.418   2.694  1.00  2.29           C  
ATOM    555  CE1 TYR A  39      -9.272  -1.538   4.005  1.00  3.32           C  
ATOM    556  CE2 TYR A  39      -9.117  -3.457   2.589  1.00  3.09           C  
ATOM    557  CZ  TYR A  39      -9.842  -2.515   3.250  1.00  3.39           C  
ATOM    558  OH  TYR A  39     -11.197  -2.552   3.151  1.00  4.27           O  
ATOM    559  H   TYR A  39      -3.796  -0.232   5.179  1.00  0.70           H  
ATOM    560  HA  TYR A  39      -5.757  -1.279   5.455  1.00  1.10           H  
ATOM    561  HB2 TYR A  39      -5.164  -1.741   2.781  1.00  0.00           H  
ATOM    562  HB3 TYR A  39      -5.152  -3.399   3.392  1.00  1.33           H  
ATOM    563  HD1 TYR A  39      -7.356  -0.725   4.708  1.00  2.95           H  
ATOM    564  HD2 TYR A  39      -7.077  -4.161   2.174  1.00  2.55           H  
ATOM    565  HE1 TYR A  39      -9.889  -0.801   4.520  1.00  4.12           H  
ATOM    566  HE2 TYR A  39      -9.611  -4.225   1.994  1.00  3.74           H  
ATOM    567  HH  TYR A  39     -11.467  -3.052   2.328  1.00  4.43           H  
ATOM    568  N   PRO A  40      -5.528  -3.415   6.746  1.00  1.55           N  
ATOM    569  CA  PRO A  40      -5.279  -4.530   7.644  1.00  2.05           C  
ATOM    570  C   PRO A  40      -5.502  -5.867   6.932  1.00  2.12           C  
ATOM    571  O   PRO A  40      -6.078  -5.907   5.846  1.00  2.44           O  
ATOM    572  CB  PRO A  40      -6.227  -4.314   8.813  1.00  2.59           C  
ATOM    573  CG  PRO A  40      -7.292  -3.352   8.312  1.00  2.49           C  
ATOM    574  CD  PRO A  40      -6.795  -2.740   7.013  1.00  1.86           C  
ATOM    575  HA  PRO A  40      -4.323  -4.533   7.937  1.00  2.20           H  
ATOM    576  HB2 PRO A  40      -6.677  -5.259   9.118  1.00  0.00           H  
ATOM    577  HB3 PRO A  40      -5.699  -3.902   9.673  1.00  2.98           H  
ATOM    578  HG2 PRO A  40      -8.193  -3.925   8.097  1.00  0.00           H  
ATOM    579  HG3 PRO A  40      -7.483  -2.575   9.053  1.00  2.92           H  
ATOM    580  HD2 PRO A  40      -7.509  -2.925   6.211  1.00  0.00           H  
ATOM    581  HD3 PRO A  40      -6.657  -1.662   7.110  1.00  1.96           H  
ATOM    582  N   GLY A  41      -5.034  -6.928   7.574  1.00  2.37           N  
ATOM    583  CA  GLY A  41      -5.175  -8.261   7.016  1.00  2.65           C  
ATOM    584  C   GLY A  41      -5.389  -9.298   8.121  1.00  3.32           C  
ATOM    585  O   GLY A  41      -4.427  -9.853   8.651  1.00  3.84           O  
ATOM    586  H   GLY A  41      -4.567  -6.886   8.457  1.00  2.75           H  
ATOM    587  HA2 GLY A  41      -6.018  -8.283   6.324  1.00  2.87           H  
ATOM    588  HA3 GLY A  41      -4.284  -8.515   6.442  1.00  2.85           H  
END



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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.