NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype
3992 1eii 4682 cing 1-original 3 PDB coordinate initial


###################
# holo-crbpii.pdb #
###################

HEADER    crbp2
COMPND
SOURCE
ATOM      1  N   MET     1      53.288  76.505  36.997
ATOM      2  CA  MET     1      51.870  76.340  37.468
ATOM      3  C   MET     1      51.699  74.913  37.954
ATOM      4  O   MET     1      52.465  74.017  37.615
ATOM      5  CB  MET     1      50.876  76.508  36.305
ATOM      6  CG  MET     1      49.640  77.242  36.870
ATOM      7  SD  MET     1      49.696  78.992  36.361
ATOM      8  CE  MET     1      50.803  79.578  37.664
ATOM      9 1H   MET     1      53.652  75.608  36.663
ATOM     10 2H   MET     1      53.880  76.830  37.767
ATOM     11 3H   MET     1      53.270  77.142  36.214
ATOM     12  HA  MET     1      51.625  76.998  38.316
ATOM     13 1HB  MET     1      50.548  75.504  35.956
ATOM     14 2HB  MET     1      51.332  77.058  35.463
ATOM     15 1HG  MET     1      49.560  77.129  37.970
ATOM     16 2HG  MET     1      48.704  76.764  36.508
ATOM     17 1HE  MET     1      50.306  79.528  38.659
ATOM     18 2HE  MET     1      51.200  80.608  37.507
ATOM     19 3HE  MET     1      51.774  79.019  37.691
ATOM     20  N   THR     2      50.653  74.729  38.773
ATOM     21  CA  THR     2      50.379  73.403  39.317
ATOM     22  C   THR     2      51.615  72.907  40.035
ATOM     23  O   THR     2      51.902  71.729  40.048
ATOM     24  CB  THR     2      50.075  72.390  38.204
ATOM     25  OG1 THR     2      49.271  72.980  37.217
ATOM     26  CG2 THR     2      49.252  71.246  38.859
ATOM     27  H   THR     2      50.075  75.540  38.992
ATOM     28  HA  THR     2      49.551  73.465  40.048
ATOM     29  HB  THR     2      51.032  72.102  37.722
ATOM     30 1HG  THR     2      49.540  73.871  37.130
ATOM     31 1HG2 THR     2      48.312  71.614  39.301
ATOM     32 2HG2 THR     2      49.828  70.769  39.682
ATOM     33 3HG2 THR     2      48.976  70.462  38.118
ATOM     34  N   LYS     3      52.336  73.886  40.630
ATOM     35  CA  LYS     3      53.537  73.489  41.339
ATOM     36  C   LYS     3      54.021  74.452  42.388
ATOM     37  O   LYS     3      54.886  75.297  42.150
ATOM     38  CB  LYS     3      54.676  73.220  40.314
ATOM     39  CG  LYS     3      55.422  71.961  40.785
ATOM     40  CD  LYS     3      56.878  72.044  40.249
ATOM     41  CE  LYS     3      56.891  72.518  38.780
ATOM     42  NZ  LYS     3      58.053  71.868  38.094
ATOM     43  H   LYS     3      52.011  74.853  40.558
ATOM     44  HA  LYS     3      53.356  72.523  41.880
ATOM     45 1HB  LYS     3      55.366  74.074  40.240
ATOM     46 2HB  LYS     3      54.206  72.997  39.341
ATOM     47 1HG  LYS     3      54.888  71.090  40.364
ATOM     48 2HG  LYS     3      55.420  71.909  41.889
ATOM     49 1HD  LYS     3      57.327  71.044  40.335
ATOM     50 2HD  LYS     3      57.453  72.771  40.858
ATOM     51 1HE  LYS     3      56.986  73.614  38.798
ATOM     52 2HE  LYS     3      55.933  72.166  38.329
ATOM     53 1HZ  LYS     3      58.484  72.505  37.418
ATOM     54 2HZ  LYS     3      57.733  71.051  37.558
ATOM     55 3HZ  LYS     3      58.770  71.619  38.768
ATOM     56  N   ASP     4      53.461  74.330  43.588
ATOM     57  CA  ASP     4      53.864  75.199  44.709
ATOM     58  C   ASP     4      54.525  74.295  45.741
ATOM     59  O   ASP     4      55.740  74.126  45.741
ATOM     60  CB  ASP     4      52.687  75.922  45.345
ATOM     61  CG  ASP     4      52.098  76.837  44.288
ATOM     62  OD1 ASP     4      50.873  76.764  44.120
ATOM     63  OD2 ASP     4      52.863  77.594  43.659
ATOM     64  H   ASP     4      52.742  73.622  43.773
ATOM     65  HA  ASP     4      54.607  75.931  44.341
ATOM     66 1HB  ASP     4      53.092  76.536  46.190
ATOM     67 2HB  ASP     4      51.891  75.236  45.713
ATOM     68  N   GLN     5      53.712  73.714  46.607
ATOM     69  CA  GLN     5      54.256  72.787  47.619
ATOM     70  C   GLN     5      53.629  71.427  47.324
ATOM     71  O   GLN     5      52.671  71.403  46.550
ATOM     72  CB  GLN     5      53.819  73.302  48.980
ATOM     73  CG  GLN     5      54.203  74.804  49.068
ATOM     74  CD  GLN     5      55.674  74.954  48.763
ATOM     75  OE1 GLN     5      56.507  74.186  49.194
ATOM     76  NE2 GLN     5      55.910  76.019  47.978
ATOM     77  H   GLN     5      52.711  73.844  46.619
ATOM     78  HA  GLN     5      55.339  72.646  47.489
ATOM     79 1HB  GLN     5      54.332  72.786  49.805
ATOM     80 2HB  GLN     5      52.704  73.223  49.053
ATOM     81 1HG  GLN     5      54.045  75.126  50.110
ATOM     82 2HG  GLN     5      53.607  75.339  48.299
ATOM     83 1HE2 GLN     5      55.142  76.603  47.664
ATOM     84 2HE2 GLN     5      56.874  76.207  47.712
ATOM     85  N   ASN     6      54.206  70.411  47.954
ATOM     86  CA  ASN     6      53.828  69.020  47.854
ATOM     87  C   ASN     6      54.957  68.093  47.413
ATOM     88  O   ASN     6      55.455  68.166  46.296
ATOM     89  CB  ASN     6      52.714  68.770  46.815
ATOM     90  CG  ASN     6      52.479  67.302  46.661
ATOM     91  OD1 ASN     6      52.546  66.517  47.595
ATOM     92  ND2 ASN     6      52.186  66.932  45.392
ATOM     93  H   ASN     6      54.991  70.673  48.569
ATOM     94  HA  ASN     6      53.511  68.661  48.862
ATOM     95 1HB  ASN     6      53.048  69.128  45.807
ATOM     96 2HB  ASN     6      51.773  69.292  47.125
ATOM     97 1HD2 ASN     6      52.172  67.720  44.727
ATOM     98 2HD2 ASN     6      52.022  65.919  45.288
ATOM     99  N   GLY     7      55.319  67.221  48.349
ATOM    100  CA  GLY     7      56.370  66.267  48.072
ATOM    101  C   GLY     7      56.024  64.872  48.581
ATOM    102  O   GLY     7      56.032  64.679  49.776
ATOM    103  H   GLY     7      54.871  67.203  49.265
ATOM    104 1HA  GLY     7      56.590  66.183  46.978
ATOM    105 2HA  GLY     7      57.290  66.615  48.577
ATOM    106  N   THR     8      55.754  64.045  47.578
ATOM    107  CA  THR     8      55.398  62.633  47.722
ATOM    108  C   THR     8      54.400  62.297  46.619
ATOM    109  O   THR     8      53.387  62.959  46.521
ATOM    110  CB  THR     8      54.846  62.288  49.096
ATOM    111  OG1 THR     8      55.960  62.088  49.958
ATOM    112  CG2 THR     8      54.189  60.892  48.995
ATOM    113  H   THR     8      55.786  64.407  46.615
ATOM    114  HA  THR     8      56.332  62.047  47.526
ATOM    115  HB  THR     8      54.237  63.119  49.509
ATOM    116 1HG  THR     8      56.271  62.932  50.240
ATOM    117 1HG2 THR     8      54.859  60.244  48.390
ATOM    118 2HG2 THR     8      53.192  60.969  48.515
ATOM    119 3HG2 THR     8      54.059  60.464  50.005
ATOM    120  N   TRP     9      54.803  61.269  45.872
ATOM    121  CA  TRP     9      53.950  60.813  44.770
ATOM    122  C   TRP     9      53.855  59.318  44.629
ATOM    123  O   TRP     9      52.944  58.837  43.956
ATOM    124  CB  TRP     9      54.293  61.517  43.442
ATOM    125  CG  TRP     9      53.116  62.181  42.818
ATOM    126  CD1 TRP     9      51.818  62.147  43.138
ATOM    127  CD2 TRP     9      53.100  63.003  41.736
ATOM    128  NE1 TRP     9      51.044  62.879  42.326
ATOM    129  CE2 TRP     9      51.866  63.429  41.426
ATOM    130  CE3 TRP     9      54.126  63.427  40.964
ATOM    131  CZ2 TRP     9      51.655  64.255  40.376
ATOM    132  CZ3 TRP     9      53.927  64.258  39.909
ATOM    133  CH2 TRP     9      52.682  64.678  39.611
ATOM    134  H   TRP     9      55.688  60.854  46.123
ATOM    135  HA  TRP     9      52.916  61.164  45.024
ATOM    136 1HB  TRP     9      54.788  60.813  42.726
ATOM    137 2HB  TRP     9      55.036  62.321  43.684
ATOM    138  HD1 TRP     9      51.435  61.578  43.984
ATOM    139  HE1 TRP     9      50.003  62.980  42.407
ATOM    140  HE3 TRP     9      55.145  63.085  41.208
ATOM    141  HZ2 TRP     9      50.611  64.573  40.170
ATOM    142  HZ3 TRP     9      54.761  64.608  39.280
ATOM    143  HH2 TRP     9      52.535  65.350  38.755
ATOM    144  N   GLU    10      54.770  58.593  45.256
ATOM    145  CA  GLU    10      54.721  57.122  45.170
ATOM    146  C   GLU    10      55.845  56.478  45.963
ATOM    147  O   GLU    10      56.984  56.905  45.890
ATOM    148  CB  GLU    10      54.907  56.639  43.728
ATOM    149  CG  GLU    10      54.316  55.202  43.660
ATOM    150  CD  GLU    10      54.185  54.834  42.214
ATOM    151  OE1 GLU    10      53.039  54.754  41.717
ATOM    152  OE2 GLU    10      55.239  54.615  41.572
ATOM    153  H   GLU    10      55.518  58.991  45.806
ATOM    154  HA  GLU    10      53.758  56.774  45.568
ATOM    155 1HB  GLU    10      55.978  56.584  43.475
ATOM    156 2HB  GLU    10      54.341  57.245  42.994
ATOM    157 1HG  GLU    10      53.318  55.260  44.151
ATOM    158 2HG  GLU    10      55.010  54.487  44.136
ATOM    159  N   MET    11      55.455  55.444  46.709
ATOM    160  CA  MET    11      56.344  54.640  47.547
ATOM    161  C   MET    11      57.158  53.743  46.617
ATOM    162  O   MET    11      57.345  54.163  45.473
ATOM    163  CB  MET    11      55.425  53.772  48.427
ATOM    164  CG  MET    11      54.725  52.665  47.622
ATOM    165  SD  MET    11      52.972  53.083  47.302
ATOM    166  CE  MET    11      52.605  51.829  46.063
ATOM    167  H   MET    11      54.447  55.235  46.652
ATOM    168  HA  MET    11      57.066  55.243  48.111
ATOM    169 1HB  MET    11      54.636  54.445  48.844
ATOM    170 2HB  MET    11      56.002  53.316  49.261
ATOM    171 1HG  MET    11      54.839  51.723  48.208
ATOM    172 2HG  MET    11      55.220  52.455  46.659
ATOM    173 1HE  MET    11      51.671  52.087  45.502
ATOM    174 2HE  MET    11      52.528  50.797  46.486
ATOM    175 3HE  MET    11      53.408  51.728  45.307
ATOM    176  N   GLU    12      57.564  52.601  47.155
ATOM    177  CA  GLU    12      58.328  51.559  46.493
ATOM    178  C   GLU    12      59.717  51.503  47.124
ATOM    179  O   GLU    12      60.760  51.596  46.517
ATOM    180  CB  GLU    12      58.431  51.731  44.983
ATOM    181  CG  GLU    12      58.992  50.435  44.352
ATOM    182  CD  GLU    12      57.831  49.512  44.077
ATOM    183  OE1 GLU    12      57.435  49.473  42.901
ATOM    184  OE2 GLU    12      57.328  48.851  45.008
ATOM    185  H   GLU    12      57.309  52.444  48.140
ATOM    186  HA  GLU    12      57.850  50.571  46.720
ATOM    187 1HB  GLU    12      59.110  52.592  44.784
ATOM    188 2HB  GLU    12      57.431  51.939  44.530
ATOM    189 1HG  GLU    12      59.646  49.968  45.120
ATOM    190 2HG  GLU    12      59.450  50.650  43.372
ATOM    191  N   SER    13      59.621  51.334  48.457
ATOM    192  CA  SER    13      60.813  51.260  49.272
ATOM    193  C   SER    13      60.443  50.874  50.697
ATOM    194  O   SER    13      59.873  51.633  51.480
ATOM    195  CB  SER    13      61.479  52.657  49.422
ATOM    196  OG  SER    13      60.813  53.573  48.597
ATOM    197  H   SER    13      58.710  51.255  48.907
ATOM    198  HA  SER    13      61.543  50.523  48.910
ATOM    199 1HB  SER    13      62.528  52.623  49.080
ATOM    200 2HB  SER    13      61.350  53.049  50.458
ATOM    201  HG  SER    13      61.458  54.187  48.277
ATOM    202  N   ASN    14      60.816  49.626  50.948
ATOM    203  CA  ASN    14      60.611  48.954  52.238
ATOM    204  C   ASN    14      59.175  48.737  52.597
ATOM    205  O   ASN    14      58.288  49.206  51.922
ATOM    206  CB  ASN    14      61.218  49.781  53.394
ATOM    207  CG  ASN    14      62.711  49.679  53.190
ATOM    208  OD1 ASN    14      63.246  49.406  52.120
ATOM    209  ND2 ASN    14      63.411  49.916  54.325
ATOM    210  H   ASN    14      61.270  49.087  50.217
ATOM    211  HA  ASN    14      61.063  47.935  52.160
ATOM    212 1HB  ASN    14      60.930  49.302  54.363
ATOM    213 2HB  ASN    14      60.934  50.839  53.332
ATOM    214 1HD2 ASN    14      62.818  50.127  55.140
ATOM    215 2HD2 ASN    14      64.431  49.840  54.192
ATOM    216  N   GLU    15      59.091  47.987  53.708
ATOM    217  CA  GLU    15      57.732  47.679  54.191
ATOM    218  C   GLU    15      57.768  46.764  55.369
ATOM    219  O   GLU    15      57.008  45.803  55.499
ATOM    220  CB  GLU    15      56.993  47.014  53.014
ATOM    221  CG  GLU    15      55.709  47.846  52.774
ATOM    222  CD  GLU    15      54.751  47.513  53.913
ATOM    223  OE1 GLU    15      54.826  48.216  54.942
ATOM    224  OE2 GLU    15      53.969  46.566  53.721
ATOM    225  H   GLU    15      59.934  47.663  54.185
ATOM    226  HA  GLU    15      57.293  48.672  54.454
ATOM    227 1HB  GLU    15      56.676  45.986  53.240
ATOM    228 2HB  GLU    15      57.618  47.001  52.095
ATOM    229 1HG  GLU    15      55.211  47.528  51.846
ATOM    230 2HG  GLU    15      55.940  48.916  52.890
ATOM    231  N   ASN    16      58.686  47.032  56.309
ATOM    232  CA  ASN    16      58.832  46.213  57.509
ATOM    233  C   ASN    16      58.074  46.783  58.683
ATOM    234  O   ASN    16      58.018  47.972  58.886
ATOM    235  CB  ASN    16      60.335  46.114  57.894
ATOM    236  CG  ASN    16      61.019  45.176  56.944
ATOM    237  OD1 ASN    16      61.740  44.246  57.301
ATOM    238  ND2 ASN    16      60.793  45.413  55.631
ATOM    239  H   ASN    16      59.300  47.837  56.160
ATOM    240  HA  ASN    16      58.452  45.200  57.297
ATOM    241 1HB  ASN    16      60.361  45.623  58.900
ATOM    242 2HB  ASN    16      60.818  47.101  57.832
ATOM    243 1HD2 ASN    16      61.277  44.750  55.006
ATOM    244 2HD2 ASN    16      60.173  46.220  55.460
ATOM    245  N   PHE    17      57.499  45.838  59.437
ATOM    246  CA  PHE    17      56.729  46.223  60.615
ATOM    247  C   PHE    17      57.398  45.709  61.864
ATOM    248  O   PHE    17      58.541  45.319  61.929
ATOM    249  CB  PHE    17      55.331  45.560  60.482
ATOM    250  CG  PHE    17      55.045  45.276  59.052
ATOM    251  CD1 PHE    17      54.327  46.189  58.308
ATOM    252  CD2 PHE    17      55.483  44.106  58.437
ATOM    253  CE1 PHE    17      54.071  45.901  56.965
ATOM    254  CE2 PHE    17      55.220  43.836  57.114
ATOM    255  CZ  PHE    17      54.501  44.745  56.348
ATOM    256  H   PHE    17      57.637  44.882  59.140
ATOM    257  HA  PHE    17      56.647  47.318  60.679
ATOM    258 1HB  PHE    17      54.603  46.280  60.915
ATOM    259 2HB  PHE    17      55.354  44.621  61.079
ATOM    260  HD1 PHE    17      53.970  47.115  58.784
ATOM    261  HD2 PHE    17      56.047  43.401  59.044
ATOM    262  HE1 PHE    17      53.498  46.634  56.399
ATOM    263  HE2 PHE    17      55.577  42.906  56.647
ATOM    264  HZ  PHE    17      54.307  44.505  55.288
ATOM    265  N   GLU    18      56.576  45.723  62.917
ATOM    266  CA  GLU    18      57.029  45.261  64.208
ATOM    267  C   GLU    18      57.214  43.758  64.321
ATOM    268  O   GLU    18      56.217  43.051  64.402
ATOM    269  CB  GLU    18      55.909  45.578  65.234
ATOM    270  CG  GLU    18      55.873  47.057  65.616
ATOM    271  CD  GLU    18      54.783  47.173  66.674
ATOM    272  OE1 GLU    18      54.559  48.313  67.161
ATOM    273  OE2 GLU    18      54.164  46.149  67.006
ATOM    274  H   GLU    18      55.614  46.065  62.805
ATOM    275  HA  GLU    18      58.014  45.682  64.508
ATOM    276 1HB  GLU    18      56.126  44.976  66.143
ATOM    277 2HB  GLU    18      54.920  45.263  64.820
ATOM    278 1HG  GLU    18      55.609  47.687  64.751
ATOM    279 2HG  GLU    18      56.829  47.278  66.143
ATOM    280  N   GLY    19      58.492  43.361  64.324
ATOM    281  CA  GLY    19      58.716  41.909  64.442
ATOM    282  C   GLY    19      59.294  41.395  63.165
ATOM    283  O   GLY    19      60.198  40.558  63.203
ATOM    284  H   GLY    19      59.256  44.039  64.247
ATOM    285 1HA  GLY    19      59.469  41.718  65.240
ATOM    286 2HA  GLY    19      57.779  41.374  64.698
ATOM    287  N   TYR    20      58.810  41.896  62.028
ATOM    288  CA  TYR    20      59.398  41.433  60.756
ATOM    289  C   TYR    20      60.591  42.345  60.493
ATOM    290  O   TYR    20      60.727  43.082  59.548
ATOM    291  CB  TYR    20      58.344  41.599  59.669
ATOM    292  CG  TYR    20      58.927  41.624  58.282
ATOM    293  CD1 TYR    20      59.971  40.784  57.950
ATOM    294  CD2 TYR    20      58.390  42.515  57.376
ATOM    295  CE1 TYR    20      60.496  40.839  56.671
ATOM    296  CE2 TYR    20      58.893  42.589  56.091
ATOM    297  CZ  TYR    20      59.947  41.746  55.751
ATOM    298  OH  TYR    20      60.460  41.805  54.491
ATOM    299  H   TYR    20      58.062  42.594  62.027
ATOM    300  HA  TYR    20      59.776  40.405  60.839
ATOM    301 1HB  TYR    20      57.809  42.570  59.810
ATOM    302 2HB  TYR    20      57.589  40.774  59.727
ATOM    303  HD1 TYR    20      60.350  40.107  58.724
ATOM    304  HD2 TYR    20      57.564  43.166  57.680
ATOM    305  HE1 TYR    20      61.328  40.175  56.410
ATOM    306  HE2 TYR    20      58.448  43.306  55.402
ATOM    307  HH  TYR    20      60.232  42.668  54.096
ATOM    308  N   MET    21      61.471  42.231  61.475
ATOM    309  CA  MET    21      62.687  43.063  61.435
ATOM    310  C   MET    21      63.523  42.837  62.656
ATOM    311  O   MET    21      63.058  43.083  63.765
ATOM    312  CB  MET    21      62.158  44.525  61.442
ATOM    313  CG  MET    21      62.850  45.385  60.391
ATOM    314  SD  MET    21      64.667  45.348  60.569
ATOM    315  CE  MET    21      65.011  46.227  59.004
ATOM    316  H   MET    21      61.361  41.613  62.263
ATOM    317  HA  MET    21      63.311  42.832  60.564
ATOM    318 1HB  MET    21      62.312  44.892  62.481
ATOM    319 2HB  MET    21      61.049  44.538  61.275
ATOM    320 1HG  MET    21      62.447  46.430  60.410
ATOM    321 2HG  MET    21      62.540  45.014  59.381
ATOM    322 1HE  MET    21      65.435  45.540  58.232
ATOM    323 2HE  MET    21      65.672  47.103  59.173
ATOM    324 3HE  MET    21      64.125  46.733  58.586
ATOM    325  N   LYS    22      64.723  42.372  62.344
ATOM    326  CA  LYS    22      65.779  42.043  63.299
ATOM    327  C   LYS    22      65.812  40.565  63.673
ATOM    328  O   LYS    22      66.687  40.153  64.402
ATOM    329  CB  LYS    22      65.716  42.904  64.567
ATOM    330  CG  LYS    22      67.164  43.118  65.057
ATOM    331  CD  LYS    22      67.096  44.071  66.257
ATOM    332  CE  LYS    22      66.683  45.466  65.764
ATOM    333  NZ  LYS    22      67.546  46.507  66.436
ATOM    334  H   LYS    22      64.922  42.231  61.350
ATOM    335  HA  LYS    22      66.742  42.189  62.743
ATOM    336 1HB  LYS    22      65.162  42.336  65.351
ATOM    337 2HB  LYS    22      65.206  43.868  64.383
ATOM    338 1HG  LYS    22      67.734  43.530  64.211
ATOM    339 2HG  LYS    22      67.548  42.116  65.370
ATOM    340 1HD  LYS    22      68.116  44.108  66.719
ATOM    341 2HD  LYS    22      66.349  43.681  66.972
ATOM    342 1HE  LYS    22      65.622  45.618  66.049
ATOM    343 2HE  LYS    22      66.807  45.544  64.667
ATOM    344 1HZ  LYS    22      68.372  46.023  66.781
ATOM    345 2HZ  LYS    22      67.020  46.951  67.180
ATOM    346 3HZ  LYS    22      67.798  47.222  65.757
ATOM    347  N   ALA    23      64.807  39.927  63.089
ATOM    348  CA  ALA    23      64.674  38.488  63.327
ATOM    349  C   ALA    23      64.766  38.176  64.816
ATOM    350  O   ALA    23      65.294  37.168  65.238
ATOM    351  CB  ALA    23      65.705  37.685  62.544
ATOM    352  H   ALA    23      64.144  40.430  62.490
ATOM    353  HA  ALA    23      63.641  38.200  63.013
ATOM    354 1HB  ALA    23      66.616  37.595  63.164
ATOM    355 2HB  ALA    23      65.966  38.239  61.606
ATOM    356 3HB  ALA    23      65.296  36.676  62.311
ATOM    357  N   LEU    24      64.181  39.152  65.506
ATOM    358  CA  LEU    24      64.061  39.171  66.975
ATOM    359  C   LEU    24      62.574  39.017  67.284
ATOM    360  O   LEU    24      62.063  39.427  68.317
ATOM    361  CB  LEU    24      64.461  40.542  67.503
ATOM    362  CG  LEU    24      64.795  40.487  69.008
ATOM    363  CD1 LEU    24      65.965  39.510  69.263
ATOM    364  CD2 LEU    24      65.126  41.908  69.535
ATOM    365  H   LEU    24      63.775  39.942  64.985
ATOM    366  HA  LEU    24      64.609  38.322  67.406
ATOM    367 1HB  LEU    24      63.593  41.234  67.339
ATOM    368 2HB  LEU    24      65.320  40.962  66.921
ATOM    369  HG  LEU    24      63.933  40.120  69.591
ATOM    370 1HD1 LEU    24      65.587  38.643  69.842
ATOM    371 2HD1 LEU    24      66.763  39.989  69.871
ATOM    372 3HD1 LEU    24      66.372  39.182  68.288
ATOM    373 1HD2 LEU    24      66.059  42.279  69.063
ATOM    374 2HD2 LEU    24      65.270  41.896  70.633
ATOM    375 3HD2 LEU    24      64.294  42.586  69.264
ATOM    376  N   ASP    25      61.943  38.391  66.282
ATOM    377  CA  ASP    25      60.529  38.093  66.228
ATOM    378  C   ASP    25      60.190  37.017  67.212
ATOM    379  O   ASP    25      59.826  35.889  66.963
ATOM    380  CB  ASP    25      60.212  37.614  64.782
ATOM    381  CG  ASP    25      61.009  36.361  64.497
ATOM    382  OD1 ASP    25      62.212  36.313  64.830
ATOM    383  OD2 ASP    25      60.402  35.414  63.932
ATOM    384  H   ASP    25      62.533  38.110  65.503
ATOM    385  HA  ASP    25      59.904  38.994  66.445
ATOM    386 1HB  ASP    25      60.618  38.372  64.066
ATOM    387 2HB  ASP    25      59.139  37.449  64.629
ATOM    388  N   ILE    26      60.352  37.476  68.469
ATOM    389  CA  ILE    26      60.090  36.596  69.606
ATOM    390  C   ILE    26      59.103  37.213  70.554
ATOM    391  O   ILE    26      58.862  36.847  71.694
ATOM    392  CB  ILE    26      61.460  36.333  70.290
ATOM    393  CG1 ILE    26      62.380  35.529  69.331
ATOM    394  CG2 ILE    26      61.296  35.487  71.555
ATOM    395  CD1 ILE    26      61.809  34.108  69.260
ATOM    396  H   ILE    26      60.655  38.431  68.608
ATOM    397  HA  ILE    26      59.699  35.641  69.215
ATOM    398  HB  ILE    26      61.962  37.293  70.470
ATOM    399 1HG1 ILE    26      63.380  35.522  69.808
ATOM    400 2HG1 ILE    26      62.427  36.020  68.342
ATOM    401 1HG2 ILE    26      62.118  34.753  71.641
ATOM    402 2HG2 ILE    26      60.326  34.933  71.476
ATOM    403 3HG2 ILE    26      61.268  36.176  72.423
ATOM    404 1HD1 ILE    26      62.008  33.633  68.274
ATOM    405 2HD1 ILE    26      60.718  34.068  69.463
ATOM    406 3HD1 ILE    26      62.304  33.493  70.051
ATOM    407  N   ASP    27      58.461  38.274  70.013
ATOM    408  CA  ASP    27      57.455  39.001  70.809
ATOM    409  C   ASP    27      56.094  38.374  70.657
ATOM    410  O   ASP    27      55.595  37.788  71.619
ATOM    411  CB  ASP    27      57.434  40.472  70.407
ATOM    412  CG  ASP    27      56.761  41.234  71.526
ATOM    413  OD1 ASP    27      55.549  41.489  71.470
ATOM    414  OD2 ASP    27      57.527  41.553  72.461
ATOM    415  H   ASP    27      58.678  38.559  69.068
ATOM    416  HA  ASP    27      57.798  38.899  71.872
ATOM    417 1HB  ASP    27      56.796  40.570  69.491
ATOM    418 2HB  ASP    27      58.470  40.848  70.284
ATOM    419  N   PHE    28      55.519  38.507  69.464
ATOM    420  CA  PHE    28      54.192  37.924  69.232
ATOM    421  C   PHE    28      54.032  37.288  67.878
ATOM    422  O   PHE    28      52.934  36.953  67.477
ATOM    423  CB  PHE    28      53.172  39.062  69.423
ATOM    424  CG  PHE    28      51.766  38.579  69.398
ATOM    425  CD1 PHE    28      51.263  37.685  70.320
ATOM    426  CD2 PHE    28      50.925  39.057  68.391
ATOM    427  CE1 PHE    28      49.931  37.261  70.248
ATOM    428  CE2 PHE    28      49.600  38.652  68.303
ATOM    429  CZ  PHE    28      49.106  37.751  69.232
ATOM    430  H   PHE    28      55.975  39.007  68.704
ATOM    431  HA  PHE    28      54.065  37.123  70.000
ATOM    432 1HB  PHE    28      53.354  39.793  68.596
ATOM    433 2HB  PHE    28      53.369  39.557  70.408
ATOM    434  HD1 PHE    28      51.945  37.325  71.105
ATOM    435  HD2 PHE    28      51.322  39.777  67.647
ATOM    436  HE1 PHE    28      49.520  36.538  70.983
ATOM    437  HE2 PHE    28      48.960  39.042  67.509
ATOM    438  HZ  PHE    28      48.058  37.402  69.194
ATOM    439  N   ALA    29      55.181  37.131  67.185
ATOM    440  CA  ALA    29      55.217  36.530  65.849
ATOM    441  C   ALA    29      54.161  37.202  64.999
ATOM    442  O   ALA    29      53.148  36.647  64.633
ATOM    443  CB  ALA    29      54.935  35.037  65.971
ATOM    444  H   ALA    29      56.057  37.448  67.615
ATOM    445  HA  ALA    29      56.178  36.752  65.325
ATOM    446 1HB  ALA    29      53.849  34.830  65.855
ATOM    447 2HB  ALA    29      55.253  34.710  66.983
ATOM    448 3HB  ALA    29      55.516  34.487  65.186
ATOM    449  N   THR    30      54.546  38.469  64.732
ATOM    450  CA  THR    30      53.705  39.353  63.913
ATOM    451  C   THR    30      53.128  38.669  62.686
ATOM    452  O   THR    30      52.059  39.065  62.247
ATOM    453  CB  THR    30      54.432  40.655  63.551
ATOM    454  OG1 THR    30      53.522  41.473  62.834
ATOM    455  CG2 THR    30      55.585  40.391  62.571
ATOM    456  H   THR    30      55.425  38.826  65.093
ATOM    457  HA  THR    30      52.839  39.640  64.556
ATOM    458  HB  THR    30      54.701  41.188  64.488
ATOM    459 1HG  THR    30      52.999  41.934  63.464
ATOM    460 1HG2 THR    30      56.273  39.653  63.037
ATOM    461 2HG2 THR    30      56.124  41.339  62.391
ATOM    462 3HG2 THR    30      55.143  39.995  61.635
ATOM    463  N   ARG    31      53.912  37.693  62.253
ATOM    464  CA  ARG    31      53.656  36.831  61.110
ATOM    465  C   ARG    31      54.462  37.255  59.909
ATOM    466  O   ARG    31      54.086  36.873  58.801
ATOM    467  CB  ARG    31      52.155  36.762  60.750
ATOM    468  CG  ARG    31      51.818  35.527  59.907
ATOM    469  CD  ARG    31      50.298  35.275  59.980
ATOM    470  NE  ARG    31      49.674  35.800  58.767
ATOM    471  CZ  ARG    31      48.466  35.340  58.337
ATOM    472  NH1 ARG    31      47.944  35.862  57.211
ATOM    473  NH2 ARG    31      47.788  34.386  59.004
ATOM    474  H   ARG    31      54.784  37.530  62.773
ATOM    475  HA  ARG    31      53.977  35.785  61.357
ATOM    476 1HB  ARG    31      51.892  37.699  60.202
ATOM    477 2HB  ARG    31      51.545  36.774  61.688
ATOM    478 1HG  ARG    31      52.399  34.665  60.292
ATOM    479 2HG  ARG    31      52.055  35.700  58.830
ATOM    480 1HD  ARG    31      49.825  35.790  60.834
ATOM    481 2HD  ARG    31      50.109  34.188  60.026
ATOM    482  HE  ARG    31      50.189  36.516  58.259
ATOM    483 1HH1 ARG    31      48.429  36.594  56.674
ATOM    484 2HH1 ARG    31      47.035  35.503  56.887
ATOM    485 1HH2 ARG    31      46.893  34.040  58.686
ATOM    486 2HH2 ARG    31      48.212  34.015  59.854
ATOM    487  N   LYS    32      55.523  38.014  60.134
ATOM    488  CA  LYS    32      56.343  38.442  58.989
ATOM    489  C   LYS    32      55.553  39.305  58.059
ATOM    490  O   LYS    32      55.895  39.461  56.908
ATOM    491  CB  LYS    32      56.787  37.136  58.269
ATOM    492  CG  LYS    32      57.098  36.016  59.272
ATOM    493  CD  LYS    32      58.044  36.602  60.338
ATOM    494  CE  LYS    32      59.215  37.313  59.613
ATOM    495  NZ  LYS    32      60.461  36.995  60.389
ATOM    496  H   LYS    32      55.811  38.324  61.050
ATOM    497  HA  LYS    32      57.254  38.940  59.350
ATOM    498 1HB  LYS    32      57.704  37.397  57.706
ATOM    499 2HB  LYS    32      55.993  36.816  57.566
ATOM    500 1HG  LYS    32      57.641  35.167  58.791
ATOM    501 2HG  LYS    32      56.178  35.590  59.729
ATOM    502 1HD  LYS    32      58.434  35.774  60.945
ATOM    503 2HD  LYS    32      57.513  37.306  61.020
ATOM    504 1HE  LYS    32      59.091  38.405  59.631
ATOM    505 2HE  LYS    32      59.320  36.940  58.573
ATOM    506 1HZ  LYS    32      60.630  35.986  60.442
ATOM    507 2HZ  LYS    32      60.415  37.383  61.323
ATOM    508 3HZ  LYS    32      61.238  37.413  59.867
ATOM    509  N   ILE    33      54.481  39.839  58.689
ATOM    510  CA  ILE    33      53.579  40.725  57.932
ATOM    511  C   ILE    33      52.710  41.549  58.864
ATOM    512  O   ILE    33      52.244  41.112  59.890
ATOM    513  CB  ILE    33      52.630  39.931  57.029
ATOM    514  CG1 ILE    33      53.221  39.692  55.626
ATOM    515  CG2 ILE    33      51.299  40.685  56.833
ATOM    516  CD1 ILE    33      53.411  38.185  55.444
ATOM    517  H   ILE    33      54.308  39.630  59.670
ATOM    518  HA  ILE    33      54.229  41.382  57.334
ATOM    519  HB  ILE    33      52.431  38.942  57.512
ATOM    520 1HG1 ILE    33      54.183  40.254  55.578
ATOM    521 2HG1 ILE    33      52.522  40.077  54.851
ATOM    522 1HG2 ILE    33      50.751  40.236  55.976
ATOM    523 2HG2 ILE    33      51.525  41.746  56.602
ATOM    524 3HG2 ILE    33      50.656  40.646  57.735
ATOM    525 1HD1 ILE    33      52.459  37.653  55.239
ATOM    526 2HD1 ILE    33      53.864  37.785  56.382
ATOM    527 3HD1 ILE    33      54.095  38.015  54.583
ATOM    528  N   ALA    34      52.493  42.814  58.457
ATOM    529  CA  ALA    34      51.680  43.728  59.244
ATOM    530  C   ALA    34      51.152  44.852  58.370
ATOM    531  O   ALA    34      51.237  44.898  57.159
ATOM    532  CB  ALA    34      52.540  44.394  60.338
ATOM    533  H   ALA    34      52.911  43.141  57.575
ATOM    534  HA  ALA    34      50.805  43.219  59.682
ATOM    535 1HB  ALA    34      52.678  45.485  60.134
ATOM    536 2HB  ALA    34      53.535  43.907  60.347
ATOM    537 3HB  ALA    34      52.078  44.277  61.335
ATOM    538  N   VAL    35      50.568  45.810  59.109
ATOM    539  CA  VAL    35      49.981  47.004  58.525
ATOM    540  C   VAL    35      50.922  47.765  57.596
ATOM    541  O   VAL    35      51.756  48.547  57.997
ATOM    542  CB  VAL    35      49.555  48.034  59.596
ATOM    543  CG1 VAL    35      48.895  49.236  58.913
ATOM    544  CG2 VAL    35      48.561  47.406  60.590
ATOM    545  H   VAL    35      50.540  45.696  60.122
ATOM    546  HA  VAL    35      49.093  46.718  57.932
ATOM    547  HB  VAL    35      50.486  48.332  60.136
ATOM    548 1HG1 VAL    35      47.805  49.267  59.160
ATOM    549 2HG1 VAL    35      49.012  49.225  57.812
ATOM    550 3HG1 VAL    35      49.348  50.184  59.297
ATOM    551 1HG2 VAL    35      49.114  46.972  61.444
ATOM    552 2HG2 VAL    35      47.999  46.624  60.041
ATOM    553 3HG2 VAL    35      47.882  48.218  60.930
ATOM    554  N   ARG    36      50.691  47.441  56.327
ATOM    555  CA  ARG    36      51.447  48.025  55.236
ATOM    556  C   ARG    36      51.231  49.527  55.139
ATOM    557  O   ARG    36      50.119  50.029  55.229
ATOM    558  CB  ARG    36      51.008  47.459  53.863
ATOM    559  CG  ARG    36      50.558  45.996  53.969
ATOM    560  CD  ARG    36      50.450  45.439  52.537
ATOM    561  NE  ARG    36      50.825  44.037  52.564
ATOM    562  CZ  ARG    36      51.795  43.507  51.810
ATOM    563  NH1 ARG    36      52.035  42.179  51.938
ATOM    564  NH2 ARG    36      52.542  44.208  50.938
ATOM    565  H   ARG    36      49.961  46.766  56.155
ATOM    566  HA  ARG    36      52.536  47.879  55.351
ATOM    567 1HB  ARG    36      51.886  47.519  53.202
ATOM    568 2HB  ARG    36      50.161  48.078  53.475
ATOM    569 1HG  ARG    36      49.553  45.949  54.437
ATOM    570 2HG  ARG    36      51.300  45.392  54.534
ATOM    571 1HD  ARG    36      51.060  46.031  51.841
ATOM    572 2HD  ARG    36      49.377  45.553  52.232
ATOM    573  HE  ARG    36      50.318  43.412  53.197
ATOM    574 1HH1 ARG    36      51.481  41.634  52.587
ATOM    575 2HH1 ARG    36      52.768  41.731  51.376
ATOM    576 1HH2 ARG    36      53.261  43.701  50.405
ATOM    577 2HH2 ARG    36      52.427  45.211  50.787
ATOM    578  N   LEU    37      52.392  50.149  54.954
ATOM    579  CA  LEU    37      52.425  51.594  54.829
ATOM    580  C   LEU    37      52.093  51.963  53.389
ATOM    581  O   LEU    37      50.938  52.282  53.138
ATOM    582  CB  LEU    37      53.797  52.134  55.220
ATOM    583  CG  LEU    37      53.650  52.731  56.649
ATOM    584  CD1 LEU    37      53.586  51.589  57.691
ATOM    585  CD2 LEU    37      54.844  53.647  56.886
ATOM    586  H   LEU    37      53.274  49.638  54.899
ATOM    587  HA  LEU    37      51.610  52.016  55.473
ATOM    588 1HB  LEU    37      54.058  52.985  54.548
ATOM    589 2HB  LEU    37      54.581  51.361  55.196
ATOM    590  HG  LEU    37      52.675  53.263  56.643
ATOM    591 1HD1 LEU    37      52.886  51.839  58.504
ATOM    592 2HD1 LEU    37      54.616  51.504  58.112
ATOM    593 3HD1 LEU    37      53.285  50.660  57.175
ATOM    594 1HD2 LEU    37      54.533  54.697  57.100
ATOM    595 2HD2 LEU    37      55.511  53.625  56.000
ATOM    596 3HD2 LEU    37      55.393  53.251  57.780
ATOM    597  N   THR    38      53.140  51.882  52.582
ATOM    598  CA  THR    38      53.117  52.187  51.143
ATOM    599  C   THR    38      51.927  52.974  50.690
ATOM    600  O   THR    38      51.683  54.053  51.232
ATOM    601  CB  THR    38      53.283  50.851  50.404
ATOM    602  OG1 THR    38      52.089  50.092  50.538
ATOM    603  CG2 THR    38      54.400  49.984  51.018
ATOM    604  H   THR    38      54.050  51.586  52.960
ATOM    605  HA  THR    38      54.009  52.838  50.945
ATOM    606  HB  THR    38      53.437  51.082  49.337
ATOM    607 1HG  THR    38      51.795  50.219  51.427
ATOM    608 1HG2 THR    38      54.156  49.801  52.084
ATOM    609 2HG2 THR    38      55.394  50.473  50.969
ATOM    610 3HG2 THR    38      54.409  49.018  50.472
ATOM    611  N   GLN    39      51.187  52.460  49.716
ATOM    612  CA  GLN    39      50.000  53.180  49.215
ATOM    613  C   GLN    39      50.323  54.477  48.519
ATOM    614  O   GLN    39      50.223  54.530  47.302
ATOM    615  CB  GLN    39      49.063  53.403  50.398
ATOM    616  CG  GLN    39      47.862  52.436  50.195
ATOM    617  CD  GLN    39      47.401  51.958  51.535
ATOM    618  OE1 GLN    39      46.764  52.641  52.301
ATOM    619  NE2 GLN    39      47.795  50.697  51.746
ATOM    620  H   GLN    39      51.392  51.573  49.275
ATOM    621  HA  GLN    39      49.527  52.498  48.461
ATOM    622 1HB  GLN    39      48.697  54.460  50.337
ATOM    623 2HB  GLN    39      49.566  53.210  51.354
ATOM    624 1HG  GLN    39      48.265  51.589  49.581
ATOM    625 2HG  GLN    39      47.092  53.019  49.670
ATOM    626 1HE2 GLN    39      48.338  50.228  51.015
ATOM    627 2HE2 GLN    39      47.566  50.218  52.610
ATOM    628  N   THR    40      50.689  55.419  49.379
ATOM    629  CA  THR    40      51.085  56.771  49.058
ATOM    630  C   THR    40      50.459  57.845  49.938
ATOM    631  O   THR    40      49.432  58.390  49.608
ATOM    632  CB  THR    40      50.812  57.156  47.595
ATOM    633  OG1 THR    40      51.720  56.493  46.753
ATOM    634  CG2 THR    40      51.076  58.671  47.370
ATOM    635  H   THR    40      50.697  55.141  50.370
ATOM    636  HA  THR    40      52.191  56.845  49.234
ATOM    637  HB  THR    40      49.798  56.821  47.306
ATOM    638 1HG  THR    40      52.547  56.401  47.168
ATOM    639 1HG2 THR    40      50.129  59.218  47.526
ATOM    640 2HG2 THR    40      51.443  58.815  46.337
ATOM    641 3HG2 THR    40      51.818  59.013  48.110
ATOM    642  N   LYS    41      51.197  58.070  51.045
ATOM    643  CA  LYS    41      50.742  59.110  51.989
ATOM    644  C   LYS    41      51.074  60.444  51.361
ATOM    645  O   LYS    41      51.798  60.449  50.363
ATOM    646  CB  LYS    41      51.595  58.997  53.255
ATOM    647  CG  LYS    41      53.095  58.791  52.911
ATOM    648  CD  LYS    41      53.971  59.293  54.067
ATOM    649  CE  LYS    41      54.350  60.783  53.843
ATOM    650  NZ  LYS    41      55.051  60.948  52.542
ATOM    651  H   LYS    41      52.041  57.524  51.177
ATOM    652  HA  LYS    41      49.664  59.039  52.183
ATOM    653 1HB  LYS    41      51.243  58.139  53.859
ATOM    654 2HB  LYS    41      51.546  59.934  53.857
ATOM    655 1HG  LYS    41      53.301  59.350  51.974
ATOM    656 2HG  LYS    41      53.301  57.716  52.765
ATOM    657 1HD  LYS    41      54.929  58.740  54.129
ATOM    658 2HD  LYS    41      53.417  59.230  55.024
ATOM    659 1HE  LYS    41      55.003  61.091  54.689
ATOM    660 2HE  LYS    41      53.420  61.383  53.793
ATOM    661 1HZ  LYS    41      55.765  61.688  52.600
ATOM    662 2HZ  LYS    41      54.364  61.155  51.824
ATOM    663 3HZ  LYS    41      55.521  60.068  52.292
ATOM    664  N   ILE    42      50.553  61.520  51.939
ATOM    665  CA  ILE    42      50.877  62.818  51.318
ATOM    666  C   ILE    42      50.561  64.011  52.178
ATOM    667  O   ILE    42      50.034  63.952  53.272
ATOM    668  CB  ILE    42      50.177  63.016  49.978
ATOM    669  CG1 ILE    42      49.294  61.831  49.567
ATOM    670  CG2 ILE    42      51.230  63.188  48.846
ATOM    671  CD1 ILE    42      48.256  62.307  48.513
ATOM    672  H   ILE    42      49.960  61.446  52.779
ATOM    673  HA  ILE    42      51.983  62.844  51.139
ATOM    674  HB  ILE    42      49.545  63.942  49.954
ATOM    675 1HG1 ILE    42      48.807  61.453  50.479
ATOM    676 2HG1 ILE    42      49.971  61.063  49.133
ATOM    677 1HG2 ILE    42      51.123  62.359  48.110
ATOM    678 2HG2 ILE    42      52.258  63.142  49.240
ATOM    679 3HG2 ILE    42      51.069  64.126  48.275
ATOM    680 1HD1 ILE    42      48.152  63.398  48.594
ATOM    681 2HD1 ILE    42      47.287  61.822  48.691
ATOM    682 3HD1 ILE    42      48.626  62.062  47.485
ATOM    683  N   ILE    43      50.964  65.125  51.521
ATOM    684  CA  ILE    43      50.827  66.471  52.054
ATOM    685  C   ILE    43      50.767  67.449  50.915
ATOM    686  O   ILE    43      50.848  67.061  49.762
ATOM    687  CB  ILE    43      52.162  66.768  52.796
ATOM    688  CG1 ILE    43      53.301  66.927  51.749
ATOM    689  CG2 ILE    43      52.546  65.595  53.689
ATOM    690  CD1 ILE    43      53.444  68.441  51.493
ATOM    691  H   ILE    43      51.398  65.028  50.593
ATOM    692  HA  ILE    43      49.978  66.588  52.740
ATOM    693  HB  ILE    43      51.999  67.712  53.335
ATOM    694 1HG1 ILE    43      53.049  66.387  50.823
ATOM    695 2HG1 ILE    43      54.243  66.585  52.198
ATOM    696 1HG2 ILE    43      53.449  65.891  54.272
ATOM    697 2HG2 ILE    43      52.778  64.709  53.049
ATOM    698 3HG2 ILE    43      51.690  65.361  54.349
ATOM    699 1HD1 ILE    43      54.512  68.636  51.274
ATOM    700 2HD1 ILE    43      53.096  69.038  52.361
ATOM    701 3HD1 ILE    43      52.823  68.758  50.628
ATOM    702  N   VAL    44      50.625  68.743  51.285
ATOM    703  CA  VAL    44      50.576  69.732  50.234
ATOM    704  C   VAL    44      51.550  70.866  50.472
ATOM    705  O   VAL    44      52.457  71.044  49.698
ATOM    706  CB  VAL    44      49.200  70.426  50.122
ATOM    707  CG1 VAL    44      48.994  70.906  48.657
ATOM    708  CG2 VAL    44      48.039  69.515  50.505
ATOM    709  H   VAL    44      50.565  68.983  52.279
ATOM    710  HA  VAL    44      50.805  69.296  49.227
ATOM    711  HB  VAL    44      49.265  71.346  50.740
ATOM    712 1HG1 VAL    44      47.998  70.614  48.289
ATOM    713 2HG1 VAL    44      49.812  70.472  48.047
ATOM    714 3HG1 VAL    44      49.105  72.007  48.658
ATOM    715 1HG2 VAL    44      48.336  68.716  51.223
ATOM    716 2HG2 VAL    44      47.692  69.007  49.569
ATOM    717 3HG2 VAL    44      47.180  70.079  50.932
ATOM    718  N   GLN    45      51.331  71.614  51.543
ATOM    719  CA  GLN    45      52.152  72.764  51.877
ATOM    720  C   GLN    45      53.587  72.466  52.197
ATOM    721  O   GLN    45      54.081  71.359  52.104
ATOM    722  CB  GLN    45      51.494  73.560  53.040
ATOM    723  CG  GLN    45      50.663  74.682  52.363
ATOM    724  CD  GLN    45      51.636  75.618  51.695
ATOM    725  OE1 GLN    45      52.723  75.950  52.160
ATOM    726  NE2 GLN    45      51.203  76.075  50.495
ATOM    727  H   GLN    45      50.552  71.396  52.173
ATOM    728  HA  GLN    45      52.169  73.420  50.967
ATOM    729 1HB  GLN    45      52.243  73.972  53.729
ATOM    730 2HB  GLN    45      50.795  72.868  53.527
ATOM    731 1HG  GLN    45      50.106  75.195  53.159
ATOM    732 2HG  GLN    45      50.048  74.252  51.540
ATOM    733 1HE2 GLN    45      51.870  76.714  50.035
ATOM    734 2HE2 GLN    45      50.277  75.711  50.229
ATOM    735  N   ASP    46      54.198  73.611  52.578
ATOM    736  CA  ASP    46      55.629  73.504  52.906
ATOM    737  C   ASP    46      55.942  72.593  54.046
ATOM    738  O   ASP    46      55.060  71.909  54.564
ATOM    739  CB  ASP    46      56.130  74.941  53.184
ATOM    740  CG  ASP    46      56.707  75.466  51.896
ATOM    741  OD1 ASP    46      56.022  76.253  51.218
ATOM    742  OD2 ASP    46      57.844  75.067  51.605
ATOM    743  H   ASP    46      53.689  74.481  52.620
ATOM    744  HA  ASP    46      56.101  73.102  51.972
ATOM    745 1HB  ASP    46      56.889  74.921  53.977
ATOM    746 2HB  ASP    46      55.234  75.546  53.474
ATOM    747  N   GLY    47      57.217  72.567  54.457
ATOM    748  CA  GLY    47      57.629  71.703  55.558
ATOM    749  C   GLY    47      57.908  72.419  56.854
ATOM    750  O   GLY    47      58.860  72.140  57.548
ATOM    751  H   GLY    47      57.858  73.176  53.950
ATOM    752 1HA  GLY    47      56.797  70.996  55.769
ATOM    753 2HA  GLY    47      58.577  71.161  55.305
ATOM    754  N   ASP    48      56.999  73.371  57.138
ATOM    755  CA  ASP    48      57.141  74.137  58.355
ATOM    756  C   ASP    48      55.989  75.071  58.664
ATOM    757  O   ASP    48      56.199  76.046  59.371
ATOM    758  CB  ASP    48      58.420  75.006  58.261
ATOM    759  CG  ASP    48      58.201  76.079  57.222
ATOM    760  OD1 ASP    48      57.662  75.705  56.171
ATOM    761  OD2 ASP    48      58.579  77.237  57.510
ATOM    762  H   ASP    48      56.265  73.480  56.452
ATOM    763  HA  ASP    48      57.196  73.415  59.210
ATOM    764 1HB  ASP    48      59.273  74.378  57.926
ATOM    765 2HB  ASP    48      58.534  75.530  59.227
ATOM    766  N   ASN    49      54.812  74.723  58.118
ATOM    767  CA  ASN    49      53.574  75.460  58.274
ATOM    768  C   ASN    49      52.450  74.948  57.379
ATOM    769  O   ASN    49      52.776  74.268  56.405
ATOM    770  CB  ASN    49      53.793  76.950  57.906
ATOM    771  CG  ASN    49      52.569  77.752  58.246
ATOM    772  OD1 ASN    49      51.820  78.244  57.438
ATOM    773  ND2 ASN    49      52.341  77.902  59.573
ATOM    774  H   ASN    49      54.841  73.867  57.557
ATOM    775  HA  ASN    49      53.206  75.403  59.310
ATOM    776 1HB  ASN    49      53.955  77.027  56.800
ATOM    777 2HB  ASN    49      54.617  77.401  58.485
ATOM    778 1HD2 ASN    49      53.046  77.435  60.162
ATOM    779 2HD2 ASN    49      51.494  78.452  59.780
ATOM    780  N   PHE    50      51.236  75.306  57.770
ATOM    781  CA  PHE    50      49.988  74.965  57.090
ATOM    782  C   PHE    50      49.352  73.680  57.519
ATOM    783  O   PHE    50      48.862  73.617  58.647
ATOM    784  CB  PHE    50      50.142  75.022  55.547
ATOM    785  CG  PHE    50      50.668  76.394  55.248
ATOM    786  CD1 PHE    50      51.951  76.529  54.773
ATOM    787  CD2 PHE    50      49.815  77.462  55.473
ATOM    788  CE1 PHE    50      52.407  77.824  54.514
ATOM    789  CE2 PHE    50      50.259  78.746  55.217
ATOM    790  CZ  PHE    50      51.561  78.888  54.743
ATOM    791  H   PHE    50      51.150  75.879  58.621
ATOM    792  HA  PHE    50      49.252  75.765  57.366
ATOM    793 1HB  PHE    50      49.150  74.896  55.078
ATOM    794 2HB  PHE    50      50.831  74.226  55.228
ATOM    795  HD1 PHE    50      52.605  75.668  54.600
ATOM    796  HD2 PHE    50      48.803  77.297  55.850
ATOM    797  HE1 PHE    50      53.425  78.018  54.137
ATOM    798  HE2 PHE    50      49.601  79.612  55.388
ATOM    799  HZ  PHE    50      51.918  79.898  54.552
ATOM    800  N   LYS    51      49.351  72.678  56.649
ATOM    801  CA  LYS    51      48.716  71.419  57.063
ATOM    802  C   LYS    51      49.222  70.196  56.376
ATOM    803  O   LYS    51      49.786  70.244  55.311
ATOM    804  CB  LYS    51      47.184  71.572  56.855
ATOM    805  CG  LYS    51      46.908  72.680  55.833
ATOM    806  CD  LYS    51      45.365  72.823  55.713
ATOM    807  CE  LYS    51      44.931  74.297  55.931
ATOM    808  NZ  LYS    51      44.615  74.945  54.629
ATOM    809  H   LYS    51      49.757  72.731  55.728
ATOM    810  HA  LYS    51      48.924  71.321  58.158
ATOM    811 1HB  LYS    51      46.696  71.797  57.819
ATOM    812 2HB  LYS    51      46.813  70.619  56.421
ATOM    813 1HG  LYS    51      47.315  72.395  54.836
ATOM    814 2HG  LYS    51      47.285  73.665  56.141
ATOM    815 1HD  LYS    51      44.909  72.191  56.488
ATOM    816 2HD  LYS    51      45.109  72.529  54.685
ATOM    817 1HE  LYS    51      45.732  74.823  56.473
ATOM    818 2HE  LYS    51      43.981  74.242  56.523
ATOM    819 1HZ  LYS    51      45.071  75.861  54.601
ATOM    820 2HZ  LYS    51      43.608  75.077  54.507
ATOM    821 3HZ  LYS    51      45.007  74.367  53.880
ATOM    822  N   THR    52      48.952  69.101  57.123
ATOM    823  CA  THR    52      49.366  67.788  56.647
ATOM    824  C   THR    52      48.836  66.699  57.537
ATOM    825  O   THR    52      48.355  66.997  58.630
ATOM    826  CB  THR    52      50.913  67.753  56.783
ATOM    827  OG1 THR    52      51.388  67.329  55.529
ATOM    828  CG2 THR    52      51.369  66.805  57.894
ATOM    829  H   THR    52      48.465  69.202  58.007
ATOM    830  HA  THR    52      49.062  67.602  55.606
ATOM    831  HB  THR    52      51.289  68.799  56.903
ATOM    832 1HG  THR    52      50.903  67.835  54.902
ATOM    833 1HG2 THR    52      50.824  67.027  58.845
ATOM    834 2HG2 THR    52      52.472  66.893  58.068
ATOM    835 3HG2 THR    52      51.174  65.759  57.603
ATOM    836  N   LYS    53      48.934  65.464  57.046
ATOM    837  CA  LYS    53      48.447  64.333  57.853
ATOM    838  C   LYS    53      48.910  63.053  57.212
ATOM    839  O   LYS    53      49.599  63.099  56.208
ATOM    840  CB  LYS    53      46.914  64.312  57.940
ATOM    841  CG  LYS    53      46.266  63.868  56.602
ATOM    842  CD  LYS    53      45.200  64.900  56.173
ATOM    843  CE  LYS    53      44.590  64.480  54.817
ATOM    844  NZ  LYS    53      43.342  65.260  54.596
ATOM    845  H   LYS    53      49.343  65.289  56.119
ATOM    846  HA  LYS    53      48.936  64.366  58.851
ATOM    847 1HB  LYS    53      46.571  65.348  58.181
ATOM    848 2HB  LYS    53      46.550  63.606  58.707
ATOM    849 1HG  LYS    53      45.750  62.912  56.771
ATOM    850 2HG  LYS    53      47.081  63.800  55.862
ATOM    851 1HD  LYS    53      45.728  65.870  56.067
ATOM    852 2HD  LYS    53      44.427  64.918  56.955
ATOM    853 1HE  LYS    53      44.322  63.399  54.842
ATOM    854 2HE  LYS    53      45.277  64.706  53.974
ATOM    855 1HZ  LYS    53      42.590  64.838  55.145
ATOM    856 2HZ  LYS    53      43.051  65.251  53.610
ATOM    857 3HZ  LYS    53      43.491  66.238  54.856
ATOM    858  N   THR    54      48.484  61.972  57.853
ATOM    859  CA  THR    54      48.776  60.593  57.462
ATOM    860  C   THR    54      50.057  60.097  58.082
ATOM    861  O   THR    54      51.149  60.609  57.842
ATOM    862  CB  THR    54      48.777  60.425  55.921
ATOM    863  OG1 THR    54      50.035  60.736  55.402
ATOM    864  CG2 THR    54      47.681  61.292  55.273
ATOM    865  H   THR    54      47.906  62.155  58.686
ATOM    866  HA  THR    54      47.932  59.966  57.821
ATOM    867  HB  THR    54      48.607  59.332  55.735
ATOM    868 1HG  THR    54      50.629  60.067  55.720
ATOM    869 1HG2 THR    54      47.014  61.648  56.100
ATOM    870 2HG2 THR    54      47.102  60.679  54.553
ATOM    871 3HG2 THR    54      48.075  62.166  54.735
ATOM    872  N   ASN    55      49.914  59.059  58.914
ATOM    873  CA  ASN    55      51.057  58.447  59.607
ATOM    874  C   ASN    55      50.990  56.924  59.641
ATOM    875  O   ASN    55      49.900  56.389  59.728
ATOM    876  CB  ASN    55      51.234  59.001  61.027
ATOM    877  CG  ASN    55      51.590  60.457  60.957
ATOM    878  OD1 ASN    55      50.782  61.357  61.152
ATOM    879  ND2 ASN    55      52.882  60.728  60.661
ATOM    880  H   ASN    55      48.975  58.684  59.073
ATOM    881  HA  ASN    55      51.973  58.671  59.029
ATOM    882 1HB  ASN    55      52.048  58.430  61.527
ATOM    883 2HB  ASN    55      50.228  58.947  61.515
ATOM    884 1HD2 ASN    55      53.460  59.886  60.521
ATOM    885 2HD2 ASN    55      53.096  61.737  60.618
ATOM    886  N   SER    56      52.199  56.386  59.558
ATOM    887  CA  SER    56      52.476  54.942  59.557
ATOM    888  C   SER    56      51.491  54.252  60.468
ATOM    889  O   SER    56      51.523  54.403  61.679
ATOM    890  CB  SER    56      53.907  54.676  60.018
ATOM    891  OG  SER    56      54.417  55.853  60.594
ATOM    892  H   SER    56      53.002  57.023  59.485
ATOM    893  HA  SER    56      52.334  54.525  58.534
ATOM    894 1HB  SER    56      54.545  54.503  59.113
ATOM    895 2HB  SER    56      53.965  53.847  60.767
ATOM    896  HG  SER    56      55.237  56.065  60.170
ATOM    897  N   THR    57      50.638  53.507  59.752
ATOM    898  CA  THR    57      49.547  52.740  60.382
ATOM    899  C   THR    57      48.638  53.749  61.058
ATOM    900  O   THR    57      48.895  54.199  62.160
ATOM    901  CB  THR    57      50.049  51.655  61.317
ATOM    902  OG1 THR    57      49.789  51.959  62.664
ATOM    903  CG2 THR    57      51.581  51.429  61.164
ATOM    904  H   THR    57      50.725  53.466  58.743
ATOM    905  HA  THR    57      48.937  52.252  59.580
ATOM    906  HB  THR    57      49.479  50.712  61.108
ATOM    907 1HG  THR    57      50.491  52.484  63.013
ATOM    908 1HG2 THR    57      51.834  51.553  60.096
ATOM    909 2HG2 THR    57      51.872  50.424  61.504
ATOM    910 3HG2 THR    57      52.123  52.167  61.793
ATOM    911  N   PHE    58      47.578  54.066  60.278
ATOM    912  CA  PHE    58      46.568  55.029  60.702
ATOM    913  C   PHE    58      46.272  54.981  62.198
ATOM    914  O   PHE    58      45.386  54.274  62.677
ATOM    915  CB  PHE    58      45.251  54.896  59.938
ATOM    916  CG  PHE    58      45.313  53.923  58.808
ATOM    917  CD1 PHE    58      45.588  54.308  57.490
ATOM    918  CD2 PHE    58      45.089  52.587  59.076
ATOM    919  CE1 PHE    58      45.636  53.370  56.475
ATOM    920  CE2 PHE    58      45.136  51.642  58.051
ATOM    921  CZ  PHE    58      45.411  52.037  56.746
ATOM    922  H   PHE    58      47.560  53.574  59.381
ATOM    923  HA  PHE    58      46.986  56.049  60.496
ATOM    924 1HB  PHE    58      44.990  55.906  59.526
ATOM    925 2HB  PHE    58      44.418  54.589  60.623
ATOM    926  HD1 PHE    58      45.766  55.366  57.288
ATOM    927  HD2 PHE    58      44.865  52.219  60.087
ATOM    928  HE1 PHE    58      45.853  53.675  55.439
ATOM    929  HE2 PHE    58      44.959  50.576  58.255
ATOM    930  HZ  PHE    58      45.445  51.290  55.940
ATOM    931  N   ARG    59      47.105  55.796  62.887
ATOM    932  CA  ARG    59      46.940  55.838  64.334
ATOM    933  C   ARG    59      46.587  57.217  64.861
ATOM    934  O   ARG    59      45.487  57.453  65.335
ATOM    935  CB  ARG    59      48.209  55.393  65.079
ATOM    936  CG  ARG    59      47.911  54.116  65.876
ATOM    937  CD  ARG    59      47.712  54.463  67.369
ATOM    938  NE  ARG    59      46.518  55.290  67.505
ATOM    939  CZ  ARG    59      46.396  56.104  68.560
ATOM    940  NH1 ARG    59      47.336  56.206  69.526
ATOM    941  NH2 ARG    59      45.295  56.857  68.674
ATOM    942  H   ARG    59      47.812  56.340  62.371
ATOM    943  HA  ARG    59      46.100  55.178  64.670
ATOM    944 1HB  ARG    59      48.508  56.189  65.809
ATOM    945 2HB  ARG    59      49.016  55.184  64.353
ATOM    946 1HG  ARG    59      48.793  53.456  65.789
ATOM    947 2HG  ARG    59      46.990  53.618  65.499
ATOM    948 1HD  ARG    59      48.597  55.053  67.683
ATOM    949 2HD  ARG    59      47.657  53.549  67.977
ATOM    950  HE  ARG    59      45.811  55.206  66.768
ATOM    951 1HH1 ARG    59      47.235  56.835  70.321
ATOM    952 2HH1 ARG    59      48.175  55.646  69.469
ATOM    953 1HH2 ARG    59      44.564  56.811  67.970
ATOM    954 2HH2 ARG    59      45.164  57.484  69.460
ATOM    955  N   ASN    60      47.622  58.035  64.716
ATOM    956  CA  ASN    60      47.533  59.412  65.147
ATOM    957  C   ASN    60      46.764  60.225  64.115
ATOM    958  O   ASN    60      47.162  60.333  62.977
ATOM    959  CB  ASN    60      48.948  60.008  65.274
ATOM    960  CG  ASN    60      48.903  61.148  66.284
ATOM    961  OD1 ASN    60      49.277  62.285  65.999
ATOM    962  ND2 ASN    60      48.431  60.795  67.480
ATOM    963  H   ASN    60      48.480  57.659  64.289
ATOM    964  HA  ASN    60      46.975  59.451  66.106
ATOM    965 1HB  ASN    60      49.306  60.437  64.320
ATOM    966 2HB  ASN    60      49.617  59.254  65.729
ATOM    967 1HD2 ASN    60      48.145  59.829  67.616
ATOM    968 2HD2 ASN    60      48.348  61.468  68.236
ATOM    969  N   TYR    61      45.670  60.758  64.645
ATOM    970  CA  TYR    61      44.809  61.576  63.799
ATOM    971  C   TYR    61      45.404  62.962  63.623
ATOM    972  O   TYR    61      45.222  63.806  64.501
ATOM    973  CB  TYR    61      43.444  61.707  64.507
ATOM    974  CG  TYR    61      42.398  62.165  63.530
ATOM    975  CD1 TYR    61      41.508  63.179  63.918
ATOM    976  CD2 TYR    61      42.298  61.608  62.264
ATOM    977  CE1 TYR    61      40.520  63.653  63.073
ATOM    978  CE2 TYR    61      41.302  62.085  61.423
ATOM    979  CZ  TYR    61      40.416  63.096  61.807
ATOM    980  OH  TYR    61      39.450  63.547  60.965
ATOM    981  H   TYR    61      45.479  60.570  65.625
ATOM    982  HA  TYR    61      44.713  61.071  62.828
ATOM    983 1HB  TYR    61      43.522  62.438  65.328
ATOM    984 2HB  TYR    61      43.151  60.699  64.880
ATOM    985  HD1 TYR    61      41.604  63.605  64.935
ATOM    986  HD2 TYR    61      42.977  60.821  61.939
ATOM    987  HE1 TYR    61      39.865  64.447  63.437
ATOM    988  HE2 TYR    61      41.203  61.644  60.412
ATOM    989  HH  TYR    61      39.303  64.480  61.207
ATOM    990  N   ASP    62      46.082  63.093  62.490
ATOM    991  CA  ASP    62      46.738  64.357  62.123
ATOM    992  C   ASP    62      45.815  65.311  61.406
ATOM    993  O   ASP    62      45.045  64.901  60.567
ATOM    994  CB  ASP    62      47.990  64.072  61.261
ATOM    995  CG  ASP    62      48.915  65.261  61.311
ATOM    996  OD1 ASP    62      48.524  66.320  61.871
ATOM    997  OD2 ASP    62      50.028  65.122  60.783
ATOM    998  H   ASP    62      46.158  62.309  61.856
ATOM    999  HA  ASP    62      47.075  64.895  63.030
ATOM   1000 1HB  ASP    62      47.661  63.965  60.216
ATOM   1001 2HB  ASP    62      48.532  63.201  61.710
ATOM   1002  N   LEU    63      45.935  66.598  61.786
ATOM   1003  CA  LEU    63      45.118  67.633  61.193
ATOM   1004  C   LEU    63      45.770  68.993  61.103
ATOM   1005  O   LEU    63      45.924  69.515  60.003
ATOM   1006  CB  LEU    63      43.821  67.858  62.014
ATOM   1007  CG  LEU    63      42.968  66.586  62.056
ATOM   1008  CD1 LEU    63      41.965  66.720  63.235
ATOM   1009  CD2 LEU    63      42.233  66.429  60.720
ATOM   1010  H   LEU    63      46.614  66.842  62.502
ATOM   1011  HA  LEU    63      44.851  67.329  60.147
ATOM   1012 1HB  LEU    63      43.257  68.691  61.571
ATOM   1013 2HB  LEU    63      44.134  68.088  63.063
ATOM   1014  HG  LEU    63      43.580  65.679  62.268
ATOM   1015 1HD1 LEU    63      42.436  66.414  64.195
ATOM   1016 2HD1 LEU    63      41.110  66.056  62.995
ATOM   1017 3HD1 LEU    63      41.629  67.762  63.344
ATOM   1018 1HD2 LEU    63      41.980  67.443  60.323
ATOM   1019 2HD2 LEU    63      41.268  65.903  60.923
ATOM   1020 3HD2 LEU    63      42.868  65.858  60.028
ATOM   1021  N   ASP    64      46.145  69.545  62.250
ATOM   1022  CA  ASP    64      46.787  70.869  62.207
ATOM   1023  C   ASP    64      48.278  70.678  62.243
ATOM   1024  O   ASP    64      48.778  69.842  62.968
ATOM   1025  CB  ASP    64      46.307  71.636  63.452
ATOM   1026  CG  ASP    64      44.837  71.991  63.273
ATOM   1027  OD1 ASP    64      44.645  73.171  62.921
ATOM   1028  OD2 ASP    64      44.027  71.079  63.509
ATOM   1029  H   ASP    64      46.017  69.102  63.148
ATOM   1030  HA  ASP    64      46.552  71.401  61.270
ATOM   1031 1HB  ASP    64      46.887  72.559  63.593
ATOM   1032 2HB  ASP    64      46.312  70.906  64.297
ATOM   1033  N   PHE    65      48.984  71.477  61.432
ATOM   1034  CA  PHE    65      50.453  71.427  61.330
ATOM   1035  C   PHE    65      50.994  72.782  60.987
ATOM   1036  O   PHE    65      51.299  73.182  59.869
ATOM   1037  CB  PHE    65      50.839  70.407  60.254
ATOM   1038  CG  PHE    65      52.279  70.586  59.831
ATOM   1039  CD1 PHE    65      52.587  70.764  58.501
ATOM   1040  CD2 PHE    65      53.225  70.561  60.844
ATOM   1041  CE1 PHE    65      53.925  70.925  58.160
ATOM   1042  CE2 PHE    65      54.558  70.726  60.469
ATOM   1043  CZ  PHE    65      54.894  70.904  59.140
ATOM   1044  H   PHE    65      48.515  72.168  60.837
ATOM   1045  HA  PHE    65      50.857  71.075  62.308
ATOM   1046 1HB  PHE    65      50.174  70.590  59.379
ATOM   1047 2HB  PHE    65      50.700  69.366  60.604
ATOM   1048  HD1 PHE    65      51.828  70.779  57.720
ATOM   1049  HD2 PHE    65      52.933  70.421  61.890
ATOM   1050  HE1 PHE    65      54.154  71.064  57.098
ATOM   1051  HE2 PHE    65      55.304  70.708  61.264
ATOM   1052  HZ  PHE    65      55.945  71.028  58.875
ATOM   1053  N   THR    66      51.120  73.560  62.063
ATOM   1054  CA  THR    66      51.632  74.937  62.010
ATOM   1055  C   THR    66      52.944  74.967  62.783
ATOM   1056  O   THR    66      53.031  75.687  63.763
ATOM   1057  CB  THR    66      50.624  75.846  62.702
ATOM   1058  OG1 THR    66      49.326  75.514  62.245
ATOM   1059  CG2 THR    66      50.825  77.333  62.332
ATOM   1060  H   THR    66      50.848  73.174  62.957
ATOM   1061  HA  THR    66      51.822  75.270  60.981
ATOM   1062  HB  THR    66      50.664  75.630  63.799
ATOM   1063 1HG  THR    66      49.221  75.941  61.424
ATOM   1064 1HG2 THR    66      50.051  77.988  62.778
ATOM   1065 2HG2 THR    66      50.829  77.426  61.230
ATOM   1066 3HG2 THR    66      51.834  77.654  62.686
ATOM   1067  N   VAL    67      53.873  74.161  62.270
ATOM   1068  CA  VAL    67      55.176  74.098  62.947
ATOM   1069  C   VAL    67      55.869  75.419  62.979
ATOM   1070  O   VAL    67      55.841  76.185  62.044
ATOM   1071  CB  VAL    67      56.080  73.049  62.260
ATOM   1072  CG1 VAL    67      57.491  73.627  62.023
ATOM   1073  CG2 VAL    67      56.247  71.828  63.177
ATOM   1074  H   VAL    67      53.689  73.604  61.426
ATOM   1075  HA  VAL    67      55.051  73.778  64.013
ATOM   1076  HB  VAL    67      55.608  72.751  61.308
ATOM   1077 1HG1 VAL    67      57.378  74.474  61.327
ATOM   1078 2HG1 VAL    67      58.111  72.826  61.563
ATOM   1079 3HG1 VAL    67      57.883  73.929  63.012
ATOM   1080 1HG2 VAL    67      55.334  71.202  63.147
ATOM   1081 2HG2 VAL    67      56.437  72.154  64.230
ATOM   1082 3HG2 VAL    67      57.086  71.227  62.776
ATOM   1083  N   GLY    68      56.497  75.613  64.154
ATOM   1084  CA  GLY    68      57.222  76.889  64.298
ATOM   1085  C   GLY    68      57.167  77.473  65.682
ATOM   1086  O   GLY    68      58.104  78.082  66.165
ATOM   1087  H   GLY    68      56.458  74.908  64.876
ATOM   1088 1HA  GLY    68      58.277  76.682  64.041
ATOM   1089 2HA  GLY    68      56.733  77.627  63.637
ATOM   1090  N   VAL    69      56.017  77.242  66.292
ATOM   1091  CA  VAL    69      55.775  77.718  67.663
ATOM   1092  C   VAL    69      54.865  76.702  68.332
ATOM   1093  O   VAL    69      54.058  76.995  69.181
ATOM   1094  CB  VAL    69      54.969  79.012  67.570
ATOM   1095  CG1 VAL    69      53.607  78.810  66.859
ATOM   1096  CG2 VAL    69      54.767  79.661  68.967
ATOM   1097  H   VAL    69      55.254  76.717  65.843
ATOM   1098  HA  VAL    69      56.709  77.793  68.237
ATOM   1099  HB  VAL    69      55.547  79.700  66.901
ATOM   1100 1HG1 VAL    69      52.842  79.456  67.323
ATOM   1101 2HG1 VAL    69      53.260  77.768  66.927
ATOM   1102 3HG1 VAL    69      53.786  79.085  65.788
ATOM   1103 1HG2 VAL    69      55.563  79.288  69.632
ATOM   1104 2HG2 VAL    69      53.795  79.282  69.374
ATOM   1105 3HG2 VAL    69      54.801  80.757  68.910
ATOM   1106  N   GLU    70      55.119  75.485  67.799
ATOM   1107  CA  GLU    70      54.327  74.367  68.289
ATOM   1108  C   GLU    70      54.232  74.309  69.811
ATOM   1109  O   GLU    70      55.048  74.869  70.532
ATOM   1110  CB  GLU    70      54.771  73.017  67.730
ATOM   1111  CG  GLU    70      53.591  72.247  67.072
ATOM   1112  CD  GLU    70      53.166  72.920  65.806
ATOM   1113  OE1 GLU    70      53.433  72.291  64.745
ATOM   1114  OE2 GLU    70      52.588  74.026  65.836
ATOM   1115  H   GLU    70      55.825  75.373  67.086
ATOM   1116  HA  GLU    70      53.275  74.571  67.958
ATOM   1117 1HB  GLU    70      55.086  72.378  68.596
ATOM   1118 2HB  GLU    70      55.588  73.173  67.008
ATOM   1119 1HG  GLU    70      52.750  72.236  67.790
ATOM   1120 2HG  GLU    70      53.994  71.247  66.777
ATOM   1121  N   PHE    71      53.159  73.595  70.193
ATOM   1122  CA  PHE    71      52.868  73.434  71.601
ATOM   1123  C   PHE    71      51.955  72.280  71.935
ATOM   1124  O   PHE    71      52.090  71.589  72.943
ATOM   1125  CB  PHE    71      52.201  74.701  72.208
ATOM   1126  CG  PHE    71      51.146  75.259  71.324
ATOM   1127  CD1 PHE    71      49.900  74.676  71.189
ATOM   1128  CD2 PHE    71      51.372  76.423  70.572
ATOM   1129  CE1 PHE    71      48.926  75.204  70.352
ATOM   1130  CE2 PHE    71      50.428  76.973  69.733
ATOM   1131  CZ  PHE    71      49.182  76.363  69.611
ATOM   1132  H   PHE    71      52.609  73.204  69.426
ATOM   1133  HA  PHE    71      53.845  73.313  72.138
ATOM   1134 1HB  PHE    71      52.968  75.489  72.386
ATOM   1135 2HB  PHE    71      51.741  74.419  73.182
ATOM   1136  HD1 PHE    71      49.687  73.773  71.759
ATOM   1137  HD2 PHE    71      52.347  76.902  70.672
ATOM   1138  HE1 PHE    71      47.967  74.691  70.290
ATOM   1139  HE2 PHE    71      50.639  77.890  69.155
ATOM   1140  HZ  PHE    71      48.391  76.751  68.961
ATOM   1141  N   ASP    72      50.978  72.050  71.064
ATOM   1142  CA  ASP    72      50.009  70.969  71.254
ATOM   1143  C   ASP    72      49.609  70.308  69.973
ATOM   1144  O   ASP    72      49.695  70.893  68.913
ATOM   1145  CB  ASP    72      48.733  71.579  71.885
ATOM   1146  CG  ASP    72      47.753  70.502  72.238
ATOM   1147  OD1 ASP    72      47.972  69.787  73.238
ATOM   1148  OD2 ASP    72      46.765  70.417  71.458
ATOM   1149  H   ASP    72      50.913  72.656  70.245
ATOM   1150  HA  ASP    72      50.468  70.210  71.925
ATOM   1151 1HB  ASP    72      48.241  72.252  71.150
ATOM   1152 2HB  ASP    72      49.057  72.107  72.815
ATOM   1153  N   GLU    73      49.161  69.049  70.064
ATOM   1154  CA  GLU    73      48.731  68.254  68.913
ATOM   1155  C   GLU    73      48.055  66.998  69.371
ATOM   1156  O   GLU    73      48.511  65.870  69.309
ATOM   1157  CB  GLU    73      50.030  67.913  68.129
ATOM   1158  CG  GLU    73      49.755  68.179  66.647
ATOM   1159  CD  GLU    73      49.065  66.983  66.032
ATOM   1160  OE1 GLU    73      48.235  67.282  65.131
ATOM   1161  OE2 GLU    73      49.367  65.834  66.449
ATOM   1162  H   GLU    73      49.137  68.654  71.009
ATOM   1163  HA  GLU    73      48.056  68.809  68.242
ATOM   1164 1HB  GLU    73      50.324  66.859  68.303
ATOM   1165 2HB  GLU    73      50.846  68.569  68.489
ATOM   1166 1HG  GLU    73      50.721  68.317  66.114
ATOM   1167 2HG  GLU    73      49.039  69.036  66.591
ATOM   1168  N   HIS    74      46.846  67.258  69.870
ATOM   1169  CA  HIS    74      45.999  66.195  70.379
ATOM   1170  C   HIS    74      44.561  66.276  69.897
ATOM   1171  O   HIS    74      44.147  67.093  69.098
ATOM   1172  CB  HIS    74      46.015  66.262  71.925
ATOM   1173  CG  HIS    74      46.459  64.928  72.441
ATOM   1174  ND1 HIS    74      45.682  64.048  73.134
ATOM   1175  CD2 HIS    74      47.683  64.398  72.297
ATOM   1176  CE1 HIS    74      46.454  62.983  73.406
ATOM   1177  NE2 HIS    74      47.682  63.194  72.894
ATOM   1178  H   HIS    74      46.548  68.240  69.878
ATOM   1179  HA  HIS    74      46.418  65.230  70.028
ATOM   1180 1HB  HIS    74      44.978  66.464  72.250
ATOM   1181 2HB  HIS    74      46.694  67.074  72.255
ATOM   1182  HD1 HIS    74      44.712  64.186  73.390
ATOM   1183  HD2 HIS    74      48.544  64.848  71.785
ATOM   1184  HE1 HIS    74      46.129  62.098  73.952
ATOM   1185  HE2 HIS    74      48.441  62.516  72.975
ATOM   1186  N   THR    75      43.781  65.342  70.451
ATOM   1187  CA  THR    75      42.373  65.223  70.144
ATOM   1188  C   THR    75      41.601  64.425  71.189
ATOM   1189  O   THR    75      42.189  63.596  71.842
ATOM   1190  CB  THR    75      42.167  64.447  68.812
ATOM   1191  OG1 THR    75      43.238  64.721  67.963
ATOM   1192  CG2 THR    75      40.886  65.007  68.179
ATOM   1193  H   THR    75      44.212  64.701  71.114
ATOM   1194  HA  THR    75      41.934  66.227  70.076
ATOM   1195  HB  THR    75      42.186  63.365  69.103
ATOM   1196 1HG  THR    75      42.875  65.273  67.283
ATOM   1197 1HG2 THR    75      40.767  64.593  67.164
ATOM   1198 2HG2 THR    75      40.982  66.118  68.115
ATOM   1199 3HG2 THR    75      39.989  64.769  68.794
ATOM   1200  N   LYS    76      40.308  64.722  71.272
ATOM   1201  CA  LYS    76      39.425  64.052  72.214
ATOM   1202  C   LYS    76      38.453  63.103  71.550
ATOM   1203  O   LYS    76      37.388  63.427  71.049
ATOM   1204  CB  LYS    76      38.632  65.074  73.056
ATOM   1205  CG  LYS    76      39.640  66.152  73.511
ATOM   1206  CD  LYS    76      39.025  67.054  74.590
ATOM   1207  CE  LYS    76      37.942  67.945  73.956
ATOM   1208  NZ  LYS    76      37.056  68.572  75.001
ATOM   1209  H   LYS    76      39.966  65.444  70.642
ATOM   1210  HA  LYS    76      40.024  63.430  72.925
ATOM   1211 1HB  LYS    76      38.255  64.555  73.957
ATOM   1212 2HB  LYS    76      37.798  65.513  72.479
ATOM   1213 1HG  LYS    76      39.883  66.762  72.619
ATOM   1214 2HG  LYS    76      40.559  65.650  73.904
ATOM   1215 1HD  LYS    76      39.846  67.675  75.018
ATOM   1216 2HD  LYS    76      38.578  66.394  75.359
ATOM   1217 1HE  LYS    76      37.292  67.303  73.305
ATOM   1218 2HE  LYS    76      38.417  68.723  73.337
ATOM   1219 1HZ  LYS    76      36.317  69.065  74.496
ATOM   1220 2HZ  LYS    76      37.575  69.229  75.578
ATOM   1221 3HZ  LYS    76      36.617  67.854  75.574
ATOM   1222  N   GLY    77      38.909  61.849  71.576
ATOM   1223  CA  GLY    77      38.167  60.726  71.004
ATOM   1224  C   GLY    77      37.880  59.675  72.066
ATOM   1225  O   GLY    77      36.863  59.697  72.734
ATOM   1226  H   GLY    77      39.818  61.687  72.021
ATOM   1227 1HA  GLY    77      37.221  61.110  70.588
ATOM   1228 2HA  GLY    77      38.761  60.216  70.224
ATOM   1229  N   LEU    78      38.891  58.798  72.111
ATOM   1230  CA  LEU    78      38.927  57.659  73.027
ATOM   1231  C   LEU    78      39.743  57.916  74.280
ATOM   1232  O   LEU    78      39.312  57.774  75.424
ATOM   1233  CB  LEU    78      39.617  56.491  72.290
ATOM   1234  CG  LEU    78      38.918  55.153  72.571
ATOM   1235  CD1 LEU    78      38.314  55.100  73.991
ATOM   1236  CD2 LEU    78      37.813  54.874  71.529
ATOM   1237  H   LEU    78      39.685  58.931  71.471
ATOM   1238  HA  LEU    78      37.910  57.360  73.319
ATOM   1239 1HB  LEU    78      40.678  56.418  72.619
ATOM   1240 2HB  LEU    78      39.557  56.688  71.198
ATOM   1241  HG  LEU    78      39.715  54.367  72.547
ATOM   1242 1HD1 LEU    78      37.335  55.618  73.985
ATOM   1243 2HD1 LEU    78      39.027  55.559  74.692
ATOM   1244 3HD1 LEU    78      38.165  54.028  74.261
ATOM   1245 1HD2 LEU    78      37.167  54.062  71.894
ATOM   1246 2HD2 LEU    78      38.254  54.604  70.545
ATOM   1247 3HD2 LEU    78      37.195  55.792  71.359
ATOM   1248  N   ASP    79      40.986  58.314  74.014
ATOM   1249  CA  ASP    79      41.903  58.597  75.119
ATOM   1250  C   ASP    79      41.783  60.039  75.546
ATOM   1251  O   ASP    79      41.516  60.378  76.686
ATOM   1252  CB  ASP    79      43.350  58.345  74.656
ATOM   1253  CG  ASP    79      43.450  56.963  74.069
ATOM   1254  OD1 ASP    79      42.620  56.096  74.393
ATOM   1255  OD2 ASP    79      44.401  56.759  73.270
ATOM   1256  H   ASP    79      41.329  58.432  73.068
ATOM   1257  HA  ASP    79      41.652  57.914  75.952
ATOM   1258 1HB  ASP    79      44.054  58.394  75.512
ATOM   1259 2HB  ASP    79      43.545  59.079  73.834
ATOM   1260  N   GLY    80      42.002  60.883  74.541
ATOM   1261  CA  GLY    80      41.956  62.341  74.650
ATOM   1262  C   GLY    80      42.459  62.898  75.949
ATOM   1263  O   GLY    80      41.739  63.294  76.845
ATOM   1264  H   GLY    80      42.223  60.500  73.610
ATOM   1265 1HA  GLY    80      42.667  62.726  73.873
ATOM   1266 2HA  GLY    80      40.908  62.675  74.454
ATOM   1267  N   ARG    81      43.812  62.896  75.971
ATOM   1268  CA  ARG    81      44.546  63.412  77.142
ATOM   1269  C   ARG    81      45.547  64.470  76.749
ATOM   1270  O   ARG    81      45.172  65.632  76.628
ATOM   1271  CB  ARG    81      45.216  62.283  77.925
ATOM   1272  CG  ARG    81      46.034  62.943  79.065
ATOM   1273  CD  ARG    81      46.200  61.983  80.256
ATOM   1274  NE  ARG    81      47.104  62.521  81.260
ATOM   1275  CZ  ARG    81      47.087  62.061  82.537
ATOM   1276  NH1 ARG    81      46.221  61.098  82.898
ATOM   1277  NH2 ARG    81      47.944  62.583  83.424
ATOM   1278  H   ARG    81      44.277  62.526  75.145
ATOM   1279  HA  ARG    81      43.790  63.939  77.779
ATOM   1280 1HB  ARG    81      45.899  61.699  77.268
ATOM   1281 2HB  ARG    81      44.445  61.638  78.380
ATOM   1282 1HG  ARG    81      45.532  63.889  79.355
ATOM   1283 2HG  ARG    81      47.045  63.212  78.686
ATOM   1284 1HD  ARG    81      46.598  61.002  79.923
ATOM   1285 2HD  ARG    81      45.191  61.850  80.705
ATOM   1286  HE  ARG    81      47.755  63.258  80.967
ATOM   1287 1HH1 ARG    81      46.187  60.735  83.857
ATOM   1288 2HH1 ARG    81      45.568  60.701  82.214
ATOM   1289 1HH2 ARG    81      47.945  62.254  84.395
ATOM   1290 2HH2 ARG    81      48.613  63.307  83.156
ATOM   1291  N   ASN    82      46.793  64.063  76.551
ATOM   1292  CA  ASN    82      47.846  65.017  76.160
ATOM   1293  C   ASN    82      49.179  64.335  75.966
ATOM   1294  O   ASN    82      49.318  63.178  76.295
ATOM   1295  CB  ASN    82      47.988  66.151  77.185
ATOM   1296  CG  ASN    82      48.106  67.444  76.426
ATOM   1297  OD1 ASN    82      49.189  67.961  76.168
ATOM   1298  ND2 ASN    82      46.917  67.943  76.081
ATOM   1299  H   ASN    82      47.066  63.088  76.661
ATOM   1300  HA  ASN    82      47.551  65.406  75.157
ATOM   1301 1HB  ASN    82      48.920  66.060  77.788
ATOM   1302 2HB  ASN    82      47.055  66.234  77.799
ATOM   1303 1HD2 ASN    82      46.848  68.810  75.564
ATOM   1304 2HD2 ASN    82      46.082  67.438  76.342
ATOM   1305  N   VAL    83      50.120  65.137  75.417
ATOM   1306  CA  VAL    83      51.480  64.643  75.152
ATOM   1307  C   VAL    83      52.540  65.704  75.189
ATOM   1308  O   VAL    83      53.594  65.484  75.769
ATOM   1309  CB  VAL    83      51.504  63.911  73.798
ATOM   1310  CG1 VAL    83      52.070  64.801  72.668
ATOM   1311  CG2 VAL    83      52.373  62.640  73.877
ATOM   1312  H   VAL    83      49.837  66.087  75.201
ATOM   1313  HA  VAL    83      51.728  63.892  75.943
ATOM   1314  HB  VAL    83      50.448  63.684  73.545
ATOM   1315 1HG1 VAL    83      52.022  64.236  71.703
ATOM   1316 2HG1 VAL    83      53.137  65.038  72.841
ATOM   1317 3HG1 VAL    83      51.455  65.713  72.569
ATOM   1318 1HG2 VAL    83      52.833  62.481  72.883
ATOM   1319 2HG2 VAL    83      51.729  61.784  74.118
ATOM   1320 3HG2 VAL    83      53.159  62.808  74.654
ATOM   1321  N   LYS    84      52.148  66.799  74.547
ATOM   1322  CA  LYS    84      52.977  67.983  74.426
ATOM   1323  C   LYS    84      53.912  67.888  73.248
ATOM   1324  O   LYS    84      54.800  67.040  73.190
ATOM   1325  CB  LYS    84      53.776  68.251  75.724
ATOM   1326  CG  LYS    84      53.911  69.776  75.844
ATOM   1327  CD  LYS    84      52.562  70.318  76.372
ATOM   1328  CE  LYS    84      52.858  71.621  77.109
ATOM   1329  NZ  LYS    84      53.469  72.583  76.137
ATOM   1330  H   LYS    84      51.231  66.794  74.120
ATOM   1331  HA  LYS    84      52.312  68.870  74.256
ATOM   1332 1HB  LYS    84      54.747  67.746  75.625
ATOM   1333 2HB  LYS    84      53.172  67.814  76.556
ATOM   1334 1HG  LYS    84      54.107  70.158  74.813
ATOM   1335 2HG  LYS    84      54.729  69.991  76.543
ATOM   1336 1HD  LYS    84      52.085  69.550  77.005
ATOM   1337 2HD  LYS    84      51.920  70.490  75.469
ATOM   1338 1HE  LYS    84      53.623  71.397  77.895
ATOM   1339 2HE  LYS    84      51.940  72.045  77.576
ATOM   1340 1HZ  LYS    84      54.463  72.369  75.975
ATOM   1341 2HZ  LYS    84      53.388  73.533  76.477
ATOM   1342 3HZ  LYS    84      52.987  72.484  75.239
ATOM   1343  N   THR    85      53.636  68.820  72.331
ATOM   1344  CA  THR    85      54.359  68.983  71.072
ATOM   1345  C   THR    85      55.092  70.293  70.934
ATOM   1346  O   THR    85      54.692  71.300  71.465
ATOM   1347  CB  THR    85      53.298  68.824  69.945
ATOM   1348  OG1 THR    85      52.877  67.472  70.062
ATOM   1349  CG2 THR    85      53.919  69.061  68.556
ATOM   1350  H   THR    85      52.866  69.473  72.515
ATOM   1351  HA  THR    85      55.095  68.183  70.895
ATOM   1352  HB  THR    85      52.413  69.405  70.239
ATOM   1353 1HG  THR    85      52.613  67.209  69.194
ATOM   1354 1HG2 THR    85      53.792  70.131  68.312
ATOM   1355 2HG2 THR    85      53.366  68.462  67.810
ATOM   1356 3HG2 THR    85      55.009  68.813  68.550
ATOM   1357  N   LEU    86      56.179  70.129  70.166
ATOM   1358  CA  LEU    86      57.035  71.257  69.884
ATOM   1359  C   LEU    86      57.248  71.462  68.391
ATOM   1360  O   LEU    86      56.706  70.810  67.514
ATOM   1361  CB  LEU    86      58.410  71.148  70.579
ATOM   1362  CG  LEU    86      58.665  69.726  71.126
ATOM   1363  CD1 LEU    86      60.179  69.670  71.479
ATOM   1364  CD2 LEU    86      57.911  69.583  72.446
ATOM   1365  H   LEU    86      56.378  69.213  69.789
ATOM   1366  HA  LEU    86      56.508  72.175  70.253
ATOM   1367 1HB  LEU    86      58.366  71.818  71.461
ATOM   1368 2HB  LEU    86      59.193  71.451  69.856
ATOM   1369  HG  LEU    86      58.389  68.943  70.407
ATOM   1370 1HD1 LEU    86      60.302  69.094  72.409
ATOM   1371 2HD1 LEU    86      60.547  70.711  71.637
ATOM   1372 3HD1 LEU    86      60.706  69.233  70.620
ATOM   1373 1HD2 LEU    86      56.862  69.283  72.271
ATOM   1374 2HD2 LEU    86      57.975  70.544  73.007
ATOM   1375 3HD2 LEU    86      58.394  68.783  73.065
ATOM   1376  N   VAL    87      58.096  72.448  68.112
ATOM   1377  CA  VAL    87      58.459  72.843  66.753
ATOM   1378  C   VAL    87      59.606  71.999  66.225
ATOM   1379  O   VAL    87      60.622  71.753  66.840
ATOM   1380  CB  VAL    87      58.859  74.321  66.763
ATOM   1381  CG1 VAL    87      58.079  75.057  67.875
ATOM   1382  CG2 VAL    87      60.366  74.512  67.038
ATOM   1383  H   VAL    87      58.510  72.957  68.880
ATOM   1384  HA  VAL    87      57.558  72.667  66.124
ATOM   1385  HB  VAL    87      58.578  74.814  65.804
ATOM   1386 1HG1 VAL    87      57.147  74.503  68.155
ATOM   1387 2HG1 VAL    87      57.756  76.029  67.470
ATOM   1388 3HG1 VAL    87      58.718  75.189  68.765
ATOM   1389 1HG2 VAL    87      60.631  75.583  67.037
ATOM   1390 2HG2 VAL    87      60.969  73.969  66.284
ATOM   1391 3HG2 VAL    87      60.619  74.123  68.058
ATOM   1392  N   THR    88      59.327  71.572  65.003
ATOM   1393  CA  THR    88      60.221  70.722  64.192
ATOM   1394  C   THR    88      60.283  71.264  62.806
ATOM   1395  O   THR    88      60.060  70.600  61.792
ATOM   1396  CB  THR    88      59.511  69.340  64.170
ATOM   1397  OG1 THR    88      58.392  69.412  63.305
ATOM   1398  CG2 THR    88      59.006  68.996  65.577
ATOM   1399  H   THR    88      58.442  71.799  64.560
ATOM   1400  HA  THR    88      61.199  70.668  64.681
ATOM   1401  HB  THR    88      60.202  68.611  63.731
ATOM   1402 1HG  THR    88      57.627  69.554  63.821
ATOM   1403 1HG2 THR    88      58.382  68.086  65.494
ATOM   1404 2HG2 THR    88      58.348  69.783  66.011
ATOM   1405 3HG2 THR    88      59.894  68.820  66.232
ATOM   1406  N   TRP    89      60.614  72.570  62.688
ATOM   1407  CA  TRP    89      60.736  73.260  61.423
ATOM   1408  C   TRP    89      61.746  72.503  60.564
ATOM   1409  O   TRP    89      61.706  72.690  59.356
ATOM   1410  CB  TRP    89      61.235  74.721  61.618
ATOM   1411  CG  TRP    89      62.745  74.603  61.605
ATOM   1412  CD1 TRP    89      63.455  74.768  60.483
ATOM   1413  CD2 TRP    89      63.500  74.317  62.668
ATOM   1414  NE1 TRP    89      64.707  74.551  60.934
ATOM   1415  CE2 TRP    89      64.779  74.277  62.252
ATOM   1416  CE3 TRP    89      63.154  74.090  63.957
ATOM   1417  CZ2 TRP    89      65.756  73.997  63.138
ATOM   1418  CZ3 TRP    89      64.118  73.812  64.843
ATOM   1419  CH2 TRP    89      65.391  73.771  64.410
ATOM   1420  H   TRP    89      60.786  73.051  63.571
ATOM   1421  HA  TRP    89      59.824  73.234  60.806
ATOM   1422 1HB  TRP    89      60.891  75.147  62.569
ATOM   1423 2HB  TRP    89      60.884  75.344  60.784
ATOM   1424  HD1 TRP    89      63.122  74.997  59.474
ATOM   1425  HE1 TRP    89      65.521  74.591  60.289
ATOM   1426  HE3 TRP    89      62.122  74.127  64.320
ATOM   1427  HZ2 TRP    89      66.825  73.955  62.837
ATOM   1428  HZ3 TRP    89      63.864  73.632  65.892
ATOM   1429  HH2 TRP    89      66.162  73.536  65.155
ATOM   1430  N   GLU    90      62.548  71.719  61.262
ATOM   1431  CA  GLU    90      63.534  70.926  60.514
ATOM   1432  C   GLU    90      64.566  71.718  59.789
ATOM   1433  O   GLU    90      64.425  72.636  59.019
ATOM   1434  CB  GLU    90      62.749  69.999  59.566
ATOM   1435  CG  GLU    90      62.827  70.403  58.103
ATOM   1436  CD  GLU    90      61.493  70.069  57.440
ATOM   1437  OE1 GLU    90      61.331  70.665  56.343
ATOM   1438  OE2 GLU    90      60.708  69.293  57.996
ATOM   1439  H   GLU    90      62.522  71.630  62.266
ATOM   1440  HA  GLU    90      64.057  70.264  61.252
ATOM   1441 1HB  GLU    90      61.694  69.976  59.940
ATOM   1442 2HB  GLU    90      63.172  68.964  59.654
ATOM   1443 1HG  GLU    90      63.584  69.752  57.593
ATOM   1444 2HG  GLU    90      62.954  71.480  57.928
ATOM   1445  N   GLY    91      65.792  71.242  60.097
ATOM   1446  CA  GLY    91      67.024  71.755  59.473
ATOM   1447  C   GLY    91      67.566  70.592  58.643
ATOM   1448  O   GLY    91      68.745  70.553  58.400
ATOM   1449  H   GLY    91      65.873  70.472  60.756
ATOM   1450 1HA  GLY    91      66.742  72.558  58.782
ATOM   1451 2HA  GLY    91      67.782  72.031  60.218
ATOM   1452  N   ASN    92      66.584  69.745  58.310
ATOM   1453  CA  ASN    92      66.736  68.518  57.566
ATOM   1454  C   ASN    92      66.286  67.359  58.453
ATOM   1455  O   ASN    92      65.992  66.257  58.053
ATOM   1456  CB  ASN    92      68.176  68.237  57.129
ATOM   1457  CG  ASN    92      68.159  66.930  56.408
ATOM   1458  OD1 ASN    92      67.845  66.874  55.234
ATOM   1459  ND2 ASN    92      68.518  65.919  57.187
ATOM   1460  H   ASN    92      65.642  70.013  58.634
ATOM   1461  HA  ASN    92      66.063  68.541  56.672
ATOM   1462 1HB  ASN    92      68.832  68.117  58.029
ATOM   1463 2HB  ASN    92      68.525  69.039  56.428
ATOM   1464 1HD2 ASN    92      68.762  66.104  58.158
ATOM   1465 2HD2 ASN    92      68.547  64.976  56.823
ATOM   1466  N   THR    93      66.248  67.700  59.757
ATOM   1467  CA  THR    93      65.861  66.818  60.835
ATOM   1468  C   THR    93      65.130  67.508  61.983
ATOM   1469  O   THR    93      65.669  68.459  62.516
ATOM   1470  CB  THR    93      67.050  65.985  61.374
ATOM   1471  OG1 THR    93      66.563  64.671  61.616
ATOM   1472  CG2 THR    93      67.555  66.482  62.724
ATOM   1473  H   THR    93      66.518  68.658  59.982
ATOM   1474  HA  THR    93      65.135  66.064  60.435
ATOM   1475  HB  THR    93      67.828  65.869  60.586
ATOM   1476 1HG  THR    93      65.761  64.780  62.100
ATOM   1477 1HG2 THR    93      68.013  67.496  62.636
ATOM   1478 2HG2 THR    93      68.317  65.770  63.110
ATOM   1479 3HG2 THR    93      66.740  66.527  63.491
ATOM   1480  N   LEU    94      63.961  66.942  62.244
ATOM   1481  CA  LEU    94      63.031  67.342  63.296
ATOM   1482  C   LEU    94      61.604  66.998  63.021
ATOM   1483  O   LEU    94      61.027  67.281  61.990
ATOM   1484  CB  LEU    94      63.187  68.833  63.682
ATOM   1485  CG  LEU    94      64.135  68.891  64.915
ATOM   1486  CD1 LEU    94      65.210  69.957  64.773
ATOM   1487  CD2 LEU    94      63.345  69.198  66.202
ATOM   1488  H   LEU    94      63.677  66.140  61.664
ATOM   1489  HA  LEU    94      63.315  66.760  64.213
ATOM   1490 1HB  LEU    94      62.196  69.208  63.976
ATOM   1491 2HB  LEU    94      63.611  69.420  62.858
ATOM   1492  HG  LEU    94      64.555  67.859  65.026
ATOM   1493 1HD1 LEU    94      65.205  70.624  65.673
ATOM   1494 2HD1 LEU    94      64.985  70.593  63.891
ATOM   1495 3HD1 LEU    94      66.221  69.488  64.654
ATOM   1496 1HD2 LEU    94      63.885  68.733  67.052
ATOM   1497 2HD2 LEU    94      62.330  68.742  66.116
ATOM   1498 3HD2 LEU    94      63.285  70.287  66.384
ATOM   1499  N   VAL    95      61.076  66.335  64.077
ATOM   1500  CA  VAL    95      59.713  65.839  64.106
ATOM   1501  C   VAL    95      59.054  65.814  65.453
ATOM   1502  O   VAL    95      57.989  65.205  65.566
ATOM   1503  CB  VAL    95      59.822  64.337  63.709
ATOM   1504  CG1 VAL    95      60.342  63.499  64.907
ATOM   1505  CG2 VAL    95      58.501  63.756  63.236
ATOM   1506  H   VAL    95      61.678  66.170  64.870
ATOM   1507  HA  VAL    95      59.131  66.431  63.376
ATOM   1508  HB  VAL    95      60.631  64.296  62.941
ATOM   1509 1HG1 VAL    95      59.723  63.649  65.812
ATOM   1510 2HG1 VAL    95      61.406  63.693  65.113
ATOM   1511 3HG1 VAL    95      60.180  62.434  64.601
ATOM   1512 1HG2 VAL    95      57.804  64.611  63.056
ATOM   1513 2HG2 VAL    95      58.101  63.104  64.054
ATOM   1514 3HG2 VAL    95      58.654  63.148  62.329
ATOM   1515  N   CYS    96      59.699  66.454  66.443
ATOM   1516  CA  CYS    96      59.181  66.516  67.824
ATOM   1517  C   CYS    96      57.787  67.132  67.735
ATOM   1518  O   CYS    96      57.573  68.314  67.859
ATOM   1519  CB  CYS    96      60.072  67.361  68.726
ATOM   1520  SG  CYS    96      60.068  66.566  70.368
ATOM   1521  H   CYS    96      60.566  66.892  66.168
ATOM   1522  HA  CYS    96      59.100  65.465  68.159
ATOM   1523 1HB  CYS    96      59.712  68.411  68.783
ATOM   1524 2HB  CYS    96      61.096  67.445  68.284
ATOM   1525  HG  CYS    96      61.096  67.265  70.858
ATOM   1526  N   VAL    97      56.892  66.189  67.494
ATOM   1527  CA  VAL    97      55.455  66.419  67.286
ATOM   1528  C   VAL    97      54.563  65.799  68.310
ATOM   1529  O   VAL    97      53.343  65.731  68.285
ATOM   1530  CB  VAL    97      55.163  65.826  65.876
ATOM   1531  CG1 VAL    97      53.675  65.737  65.577
ATOM   1532  CG2 VAL    97      55.827  66.747  64.812
ATOM   1533  H   VAL    97      57.220  65.237  67.430
ATOM   1534  HA  VAL    97      55.318  67.511  67.215
ATOM   1535  HB  VAL    97      55.691  64.855  65.826
ATOM   1536 1HG1 VAL    97      53.245  64.872  66.146
ATOM   1537 2HG1 VAL    97      53.453  65.626  64.488
ATOM   1538 3HG1 VAL    97      53.182  66.670  65.930
ATOM   1539 1HG2 VAL    97      56.119  66.099  63.964
ATOM   1540 2HG2 VAL    97      56.705  67.228  65.279
ATOM   1541 3HG2 VAL    97      55.065  67.463  64.462
ATOM   1542  N   GLN    98      55.252  65.275  69.349
ATOM   1543  CA  GLN    98      54.646  64.605  70.475
ATOM   1544  C   GLN    98      55.657  63.810  71.288
ATOM   1545  O   GLN    98      55.978  62.655  71.036
ATOM   1546  CB  GLN    98      53.673  63.522  69.931
ATOM   1547  CG  GLN    98      54.286  62.863  68.684
ATOM   1548  CD  GLN    98      53.562  61.563  68.373
ATOM   1549  OE1 GLN    98      52.514  61.272  68.920
ATOM   1550  NE2 GLN    98      54.211  60.832  67.475
ATOM   1551  H   GLN    98      56.253  65.390  69.294
ATOM   1552  HA  GLN    98      54.156  65.312  71.162
ATOM   1553 1HB  GLN    98      52.707  63.987  69.651
ATOM   1554 2HB  GLN    98      53.573  62.769  70.724
ATOM   1555 1HG  GLN    98      55.358  62.622  68.823
ATOM   1556 2HG  GLN    98      54.137  63.495  67.776
ATOM   1557 1HE2 GLN    98      53.825  59.943  67.186
ATOM   1558 2HE2 GLN    98      55.091  61.194  67.099
ATOM   1559  N   LYS    99      56.137  64.532  72.301
ATOM   1560  CA  LYS    99      57.130  63.893  73.177
ATOM   1561  C   LYS    99      57.041  64.491  74.559
ATOM   1562  O   LYS    99      57.479  65.594  74.782
ATOM   1563  CB  LYS    99      58.567  64.132  72.668
ATOM   1564  CG  LYS    99      58.837  63.384  71.343
ATOM   1565  CD  LYS    99      60.318  62.986  71.204
ATOM   1566  CE  LYS    99      60.442  61.961  70.065
ATOM   1567  NZ  LYS    99      60.776  60.607  70.625
ATOM   1568  H   LYS    99      55.811  65.497  72.458
ATOM   1569  HA  LYS    99      56.937  62.811  73.205
ATOM   1570 1HB  LYS    99      59.293  63.804  73.454
ATOM   1571 2HB  LYS    99      58.700  65.214  72.517
ATOM   1572 1HG  LYS    99      58.479  63.964  70.465
ATOM   1573 2HG  LYS    99      58.242  62.442  71.384
ATOM   1574 1HD  LYS    99      60.655  62.536  72.167
ATOM   1575 2HD  LYS    99      60.910  63.873  70.927
ATOM   1576 1HE  LYS    99      61.265  62.321  69.398
ATOM   1577 2HE  LYS    99      59.496  61.923  69.499
ATOM   1578 1HZ  LYS    99      61.374  60.688  71.439
ATOM   1579 2HZ  LYS    99      61.251  60.067  69.892
ATOM   1580 3HZ  LYS    99      59.901  60.150  70.866
ATOM   1581  N   GLY   100      56.448  63.696  75.453
ATOM   1582  CA  GLY   100      56.282  64.126  76.830
ATOM   1583  C   GLY   100      55.925  62.941  77.710
ATOM   1584  O   GLY   100      56.703  62.290  78.370
ATOM   1585  H   GLY   100      56.131  62.787  75.097
ATOM   1586 1HA  GLY   100      57.262  64.514  77.194
ATOM   1587 2HA  GLY   100      55.526  64.926  76.937
ATOM   1588  N   GLU   101      54.601  62.716  77.645
ATOM   1589  CA  GLU   101      53.953  61.643  78.379
ATOM   1590  C   GLU   101      53.186  60.746  77.439
ATOM   1591  O   GLU   101      52.893  61.046  76.296
ATOM   1592  CB  GLU   101      52.966  62.239  79.402
ATOM   1593  CG  GLU   101      53.111  61.516  80.761
ATOM   1594  CD  GLU   101      54.314  62.123  81.453
ATOM   1595  OE1 GLU   101      55.154  62.652  80.699
ATOM   1596  OE2 GLU   101      54.378  62.051  82.696
ATOM   1597  H   GLU   101      54.036  63.323  77.061
ATOM   1598  HA  GLU   101      54.729  61.006  78.869
ATOM   1599 1HB  GLU   101      51.928  62.104  79.018
ATOM   1600 2HB  GLU   101      53.136  63.320  79.548
ATOM   1601 1HG  GLU   101      53.288  60.439  80.589
ATOM   1602 2HG  GLU   101      52.226  61.728  81.392
ATOM   1603  N   LYS   102      52.850  59.577  77.982
ATOM   1604  CA  LYS   102      52.111  58.554  77.278
ATOM   1605  C   LYS   102      52.731  58.136  75.950
ATOM   1606  O   LYS   102      52.176  58.310  74.881
ATOM   1607  CB  LYS   102      50.690  59.068  76.953
ATOM   1608  CG  LYS   102      49.842  58.979  78.232
ATOM   1609  CD  LYS   102      48.534  58.227  77.885
ATOM   1610  CE  LYS   102      47.816  57.785  79.187
ATOM   1611  NZ  LYS   102      46.485  57.176  78.857
ATOM   1612  H   LYS   102      53.139  59.413  78.945
ATOM   1613  HA  LYS   102      52.013  57.613  77.866
ATOM   1614 1HB  LYS   102      50.229  58.396  76.192
ATOM   1615 2HB  LYS   102      50.737  60.105  76.594
ATOM   1616 1HG  LYS   102      49.567  59.981  78.593
ATOM   1617 2HG  LYS   102      50.387  58.443  79.047
ATOM   1618 1HD  LYS   102      48.765  57.316  77.307
ATOM   1619 2HD  LYS   102      47.864  58.893  77.320
ATOM   1620 1HE  LYS   102      47.709  58.691  79.809
ATOM   1621 2HE  LYS   102      48.402  57.017  79.733
ATOM   1622 1HZ  LYS   102      45.998  57.720  78.152
ATOM   1623 2HZ  LYS   102      45.918  57.193  79.716
ATOM   1624 3HZ  LYS   102      46.578  56.205  78.569
ATOM   1625  N   GLU   103      53.924  57.572  76.117
ATOM   1626  CA  GLU   103      54.731  57.072  75.028
ATOM   1627  C   GLU   103      55.424  58.152  74.207
ATOM   1628  O   GLU   103      55.026  59.295  74.158
ATOM   1629  CB  GLU   103      53.899  56.278  73.996
ATOM   1630  CG  GLU   103      52.970  55.270  74.715
ATOM   1631  CD  GLU   103      53.804  54.363  75.567
ATOM   1632  OE1 GLU   103      54.635  53.642  74.973
ATOM   1633  OE2 GLU   103      53.592  54.410  76.804
ATOM   1634  H   GLU   103      54.298  57.486  77.073
ATOM   1635  HA  GLU   103      55.542  56.431  75.455
ATOM   1636 1HB  GLU   103      54.601  55.695  73.374
ATOM   1637 2HB  GLU   103      53.325  56.997  73.379
ATOM   1638 1HG  GLU   103      52.482  54.647  73.923
ATOM   1639 2HG  GLU   103      52.276  55.869  75.332
ATOM   1640  N   ASN   104      56.483  57.616  73.595
ATOM   1641  CA  ASN   104      57.364  58.399  72.706
ATOM   1642  C   ASN   104      56.897  58.115  71.285
ATOM   1643  O   ASN   104      55.688  57.926  71.131
ATOM   1644  CB  ASN   104      58.779  57.883  72.930
ATOM   1645  CG  ASN   104      59.132  57.988  74.406
ATOM   1646  OD1 ASN   104      58.352  57.732  75.324
ATOM   1647  ND2 ASN   104      60.404  58.389  74.641
ATOM   1648  H   ASN   104      56.719  56.622  73.718
ATOM   1649  HA  ASN   104      57.200  59.454  72.963
ATOM   1650 1HB  ASN   104      59.547  58.453  72.346
ATOM   1651 2HB  ASN   104      58.804  56.804  72.670
ATOM   1652 1HD2 ASN   104      60.940  58.567  73.778
ATOM   1653 2HD2 ASN   104      60.636  58.450  75.643
ATOM   1654  N   ARG   105      57.840  58.095  70.357
ATOM   1655  CA  ARG   105      57.618  57.818  68.936
ATOM   1656  C   ARG   105      57.261  59.080  68.158
ATOM   1657  O   ARG   105      56.463  59.890  68.573
ATOM   1658  CB  ARG   105      56.589  56.723  68.689
ATOM   1659  CG  ARG   105      57.172  55.360  69.162
ATOM   1660  CD  ARG   105      56.518  54.959  70.485
ATOM   1661  NE  ARG   105      57.100  53.691  70.916
ATOM   1662  CZ  ARG   105      56.362  52.569  71.048
ATOM   1663  NH1 ARG   105      56.991  51.445  71.468
ATOM   1664  NH2 ARG   105      55.052  52.492  70.795
ATOM   1665  H   ARG   105      58.817  58.289  70.624
ATOM   1666  HA  ARG   105      58.605  57.466  68.535
ATOM   1667 1HB  ARG   105      56.439  56.651  67.580
ATOM   1668 2HB  ARG   105      55.606  56.918  69.145
ATOM   1669 1HG  ARG   105      58.254  55.522  69.349
ATOM   1670 2HG  ARG   105      56.986  54.630  68.353
ATOM   1671 1HD  ARG   105      55.424  54.881  70.338
ATOM   1672 2HD  ARG   105      56.744  55.729  71.255
ATOM   1673  HE  ARG   105      58.110  53.714  71.113
ATOM   1674 1HH1 ARG   105      58.001  51.522  71.652
ATOM   1675 2HH1 ARG   105      56.510  50.564  71.601
ATOM   1676 1HH2 ARG   105      54.473  53.261  70.476
ATOM   1677 2HH2 ARG   105      54.592  51.583  70.925
ATOM   1678  N   GLY   106      57.962  59.098  67.013
ATOM   1679  CA  GLY   106      57.796  60.212  66.112
ATOM   1680  C   GLY   106      58.992  60.483  65.206
ATOM   1681  O   GLY   106      58.763  60.778  64.049
ATOM   1682  H   GLY   106      58.594  58.322  66.818
ATOM   1683 1HA  GLY   106      56.871  60.158  65.501
ATOM   1684 2HA  GLY   106      57.720  61.146  66.730
ATOM   1685  N   TRP   107      60.160  60.373  65.841
ATOM   1686  CA  TRP   107      61.464  60.642  65.293
ATOM   1687  C   TRP   107      61.542  60.740  63.780
ATOM   1688  O   TRP   107      60.996  59.955  63.045
ATOM   1689  CB  TRP   107      62.582  59.723  65.857
ATOM   1690  CG  TRP   107      63.793  60.635  65.921
ATOM   1691  CD1 TRP   107      64.527  61.049  64.884
ATOM   1692  CD2 TRP   107      64.332  61.236  66.991
ATOM   1693  NE1 TRP   107      65.513  61.897  65.252
ATOM   1694  CE2 TRP   107      65.365  61.995  66.591
ATOM   1695  CE3 TRP   107      64.010  61.205  68.307
ATOM   1696  CZ2 TRP   107      66.089  62.726  67.449
ATOM   1697  CZ3 TRP   107      64.714  61.926  69.202
ATOM   1698  CH2 TRP   107      65.730  62.668  68.755
ATOM   1699  H   TRP   107      60.081  60.120  66.836
ATOM   1700  HA  TRP   107      61.732  61.671  65.659
ATOM   1701 1HB  TRP   107      62.763  58.855  65.210
ATOM   1702 2HB  TRP   107      62.362  59.413  66.887
ATOM   1703  HD1 TRP   107      64.402  60.800  63.812
ATOM   1704  HE1 TRP   107      66.209  62.372  64.643
ATOM   1705  HE3 TRP   107      63.160  60.579  68.632
ATOM   1706  HZ2 TRP   107      66.921  63.339  67.107
ATOM   1707  HZ3 TRP   107      64.448  61.898  70.264
ATOM   1708  HH2 TRP   107      66.312  63.274  69.445
ATOM   1709  N   LYS   108      62.296  61.814  63.448
ATOM   1710  CA  LYS   108      62.566  62.260  62.105
ATOM   1711  C   LYS   108      61.333  62.486  61.239
ATOM   1712  O   LYS   108      60.339  61.791  61.236
ATOM   1713  CB  LYS   108      63.412  61.235  61.323
ATOM   1714  CG  LYS   108      64.721  61.933  60.941
ATOM   1715  CD  LYS   108      64.493  62.808  59.682
ATOM   1716  CE  LYS   108      65.265  62.167  58.518
ATOM   1717  NZ  LYS   108      65.457  63.151  57.400
ATOM   1718  H   LYS   108      62.717  62.346  64.224
ATOM   1719  HA  LYS   108      63.045  63.272  62.152
ATOM   1720 1HB  LYS   108      62.866  60.927  60.420
ATOM   1721 2HB  LYS   108      63.586  60.379  62.025
ATOM   1722 1HG  LYS   108      65.459  61.139  60.708
ATOM   1723 2HG  LYS   108      65.023  62.554  61.811
ATOM   1724 1HD  LYS   108      64.809  63.849  59.872
ATOM   1725 2HD  LYS   108      63.415  62.810  59.411
ATOM   1726 1HE  LYS   108      64.679  61.301  58.144
ATOM   1727 2HE  LYS   108      66.257  61.859  58.919
ATOM   1728 1HZ  LYS   108      64.683  63.811  57.451
ATOM   1729 2HZ  LYS   108      65.366  62.646  56.511
ATOM   1730 3HZ  LYS   108      66.343  63.645  57.466
ATOM   1731  N   GLN   109      61.478  63.577  60.453
ATOM   1732  CA  GLN   109      60.388  63.949  59.530
ATOM   1733  C   GLN   109      60.826  65.216  58.834
ATOM   1734  O   GLN   109      60.829  66.248  59.507
ATOM   1735  CB  GLN   109      59.107  64.323  60.284
ATOM   1736  CG  GLN   109      58.204  65.148  59.328
ATOM   1737  CD  GLN   109      56.890  65.280  60.085
ATOM   1738  OE1 GLN   109      55.865  64.705  59.763
ATOM   1739  NE2 GLN   109      56.989  66.103  61.155
ATOM   1740  H   GLN   109      62.345  64.133  60.520
ATOM   1741  HA  GLN   109      60.161  63.150  58.815
ATOM   1742 1HB  GLN   109      59.303  64.867  61.220
ATOM   1743 2HB  GLN   109      58.546  63.372  60.463
ATOM   1744 1HG  GLN   109      58.013  64.551  58.427
ATOM   1745 2HG  GLN   109      58.593  66.167  59.185
ATOM   1746 1HE2 GLN   109      57.929  66.507  61.283
ATOM   1747 2HE2 GLN   109      56.109  66.197  61.685
ATOM   1748  N   TRP   110      61.199  65.118  57.575
ATOM   1749  CA  TRP   110      61.686  66.355  56.935
ATOM   1750  C   TRP   110      60.971  66.745  55.691
ATOM   1751  O   TRP   110      60.479  67.857  55.571
ATOM   1752  CB  TRP   110      63.199  66.127  56.755
ATOM   1753  CG  TRP   110      63.549  66.680  55.409
ATOM   1754  CD1 TRP   110      63.756  67.979  55.183
ATOM   1755  CD2 TRP   110      63.678  65.911  54.326
ATOM   1756  NE1 TRP   110      64.026  68.066  53.883
ATOM   1757  CE2 TRP   110      63.973  66.803  53.371
ATOM   1758  CE3 TRP   110      63.561  64.593  54.142
ATOM   1759  CZ2 TRP   110      64.155  66.290  52.120
ATOM   1760  CZ3 TRP   110      63.745  64.088  52.922
ATOM   1761  CH2 TRP   110      64.036  64.955  51.914
ATOM   1762  H   TRP   110      61.206  64.274  57.027
ATOM   1763  HA  TRP   110      61.605  67.224  57.642
ATOM   1764 1HB  TRP   110      63.400  65.040  56.765
ATOM   1765 2HB  TRP   110      63.745  66.655  57.565
ATOM   1766  HD1 TRP   110      63.692  68.737  55.958
ATOM   1767  HE1 TRP   110      64.239  68.940  53.359
ATOM   1768  HE3 TRP   110      63.322  63.924  54.967
ATOM   1769  HZ2 TRP   110      64.391  66.986  51.314
ATOM   1770  HZ3 TRP   110      63.668  63.009  52.709
ATOM   1771  HH2 TRP   110      64.164  64.514  50.929
ATOM   1772  N   VAL   111      60.865  65.825  54.730
ATOM   1773  CA  VAL   111      60.142  66.042  53.483
ATOM   1774  C   VAL   111      60.572  67.214  52.668
ATOM   1775  O   VAL   111      61.252  68.162  53.044
ATOM   1776  CB  VAL   111      58.650  66.233  53.879
ATOM   1777  CG1 VAL   111      57.997  67.395  53.119
ATOM   1778  CG2 VAL   111      57.863  64.934  53.656
ATOM   1779  H   VAL   111      61.308  64.930  54.923
ATOM   1780  HA  VAL   111      60.219  65.125  52.842
ATOM   1781  HB  VAL   111      58.633  66.518  54.959
ATOM   1782 1HG1 VAL   111      57.910  67.205  52.040
ATOM   1783 2HG1 VAL   111      58.560  68.343  53.324
ATOM   1784 3HG1 VAL   111      56.964  67.563  53.522
ATOM   1785 1HG2 VAL   111      58.507  64.032  53.748
ATOM   1786 2HG2 VAL   111      57.457  64.972  52.625
ATOM   1787 3HG2 VAL   111      57.035  64.924  54.401
ATOM   1788  N   GLU   112      60.123  67.127  51.420
ATOM   1789  CA  GLU   112      60.381  68.156  50.396
ATOM   1790  C   GLU   112      61.829  68.402  50.124
ATOM   1791  O   GLU   112      62.531  69.111  50.830
ATOM   1792  CB  GLU   112      59.687  69.483  50.796
ATOM   1793  CG  GLU   112      58.867  70.029  49.607
ATOM   1794  CD  GLU   112      57.416  69.959  49.997
ATOM   1795  OE1 GLU   112      56.905  70.999  50.466
ATOM   1796  OE2 GLU   112      56.804  68.880  49.825
ATOM   1797  H   GLU   112      59.555  66.325  51.109
ATOM   1798  HA  GLU   112      59.862  67.785  49.481
ATOM   1799 1HB  GLU   112      60.438  70.214  51.142
ATOM   1800 2HB  GLU   112      58.984  69.267  51.626
ATOM   1801 1HG  GLU   112      59.009  69.340  48.754
ATOM   1802 2HG  GLU   112      59.150  71.095  49.452
ATOM   1803  N   GLY   113      62.304  67.783  49.041
ATOM   1804  CA  GLY   113      63.681  67.891  48.617
ATOM   1805  C   GLY   113      64.216  66.667  47.886
ATOM   1806  O   GLY   113      65.030  65.931  48.396
ATOM   1807  H   GLY   113      61.643  67.216  48.516
ATOM   1808 1HA  GLY   113      63.809  68.737  47.904
ATOM   1809 2HA  GLY   113      64.381  68.058  49.476
ATOM   1810  N   ASP   114      63.718  66.485  46.656
ATOM   1811  CA  ASP   114      64.081  65.405  45.768
ATOM   1812  C   ASP   114      63.809  64.012  46.299
ATOM   1813  O   ASP   114      64.693  63.179  46.241
ATOM   1814  CB  ASP   114      65.596  65.501  45.450
ATOM   1815  CG  ASP   114      65.852  66.847  44.814
ATOM   1816  OD1 ASP   114      66.244  66.871  43.635
ATOM   1817  OD2 ASP   114      65.634  67.821  45.572
ATOM   1818  H   ASP   114      63.035  67.194  46.361
ATOM   1819  HA  ASP   114      63.475  65.512  44.833
ATOM   1820 1HB  ASP   114      65.899  64.743  44.710
ATOM   1821 2HB  ASP   114      66.184  65.507  46.393
ATOM   1822  N   LYS   115      62.578  63.926  46.777
ATOM   1823  CA  LYS   115      61.984  62.721  47.374
ATOM   1824  C   LYS   115      62.055  62.885  48.875
ATOM   1825  O   LYS   115      62.697  63.836  49.323
ATOM   1826  CB  LYS   115      62.658  61.436  46.919
ATOM   1827  CG  LYS   115      62.517  61.348  45.373
ATOM   1828  CD  LYS   115      63.807  60.709  44.851
ATOM   1829  CE  LYS   115      64.256  61.558  43.627
ATOM   1830  NZ  LYS   115      63.857  60.916  42.335
ATOM   1831  H   LYS   115      61.968  64.757  46.765
ATOM   1832  HA  LYS   115      60.884  62.706  47.154
ATOM   1833 1HB  LYS   115      62.098  60.562  47.345
ATOM   1834 2HB  LYS   115      63.713  61.359  47.224
ATOM   1835 1HG  LYS   115      62.366  62.376  45.010
ATOM   1836 2HG  LYS   115      61.658  60.694  45.116
ATOM   1837 1HD  LYS   115      63.633  59.656  44.567
ATOM   1838 2HD  LYS   115      64.584  60.752  45.640
ATOM   1839 1HE  LYS   115      65.352  61.652  43.713
ATOM   1840 2HE  LYS   115      63.798  62.570  43.726
ATOM   1841 1HZ  LYS   115      62.866  61.129  42.175
ATOM   1842 2HZ  LYS   115      64.031  59.920  42.354
ATOM   1843 3HZ  LYS   115      64.393  61.328  41.560
ATOM   1844  N   LEU   116      61.399  61.978  49.593
ATOM   1845  CA  LEU   116      61.452  62.150  51.057
ATOM   1846  C   LEU   116      61.482  60.878  51.835
ATOM   1847  O   LEU   116      61.137  59.808  51.392
ATOM   1848  CB  LEU   116      60.315  63.080  51.546
ATOM   1849  CG  LEU   116      58.952  62.684  50.948
ATOM   1850  CD1 LEU   116      58.914  63.170  49.478
ATOM   1851  CD2 LEU   116      58.730  61.165  51.008
ATOM   1852  H   LEU   116      60.881  61.210  49.145
ATOM   1853  HA  LEU   116      62.416  62.673  51.291
ATOM   1854 1HB  LEU   116      60.555  64.125  51.221
ATOM   1855 2HB  LEU   116      60.314  63.023  52.642
ATOM   1856  HG  LEU   116      58.179  63.182  51.566
ATOM   1857 1HD1 LEU   116      58.092  63.874  49.292
ATOM   1858 2HD1 LEU   116      58.807  62.285  48.821
ATOM   1859 3HD1 LEU   116      59.867  63.720  49.270
ATOM   1860 1HD2 LEU   116      59.353  60.686  50.210
ATOM   1861 2HD2 LEU   116      57.668  60.888  50.903
ATOM   1862 3HD2 LEU   116      59.102  60.763  51.981
ATOM   1863  N   TYR   117      61.957  61.117  53.080
ATOM   1864  CA  TYR   117      62.081  59.981  53.988
ATOM   1865  C   TYR   117      62.366  60.404  55.418
ATOM   1866  O   TYR   117      63.178  61.256  55.715
ATOM   1867  CB  TYR   117      63.183  59.051  53.472
ATOM   1868  CG  TYR   117      63.863  59.605  52.239
ATOM   1869  CD1 TYR   117      63.776  58.964  51.002
ATOM   1870  CD2 TYR   117      64.598  60.786  52.270
ATOM   1871  CE1 TYR   117      64.405  59.485  49.860
ATOM   1872  CE2 TYR   117      65.223  61.307  51.126
ATOM   1873  CZ  TYR   117      65.132  60.656  49.914
ATOM   1874  OH  TYR   117      65.732  61.135  48.790
ATOM   1875  H   TYR   117      62.213  62.050  53.367
ATOM   1876  HA  TYR   117      61.070  59.503  54.021
ATOM   1877 1HB  TYR   117      62.721  58.067  53.267
ATOM   1878 2HB  TYR   117      63.943  58.915  54.284
ATOM   1879  HD1 TYR   117      63.220  58.038  50.857
ATOM   1880  HD2 TYR   117      64.719  61.372  53.190
ATOM   1881  HE1 TYR   117      64.330  58.957  48.891
ATOM   1882  HE2 TYR   117      65.791  62.249  51.199
ATOM   1883  HH  TYR   117      65.900  60.399  48.173
ATOM   1884  N   LEU   118      61.586  59.698  56.259
ATOM   1885  CA  LEU   118      61.724  59.975  57.690
ATOM   1886  C   LEU   118      61.796  58.687  58.482
ATOM   1887  O   LEU   118      62.186  57.675  57.899
ATOM   1888  CB  LEU   118      60.560  60.844  58.156
ATOM   1889  CG  LEU   118      59.281  60.028  58.442
ATOM   1890  CD1 LEU   118      58.101  61.017  58.445
ATOM   1891  CD2 LEU   118      58.994  59.009  57.313
ATOM   1892  H   LEU   118      60.938  59.012  55.891
ATOM   1893  HA  LEU   118      62.706  60.491  57.853
ATOM   1894 1HB  LEU   118      60.294  61.577  57.354
ATOM   1895 2HB  LEU   118      60.896  61.388  59.071
ATOM   1896  HG  LEU   118      59.306  59.551  59.433
ATOM   1897 1HD1 LEU   118      58.132  61.566  59.412
ATOM   1898 2HD1 LEU   118      57.119  60.479  58.386
ATOM   1899 3HD1 LEU   118      58.195  61.760  57.634
ATOM   1900 1HD2 LEU   118      59.803  58.265  57.231
ATOM   1901 2HD2 LEU   118      58.891  59.608  56.375
ATOM   1902 3HD2 LEU   118      58.062  58.478  57.563
ATOM   1903  N   GLU   119      61.429  58.766  59.755
ATOM   1904  CA  GLU   119      61.434  57.646  60.702
ATOM   1905  C   GLU   119      62.834  57.462  61.209
ATOM   1906  O   GLU   119      63.768  57.548  60.410
ATOM   1907  CB  GLU   119      60.896  56.349  60.088
ATOM   1908  CG  GLU   119      59.402  56.548  59.735
ATOM   1909  CD  GLU   119      58.959  55.558  58.707
ATOM   1910  OE1 GLU   119      59.829  55.063  57.944
ATOM   1911  OE2 GLU   119      57.753  55.262  58.647
ATOM   1912  H   GLU   119      61.129  59.677  60.131
ATOM   1913  HA  GLU   119      60.778  57.906  61.568
ATOM   1914 1HB  GLU   119      60.955  55.570  60.892
ATOM   1915 2HB  GLU   119      61.485  55.988  59.234
ATOM   1916 1HG  GLU   119      59.294  57.592  59.360
ATOM   1917 2HG  GLU   119      58.771  56.395  60.648
ATOM   1918  N   LEU   120      62.949  57.211  62.534
ATOM   1919  CA  LEU   120      64.301  57.012  63.087
ATOM   1920  C   LEU   120      64.349  55.810  63.985
ATOM   1921  O   LEU   120      64.990  54.797  63.714
ATOM   1922  CB  LEU   120      64.779  58.276  63.859
ATOM   1923  CG  LEU   120      66.064  58.817  63.184
ATOM   1924  CD1 LEU   120      66.866  59.736  64.119
ATOM   1925  CD2 LEU   120      67.021  57.682  62.772
ATOM   1926  H   LEU   120      62.108  57.154  63.106
ATOM   1927  HA  LEU   120      64.972  56.910  62.224
ATOM   1928 1HB  LEU   120      64.984  57.980  64.896
ATOM   1929 2HB  LEU   120      63.963  59.007  63.766
ATOM   1930  HG  LEU   120      65.720  59.352  62.267
ATOM   1931 1HD1 LEU   120      66.493  59.657  65.155
ATOM   1932 2HD1 LEU   120      66.770  60.769  63.715
ATOM   1933 3HD1 LEU   120      67.956  59.486  64.099
ATOM   1934 1HD2 LEU   120      66.677  56.715  63.206
ATOM   1935 2HD2 LEU   120      68.054  57.849  63.112
ATOM   1936 3HD2 LEU   120      67.012  57.590  61.655
ATOM   1937  N   THR   121      63.620  56.001  65.076
ATOM   1938  CA  THR   121      63.480  54.991  66.141
ATOM   1939  C   THR   121      62.330  55.394  67.023
ATOM   1940  O   THR   121      62.355  56.450  67.613
ATOM   1941  CB  THR   121      64.796  54.836  66.895
ATOM   1942  OG1 THR   121      64.609  53.750  67.787
ATOM   1943  CG2 THR   121      65.164  56.096  67.708
ATOM   1944  H   THR   121      63.138  56.900  65.161
ATOM   1945  HA  THR   121      63.211  54.023  65.647
ATOM   1946  HB  THR   121      65.570  54.495  66.161
ATOM   1947 1HG  THR   121      63.697  53.492  67.735
ATOM   1948 1HG2 THR   121      65.165  56.984  67.045
ATOM   1949 2HG2 THR   121      66.197  55.944  68.091
ATOM   1950 3HG2 THR   121      64.473  56.259  68.557
ATOM   1951  N   CYS   122      61.315  54.538  67.107
ATOM   1952  CA  CYS   122      60.138  54.844  67.942
ATOM   1953  C   CYS   122      59.708  53.701  68.811
ATOM   1954  O   CYS   122      59.666  53.783  70.034
ATOM   1955  CB  CYS   122      58.983  55.120  66.943
ATOM   1956  SG  CYS   122      59.599  55.306  65.254
ATOM   1957  H   CYS   122      61.307  53.653  66.615
ATOM   1958  HA  CYS   122      60.318  55.704  68.603
ATOM   1959 1HB  CYS   122      58.403  56.017  67.233
ATOM   1960 2HB  CYS   122      58.258  54.275  66.990
ATOM   1961  HG  CYS   122      60.065  54.075  65.070
ATOM   1962  N   GLY   123      59.387  52.620  68.102
ATOM   1963  CA  GLY   123      58.946  51.393  68.736
ATOM   1964  C   GLY   123      58.171  50.508  67.779
ATOM   1965  O   GLY   123      57.087  50.006  68.065
ATOM   1966  H   GLY   123      59.462  52.689  67.098
ATOM   1967 1HA  GLY   123      59.810  50.829  69.143
ATOM   1968 2HA  GLY   123      58.274  51.681  69.582
ATOM   1969  N   ASP   124      58.798  50.351  66.619
ATOM   1970  CA  ASP   124      58.292  49.548  65.499
ATOM   1971  C   ASP   124      59.296  48.473  65.173
ATOM   1972  O   ASP   124      59.187  47.835  64.145
ATOM   1973  CB  ASP   124      58.168  50.415  64.220
ATOM   1974  CG  ASP   124      56.845  51.156  64.237
ATOM   1975  OD1 ASP   124      55.975  50.809  65.056
ATOM   1976  OD2 ASP   124      56.737  52.080  63.391
ATOM   1977  H   ASP   124      59.698  50.817  66.478
ATOM   1978  HA  ASP   124      57.360  49.023  65.746
ATOM   1979 1HB  ASP   124      58.220  49.755  63.324
ATOM   1980 2HB  ASP   124      58.941  51.195  64.240
ATOM   1981  N   GLN   125      60.230  48.368  66.126
ATOM   1982  CA  GLN   125      61.278  47.354  65.919
ATOM   1983  C   GLN   125      61.937  47.655  64.579
ATOM   1984  O   GLN   125      61.933  46.860  63.667
ATOM   1985  CB  GLN   125      60.647  45.967  65.911
ATOM   1986  CG  GLN   125      61.196  45.090  67.073
ATOM   1987  CD  GLN   125      60.485  45.563  68.302
ATOM   1988  OE1 GLN   125      59.345  45.173  68.533
ATOM   1989  NE2 GLN   125      61.196  46.415  69.077
ATOM   1990  H   GLN   125      60.201  48.965  66.940
ATOM   1991  HA  GLN   125      62.036  47.408  66.716
ATOM   1992 1HB  GLN   125      60.847  45.394  64.984
ATOM   1993 2HB  GLN   125      59.536  46.039  66.025
ATOM   1994 1HG  GLN   125      62.284  45.286  67.139
ATOM   1995 2HG  GLN   125      60.984  44.017  66.884
ATOM   1996 1HE2 GLN   125      62.138  46.616  68.709
ATOM   1997 2HE2 GLN   125      60.684  46.730  69.915
ATOM   1998  N   VAL   126      62.485  48.876  64.581
ATOM   1999  CA  VAL   126      63.197  49.473  63.468
ATOM   2000  C   VAL   126      62.406  49.655  62.208
ATOM   2001  O   VAL   126      61.878  48.706  61.649
ATOM   2002  CB  VAL   126      64.362  48.502  63.125
ATOM   2003  CG1 VAL   126      65.064  49.012  61.868
ATOM   2004  CG2 VAL   126      65.372  48.565  64.278
ATOM   2005  H   VAL   126      62.385  49.416  65.450
ATOM   2006  HA  VAL   126      63.610  50.455  63.810
ATOM   2007  HB  VAL   126      64.004  47.458  63.035
ATOM   2008 1HG1 VAL   126      65.081  50.125  61.918
ATOM   2009 2HG1 VAL   126      64.519  48.671  60.963
ATOM   2010 3HG1 VAL   126      66.132  48.682  61.860
ATOM   2011 1HG2 VAL   126      64.865  48.332  65.231
ATOM   2012 2HG2 VAL   126      65.796  49.598  64.370
ATOM   2013 3HG2 VAL   126      66.210  47.835  64.139
ATOM   2014  N   CYS   127      62.312  50.901  61.735
ATOM   2015  CA  CYS   127      61.566  51.214  60.503
ATOM   2016  C   CYS   127      62.367  52.186  59.684
ATOM   2017  O   CYS   127      63.015  53.058  60.258
ATOM   2018  CB  CYS   127      60.224  51.852  60.909
ATOM   2019  SG  CYS   127      60.437  53.102  62.214
ATOM   2020  H   CYS   127      62.763  51.684  62.226
ATOM   2021  HA  CYS   127      61.438  50.314  59.875
ATOM   2022 1HB  CYS   127      59.536  51.063  61.267
ATOM   2023 2HB  CYS   127      59.730  52.321  60.030
ATOM   2024  HG  CYS   127      59.325  53.798  61.984
ATOM   2025  N   ARG   128      62.312  52.024  58.355
ATOM   2026  CA  ARG   128      63.090  52.970  57.541
ATOM   2027  C   ARG   128      62.573  53.166  56.148
ATOM   2028  O   ARG   128      62.632  52.232  55.346
ATOM   2029  CB  ARG   128      64.525  52.419  57.462
ATOM   2030  CG  ARG   128      65.581  53.551  57.488
ATOM   2031  CD  ARG   128      66.931  52.983  57.004
ATOM   2032  NE  ARG   128      68.005  53.928  57.126
ATOM   2033  CZ  ARG   128      68.871  53.958  58.158
ATOM   2034  NH1 ARG   128      68.816  53.089  59.186
ATOM   2035  NH2 ARG   128      69.850  54.890  58.184
ATOM   2036  H   ARG   128      61.748  51.269  57.944
ATOM   2037  HA  ARG   128      63.101  53.965  58.045
ATOM   2038 1HB  ARG   128      64.631  51.880  56.505
ATOM   2039 2HB  ARG   128      64.657  51.727  58.329
ATOM   2040 1HG  ARG   128      65.657  53.989  58.508
ATOM   2041 2HG  ARG   128      65.271  54.351  56.799
ATOM   2042 1HD  ARG   128      66.829  52.732  55.917
ATOM   2043 2HD  ARG   128      67.163  52.070  57.603
ATOM   2044  HE  ARG   128      68.122  54.621  56.383
ATOM   2045 1HH1 ARG   128      68.118  52.356  59.250
ATOM   2046 2HH1 ARG   128      69.508  53.163  59.941
ATOM   2047 1HH2 ARG   128      70.509  54.925  58.962
ATOM   2048 2HH2 ARG   128      69.941  55.562  57.434
ATOM   2049  N   GLN   129      62.077  54.388  55.880
ATOM   2050  CA  GLN   129      61.569  54.619  54.519
ATOM   2051  C   GLN   129      62.613  55.046  53.531
ATOM   2052  O   GLN   129      63.642  55.586  53.934
ATOM   2053  CB  GLN   129      60.405  55.638  54.550
ATOM   2054  CG  GLN   129      59.137  54.923  55.076
ATOM   2055  CD  GLN   129      58.526  54.149  53.926
ATOM   2056  OE1 GLN   129      57.718  54.607  53.145
ATOM   2057  NE2 GLN   129      58.967  52.874  53.842
ATOM   2058  H   GLN   129      62.060  55.109  56.612
ATOM   2059  HA  GLN   129      61.185  53.640  54.143
ATOM   2060 1HB  GLN   129      60.200  55.975  53.523
ATOM   2061 2HB  GLN   129      60.708  56.472  55.207
ATOM   2062 1HG  GLN   129      58.421  55.652  55.481
ATOM   2063 2HG  GLN   129      59.464  54.155  55.811
ATOM   2064 1HE2 GLN   129      58.603  52.284  53.089
ATOM   2065 2HE2 GLN   129      59.641  52.515  54.503
ATOM   2066  N   VAL   130      62.369  54.819  52.248
ATOM   2067  CA  VAL   130      63.352  55.214  51.225
ATOM   2068  C   VAL   130      62.579  55.508  49.945
ATOM   2069  O   VAL   130      62.836  55.062  48.849
ATOM   2070  CB  VAL   130      64.323  54.095  50.876
ATOM   2071  CG1 VAL   130      65.386  54.567  49.847
ATOM   2072  CG2 VAL   130      65.123  53.592  52.104
ATOM   2073  H   VAL   130      61.497  54.376  51.929
ATOM   2074  HA  VAL   130      63.861  56.136  51.549
ATOM   2075  HB  VAL   130      63.796  53.201  50.467
ATOM   2076 1HG1 VAL   130      66.390  54.558  50.312
ATOM   2077 2HG1 VAL   130      65.158  55.603  49.515
ATOM   2078 3HG1 VAL   130      65.395  53.848  49.010
ATOM   2079 1HG2 VAL   130      65.261  54.448  52.791
ATOM   2080 2HG2 VAL   130      66.122  53.234  51.770
ATOM   2081 3HG2 VAL   130      64.608  52.743  52.588
ATOM   2082  N   PHE   131      61.563  56.342  50.245
ATOM   2083  CA  PHE   131      60.599  56.835  49.272
ATOM   2084  C   PHE   131      61.215  57.515  48.094
ATOM   2085  O   PHE   131      62.413  57.776  48.006
ATOM   2086  CB  PHE   131      59.703  57.897  49.963
ATOM   2087  CG  PHE   131      58.265  57.512  49.833
ATOM   2088  CD1 PHE   131      57.421  58.114  48.914
ATOM   2089  CD2 PHE   131      57.797  56.515  50.680
ATOM   2090  CE1 PHE   131      56.094  57.747  48.799
ATOM   2091  CE2 PHE   131      56.471  56.151  50.562
ATOM   2092  CZ  PHE   131      55.627  56.750  49.638
ATOM   2093  H   PHE   131      61.455  56.650  51.222
ATOM   2094  HA  PHE   131      59.975  55.981  48.903
ATOM   2095 1HB  PHE   131      59.912  58.872  49.503
ATOM   2096 2HB  PHE   131      59.962  57.871  51.049
ATOM   2097  HD1 PHE   131      57.822  58.891  48.264
ATOM   2098  HD2 PHE   131      58.460  56.035  51.411
ATOM   2099  HE1 PHE   131      55.398  58.200  48.083
ATOM   2100  HE2 PHE   131      56.087  55.372  51.218
ATOM   2101  HZ  PHE   131      54.583  56.453  49.554
ATOM   2102  N   LYS   132      60.340  57.815  47.149
ATOM   2103  CA  LYS   132      60.736  58.493  45.902
ATOM   2104  C   LYS   132      59.633  59.500  45.592
ATOM   2105  O   LYS   132      58.879  59.813  46.504
ATOM   2106  CB  LYS   132      60.663  57.473  44.771
ATOM   2107  CG  LYS   132      61.043  56.051  45.225
ATOM   2108  CD  LYS   132      60.612  55.079  44.096
ATOM   2109  CE  LYS   132      60.703  55.736  42.709
ATOM   2110  NZ  LYS   132      60.826  54.683  41.636
ATOM   2111  H   LYS   132      59.338  57.597  47.240
ATOM   2112  HA  LYS   132      61.700  59.004  46.008
ATOM   2113 1HB  LYS   132      61.370  57.816  43.973
ATOM   2114 2HB  LYS   132      59.642  57.456  44.310
ATOM   2115 1HG  LYS   132      60.492  55.737  46.132
ATOM   2116 2HG  LYS   132      62.135  56.005  45.356
ATOM   2117 1HD  LYS   132      59.565  54.749  44.272
ATOM   2118 2HD  LYS   132      61.334  54.246  44.109
ATOM   2119 1HE  LYS   132      61.547  56.442  42.672
ATOM   2120 2HE  LYS   132      59.750  56.286  42.510
ATOM   2121 1HZ  LYS   132      60.991  55.135  40.745
ATOM   2122 2HZ  LYS   132      59.932  54.174  41.617
ATOM   2123 3HZ  LYS   132      61.587  54.039  41.823
ATOM   2124  N   LYS   133      59.611  59.934  44.340
ATOM   2125  CA  LYS   133      58.575  60.883  43.947
ATOM   2126  C   LYS   133      58.611  62.195  44.668
ATOM   2127  O   LYS   133      59.244  62.325  45.688
ATOM   2128  CB  LYS   133      57.196  60.191  44.152
ATOM   2129  CG  LYS   133      57.189  58.900  43.298
ATOM   2130  CD  LYS   133      57.862  59.112  41.930
ATOM   2131  CE  LYS   133      57.271  58.059  40.970
ATOM   2132  NZ  LYS   133      57.930  58.182  39.634
ATOM   2133  H   LYS   133      60.328  59.583  43.724
ATOM   2134  HA  LYS   133      58.627  61.133  42.860
ATOM   2135 1HB  LYS   133      56.450  60.906  43.782
ATOM   2136 2HB  LYS   133      57.040  59.909  45.201
ATOM   2137 1HG  LYS   133      56.146  58.585  43.096
ATOM   2138 2HG  LYS   133      57.763  58.113  43.828
ATOM   2139 1HD  LYS   133      58.943  58.908  42.024
ATOM   2140 2HD  LYS   133      57.690  60.136  41.533
ATOM   2141 1HE  LYS   133      56.184  58.309  40.857
ATOM   2142 2HE  LYS   133      57.449  57.074  41.427
ATOM   2143 1HZ  LYS   133      57.692  59.088  39.227
ATOM   2144 2HZ  LYS   133      57.607  57.452  39.001
ATOM   2145 3HZ  LYS   133      58.949  58.147  39.741
ATOM   2146  N   LYS   134      57.910  63.178  44.110
ATOM   2147  CA  LYS   134      57.906  64.498  44.747
ATOM   2148  C   LYS   134      57.057  65.521  44.064
ATOM   2149  O   LYS   134      57.298  66.715  44.354
ATOM   2150  CB  LYS   134      59.384  64.979  44.812
ATOM   2151  CG  LYS   134      60.125  64.640  43.490
ATOM   2152  CD  LYS   134      59.501  65.543  42.405
ATOM   2153  CE  LYS   134      60.493  65.597  41.229
ATOM   2154  NZ  LYS   134      60.702  66.994  40.747
ATOM   2155  OXT LYS   134      56.199  65.072  43.276
ATOM   2156  H   LYS   134      57.413  62.946  43.262
ATOM   2157  HA  LYS   134      57.486  64.354  45.771
ATOM   2158 1HB  LYS   134      59.903  64.522  45.669
ATOM   2159 2HB  LYS   134      59.436  66.076  44.925
ATOM   2160 1HG  LYS   134      59.975  63.589  43.197
ATOM   2161 2HG  LYS   134      61.187  64.908  43.574
ATOM   2162 1HD  LYS   134      59.409  66.576  42.809
ATOM   2163 2HD  LYS   134      58.527  65.120  42.118
ATOM   2164 1HE  LYS   134      60.065  64.991  40.396
ATOM   2165 2HE  LYS   134      61.466  65.192  41.594
ATOM   2166 1HZ  LYS   134      59.941  67.246  40.106
ATOM   2167 2HZ  LYS   134      61.612  67.101  40.293
ATOM   2168 3HZ  LYS   134      60.696  67.641  41.538
ATOM   2169  C1    1   135       2.394   0.000   0.466
ATOM   2170  C2    1   135       1.836   1.406   0.246
ATOM   2171  C3    1   135       0.336   1.406  -0.047
ATOM   2172  C4    1   135      -0.264   0.000  -0.051
ATOM   2173  C5    1   135       0.563  -0.956  -0.728
ATOM   2174  C6    1   135       1.881  -0.956  -0.471
ATOM   2175  C7    1   135       2.874  -1.461  -1.424
ATOM   2176  C8    1   135       3.650  -2.527  -1.168
ATOM   2177  C9    1   135       4.643  -3.032  -2.121
ATOM   2178  C10   1   135       5.961  -3.032  -1.864
ATOM   2179  C11   1   135       6.953  -3.537  -2.818
ATOM   2180  C12   1   135       7.730  -4.602  -2.561
ATOM   2181  C13   1   135       8.722  -5.107  -3.514
ATOM   2182  C14   1   135      10.040  -5.107  -3.257
ATOM   2183  C15   1   135      11.061  -5.623  -4.231
ATOM   2184  C16   1   135       3.919  -0.021   0.565
ATOM   2185  C17   1   135       2.268  -0.464   1.918
ATOM   2186  C18   1   135      -0.017  -1.471  -2.014
ATOM   2187  C19   1   135       4.064  -3.529  -3.415
ATOM   2188  C20   1   135       8.143  -5.604  -4.808
ATOM   2189 1H2    1   135       2.383   1.918  -0.546
ATOM   2190 2H2    1   135       2.063   2.048   1.097
ATOM   2191 1H3    1   135      -0.194   2.048   0.657
ATOM   2192 2H3    1   135       0.126   1.918  -0.986
ATOM   2193 1H4    1   135      -1.261   0.008  -0.491
ATOM   2194 2H4    1   135      -0.466  -0.336   0.966
ATOM   2195  H7    1   135       3.119  -0.776  -2.215
ATOM   2196  H8    1   135       3.405  -3.212  -0.377
ATOM   2197  H10   1   135       6.299  -3.002  -0.845
ATOM   2198  H11   1   135       7.198  -2.852  -3.608
ATOM   2199  H12   1   135       7.485  -5.287  -1.770
ATOM   2200  H14   1   135      10.380  -5.020  -2.242
ATOM   2201 1H15   1   135      11.028  -5.039  -5.150
ATOM   2202 2H15   1   135      10.887  -6.681  -4.427
ATOM   2203 1H16   1   135       4.269   0.717   1.285
ATOM   2204 2H16   1   135       4.371   0.213  -0.399
ATOM   2205 3H16   1   135       4.270  -1.000   0.893
ATOM   2206 1H17   1   135       2.667   0.288   2.599
ATOM   2207 2H17   1   135       2.825  -1.387   2.077
ATOM   2208 3H17   1   135       1.223  -0.629   2.180
ATOM   2209 1H18   1   135       0.664  -2.190  -2.469
ATOM   2210 2H18   1   135      -0.153  -0.650  -2.717
ATOM   2211 3H18   1   135      -0.960  -1.983  -1.819
ATOM   2212 1H19   1   135       4.860  -3.886  -4.067
ATOM   2213 2H19   1   135       3.550  -2.717  -3.930
ATOM   2214 3H19   1   135       3.389  -4.364  -3.225
ATOM   2215 1H20   1   135       8.940  -5.961  -5.460
ATOM   2216 2H20   1   135       7.630  -4.793  -5.323
ATOM   2217 3H20   1   135       7.469  -6.439  -4.618
ATOM   2218  O48   1   135      12.346  -5.490  -3.677
ATOM   2219  H51   1   135      12.956  -5.826  -4.320
CONECT 2169 2170 2174 2184 2185
CONECT 2170 2169 2171 2189 2190
CONECT 2171 2170 2172 2191 2192
CONECT 2172 2171 2173 2193 2194
CONECT 2173 2172 2174 2186
CONECT 2174 2169 2173 2175
CONECT 2175 2174 2176 2195
CONECT 2176 2175 2177 2196
CONECT 2177 2176 2178 2187
CONECT 2178 2177 2179 2197
CONECT 2179 2178 2180 2198
CONECT 2180 2179 2181 2199
CONECT 2181 2180 2182 2188
CONECT 2182 2181 2183 2200
CONECT 2183 2182 2201 2202 2218
CONECT 2184 2169 2203 2204 2205
CONECT 2185 2169 2206 2207 2208
CONECT 2186 2173 2209 2210 2211
CONECT 2187 2177 2212 2213 2214
CONECT 2188 2181 2215 2216 2217
CONECT 2189 2170
CONECT 2190 2170
CONECT 2191 2171
CONECT 2192 2171
CONECT 2193 2172
CONECT 2194 2172
CONECT 2195 2175
CONECT 2196 2176
CONECT 2197 2178
CONECT 2198 2179
CONECT 2199 2180
CONECT 2200 2182
CONECT 2201 2183
CONECT 2202 2183
CONECT 2203 2184
CONECT 2204 2184
CONECT 2205 2184
CONECT 2206 2185
CONECT 2207 2185
CONECT 2208 2185
CONECT 2209 2186
CONECT 2210 2186
CONECT 2211 2186
CONECT 2212 2187
CONECT 2213 2187
CONECT 2214 2187
CONECT 2215 2188
CONECT 2216 2188
CONECT 2217 2188
CONECT 2218 2183 2219
CONECT 2219 2218
END

###################
# holo-crbpii.xyz #
###################

  2219  crbp2
     1  N+    53.288242   76.505407   36.997174     9     2     5     6     7
     2  C     51.870476   76.339659   37.468368     1     1     3     8     9
     3  C     51.699148   74.913284   37.953892     2     2     4    20
     4  O     52.464751   74.017442   37.615128    13     3
     5  H     53.652474   75.607622   36.663394    19     1
     6  H     53.879927   76.830388   37.766543    19     1
     7  H     53.270034   77.142073   36.213631    19     1
     8  H     51.625082   76.997795   38.315729    17     2
     9  C     50.875605   76.507605   36.305286     1     2    10    13    14
    10  C     49.640230   77.242366   36.869883     1     9    11    15    16
    11  S     49.695821   78.992272   36.360794    16    10    12
    12  C     50.803434   79.578257   37.664418     1    11    17    18    19
    13  H     50.548179   75.504117   35.955905    17     9
    14  H     51.332347   77.058136   35.463164    17     9
    15  H     49.559878   77.128710   37.969889    17    10
    16  H     48.703967   76.763703   36.508401    17    10
    17  H     50.306268   79.527585   38.659080    17    12
    18  H     51.199998   80.608068   37.506843    17    12
    19  H     51.773524   79.018590   37.690622    17    12
    20  N     50.652935   74.729145   38.773180     8     3    21    24
    21  C     50.379402   73.403157   39.316903     1    20    22    25    26
    22  C     51.615273   72.907433   40.034508     2    21    23    34
    23  O     51.901803   71.729299   40.047535    13    22
    24  H     50.075134   75.540126   38.992036    18    20
    25  H     49.550895   73.465305   40.048146    17    21
    26  C     50.074742   72.389850   38.204489     1    21    27    28    29
    27  O     49.271477   72.979576   37.216943    15    26    30
    28  C     49.251647   71.246292   38.858639     1    26    31    32    33
    29  H     51.031844   72.102129   37.722032    17    26
    30  H     49.540456   73.871385   37.130241    23    27
    31  H     48.311948   71.613676   39.301098    17    28
    32  H     49.828409   70.768998   39.681765    17    28
    33  H     48.976487   70.462261   38.117888    17    28
    34  N     52.336053   73.886117   40.630395     8    22    35    38
    35  C     53.536817   73.488566   41.338913     1    34    36    39    40
    36  C     54.021003   74.452104   42.387558     2    35    37    56
    37  O     54.885881   75.296638   42.150398    13    36
    38  H     52.011231   74.852530   40.557948    18    34
    39  H     53.355866   72.523380   41.880462    17    35
    40  C     54.675527   73.219646   40.313625     1    35    41    45    46
    41  C     55.422337   71.960872   40.784655     1    40    42    47    48
    42  C     56.877946   72.043700   40.249488     1    41    43    49    50
    43  C     56.891222   72.518481   38.780442     1    42    44    51    52
    44  N+    58.052815   71.868362   38.094304     9    43    53    54    55
    45  H     55.365725   74.074491   40.240015    17    40
    46  H     54.205847   72.997439   39.341391    17    40
    47  H     54.888363   71.090182   40.364486    17    41
    48  H     55.420136   71.909110   41.889068    17    41
    49  H     57.326774   71.044293   40.334757    17    42
    50  H     57.453166   72.771328   40.857943    17    42
    51  H     56.986225   73.614061   38.797730    17    43
    52  H     55.933198   72.166024   38.329480    17    43
    53  H     58.483597   72.504836   37.418018    19    44
    54  H     57.733494   71.050639   37.557930    19    44
    55  H     58.770453   71.618510   38.768037    19    44
    56  N     53.461195   74.329677   43.588322     8    36    57    60
    57  C     53.864207   75.199094   44.709431     1    56    58    61    62
    58  C     54.524565   74.295139   45.740686     2    57    59    68
    59  O     55.740357   74.126246   45.741133    13    58
    60  H     52.741946   73.622338   43.772698    18    56
    61  H     54.606968   75.930720   44.340602    17    57
    62  C     52.686864   75.921634   45.345423     1    57    63    66    67
    63  C     52.097791   76.836556   44.287861     3    62    64    65
    64  O-    50.872865   76.763771   44.120479    14    63
    65  O-    52.862972   77.593639   43.658997    14    63
    66  H     53.092193   76.535948   46.189944    17    62
    67  H     51.891252   75.236307   45.712926    17    62
    68  N     53.712261   73.714001   46.606820     8    58    69    72
    69  C     54.255593   72.786814   47.618568     1    68    70    73    74
    70  C     53.628976   71.426895   47.324113     2    69    71    85
    71  O     52.671308   71.402830   46.549661    13    70
    72  H     52.710857   73.843694   46.619063    18    68
    73  H     55.338994   72.646070   47.489292    17    69
    74  C     53.818978   73.302409   48.980011     1    69    75    79    80
    75  C     54.202867   74.803627   49.068130     1    74    76    81    82
    76  C     55.674453   74.954087   48.763492     2    75    77    78
    77  O     56.506759   74.186209   49.193893    13    76
    78  N     55.910229   76.018748   47.977831     8    76    83    84
    79  H     54.331516   72.786420   49.805274    17    74
    80  H     52.703697   73.223023   49.053134    17    74
    81  H     54.044559   75.126214   50.110359    17    75
    82  H     53.607274   75.339201   48.299312    17    75
    83  H     55.142307   76.602635   47.663928    18    78
    84  H     56.873675   76.206774   47.712445    18    78
    85  N     54.205543   70.411216   47.954396     8    70    86    89
    86  C     53.828345   69.020263   47.853887     1    85    87    90    91
    87  C     54.956663   68.093274   47.413059     2    86    88    99
    88  O     55.454628   68.166233   46.296102    13    87
    89  H     54.991147   70.673201   48.568504    18    85
    90  H     53.510692   68.660751   48.862478    17    86
    91  C     52.713745   68.769972   46.814734     1    86    92    95    96
    92  C     52.479005   67.302486   46.660647     2    91    93    94
    93  O     52.546160   66.517101   47.595128    13    92
    94  N     52.185589   66.931612   45.391501     8    92    97    98
    95  H     53.048069   69.128062   45.806595    17    91
    96  H     51.772571   69.291675   47.125004    17    91
    97  H     52.171885   67.720492   44.727035    18    94
    98  H     52.021955   65.919187   45.288276    18    94
    99  N     55.318728   67.221184   48.349168     8    87   100   103
   100  C     56.370113   66.267444   48.071672     1    99   101   104   105
   101  C     56.023678   64.871761   48.581036     2   100   102   106
   102  O     56.031785   64.679234   49.776071    13   101
   103  H     54.870578   67.202639   49.264603    18    99
   104  H     56.590054   66.183272   46.978256    17   100
   105  H     57.289888   66.615219   48.576537    17   100
   106  N     55.753701   64.045118   47.578253     8   101   107   110
   107  C     55.398256   62.633374   47.721801     1   106   108   111   112
   108  C     54.400404   62.296846   46.618587     2   107   109   120
   109  O     53.386947   62.958892   46.521124    13   108
   110  H     55.786014   64.406622   46.614841    18   106
   111  H     56.332272   62.047260   47.526197    17   107
   112  C     54.846403   62.288281   49.096196     1   107   113   114   115
   113  O     55.959990   62.087736   49.958008    15   112   116
   114  C     54.189260   60.892431   48.995275     1   112   117   118   119
   115  H     54.236943   63.119155   49.509347    17   112
   116  H     56.271466   62.932164   50.239947    23   113
   117  H     54.858828   60.244193   48.389771    17   114
   118  H     53.191624   60.968858   48.514582    17   114
   119  H     54.059366   60.464190   50.004672    17   114
   120  N     54.803061   61.268740   45.872145     8   108   121   124
   121  C     53.949974   60.812977   44.769668     1   120   122   125   126
   122  C     53.855483   59.318428   44.629186     2   121   123   144
   123  O     52.943918   58.837265   43.955871    13   122
   124  H     55.688208   60.853833   46.123340    18   120
   125  H     52.916110   61.163648   45.024463    17   121
   126  C     54.293044   61.517336   43.441882     1   121   127   136   137
   127  C     53.116046   62.180648   42.818020     6   126   128   129
   128  C     51.817698   62.146810   43.138047     6   127   130   138
   129  C     53.100264   63.003035   41.736386     4   127   131   132
   130  N     51.044296   62.878723   42.325854    11   128   131   139
   131  C     51.866095   63.428550   41.426401     4   129   130   133
   132  C     54.126352   63.427393   40.964373     4   129   134   140
   133  C     51.655143   64.254976   40.375546     4   131   135   141
   134  C     53.927093   64.257937   39.909098     4   132   135   142
   135  C     52.682142   64.678339   39.611150     4   133   134   143
   136  H     54.788431   60.813247   42.726319    17   126
   137  H     55.036054   62.321230   43.684175    17   126
   138  H     51.435333   61.578430   43.983671    17   128
   139  H     50.003292   62.980372   42.406789    21   130
   140  H     55.144571   63.084845   41.208115    17   132
   141  H     50.611475   64.573394   40.169792    17   133
   142  H     54.760781   64.607925   39.280131    17   134
   143  H     52.534863   65.350145   38.754667    17   135
   144  N     54.769669   58.593385   45.256452     8   122   145   148
   145  C     54.720972   57.122145   45.170034     1   144   146   149   150
   146  C     55.844761   56.478385   45.963195     2   145   147   159
   147  O     56.984425   56.905230   45.890324    13   146
   148  H     55.517730   58.990611   45.806257    18   144
   149  H     53.757954   56.774200   45.567505    17   145
   150  C     54.907204   56.638710   43.727733     1   145   151   155   156
   151  C     54.315594   55.201839   43.659666     1   150   152   157   158
   152  C     54.184885   54.833543   42.214364     3   151   153   154
   153  O-    53.038880   54.753722   41.716703    14   152
   154  O-    55.239444   54.614842   41.571627    14   152
   155  H     55.978361   56.583964   43.475366    17   150
   156  H     54.340931   57.245272   42.994214    17   150
   157  H     53.318044   55.260024   44.151036    17   151
   158  H     55.009598   54.487086   44.136052    17   151
   159  N     55.454720   55.444424   46.709421     8   146   160   163
   160  C     56.344396   54.639796   47.546698     1   159   161   164   165
   161  C     57.158019   53.743205   46.617249     2   160   162   176
   162  O     57.344675   54.162577   45.473045    13   161
   163  H     54.446859   55.234555   46.651624    18   159
   164  H     57.066336   55.242954   48.110946    17   160
   165  C     55.425067   53.772187   48.426860     1   160   166   169   170
   166  C     54.724843   52.664549   47.622184     1   165   167   171   172
   167  S     52.971684   53.083279   47.302317    16   166   168
   168  C     52.605330   51.828833   46.063333     1   167   173   174   175
   169  H     54.636406   54.445461   48.844451    17   165
   170  H     56.001788   53.315518   49.260839    17   165
   171  H     54.839402   51.723375   48.208457    17   166
   172  H     55.219666   52.455288   46.658625    17   166
   173  H     51.671100   52.087222   45.501616    17   168
   174  H     52.528474   50.797201   46.485899    17   168
   175  H     53.408324   51.728306   45.307363    17   168
   176  N     57.564094   52.601265   47.154878     8   161   177   180
   177  C     58.328451   51.558989   46.493114     1   176   178   181   182
   178  C     59.716567   51.502867   47.123696     2   177   179   191
   179  O     60.759682   51.595939   46.517236    13   178
   180  H     57.309036   52.443718   48.140376    18   176
   181  H     57.849670   50.571417   46.720108    17   177
   182  C     58.430672   51.731224   44.983392     1   177   183   187   188
   183  C     58.992311   50.434940   44.352098     1   182   184   189   190
   184  C     57.831064   49.511602   44.076977     3   183   185   186
   185  O-    57.434612   49.472869   42.900927    14   184
   186  O-    57.327761   48.851398   45.008390    14   184
   187  H     59.109672   52.592217   44.784209    17   182
   188  H     57.430832   51.939241   44.530329    17   182
   189  H     59.645779   49.967543   45.120481    17   183
   190  H     59.450023   50.650459   43.372158    17   183
   191  N     59.620805   51.334117   48.457332     8   178   192   195
   192  C     60.812702   51.259737   49.271793     1   191   193   196   197
   193  C     60.443105   50.874468   50.696500     2   192   194   202
   194  O     59.873325   51.633128   51.479898    13   193
   195  H     58.710084   51.255376   48.907357    18   191
   196  H     61.543363   50.523448   48.910003    17   192
   197  C     61.478892   52.656679   49.421894     1   192   198   199   200
   198  O     60.813399   53.573062   48.597420    15   197   201
   199  H     62.527543   52.623427   49.080485    17   197
   200  H     61.350178   53.048581   50.457869    17   197
   201  H     61.458429   54.187442   48.277050    23   198
   202  N     60.816149   49.626424   50.948286     8   193   203   206
   203  C     60.610913   48.953568   52.237695     1   202   204   207   208
   204  C     59.174782   48.737025   52.596985     2   203   205   216
   205  O     58.288205   49.205829   51.921985    13   204
   206  H     61.269947   49.086758   50.216526    18   202
   207  H     61.062524   47.934713   52.160000    17   203
   208  C     61.217855   49.780781   53.393851     1   203   209   212   213
   209  C     62.710528   49.679088   53.189870     2   208   210   211
   210  O     63.246423   49.405954   52.119533    13   209
   211  N     63.411048   49.916416   54.325420     8   209   214   215
   212  H     60.929536   49.301519   54.363305    17   208
   213  H     60.933909   50.838995   53.332383    17   208
   214  H     62.817962   50.127338   55.139887    18   211
   215  H     64.430916   49.839570   54.191504    18   211
   216  N     59.090563   47.986976   53.708392     8   204   217   220
   217  C     57.732416   47.679346   54.190966     1   216   218   221   222
   218  C     57.767723   46.764121   55.369195     2   217   219   231
   219  O     57.007737   45.803089   55.498787    13   218
   220  H     59.934226   47.663096   54.185047    18   216
   221  H     57.293051   48.672404   54.454135    17   217
   222  C     56.993078   47.014456   53.014147     1   217   223   227   228
   223  C     55.709256   47.846029   52.774211     1   222   224   229   230
   224  C     54.751042   47.512629   53.912772     3   223   225   226
   225  O-    54.825513   48.215745   54.941809    14   224
   226  O-    53.969069   46.565779   53.721472    14   224
   227  H     56.676147   45.985538   53.239972    17   222
   228  H     57.618416   47.000708   52.094867    17   222
   229  H     55.210560   47.527697   51.845836    17   223
   230  H     55.940461   48.915572   52.890298    17   223
   231  N     58.685940   47.031543   56.309239     8   218   232   235
   232  C     58.832031   46.212551   57.508716     1   231   233   236   237
   233  C     58.073958   46.782513   58.682621     2   232   234   245
   234  O     58.017544   47.972187   58.885537    13   233
   235  H     59.300217   47.836530   56.159608    18   231
   236  H     58.451852   45.200388   57.297323    17   232
   237  C     60.335206   46.113638   57.893572     1   232   238   241   242
   238  C     61.018502   45.175832   56.944387     2   237   239   240
   239  O     61.739966   44.246471   57.301263    13   238
   240  N     60.792742   45.413264   55.630502     8   238   243   244
   241  H     60.360872   45.623452   58.899714    17   237
   242  H     60.817729   47.100856   57.831571    17   237
   243  H     61.276568   44.750201   55.005785    18   240
   244  H     60.173113   46.220218   55.460423    18   240
   245  N     57.499081   45.837691   59.437248     8   233   246   249
   246  C     56.728574   46.222791   60.614816     1   245   247   250   251
   247  C     57.398230   45.709444   61.863534     2   246   248   265
   248  O     58.541286   45.319104   61.928862    13   247
   249  H     57.636724   44.882027   59.140186    18   245
   250  H     56.647329   47.317947   60.679248    17   246
   251  C     55.330974   45.559831   60.481874     1   246   252   258   259
   252  C     55.044850   45.275993   59.051947     4   251   253   254
   253  C     54.326760   46.188837   58.307840     4   252   255   260
   254  C     55.482662   44.106221   58.436924     4   252   256   261
   255  C     54.070610   45.901417   56.964859     4   253   257   262
   256  C     55.219989   43.836289   57.114239     4   254   257   263
   257  C     54.500785   44.744655   56.347884     4   255   256   264
   258  H     54.602687   46.279771   60.914625    17   251
   259  H     55.354116   44.621472   61.079130    17   251
   260  H     53.970306   47.115129   58.784062    17   253
   261  H     56.046670   43.400605   59.044024    17   254
   262  H     53.498405   46.634456   56.398611    17   255
   263  H     55.576671   42.905513   56.646906    17   256
   264  H     54.307304   44.504542   55.288277    17   257
   265  N     56.575944   45.723265   62.917328     8   247   266   269
   266  C     57.029384   45.260568   64.208098     1   265   267   270   271
   267  C     57.213559   43.758439   64.321308     2   266   268   280
   268  O     56.216987   43.051401   64.402018    13   267
   269  H     55.613810   46.064714   62.805331    18   265
   270  H     58.013912   45.681598   64.507819    17   266
   271  C     55.909219   45.577951   65.234392     1   266   272   276   277
   272  C     55.872799   47.056588   65.615751     1   271   273   278   279
   273  C     54.782983   47.173393   66.674036     3   272   274   275
   274  O-    54.559470   48.312522   67.161363    14   273
   275  O-    54.164417   46.149467   67.005617    14   273
   276  H     56.126208   44.976013   66.142660    17   271
   277  H     54.919952   45.262724   64.820356    17   271
   278  H     55.609477   47.686545   64.750849    17   272
   279  H     56.829382   47.277969   66.143131    17   272
   280  N     58.492154   43.360657   64.324273     8   267   281   284
   281  C     58.716449   41.908910   64.441673     1   280   282   285   286
   282  C     59.294358   41.395491   63.164745     2   281   283   287
   283  O     60.198060   40.558184   63.202901    13   282
   284  H     59.256251   44.039428   64.247097    18   280
   285  H     59.469251   41.717942   65.239533    17   281
   286  H     57.778553   41.374144   64.697644    17   281
   287  N     58.809852   41.896394   62.027908     8   282   288   291
   288  C     59.398090   41.433059   60.756072     1   287   289   292   293
   289  C     60.591476   42.344515   60.492859     2   288   290   308
   290  O     60.727328   43.082438   59.548174    13   289
   291  H     58.061937   42.594341   62.026783    18   287
   292  H     59.776177   40.405412   60.839364    17   288
   293  C     58.344007   41.598933   59.668530     1   288   294   301   302
   294  C     58.927073   41.624044   58.282095     4   293   295   296
   295  C     59.971380   40.783998   57.950478     4   294   297   303
   296  C     58.389917   42.515036   57.376332     4   294   298   304
   297  C     60.496247   40.838844   56.670958     4   295   299   305
   298  C     58.893010   42.589479   56.090619     4   296   299   306
   299  C     59.946620   41.746012   55.751351     4   297   298   300
   300  O     60.460042   41.805302   54.491285    15   299   307
   301  H     57.808756   42.569510   59.810309    17   293
   302  H     57.589114   40.773609   59.726858    17   293
   303  H     60.350157   40.107329   58.723803    17   295
   304  H     57.563903   43.166019   57.680319    17   296
   305  H     61.328034   40.174854   56.410440    17   297
   306  H     58.447698   43.306305   55.402481    17   298
   307  H     60.231770   42.667837   54.095869    23   300
   308  N     61.471447   42.230633   61.475132     8   289   309   312
   309  C     62.687156   43.063061   61.434879     1   308   310   313   314
   310  C     63.523097   42.837191   62.655925     2   309   311   325
   311  O     63.058322   43.083023   63.765370    13   310
   312  H     61.360708   41.612799   62.263269    18   308
   313  H     63.311074   42.831702   60.563713    17   309
   314  C     62.157872   44.525145   61.442209     1   309   315   318   319
   315  C     62.849598   45.384899   60.390524     1   314   316   320   321
   316  S     64.667384   45.348163   60.568776    16   315   317
   317  C     65.011271   46.227212   59.003568     1   316   322   323   324
   318  H     62.312294   44.892277   62.481391    17   314
   319  H     61.048651   44.538210   61.275150    17   314
   320  H     62.447300   46.430033   60.409992    17   315
   321  H     62.540208   45.013987   59.380906    17   315
   322  H     65.435423   45.540045   58.231561    17   317
   323  H     65.672020   47.102727   59.173125    17   317
   324  H     64.124904   46.733489   58.586408    17   317
   325  N     64.723372   42.372136   62.344356     8   310   326   329
   326  C     65.779456   42.042611   63.299062     1   325   327   330   331
   327  C     65.812171   40.564573   63.672897     2   326   328   347
   328  O     66.687028   40.152638   64.402108    13   327
   329  H     64.922389   42.230606   61.349996    18   325
   330  H     66.742266   42.189135   62.743369    17   326
   331  C     65.716420   42.903774   64.567411     1   326   332   336   337
   332  C     67.163829   43.117911   65.056818     1   331   333   338   339
   333  C     67.095650   44.071362   66.256967     1   332   334   340   341
   334  C     66.682706   45.465621   65.764463     1   333   335   342   343
   335  N+    67.546067   46.507463   66.436278     9   334   344   345   346
   336  H     65.162253   42.335829   65.350893    17   331
   337  H     65.206179   43.868219   64.382589    17   331
   338  H     67.734444   43.530485   64.210963    17   332
   339  H     67.547631   42.116298   65.370227    17   332
   340  H     68.116058   44.108195   66.719441    17   333
   341  H     66.348646   43.681412   66.971757    17   333
   342  H     65.622356   45.617691   66.049487    17   334
   343  H     66.806554   45.543535   64.667463    17   334
   344  H     68.372467   46.023306   66.781483    19   335
   345  H     67.020139   46.951276   67.179756    19   335
   346  H     67.798045   47.221710   65.757127    19   335
   347  N     64.806777   39.926788   63.089060     8   327   348   351
   348  C     64.673948   38.487920   63.327322     1   347   349   352   353
   349  C     64.765625   38.176359   64.816422     2   348   350   357
   350  O     65.293673   37.168189   65.238409    13   349
   351  H     64.144293   40.430106   62.490117    18   347
   352  H     63.641079   38.199644   63.013019    17   348
   353  C     65.704776   37.684764   62.544122     1   348   354   355   356
   354  H     66.616133   37.595200   63.164484    17   353
   355  H     65.965602   38.239348   61.605934    17   353
   356  H     65.295807   36.676329   62.311076    17   353
   357  N     64.180540   39.151802   65.505688     8   349   358   361
   358  C     64.061453   39.170683   66.975129     1   357   359   362   363
   359  C     62.574207   39.016742   67.284410     2   358   360   376
   360  O     62.063382   39.427335   68.317166    13   359
   361  H     63.774849   39.942296   64.985328    18   357
   362  H     64.608548   38.321894   67.405896    17   358
   363  C     64.460543   40.542433   67.502519     1   358   364   367   368
   364  C     64.795354   40.486541   69.008291     1   363   365   366   369
   365  C     65.965437   39.510024   69.262716     1   364   370   371   372
   366  C     65.125530   41.907796   69.534972     1   364   373   374   375
   367  H     63.593089   41.233875   67.339382    17   363
   368  H     65.319817   40.962006   66.920698    17   363
   369  H     63.932738   40.120151   69.591124    17   364
   370  H     65.587353   38.642789   69.842107    17   365
   371  H     66.762548   39.988863   69.870614    17   365
   372  H     66.372166   39.181981   68.288227    17   365
   373  H     66.058708   42.279149   69.063280    17   366
   374  H     65.270100   41.896362   70.633221    17   366
   375  H     64.294290   42.586204   69.264375    17   366
   376  N     61.943391   38.390598   66.282473     8   359   377   380
   377  C     60.529208   38.093113   66.227608     1   376   378   381   382
   378  C     60.190388   37.016713   67.212337     2   377   379   388
   379  O     59.825990   35.888806   66.963310    13   378
   380  H     62.533366   38.109934   65.503328    18   376
   381  H     59.904427   38.993582   66.444865    17   377
   382  C     60.212015   37.613500   64.782340     1   377   383   386   387
   383  C     61.009309   36.361056   64.497369     3   382   384   385
   384  O-    62.212156   36.312876   64.829910    14   383
   385  O-    60.401926   35.413677   63.931760    14   383
   386  H     60.618491   38.372335   64.066008    17   382
   387  H     59.139354   37.449351   64.628973    17   382
   388  N     60.352313   37.476163   68.468987     8   378   389   392
   389  C     60.089678   36.596078   69.606352     1   388   390   393   394
   390  C     59.102926   37.213415   70.553768     2   389   391   407
   391  O     58.862035   36.846560   71.693673    13   390
   392  H     60.654731   38.431466   68.607970    18   388
   393  H     59.699043   35.641436   69.215240    17   389
   394  C     61.459690   36.332833   70.290251     1   389   395   396   398
   395  C     62.380358   35.529315   69.331335     1   394   397   399   400
   396  C     61.295871   35.486620   71.555470     1   394   401   402   403
   397  C     61.808551   34.107887   69.259917     1   395   404   405   406
   398  H     61.961637   37.293340   70.470190    17   394
   399  H     63.380370   35.522121   69.808461    17   395
   400  H     62.426701   36.019865   68.342307    17   395
   401  H     62.117566   34.752555   71.641464    17   396
   402  H     60.325640   34.933191   71.476190    17   396
   403  H     61.268278   36.175515   72.423086    17   396
   404  H     62.007931   33.633093   68.274001    17   397
   405  H     60.718162   34.067621   69.462912    17   397
   406  H     62.304446   33.493496   70.051013    17   397
   407  N     58.461077   38.273893   70.012991     8   390   408   411
   408  C     57.455036   39.001083   70.809118     1   407   409   412   413
   409  C     56.094009   38.373591   70.657143     2   408   410   419
   410  O     55.594974   37.788134   71.618871    13   409
   411  H     58.677505   38.559017   69.068145    18   407
   412  H     57.798006   38.898575   71.871774    17   408
   413  C     57.433543   40.471998   70.406945     1   408   414   417   418
   414  C     56.760884   41.234275   71.526359     3   413   415   416
   415  O-    55.548830   41.488658   71.470119    14   414
   416  O-    57.526817   41.552724   72.460680    14   414
   417  H     56.796238   40.569897   69.490644    17   413
   418  H     58.470089   40.848189   70.283614    17   413
   419  N     55.518610   38.506892   69.464009     8   409   420   423
   420  C     54.192016   37.923531   69.231687     1   419   421   424   425
   421  C     54.032252   37.287545   67.878125     2   420   422   439
   422  O     52.934322   36.953051   67.476675    13   421
   423  H     55.975087   39.007373   68.703620    18   419
   424  H     54.065202   37.122559   70.000132    17   420
   425  C     53.171646   39.061955   69.422884     1   420   426   432   433
   426  C     51.766150   38.578987   69.397537     4   425   427   428
   427  C     51.262547   37.684530   70.319739     4   426   429   434
   428  C     50.924734   39.057194   68.390680     4   426   430   435
   429  C     49.931137   37.260775   70.247994     4   427   431   436
   430  C     49.599582   38.651717   68.302776     4   428   431   437
   431  C     49.105692   37.751212   69.231742     4   429   430   438
   432  H     53.353947   39.792954   68.596232    17   425
   433  H     53.368682   39.556594   70.407690    17   425
   434  H     51.945425   37.325160   71.104774    17   427
   435  H     51.321764   39.776938   67.646518    17   428
   436  H     49.520192   36.538073   70.983494    17   429
   437  H     48.959518   39.042452   67.508703    17   430
   438  H     48.058001   37.401594   69.193653    17   431
   439  N     55.181313   37.130681   67.184985     8   421   440   443
   440  C     55.217198   36.530064   65.849204     1   439   441   444   445
   441  C     54.160637   37.202206   64.999098     2   440   442   449
   442  O     53.147849   36.646641   64.632741    13   441
   443  H     56.057421   37.448154   67.614625    18   439
   444  H     56.178352   36.751857   65.324645    17   440
   445  C     54.934838   35.036686   65.970664     1   440   446   447   448
   446  H     53.849212   34.830017   65.854567    17   445
   447  H     55.252821   34.710492   66.982806    17   445
   448  H     55.516107   34.486685   65.185786    17   445
   449  N     54.546002   38.468657   64.732386     8   441   450   453
   450  C     53.704737   39.352771   63.912559     1   449   451   454   455
   451  C     53.127680   38.669265   62.685701     2   450   452   463
   452  O     52.059386   39.065340   62.247216    13   451
   453  H     55.424644   38.826394   65.092701    18   449
   454  H     52.838769   39.639946   64.556135    17   450
   455  C     54.431729   40.654610   63.550866     1   450   456   457   458
   456  O     53.521609   41.473225   62.834161    15   455   459
   457  C     55.585077   40.391338   62.571430     1   455   460   461   462
   458  H     54.700892   41.188258   64.488017    17   455
   459  H     52.999313   41.933845   63.463608    23   456
   460  H     56.273455   39.652773   63.037078    17   457
   461  H     56.123981   41.339150   62.391179    17   457
   462  H     55.142802   39.994826   61.635314    17   457
   463  N     53.911839   37.693224   62.252597     8   451   464   467
   464  C     53.655548   36.831030   61.110138     1   463   465   468   469
   465  C     54.461730   37.254850   59.909433     2   464   466   487
   466  O     54.085684   36.872617   58.800787    13   465
   467  H     54.784454   37.529611   62.772614    18   463
   468  H     53.976661   35.785119   61.357032    17   464
   469  C     52.154718   36.761861   60.750317     1   464   470   476   477
   470  C     51.817613   35.527022   59.906572     1   469   471   478   479
   471  C     50.298046   35.274933   59.980281     1   470   472   480   481
   472  N     49.674145   35.800362   58.766719    10   471   473   482
   473  C+    48.466330   35.340398   58.337340     5   472   474   475
   474  N     47.943578   35.861866   57.210678    10   473   483   484
   475  N     47.788465   34.385616   59.003575    10   473   485   486
   476  H     51.891993   37.699180   60.201889    17   469
   477  H     51.545273   36.773504   61.688282    17   469
   478  H     52.398723   34.664944   60.291847    17   470
   479  H     52.055017   35.699503   58.830461    17   470
   480  H     49.825304   35.789565   60.833944    17   471
   481  H     50.109189   34.187980   60.025650    17   471
   482  H     50.189483   36.516445   58.259272    20   472
   483  H     48.429335   36.593792   56.673514    20   474
   484  H     47.034547   35.502626   56.887205    20   474
   485  H     46.892574   34.039781   58.685737    20   475
   486  H     48.212457   34.014554   59.854331    20   475
   487  N     55.522730   38.014123   60.134496     8   465   488   491
   488  C     56.343004   38.441777   58.988823     1   487   489   492   493
   489  C     55.552858   39.304992   58.058788     2   488   490   509
   490  O     55.894570   39.461060   56.908034    13   489
   491  H     55.811074   38.324423   61.050449    18   487
   492  H     57.253566   38.939910   59.350203    17   488
   493  C     56.787245   37.136182   58.269300     1   488   494   498   499
   494  C     57.097726   36.015513   59.271653     1   493   495   500   501
   495  C     58.044195   36.602328   60.337721     1   494   496   502   503
   496  C     59.214858   37.313031   59.613462     1   495   497   504   505
   497  N+    60.461050   36.995222   60.388653     9   496   506   507   508
   498  H     57.703760   37.396708   57.705701    17   493
   499  H     55.993438   36.815958   57.565837    17   493
   500  H     57.640719   35.166822   58.791306    17   494
   501  H     56.177957   35.590447   59.728653    17   494
   502  H     58.434096   35.774093   60.945023    17   495
   503  H     57.513132   37.305758   61.019952    17   495
   504  H     59.091043   38.404614   59.631147    17   496
   505  H     59.319803   36.940406   58.573067    17   496
   506  H     60.630305   35.986005   60.442473    19   497
   507  H     60.415282   37.382686   61.323459    19   497
   508  H     61.237925   37.413237   59.866878    19   497
   509  N     54.481372   39.838780   58.689471     8   489   510   513
   510  C     53.578915   40.725155   57.931732     1   509   511   514   515
   511  C     52.710024   41.549045   58.863736     2   510   512   528
   512  O     52.244438   41.111842   59.890469    13   511
   513  H     54.308301   39.630209   59.670133    18   509
   514  H     54.229159   41.382130   57.333689    17   510
   515  C     52.630258   39.930777   57.029046     1   510   516   517   519
   516  C     53.220520   39.692220   55.626127     1   515   518   520   521
   517  C     51.298986   40.685430   56.832741     1   515   522   523   524
   518  C     53.410709   38.185011   55.444070     1   516   525   526   527
   519  H     52.430761   38.942244   57.512099    17   515
   520  H     54.182779   40.254026   55.577747    17   516
   521  H     52.521861   40.077486   54.850989    17   516
   522  H     50.751332   40.235656   55.976483    17   517
   523  H     51.525333   41.746036   56.602461    17   517
   524  H     50.656311   40.646156   57.735210    17   517
   525  H     52.459473   37.652843   55.239437    17   518
   526  H     53.864111   37.784553   56.381937    17   518
   527  H     54.095032   38.015141   54.583206    17   518
   528  N     52.493342   42.814163   58.456974     8   511   529   532
   529  C     51.680295   43.728113   59.243530     1   528   530   533   534
   530  C     51.151948   44.851700   58.369894     2   529   531   538
   531  O     51.236999   44.898165   57.159294    13   530
   532  H     52.910555   43.141435   57.575413    18   528
   533  H     50.805121   43.218863   59.681820    17   529
   534  C     52.540176   44.393727   60.337930     1   529   535   536   537
   535  H     52.678287   45.485088   60.134461    17   534
   536  H     53.534726   43.907172   60.347251    17   534
   537  H     52.078310   44.276638   61.335436    17   534
   538  N     50.568313   45.810149   59.108699     8   530   539   542
   539  C     49.981434   47.004023   58.524910     1   538   540   543   544
   540  C     50.922405   47.764562   57.596205     2   539   541   554
   541  O     51.755993   48.547062   57.996986    13   540
   542  H     50.539509   45.696116   60.121755    18   538
   543  H     49.092785   46.718072   57.932299    17   539
   544  C     49.554509   48.033858   59.596044     1   539   545   546   547
   545  C     48.895367   49.235675   58.912917     1   544   548   549   550
   546  C     48.561199   47.406115   60.589801     1   544   551   552   553
   547  H     50.485707   48.331890   60.135880    17   544
   548  H     47.804836   49.266602   59.160009    17   545
   549  H     49.011691   49.224998   57.811887    17   545
   550  H     49.347807   50.183673   59.296514    17   545
   551  H     49.114293   46.971855   61.443544    17   546
   552  H     47.999191   46.623538   60.041128    17   546
   553  H     47.882131   48.218137   60.930457    17   546
   554  N     50.690754   47.441398   56.327077     8   540   555   558
   555  C     51.446748   48.025189   55.236372     1   554   556   559   560
   556  C     51.230699   49.526922   55.139439     2   555   557   578
   557  O     50.119036   50.028638   55.229102    13   556
   558  H     49.960771   46.765786   56.154921    18   554
   559  H     52.536100   47.878876   55.351306    17   555
   560  C     51.008471   47.459164   53.863277     1   555   561   567   568
   561  C     50.557521   45.996074   53.969020     1   560   562   569   570
   562  C     50.450060   45.439126   52.537347     1   561   563   571   572
   563  N     50.825332   44.037138   52.564031    10   562   564   573
   564  C+    51.795244   43.507044   51.810133     5   563   565   566
   565  N     52.034875   42.179092   51.937987    10   564   574   575
   566  N     52.541502   44.207969   50.938061    10   564   576   577
   567  H     51.886209   47.519412   53.202172    17   560
   568  H     50.161052   48.078429   53.475371    17   560
   569  H     49.552669   45.949262   54.436975    17   561
   570  H     51.299703   45.392126   54.533572    17   561
   571  H     51.060305   46.031171   51.840903    17   562
   572  H     49.377315   45.552855   52.232452    17   562
   573  H     50.317723   43.411972   53.196802    20   563
   574  H     51.480611   41.634481   52.587136    20   565
   575  H     52.767606   41.731253   51.376133    20   565
   576  H     53.260506   43.700683   50.404856    20   566
   577  H     52.426711   45.210904   50.786517    20   566
   578  N     52.392226   50.148709   54.953757     8   556   579   582
   579  C     52.424940   51.593672   54.829346     1   578   580   583   584
   580  C     52.093300   51.963057   53.389105     2   579   581   597
   581  O     50.938073   52.281585   53.137895    13   580
   582  H     53.274471   49.637778   54.898737    18   578
   583  H     51.610469   52.016297   55.472687    17   579
   584  C     53.796823   52.133903   55.220147     1   579   585   588   589
   585  C     53.650346   52.731367   56.648537     1   584   586   587   590
   586  C     53.586184   51.589131   57.691173     1   585   591   592   593
   587  C     54.844494   53.647103   56.885792     1   585   594   595   596
   588  H     54.058310   52.985253   54.547810    17   584
   589  H     54.581107   51.360756   55.195977    17   584
   590  H     52.674831   53.263197   56.643407    17   585
   591  H     52.886019   51.839379   58.503826    17   586
   592  H     54.616224   51.504068   58.112226    17   586
   593  H     53.285307   50.660351   57.175417    17   586
   594  H     54.533372   54.697418   57.100269    17   587
   595  H     55.511347   53.625147   56.000325    17   587
   596  H     55.392929   53.251023   57.779764    17   587
   597  N     53.139532   51.882153   52.582480     8   580   598   601
   598  C     53.116723   52.187306   51.142505     1   597   599   602   603
   599  C     51.927209   52.974308   50.690046     2   598   600   611
   600  O     51.683277   54.053344   51.231526    13   599
   601  H     54.049733   51.586089   52.959707    18   597
   602  H     54.008819   52.837722   50.945099    17   598
   603  C     53.282976   50.850829   50.404266     1   598   604   605   606
   604  O     52.089233   50.091543   50.537974    15   603   607
   605  C     54.400321   49.984308   51.017669     1   603   608   609   610
   606  H     53.436527   51.082152   49.336897    17   603
   607  H     51.794658   50.219162   51.426966    23   604
   608  H     54.155696   49.801148   52.084410    17   605
   609  H     55.394494   50.472530   50.968625    17   605
   610  H     54.409459   49.017992   50.471642    17   605
   611  N     51.186904   52.460372   49.715940     8   599   612   615
   612  C     50.000143   53.180028   49.215225     1   611   613   616   617
   613  C     50.322638   54.476706   48.518989     2   612   614   628
   614  O     50.222520   54.530265   47.302090    13   613
   615  H     51.392205   51.572680   49.274947    18   611
   616  H     49.527378   52.498308   48.461340    17   612
   617  C     49.062999   53.402933   50.397537     1   612   618   622   623
   618  C     47.861529   52.436224   50.194854     1   617   619   624   625
   619  C     47.401080   51.957902   51.534572     2   618   620   621
   620  O     46.764033   52.641479   52.301298    13   619
   621  N     47.795032   50.696565   51.746177     8   619   626   627
   622  H     48.697271   54.460182   50.337254    17   617
   623  H     49.565940   53.209972   51.354017    17   617
   624  H     48.264845   51.589119   49.580886    17   618
   625  H     47.092496   53.019012   49.669865    17   618
   626  H     48.338088   50.227733   51.014790    18   621
   627  H     47.565809   50.217751   52.610090    18   621
   628  N     50.688728   55.418778   49.378798     8   613   629   632
   629  C     51.085014   56.770849   49.058252     1   628   630   633   634
   630  C     50.458708   57.844857   49.938205     2   629   631   642
   631  O     49.432211   58.389801   49.608059    13   630
   632  H     50.696972   55.140964   50.369766    18   628
   633  H     52.191054   56.844668   49.233684    17   629
   634  C     50.811508   57.156212   47.594955     1   629   635   636   637
   635  O     51.719557   56.493205   46.752859    15   634   638
   636  C     51.075820   58.671142   47.370369     1   634   639   640   641
   637  H     49.797847   56.820827   47.305658    17   634
   638  H     52.546921   56.401234   47.168455    23   635
   639  H     50.128557   59.218002   47.525957    17   636
   640  H     51.443227   58.815255   46.336607    17   636
   641  H     51.817642   59.013120   48.110472    17   636
   642  N     51.197337   58.070349   51.044819     8   630   643   646
   643  C     50.741912   59.109526   51.988620     1   642   644   647   648
   644  C     51.073791   60.444161   51.360783     2   643   645   664
   645  O     51.797904   60.448742   50.362918    13   644
   646  H     52.041000   57.524193   51.177090    18   642
   647  H     49.663577   59.038983   52.182921    17   643
   648  C     51.595078   58.996616   53.254823     1   643   649   653   654
   649  C     53.095079   58.790762   52.911377     1   648   650   655   656
   650  C     53.970884   59.293003   54.066638     1   649   651   657   658
   651  C     54.350467   60.782767   53.842592     1   650   652   659   660
   652  N+    55.051483   60.947695   52.541638     9   651   661   662   663
   653  H     51.242738   58.138925   53.858599    17   648
   654  H     51.545642   59.934200   53.856877    17   648
   655  H     53.300970   59.349787   51.973959    17   649
   656  H     53.301183   57.716202   52.764736    17   649
   657  H     54.928543   58.740130   54.129169    17   650
   658  H     53.417114   59.230271   55.023679    17   650
   659  H     55.003406   61.090556   54.689274    17   651
   660  H     53.420148   61.382636   53.792672    17   651
   661  H     55.765020   61.688366   52.600401    19   652
   662  H     54.363942   61.154612   51.824096    19   652
   663  H     55.520502   60.068215   52.291679    19   652
   664  N     50.553373   61.520053   51.939232     8   644   665   668
   665  C     50.876631   62.817791   51.318309     1   664   666   669   670
   666  C     50.560855   64.010920   52.177826     2   665   667   683
   667  O     50.034147   63.952189   53.272417    13   666
   668  H     49.960402   61.446172   52.779041    18   664
   669  H     51.983111   62.843764   51.139403    17   665
   670  C     50.176658   63.016023   49.978230     1   665   671   672   674
   671  C     49.293753   61.830961   49.567201     1   670   673   675   676
   672  C     51.229869   63.187832   48.846257     1   670   677   678   679
   673  C     48.256351   62.306808   48.512716     1   671   680   681   682
   674  H     49.545020   63.941672   49.954147    17   670
   675  H     48.807424   61.453048   50.479054    17   671
   676  H     49.970543   61.062972   49.133182    17   671
   677  H     51.123235   62.359060   48.110003    17   672
   678  H     52.258053   63.141528   49.240218    17   672
   679  H     51.068720   64.126367   48.275014    17   672
   680  H     48.151922   63.398112   48.593992    17   673
   681  H     47.287253   61.821928   48.690773    17   673
   682  H     48.626285   62.062118   47.484885    17   673
   683  N     50.963597   65.125262   51.521469     8   666   684   687
   684  C     50.826835   66.470940   52.054213     1   683   685   688   689
   685  C     50.766992   67.449023   50.915020     2   684   686   702
   686  O     50.847966   67.061386   49.762467    13   685
   687  H     51.398136   65.027591   50.593027    18   683
   688  H     49.977801   66.588477   52.740497    17   684
   689  C     52.162060   66.768423   52.796375     1   684   690   691   693
   690  C     53.301130   66.927012   51.748984     1   689   692   694   695
   691  C     52.545772   65.594544   53.689002     1   689   696   697   698
   692  C     53.443954   68.441194   51.493134     1   690   699   700   701
   693  H     51.999489   67.711713   53.334894    17   689
   694  H     53.049350   66.386707   50.822856    17   690
   695  H     54.243376   66.584630   52.198365    17   690
   696  H     53.448695   65.890893   54.271958    17   691
   697  H     52.777850   64.709292   53.048590    17   691
   698  H     51.690492   65.360633   54.348997    17   691
   699  H     54.512360   68.635726   51.274414    17   692
   700  H     53.095549   69.038243   52.360893    17   692
   701  H     52.822873   68.757724   50.627987    17   692
   702  N     50.625020   68.743046   51.285014     8   685   703   706
   703  C     50.575564   69.731993   50.234257     1   702   704   707   708
   704  C     51.549513   70.866291   50.472430     2   703   705   718
   705  O     52.457064   71.044333   49.698366    13   704
   706  H     50.564891   68.982938   52.278656    18   702
   707  H     50.805208   69.295887   49.227313    17   703
   708  C     49.199687   70.425539   50.121824     1   703   709   710   711
   709  C     48.993938   70.905570   48.656840     1   708   712   713   714
   710  C     48.039405   69.515083   50.505304     1   708   715   716   717
   711  H     49.265380   71.346134   50.740366    17   708
   712  H     47.998484   70.613892   48.289373    17   709
   713  H     49.811715   70.472491   48.046536    17   709
   714  H     49.105268   72.007214   48.657893    17   709
   715  H     48.335987   68.715843   51.223498    17   710
   716  H     47.691623   69.007339   49.569035    17   710
   717  H     47.179782   70.078517   50.931675    17   710
   718  N     51.331491   71.614398   51.543351     8   704   719   722
   719  C     52.151520   72.764166   51.876826     1   718   720   723   724
   720  C     53.587092   72.465799   52.196682     2   719   721   735
   721  O     54.080802   71.359133   52.103875    13   720
   722  H     50.552396   71.396039   52.173486    18   718
   723  H     52.168548   73.420027   50.966629    17   719
   724  C     51.494237   73.560039   53.040159     1   719   725   729   730
   725  C     50.663036   74.682244   52.363186     1   724   726   731   732
   726  C     51.636479   75.618401   51.694997     2   725   727   728
   727  O     52.723432   75.949854   52.160093    13   726
   728  N     51.203023   76.074778   50.495089     8   726   733   734
   729  H     52.242653   73.971892   53.729259    17   724
   730  H     50.795278   72.867544   53.527386    17   724
   731  H     50.106487   75.195421   53.158788    17   725
   732  H     50.048055   74.251679   51.540287    17   725
   733  H     51.869829   76.714258   50.035100    18   728
   734  H     50.277405   75.711236   50.229302    18   728
   735  N     54.197886   73.610781   52.578364     8   720   736   739
   736  C     55.629160   73.503889   52.906092     1   735   737   740   741
   737  C     55.941792   72.593323   54.046016     2   736   738   747
   738  O     55.059842   71.909409   54.564257    13   737
   739  H     53.688669   74.480983   52.619966    18   735
   740  H     56.101097   73.101664   51.971631    17   736
   741  C     56.129941   74.940621   53.183565     1   736   742   745   746
   742  C     56.706824   75.465961   51.895981     3   741   743   744
   743  O-    56.022200   76.252950   51.217757    14   742
   744  O-    57.844063   75.066514   51.605044    14   742
   745  H     56.888995   74.921092   53.977279    17   741
   746  H     55.233889   75.545657   53.473842    17   741
   747  N     57.217389   72.566895   54.457403     8   737   748   751
   748  C     57.629016   71.702660   55.558447     1   747   749   752   753
   749  C     57.907507   72.418552   56.853756     2   748   750   754
   750  O     58.859914   72.140451   57.548424    13   749
   751  H     57.858262   73.175903   53.950426    18   747
   752  H     56.796879   70.995883   55.769209    17   748
   753  H     58.577414   71.161238   55.305175    17   748
   754  N     56.998506   73.370981   57.137583     8   749   755   758
   755  C     57.140803   74.136665   58.355249     1   754   756   759   760
   756  C     55.989176   75.070883   58.663948     2   755   757   766
   757  O     56.199363   76.046283   59.371458    13   756
   758  H     56.265247   73.480387   56.452038    18   754
   759  H     57.196183   73.415378   59.209821    17   755
   760  C     58.420166   75.005943   58.260603     1   755   761   764   765
   761  C     58.201333   76.078727   57.221571     3   760   762   763
   762  O-    57.661903   75.705029   56.171373    14   761
   763  O-    58.578646   77.236987   57.509915    14   761
   764  H     59.273063   74.377667   57.925783    17   760
   765  H     58.534334   75.529961   59.227081    17   760
   766  N     54.812268   74.723405   58.117957     8   756   767   770
   767  C     53.574360   75.459809   58.273612     1   766   768   771   772
   768  C     52.449833   74.948033   57.378686     2   767   769   780
   769  O     52.776428   74.268163   56.404596    13   768
   770  H     54.840973   73.867143   57.556723    18   766
   771  H     53.206449   75.403070   59.310251    17   767
   772  C     53.792819   76.949768   57.906132     1   767   773   776   777
   773  C     52.568856   77.752492   58.245853     2   772   774   775
   774  O     51.819803   78.243969   57.438375    13   773
   775  N     52.341479   77.901523   59.572568     8   773   778   779
   776  H     53.955378   77.027449   56.799923    17   772
   777  H     54.617271   77.401023   58.484662    17   772
   778  H     53.046363   77.435394   60.162466    18   775
   779  H     51.493873   78.451977   59.780039    18   775
   780  N     51.235730   75.306267   57.769957     8   768   781   784
   781  C     49.987861   74.965329   57.089770     1   780   782   785   786
   782  C     49.351920   73.679656   57.518684     2   781   783   800
   783  O     48.862011   73.616811   58.647429    13   782
   784  H     51.150424   75.879008   58.620707    18   780
   785  H     49.251614   75.765169   57.365621    17   781
   786  C     50.142025   75.021526   55.547352     1   781   787   793   794
   787  C     50.667524   76.394095   55.247915     4   786   788   789
   788  C     51.950796   76.528949   54.773441     4   787   790   795
   789  C     49.815287   77.462047   55.473462     4   787   791   796
   790  C     52.407002   77.823688   54.514495     4   788   792   797
   791  C     50.259287   78.746342   55.217124     4   789   792   798
   792  C     51.560800   78.888149   54.742701     4   790   791   799
   793  H     49.149683   74.896478   55.078313    17   786
   794  H     50.830727   74.225568   55.227561    17   786
   795  H     52.604752   75.668159   54.600441    17   788
   796  H     48.803036   77.296531   55.850138    17   789
   797  H     53.424828   78.018092   54.136656    17   790
   798  H     49.600791   79.612017   55.387507    17   791
   799  H     51.917800   79.897502   54.551741    17   792
   800  N     49.350671   72.678071   56.649224     8   782   801   804
   801  C     48.715917   71.418555   57.062649     1   800   802   805   806
   802  C     49.222273   70.196207   56.376099     2   801   803   822
   803  O     49.786328   70.244173   55.310639    13   802
   804  H     49.757355   72.731020   55.728080    18   800
   805  H     48.924213   71.321012   58.158378    17   801
   806  C     47.184309   71.571916   56.854542     1   801   807   811   812
   807  C     46.907977   72.679699   55.832989     1   806   808   813   814
   808  C     45.364665   72.822641   55.713405     1   807   809   815   816
   809  C     44.930910   74.296733   55.930642     1   808   810   817   818
   810  N+    44.614549   74.944542   54.628729     9   809   819   820   821
   811  H     46.695880   71.797412   57.819087    17   806
   812  H     46.813236   70.619357   56.420749    17   806
   813  H     47.315408   72.395250   54.836406    17   807
   814  H     47.284769   73.664816   56.140802    17   807
   815  H     44.908647   72.190782   56.488036    17   808
   816  H     45.109374   72.528978   54.685405    17   808
   817  H     45.731549   74.822924   56.473266    17   809
   818  H     43.980580   74.241647   56.522596    17   809
   819  H     45.070727   75.860596   54.600818    19   810
   820  H     43.608227   75.076559   54.507096    19   810
   821  H     45.006585   74.366832   53.880295    19   810
   822  N     48.951528   69.100501   57.122645     8   802   823   826
   823  C     49.366266   67.787629   56.646579     1   822   824   827   828
   824  C     48.835762   66.698596   57.536817     2   823   825   836
   825  O     48.354632   66.997375   58.629694    13   824
   826  H     48.464657   69.202296   58.006647    18   822
   827  H     49.061638   67.601522   55.606260    17   823
   828  C     50.913403   67.752680   56.782952     1   823   829   830   831
   829  O     51.388122   67.329383   55.528849    15   828   832
   830  C     51.368585   66.805488   57.894255     1   828   833   834   835
   831  H     51.288938   68.799148   56.902974    17   828
   832  H     50.903144   67.834743   54.901548    23   829
   833  H     50.824224   67.027155   58.845046    17   830
   834  H     52.471802   66.892574   58.068358    17   830
   835  H     51.173762   65.759332   57.602958    17   830
   836  N     48.934128   65.463787   57.045542     8   824   837   840
   837  C     48.446784   64.332661   57.852962     1   836   838   841   842
   838  C     48.910438   63.052617   57.211694     2   837   839   858
   839  O     49.598529   63.098539   56.208059    13   838
   840  H     49.342815   65.288588   56.119055    18   836
   841  H     48.935892   64.366076   58.850862    17   837
   842  C     46.914288   64.311538   57.940121     1   837   843   847   848
   843  C     46.265864   63.868118   56.602467     1   842   844   849   850
   844  C     45.200476   64.900010   56.172815     1   843   845   851   852
   845  C     44.590283   64.479683   54.816691     1   844   846   853   854
   846  N+    43.342448   65.260500   54.596467     9   845   855   856   857
   847  H     46.571052   65.347625   58.180631    17   842
   848  H     46.550316   63.606038   58.707095    17   842
   849  H     45.749700   62.911819   56.770871    17   843
   850  H     47.081101   63.799977   55.861882    17   843
   851  H     45.728189   65.870101   56.066817    17   844
   852  H     44.426869   64.917725   56.955478    17   844
   853  H     44.322242   63.398775   54.842234    17   845
   854  H     45.276717   64.706037   53.974208    17   845
   855  H     42.590147   64.837731   55.144593    19   846
   856  H     43.050704   65.250802   53.610481    19   846
   857  H     43.490877   66.238397   54.856386    19   846
   858  N     48.484379   61.972376   57.853195     8   838   859   862
   859  C     48.776037   60.593491   57.461862     1   858   860   863   864
   860  C     50.057025   60.096807   58.082497     2   859   861   872
   861  O     51.148895   60.609028   57.841898    13   860
   862  H     47.906377   62.154763   58.686257    18   858
   863  H     47.931547   59.966099   57.820703    17   859
   864  C     48.777477   60.424810   55.920633     1   859   865   866   867
   865  O     50.035406   60.735595   55.401999    15   864   868
   866  C     47.680923   61.291876   55.272924     1   864   869   870   871
   867  H     48.607091   59.332440   55.735470    17   864
   868  H     50.628548   60.067361   55.720339    23   865
   869  H     47.013604   61.647762   56.100434    17   866
   870  H     47.101833   60.678834   54.553124    17   866
   871  H     48.075497   62.165877   54.735434    17   866
   872  N     49.914267   59.059243   58.913844     8   860   873   876
   873  C     51.056772   58.446613   59.606932     1   872   874   877   878
   874  C     50.990155   56.924447   59.640953     2   873   875   886
   875  O     49.899748   56.389417   59.727627    13   874
   876  H     48.975402   58.683758   59.072564    18   872
   877  H     51.972575   58.670991   59.028822    17   873
   878  C     51.234298   59.000915   61.026873     1   873   879   882   883
   879  C     51.589676   60.456887   60.957457     2   878   880   881
   880  O     50.781957   61.357060   61.152279    13   879
   881  N     52.882368   60.727771   60.661287     8   879   884   885
   882  H     52.048051   58.429543   61.526607    17   878
   883  H     50.227553   58.946890   61.515066    17   878
   884  H     53.459903   59.885697   60.520708    18   881
   885  H     53.095949   61.736671   60.617534    18   881
   886  N     52.198770   56.386111   59.558218     8   874   887   890
   887  C     52.476008   54.942087   59.557100     1   886   888   891   892
   888  C     51.490833   54.251993   60.467577     2   887   889   897
   889  O     51.522992   54.403295   61.679318    13   888
   890  H     53.002498   57.023143   59.485220    18   886
   891  H     52.334436   54.524852   58.533853    17   887
   892  C     53.907461   54.676292   60.017989     1   887   893   894   895
   893  O     54.416658   55.852936   60.593628    15   892   896
   894  H     54.545495   54.502881   59.113212    17   892
   895  H     53.965239   53.847212   60.766643    17   892
   896  H     55.236821   56.064979   60.170470    23   893
   897  N     50.637840   53.506725   59.752228     8   888   898   901
   898  C     49.546954   52.739785   60.382319     1   897   899   902   903
   899  C     48.638093   53.749304   61.057996     2   898   900   911
   900  O     48.894552   54.198708   62.159580    13   899
   901  H     50.725450   53.466399   58.743394    18   897
   902  H     48.937125   52.251768   59.580321    17   898
   903  C     50.048782   51.654933   61.316728     1   898   904   905   906
   904  O     49.788731   51.958814   62.663622    15   903   907
   905  C     51.580894   51.428694   61.164471     1   903   908   909   910
   906  H     49.479286   50.711707   61.107678    17   903
   907  H     50.490951   52.484008   63.013332    23   904
   908  H     51.833741   51.552762   60.096233    17   905
   909  H     51.872157   50.423871   61.504102    17   905
   910  H     52.122554   52.166577   61.792804    17   905
   911  N     47.578006   54.065656   60.278435     8   899   912   915
   912  C     46.568041   55.028927   60.701778     1   911   913   916   917
   913  C     46.272355   54.981114   62.197557     2   912   914   931
   914  O     45.386276   54.274247   62.676572    13   913
   915  H     47.560016   53.573581   59.380992    18   911
   916  H     46.985628   56.048721   60.496281    17   912
   917  C     45.250981   54.895503   59.938038     1   912   918   924   925
   918  C     45.312944   53.923160   58.808029     4   917   919   920
   919  C     45.588040   54.308459   57.490404     4   918   921   926
   920  C     45.088720   52.587244   59.075581     4   918   922   927
   921  C     45.635582   53.370108   56.475257     4   919   923   928
   922  C     45.136069   51.641652   58.050517     4   920   923   929
   923  C     45.410670   52.037047   56.746311     4   921   922   930
   924  H     44.989778   55.905549   59.526290    17   917
   925  H     44.418433   54.588866   60.623485    17   917
   926  H     45.766123   55.365917   57.288244    17   919
   927  H     44.864834   52.218694   60.086723    17   920
   928  H     45.853398   53.674663   55.438685    17   921
   929  H     44.958609   50.575658   58.254681    17   922
   930  H     45.445171   51.290138   55.939504    17   923
   931  N     47.104674   55.796174   62.886503     8   913   932   935
   932  C     46.940431   55.837859   64.333527     1   931   933   936   937
   933  C     46.587257   57.216933   64.860849     2   932   934   955
   934  O     45.487193   57.452792   65.334607    13   933
   935  H     47.812024   56.339736   62.371320    18   931
   936  H     46.099918   55.177751   64.669663    17   932
   937  C     48.209164   55.393110   65.078515     1   932   938   944   945
   938  C     47.911236   54.115943   65.875600     1   937   939   946   947
   939  C     47.712369   54.462850   67.369363     1   938   940   948   949
   940  N     46.518065   55.289545   67.504631    10   939   941   950
   941  C+    46.395782   56.103591   68.560185     5   940   942   943
   942  N     47.336100   56.206072   69.526426    10   941   951   952
   943  N     45.295497   56.857454   68.673900    10   941   953   954
   944  H     48.508001   56.189249   65.808624    17   937
   945  H     49.016261   55.184055   64.352621    17   937
   946  H     48.793284   53.456188   65.789387    17   938
   947  H     46.989816   53.618089   65.498595    17   938
   948  H     48.597405   55.052653   67.683350    17   939
   949  H     47.656667   53.548508   67.977189    17   939
   950  H     45.811431   55.206459   66.768198    20   940
   951  H     47.235117   56.835353   70.320882    20   942
   952  H     48.174597   55.646050   69.468982    20   942
   953  H     44.564171   56.811341   67.970020    20   943
   954  H     45.164102   57.484079   69.459655    20   943
   955  N     47.621722   58.035306   64.715745     8   933   956   959
   956  C     47.532766   59.412272   65.146723     1   955   957   960   961
   957  C     46.763845   60.225139   64.115114     2   956   958   969
   958  O     47.162134   60.333282   62.976578    13   957
   959  H     48.480381   57.658727   64.288916    18   955
   960  H     46.975225   59.451056   66.106201    17   956
   961  C     48.948101   60.008246   65.273780     1   956   962   965   966
   962  C     48.902671   61.148017   66.284455     2   961   963   964
   963  O     49.276531   62.284825   65.999163    13   962
   964  N     48.430841   60.795408   67.479752     8   962   967   968
   965  H     49.306224   60.437137   64.320239    17   961
   966  H     49.616774   59.254099   65.729040    17   961
   967  H     48.144979   59.829095   67.616271    18   964
   968  H     48.348238   61.467998   68.235891    18   964
   969  N     45.669674   60.757702   64.644974     8   957   970   973
   970  C     44.808685   61.575532   63.799123     1   969   971   974   975
   971  C     45.403943   62.962077   63.623436     2   970   972   990
   972  O     45.222461   63.806188   64.500992    13   971
   973  H     45.479376   60.569580   65.624785    18   969
   974  H     44.713294   61.070581   62.827801    17   970
   975  C     43.443818   61.706914   64.506641     1   970   976   983   984
   976  C     42.398348   62.165046   63.529869     4   975   977   978
   977  C     41.508092   63.178744   63.918136     4   976   979   985
   978  C     42.297926   61.608130   62.264477     4   976   980   986
   979  C     40.519954   63.652803   63.072732     4   977   981   987
   980  C     41.301739   62.084795   61.422854     4   978   981   988
   981  C     40.415747   63.095676   61.806609     4   979   980   982
   982  O     39.449885   63.547079   60.965157    15   981   989
   983  H     43.521897   62.437704   65.327844    17   975
   984  H     43.150949   60.699069   64.880094    17   975
   985  H     41.604050   63.604790   64.935238    17   977
   986  H     42.977198   60.820626   61.939149    17   978
   987  H     39.864704   64.446756   63.437364    17   979
   988  H     41.202906   61.644496   60.412379    17   980
   989  H     39.303123   64.480301   61.206549    23   982
   990  N     46.082026   63.093488   62.489509     8   971   991   994
   991  C     46.737542   64.356647   62.123224     1   990   992   995   996
   992  C     45.815417   65.310515   61.406165     2   991   993  1002
   993  O     45.045016   64.901338   60.566786    13   992
   994  H     46.157738   62.308940   61.855607    18   990
   995  H     47.074735   64.894905   63.029889    17   991
   996  C     47.990119   64.072007   61.261273     1   991   997  1000  1001
   997  C     48.915386   65.260575   61.311307     3   996   998   999
   998  O-    48.523819   66.319570   61.870719    14   997
   999  O-    50.027663   65.121835   60.782677    14   997
  1000  H     47.661197   63.965111   60.216420    17   996
  1001  H     48.532160   63.201215   61.709783    17   996
  1002  N     45.934963   66.597619   61.786227     8   992  1003  1006
  1003  C     45.118272   67.633088   61.192513     1  1002  1004  1007  1008
  1004  C     45.770318   68.993498   61.103317     2  1003  1005  1021
  1005  O     45.923608   69.514692   60.002796    13  1004
  1006  H     46.614330   66.841689   62.502172    18  1002
  1007  H     44.850956   67.328630   60.147404    17  1003
  1008  C     43.821002   67.857952   62.013800     1  1003  1009  1012  1013
  1009  C     42.968022   66.585869   62.056418     1  1008  1010  1011  1014
  1010  C     41.964948   66.719734   63.235484     1  1009  1015  1016  1017
  1011  C     42.233126   66.428649   60.720025     1  1009  1018  1019  1020
  1012  H     43.256568   68.690779   61.571488    17  1008
  1013  H     44.134262   68.087699   63.062685    17  1008
  1014  H     43.579570   65.678954   62.267806    17  1009
  1015  H     42.436338   66.413601   64.195278    17  1010
  1016  H     41.110233   66.056404   62.995105    17  1010
  1017  H     41.628749   67.761933   63.344474    17  1010
  1018  H     41.979984   67.442817   60.322895    17  1011
  1019  H     41.268426   65.902925   60.922869    17  1011
  1020  H     42.868462   65.857962   60.027937    17  1011
  1021  N     46.144917   69.544908   62.249635     8  1004  1022  1025
  1022  C     46.786554   70.869278   62.207372     1  1021  1023  1026  1027
  1023  C     48.277659   70.677934   62.243225     2  1022  1024  1033
  1024  O     48.777878   69.841910   62.968302    13  1023
  1025  H     46.017281   69.102333   63.148294    18  1021
  1026  H     46.552003   71.400592   61.269866    17  1022
  1027  C     46.307195   71.636377   63.451698     1  1022  1028  1031  1032
  1028  C     44.837186   71.991041   63.273268     3  1027  1029  1030
  1029  O-    44.644932   73.171019   62.921157    14  1028
  1030  O-    44.027035   71.079064   63.509135    14  1028
  1031  H     46.886960   72.558954   63.592835    17  1027
  1032  H     46.311560   70.905569   64.296565    17  1027
  1033  N     48.983717   71.476822   61.431652     8  1023  1034  1037
  1034  C     50.453169   71.427445   61.330321     1  1033  1035  1038  1039
  1035  C     50.993674   72.781594   60.986632     2  1034  1036  1053
  1036  O     51.299339   73.182198   59.869045    13  1035
  1037  H     48.515409   72.168450   60.837497    18  1033
  1038  H     50.856768   71.075420   62.308425    17  1034
  1039  C     50.839370   70.406700   60.254354     1  1034  1040  1046  1047
  1040  C     52.278593   70.586472   59.830944     4  1039  1041  1042
  1041  C     52.587102   70.764204   58.500640     4  1040  1043  1048
  1042  C     53.225428   70.560995   60.844176     4  1040  1044  1049
  1043  C     53.924922   70.925133   58.159524     4  1041  1045  1050
  1044  C     54.558374   70.725866   60.469041     4  1042  1045  1051
  1045  C     54.894039   70.904149   59.140476     4  1043  1044  1052
  1046  H     50.174230   70.590286   59.379364    17  1039
  1047  H     50.699634   69.366143   60.603667    17  1039
  1048  H     51.827995   70.778830   57.720205    17  1041
  1049  H     52.932978   70.420830   61.890108    17  1042
  1050  H     54.153837   71.064023   57.097852    17  1043
  1051  H     55.303876   70.708160   61.263631    17  1044
  1052  H     55.944599   71.027737   58.874615    17  1045
  1053  N     51.119867   73.560454   62.063360     8  1035  1054  1057
  1054  C     51.631512   74.936577   62.010113     1  1053  1055  1058  1059
  1055  C     52.943733   74.966761   62.782723     2  1054  1056  1067
  1056  O     53.031295   75.686558   63.762873    13  1055
  1057  H     50.847808   73.174143   62.957356    18  1053
  1058  H     51.821647   75.269711   60.981444    17  1054
  1059  C     50.624037   75.846305   62.701787     1  1054  1060  1061  1062
  1060  O     49.326328   75.513738   62.244774    15  1059  1063
  1061  C     50.825326   77.333274   62.332355     1  1059  1064  1065  1066
  1062  H     50.664248   75.630348   63.798661    17  1059
  1063  H     49.220903   75.940703   61.424014    23  1060
  1064  H     50.051063   77.988242   62.777735    17  1061
  1065  H     50.829385   77.426417   61.230029    17  1061
  1066  H     51.833562   77.654454   62.686454    17  1061
  1067  N     53.873252   74.160756   62.270401     8  1055  1068  1071
  1068  C     55.175861   74.097554   62.946807     1  1067  1069  1072  1073
  1069  C     55.868966   75.419492   62.979191     2  1068  1070  1083
  1070  O     55.840877   76.185063   62.043630    13  1069
  1071  H     53.688710   73.603744   61.426072    18  1067
  1072  H     55.051390   73.777587   64.012903    17  1068
  1073  C     56.079893   73.049476   62.259517     1  1068  1074  1075  1076
  1074  C     57.490996   73.626775   62.023239     1  1073  1077  1078  1079
  1075  C     56.247308   71.827749   63.177081     1  1073  1080  1081  1082
  1076  H     55.608348   72.750806   61.307578    17  1073
  1077  H     57.377739   74.474194   61.326685    17  1074
  1078  H     58.111057   72.826074   61.563301    17  1074
  1079  H     57.883084   73.928630   63.012294    17  1074
  1080  H     55.334491   71.201534   63.147199    17  1075
  1081  H     56.436851   72.153816   64.230439    17  1075
  1082  H     57.085831   71.227388   62.775519    17  1075
  1083  N     56.497349   75.612917   64.153929     8  1069  1084  1087
  1084  C     57.221598   76.889427   64.298476     1  1083  1085  1088  1089
  1085  C     57.166895   77.473262   65.681526     2  1084  1086  1090
  1086  O     58.104230   78.081599   66.165306    13  1085
  1087  H     56.458362   74.907515   64.876343    18  1083
  1088  H     58.276850   76.682292   64.040696    17  1084
  1089  H     56.732574   77.627042   63.637100    17  1084
  1090  N     56.016623   77.242453   66.291751     8  1085  1091  1094
  1091  C     55.775242   77.718436   67.663342     1  1090  1092  1095  1096
  1092  C     54.865085   76.701537   68.332031     2  1091  1093  1106
  1093  O     54.058415   76.994618   69.180831    13  1092
  1094  H     55.254462   76.716911   65.843406    18  1090
  1095  H     56.708648   77.793020   68.236785    17  1091
  1096  C     54.969415   79.011679   67.569634     1  1091  1097  1098  1099
  1097  C     53.606620   78.810322   66.858939     1  1096  1100  1101  1102
  1098  C     54.766963   79.660780   68.966622     1  1096  1103  1104  1105
  1099  H     55.547285   79.700331   66.901262    17  1096
  1100  H     52.842298   79.456246   67.323083    17  1097
  1101  H     53.259502   77.768086   66.926701    17  1097
  1102  H     53.785517   79.085339   65.787502    17  1097
  1103  H     55.563346   79.287983   69.631762    17  1098
  1104  H     53.795472   79.282151   69.373903    17  1098
  1105  H     54.800561   80.757273   68.910299    17  1098
  1106  N     55.119359   75.485414   67.798912     8  1092  1107  1110
  1107  C     54.327029   74.366789   68.289389     1  1106  1108  1111  1112
  1108  C     54.231807   74.309500   69.811232     2  1107  1109  1121
  1109  O     55.048144   74.868756   70.532247    13  1108
  1110  H     55.825326   75.372584   67.085843    18  1106
  1111  H     53.274767   74.571479   67.958025    17  1107
  1112  C     54.771228   73.017213   67.730150     1  1107  1113  1117  1118
  1113  C     53.591085   72.246597   67.071970     1  1112  1114  1119  1120
  1114  C     53.166135   72.919821   65.805937     3  1113  1115  1116
  1115  O-    53.432686   72.290689   64.744737    14  1114
  1116  O-    52.587706   74.026489   65.835553    14  1114
  1117  H     55.085530   72.378423   68.595628    17  1112
  1118  H     55.587920   73.173307   67.007538    17  1112
  1119  H     52.749924   72.235925   67.789536    17  1113
  1120  H     53.994175   71.247356   66.777363    17  1113
  1121  N     53.159193   73.594570   70.193122     8  1108  1122  1125
  1122  C     52.868366   73.433613   71.600845     1  1121  1123  1126  1127
  1123  C     51.955486   72.279774   71.935203     2  1122  1124  1141
  1124  O     52.090201   71.588760   72.942738    13  1123
  1125  H     52.608568   73.204010   69.425892    18  1121
  1126  H     53.844501   73.312567   72.138447    17  1122
  1127  C     52.200530   74.700896   72.208085     1  1122  1128  1134  1135
  1128  C     51.145733   75.259098   71.323985     4  1127  1129  1130
  1129  C     49.900060   74.675615   71.189224     4  1128  1131  1136
  1130  C     51.372427   76.422910   70.572254     4  1128  1132  1137
  1131  C     48.926287   75.204337   70.352131     4  1129  1133  1138
  1132  C     50.428350   76.973079   69.732520     4  1130  1133  1139
  1133  C     49.181598   76.363100   69.610863     4  1131  1132  1140
  1134  H     52.967908   75.488940   72.385677    17  1127
  1135  H     51.741492   74.419452   73.181905    17  1127
  1136  H     49.686993   73.773353   71.759360    17  1129
  1137  H     52.346878   76.902098   70.671840    17  1130
  1138  H     47.966931   74.691036   70.290131    17  1131
  1139  H     50.639192   77.890403   69.154884    17  1132
  1140  H     48.390609   76.750744   68.961188    17  1133
  1141  N     50.977883   72.050182   71.064237     8  1123  1142  1145
  1142  C     50.008642   70.968884   71.253894     1  1141  1143  1146  1147
  1143  C     49.608811   70.308075   69.972737     2  1142  1144  1153
  1144  O     49.695100   70.892567   68.912971    13  1143
  1145  H     50.913246   72.656252   70.245011    18  1141
  1146  H     50.468442   70.210128   71.925069    17  1142
  1147  C     48.733199   71.578908   71.885196     1  1142  1148  1151  1152
  1148  C     47.753346   70.502062   72.238313     3  1147  1149  1150
  1149  O-    47.971822   69.786831   73.238016    14  1148
  1150  O-    46.764896   70.417205   71.458145    14  1148
  1151  H     48.241479   72.251923   71.150196    17  1147
  1152  H     49.057392   72.107287   72.814581    17  1147
  1153  N     49.161367   69.048743   70.064077     8  1143  1154  1157
  1154  C     48.730573   68.253755   68.913102     1  1153  1155  1158  1159
  1155  C     48.054717   66.998244   69.370504     2  1154  1156  1168
  1156  O     48.511185   65.869623   69.309144    13  1155
  1157  H     49.137483   68.654261   71.009124    18  1153
  1158  H     48.055921   68.809395   68.242103    17  1154
  1159  C     50.029531   67.913477   68.128712     1  1154  1160  1164  1165
  1160  C     49.754711   68.179367   66.646968     1  1159  1161  1166  1167
  1161  C     49.064849   66.982597   66.031708     3  1160  1162  1163
  1162  O-    48.234909   67.281952   65.131120    14  1161
  1163  O-    49.367285   65.833886   66.449068    14  1161
  1164  H     50.324371   66.859011   68.302685    17  1159
  1165  H     50.845688   68.568634   68.489442    17  1159
  1166  H     50.720817   68.317227   66.113918    17  1160
  1167  H     49.039453   69.035590   66.590684    17  1160
  1168  N     46.845646   67.258406   69.870204     8  1155  1169  1172
  1169  C     45.999358   66.195276   70.378982     1  1168  1170  1173  1174
  1170  C     44.560701   66.276447   69.897464     2  1169  1171  1186
  1171  O     44.146567   67.093330   69.098003    13  1170
  1172  H     46.548157   68.240170   69.878328    18  1168
  1173  H     46.417739   65.230380   70.028147    17  1169
  1174  C     46.015411   66.262498   71.924594     1  1169  1175  1180  1181
  1175  C     46.458809   64.928158   72.440745     6  1174  1176  1177
  1176  N     45.682478   64.048223   73.133650    12  1175  1178  1182
  1177  C     47.682565   64.397620   72.296975     6  1175  1179  1183
  1178  C     46.453606   62.982948   73.405633     7  1176  1179  1184
  1179  N     47.681598   63.193725   72.894394    12  1177  1178  1185
  1180  H     44.978302   66.464028   72.249819    17  1174
  1181  H     46.693651   67.074249   72.254947    17  1174
  1182  H     44.711568   64.186500   73.389905    22  1176
  1183  H     48.543861   64.847849   71.784908    17  1177
  1184  H     46.128716   62.097556   73.952099    17  1178
  1185  H     48.441152   62.515825   72.975333    22  1179
  1186  N     43.780719   65.341530   70.451365     8  1170  1187  1190
  1187  C     42.373064   65.222922   70.143930     1  1186  1188  1191  1192
  1188  C     41.600601   64.424502   71.188935     2  1187  1189  1200
  1189  O     42.188777   63.596372   71.842249    13  1188
  1190  H     44.211509   64.701305   71.113717    18  1186
  1191  H     41.934124   66.227088   70.075990    17  1187
  1192  C     42.167241   64.446788   68.812019     1  1187  1193  1194  1195
  1193  O     43.237711   64.721499   67.962849    15  1192  1196
  1194  C     40.885655   65.007226   68.178589     1  1192  1197  1198  1199
  1195  H     42.186400   63.364589   69.103286    17  1192
  1196  H     42.875071   65.272887   67.282745    23  1193
  1197  H     40.767429   64.592883   67.164191    17  1194
  1198  H     40.981799   66.117998   68.115088    17  1194
  1199  H     39.989007   64.768559   68.794267    17  1194
  1200  N     40.308040   64.722477   71.272228     8  1188  1201  1204
  1201  C     39.425057   64.052014   72.213534     1  1200  1202  1205  1206
  1202  C     38.452976   63.103065   71.550066     2  1201  1203  1222
  1203  O     37.387569   63.427267   71.048578    13  1202
  1204  H     39.965913   65.444421   70.641542    18  1200
  1205  H     40.024145   63.430482   72.925423    17  1201
  1206  C     38.631660   65.073747   73.056089     1  1201  1207  1211  1212
  1207  C     39.640015   66.151884   73.510855     1  1206  1208  1213  1214
  1208  C     39.025088   67.053948   74.590073     1  1207  1209  1215  1216
  1209  C     37.941550   67.944992   73.955628     1  1208  1210  1217  1218
  1210  N+    37.056224   68.572191   75.001259     9  1209  1219  1220  1221
  1211  H     38.254710   64.554637   73.956814    17  1206
  1212  H     37.797662   65.512802   72.479335    17  1206
  1213  H     39.882587   66.762235   72.619497    17  1207
  1214  H     40.558536   65.650449   73.904398    17  1207
  1215  H     39.846485   67.674702   75.018150    17  1208
  1216  H     38.578270   66.393648   75.359209    17  1208
  1217  H     37.292052   67.303489   73.305450    17  1209
  1218  H     38.417053   68.723354   73.336900    17  1209
  1219  H     36.317080   69.064818   74.495648    19  1210
  1220  H     37.574727   69.228799   75.578334    19  1210
  1221  H     36.617157   67.853800   75.573672    19  1210
  1222  N     38.909421   61.848597   71.576068     8  1202  1223  1226
  1223  C     38.166842   60.725571   71.003584     1  1222  1224  1227  1228
  1224  C     37.880129   59.675344   72.065629     2  1223  1225  1229
  1225  O     36.862862   59.697143   72.733773    13  1224
  1226  H     39.818498   61.687071   72.020817    18  1222
  1227  H     37.221026   61.109997   70.588161    17  1223
  1228  H     38.761243   60.216040   70.223834    17  1223
  1229  N     38.891484   58.798091   72.111217     8  1224  1230  1233
  1230  C     38.927315   57.658930   73.026735     1  1229  1231  1234  1235
  1231  C     39.742685   57.915794   74.279743     2  1230  1232  1248
  1232  O     39.311894   57.773856   75.424124    13  1231
  1233  H     39.685488   58.931100   71.470721    18  1229
  1234  H     37.909864   57.359521   73.319279    17  1230
  1235  C     39.616668   56.491264   72.290302     1  1230  1236  1239  1240
  1236  C     38.918030   55.152599   72.571163     1  1235  1237  1238  1241
  1237  C     38.313713   55.100267   73.991014     1  1236  1242  1243  1244
  1238  C     37.812999   54.874323   71.528505     1  1236  1245  1246  1247
  1239  H     40.678275   56.417811   72.619251    17  1235
  1240  H     39.556756   56.688031   71.197842    17  1235
  1241  H     39.714535   54.366693   72.546819    17  1236
  1242  H     37.334895   55.618219   73.985454    17  1237
  1243  H     39.026784   55.558718   74.691972    17  1237
  1244  H     38.164884   54.027875   74.261206    17  1237
  1245  H     37.166507   54.061619   71.893832    17  1238
  1246  H     38.253591   54.603958   70.544901    17  1238
  1247  H     37.195082   55.791872   71.358604    17  1238
  1248  N     40.986225   58.313699   74.013639     8  1231  1249  1252
  1249  C     41.902505   58.596796   75.119037     1  1248  1250  1253  1254
  1250  C     41.783438   60.038559   75.546345     2  1249  1251  1260
  1251  O     41.516229   60.377637   76.686344    13  1250
  1252  H     41.329171   58.432014   73.067518    18  1248
  1253  H     41.651507   57.914271   75.951528    17  1249
  1254  C     43.349741   58.345282   74.655678     1  1249  1255  1258  1259
  1255  C     43.449886   56.963010   74.069404     3  1254  1256  1257
  1256  O-    42.620291   56.095905   74.392907    14  1255
  1257  O-    44.400716   56.759402   73.269932    14  1255
  1258  H     44.054071   58.394354   75.512435    17  1254
  1259  H     43.544944   59.078695   73.833914    17  1254
  1260  N     42.001740   60.882839   74.541277     8  1250  1261  1264
  1261  C     41.955902   62.340970   74.649758     1  1260  1262  1265  1266
  1262  C     42.459495   62.898057   75.948501     2  1261  1263  1267
  1263  O     41.738520   63.293919   76.845345    13  1262
  1264  H     42.222947   60.500304   73.610379    18  1260
  1265  H     42.667439   62.725854   73.873493    17  1261
  1266  H     40.907966   62.675441   74.454276    17  1261
  1267  N     43.812149   62.896312   75.971461     8  1262  1268  1271
  1268  C     44.546203   63.412171   77.141668     1  1267  1269  1272  1273
  1269  C     45.546556   64.470429   76.748627     2  1268  1270  1291
  1270  O     45.172185   65.632181   76.628202    13  1269
  1271  H     44.276880   62.526459   75.145017    18  1267
  1272  H     43.789548   63.939016   77.779362    17  1268
  1273  C     45.215918   62.282997   77.925053     1  1268  1274  1280  1281
  1274  C     46.033893   62.942711   79.064783     1  1273  1275  1282  1283
  1275  C     46.200491   61.983299   80.256373     1  1274  1276  1284  1285
  1276  N     47.104038   62.520706   81.260178    10  1275  1277  1286
  1277  C+    47.087320   62.060651   82.536502     5  1276  1278  1279
  1278  N     46.221188   61.097511   82.897855    10  1277  1287  1288
  1279  N     47.944213   62.583459   83.424179    10  1277  1289  1290
  1280  H     45.898970   61.699264   77.268006    17  1273
  1281  H     44.445240   61.637751   78.379968    17  1273
  1282  H     45.532449   63.889391   79.354550    17  1274
  1283  H     47.045481   63.212148   78.686382    17  1274
  1284  H     46.597798   61.001731   79.922544    17  1275
  1285  H     45.190611   61.849969   80.705495    17  1275
  1286  H     47.755015   63.258067   80.967215    20  1276
  1287  H     46.186656   60.734781   83.857017    20  1278
  1288  H     45.567644   60.700938   82.213700    20  1278
  1289  H     47.945482   62.254141   84.394515    20  1279
  1290  H     48.612915   63.306944   83.155688    20  1279
  1291  N     46.792974   64.063477   76.551457     8  1269  1292  1295
  1292  C     47.846029   65.017264   76.159870     1  1291  1293  1296  1297
  1293  C     49.179045   64.334832   75.966340     2  1292  1294  1305
  1294  O     49.317971   63.177910   76.294897    13  1293
  1295  H     47.066051   63.088177   76.661059    18  1291
  1296  H     47.550765   65.406454   75.157072    17  1292
  1297  C     47.988011   66.151245   77.184631     1  1292  1298  1301  1302
  1298  C     48.106259   67.444429   76.425964     2  1297  1299  1300
  1299  O     49.189056   67.961061   76.167927    13  1298
  1300  N     46.916898   67.943152   76.080945     8  1298  1303  1304
  1301  H     48.919554   66.060047   77.787675    17  1297
  1302  H     47.054950   66.233613   77.799048    17  1297
  1303  H     46.848318   68.810090   75.563944    18  1300
  1304  H     46.082473   67.437631   76.342192    18  1300
  1305  N     50.119619   65.136927   75.416916     8  1293  1306  1309
  1306  C     51.479904   64.642550   75.152343     1  1305  1307  1310  1311
  1307  C     52.540031   65.704479   75.189093     2  1306  1308  1321
  1308  O     53.593636   65.484029   75.769358    13  1307
  1309  H     49.837459   66.086628   75.200822    18  1305
  1310  H     51.728032   63.891630   75.943279    17  1306
  1311  C     51.503651   63.910680   73.798156     1  1306  1312  1313  1314
  1312  C     52.070447   64.800529   72.668303     1  1311  1315  1316  1317
  1313  C     52.373488   62.639546   73.876630     1  1311  1318  1319  1320
  1314  H     50.447604   63.684173   73.545179    17  1311
  1315  H     52.022179   64.235925   71.703161    17  1312
  1316  H     53.136692   65.038400   72.840601    17  1312
  1317  H     51.454517   65.713000   72.568728    17  1312
  1318  H     52.832554   62.481293   72.882640    17  1313
  1319  H     51.728889   61.783557   74.118314    17  1313
  1320  H     53.159495   62.808158   74.654329    17  1313
  1321  N     52.147858   66.798507   74.546922     8  1307  1322  1325
  1322  C     52.976727   67.983446   74.426303     1  1321  1323  1326  1327
  1323  C     53.911787   67.888088   73.247791     2  1322  1324  1343
  1324  O     54.799932   67.040019   73.190063    13  1323
  1325  H     51.231111   66.794447   74.120389    18  1321
  1326  H     52.312175   68.869723   74.256101    17  1322
  1327  C     53.776216   68.251298   75.723841     1  1322  1328  1332  1333
  1328  C     53.910575   69.775533   75.843614     1  1327  1329  1334  1335
  1329  C     52.562184   70.318200   76.372006     1  1328  1330  1336  1337
  1330  C     52.858347   71.621254   77.109407     1  1329  1331  1338  1339
  1331  N+    53.468813   72.582698   76.136892     9  1330  1340  1341  1342
  1332  H     54.747440   67.746425   75.624946    17  1327
  1333  H     53.172160   67.814101   76.555806    17  1327
  1334  H     54.107047   70.157965   74.813479    17  1328
  1335  H     54.729076   69.991496   76.543227    17  1328
  1336  H     52.085307   69.549686   77.005294    17  1329
  1337  H     51.919837   70.489737   75.469141    17  1329
  1338  H     53.623249   71.397427   77.895340    17  1330
  1339  H     51.939918   72.044934   77.576045    17  1330
  1340  H     54.463227   72.368559   75.975300    19  1331
  1341  H     53.388044   73.533418   76.477379    19  1331
  1342  H     52.987293   72.484391   75.239288    19  1331
  1343  N     53.635951   68.819841   72.331221     8  1323  1344  1347
  1344  C     54.359211   68.982717   71.071567     1  1343  1345  1348  1349
  1345  C     55.091745   70.292668   70.933963     2  1344  1346  1357
  1346  O     54.692326   71.299683   71.465074    13  1345
  1347  H     52.866029   69.473205   72.515433    18  1343
  1348  H     55.095355   68.182878   70.895354    17  1344
  1349  C     53.297786   68.823834   69.945059     1  1344  1350  1351  1352
  1350  O     52.876947   67.471877   70.061933    15  1349  1353
  1351  C     53.918992   69.061029   68.555884     1  1349  1354  1355  1356
  1352  H     52.413100   69.404730   70.238803    17  1349
  1353  H     52.612695   67.208638   69.194155    23  1350
  1354  H     53.792254   70.131018   68.311710    17  1351
  1355  H     53.365784   68.462187   67.809641    17  1351
  1356  H     55.008518   68.813165   68.549677    17  1351
  1357  N     56.178713   70.128777   70.165617     8  1345  1358  1361
  1358  C     57.034754   71.256860   69.884197     1  1357  1359  1362  1363
  1359  C     57.248478   71.462294   68.391387     2  1358  1360  1376
  1360  O     56.705731   70.809998   67.513764    13  1359
  1361  H     56.377757   69.212848   69.789288    18  1357
  1362  H     56.507564   72.175459   70.252595    17  1358
  1363  C     58.409878   71.148160   70.578891     1  1358  1364  1367  1368
  1364  C     58.664716   69.726215   71.126468     1  1363  1365  1366  1369
  1365  C     60.178652   69.670465   71.479024     1  1364  1370  1371  1372
  1366  C     57.910687   69.582985   72.446274     1  1364  1373  1374  1375
  1367  H     58.365957   71.818150   71.460615    17  1363
  1368  H     59.192595   71.451491   69.855904    17  1363
  1369  H     58.389480   68.943220   70.407026    17  1364
  1370  H     60.301950   69.094118   72.408544    17  1365
  1371  H     60.547184   70.711222   71.637230    17  1365
  1372  H     60.706073   69.232920   70.620141    17  1365
  1373  H     56.861750   69.282808   72.270759    17  1366
  1374  H     57.975414   70.543901   73.006531    17  1366
  1375  H     58.394316   68.782987   73.064726    17  1366
  1376  N     58.096307   72.447797   68.112423     8  1359  1377  1380
  1377  C     58.458592   72.843220   66.753082     1  1376  1378  1381  1382
  1378  C     59.606037   71.998868   66.224583     2  1377  1379  1392
  1379  O     60.621684   71.752578   66.840433    13  1378
  1380  H     58.509796   72.957224   68.880306    18  1376
  1381  H     57.557951   72.666940   66.123559    17  1377
  1382  C     58.859119   74.321301   66.763218     1  1377  1383  1384  1385
  1383  C     58.079300   75.056833   67.874571     1  1382  1386  1387  1388
  1384  C     60.365924   74.512337   67.037509     1  1382  1389  1390  1391
  1385  H     58.577696   74.813628   65.804112    17  1382
  1386  H     57.146944   74.502812   68.154654    17  1383
  1387  H     57.755621   76.029161   67.470468    17  1383
  1388  H     58.717614   75.188885   68.765026    17  1383
  1389  H     60.630509   75.582805   67.036885    17  1384
  1390  H     60.968800   73.969066   66.283719    17  1384
  1391  H     60.619040   74.122779   68.057680    17  1384
  1392  N     59.327230   71.571903   65.002807     8  1378  1393  1396
  1393  C     60.220535   70.721619   64.192489     1  1392  1394  1397  1398
  1394  C     60.283094   71.263532   62.806269     2  1393  1395  1406
  1395  O     60.059739   70.599832   61.792344    13  1394
  1396  H     58.441559   71.799132   64.559909    18  1392
  1397  H     61.198782   70.667771   64.680655    17  1393
  1398  C     59.511031   69.340109   64.169979     1  1393  1399  1400  1401
  1399  O     58.392112   69.411587   63.304688    15  1398  1402
  1400  C     59.006231   68.996308   65.577196     1  1398  1403  1404  1405
  1401  H     60.202378   68.610987   63.731286    17  1398
  1402  H     57.627103   69.553835   63.821386    23  1399
  1403  H     58.382451   68.085865   65.494086    17  1400
  1404  H     58.348296   69.782760   66.010950    17  1400
  1405  H     59.893526   68.819607   66.231702    17  1400
  1406  N     60.614141   72.569856   62.687765     8  1394  1407  1410
  1407  C     60.735963   73.260426   61.422814     1  1406  1408  1411  1412
  1408  C     61.745758   72.503164   60.563552     2  1407  1409  1430
  1409  O     61.705705   72.689662   59.355768    13  1408
  1410  H     60.785875   73.051221   63.570908    18  1406
  1411  H     59.823810   73.234164   60.806392    17  1407
  1412  C     61.234621   74.720720   61.617953     1  1407  1413  1422  1423
  1413  C     62.745361   74.603242   61.605179     6  1412  1414  1415
  1414  C     63.454609   74.767803   60.483324     6  1413  1416  1424
  1415  C     63.500138   74.317465   62.668435     4  1413  1417  1418
  1416  N     64.707192   74.551361   60.933800    11  1414  1417  1425
  1417  C     64.779048   74.277371   62.251756     4  1415  1416  1419
  1418  C     63.153902   74.090165   63.956975     4  1415  1420  1426
  1419  C     65.756120   73.996965   63.138215     4  1417  1421  1427
  1420  C     64.117565   73.812136   64.843186     4  1418  1421  1428
  1421  C     65.391499   73.770663   64.410009     4  1419  1420  1429
  1422  H     60.891179   75.146960   62.568531    17  1412
  1423  H     60.883711   75.343755   60.784462    17  1412
  1424  H     63.121534   74.997371   59.473554    17  1414
  1425  H     65.521058   74.590855   60.288573    21  1416
  1426  H     62.122028   74.127493   64.320445    17  1418
  1427  H     66.824529   73.954659   62.836699    17  1419
  1428  H     63.864307   73.632078   65.892332    17  1420
  1429  H     66.161619   73.536191   65.154588    17  1421
  1430  N     62.547603   71.719326   61.262248     8  1408  1431  1434
  1431  C     63.534095   70.925998   60.513943     1  1430  1432  1435  1436
  1432  C     64.566491   71.718349   59.788510     2  1431  1433  1445
  1433  O     64.424648   72.636023   59.019173    13  1432
  1434  H     62.521801   71.629543   62.265747    18  1430
  1435  H     64.057250   70.264225   61.252105    17  1431
  1436  C     62.749422   69.998572   59.565531     1  1431  1437  1441  1442
  1437  C     62.827185   70.403418   58.102848     1  1436  1438  1443  1444
  1438  C     61.492827   70.069019   57.440472     3  1437  1439  1440
  1439  O-    61.331230   70.664640   56.343028    14  1438
  1440  O-    60.708000   69.292705   57.995903    14  1438
  1441  H     61.693612   69.975751   59.940459    17  1436
  1442  H     63.171949   68.964049   59.653665    17  1436
  1443  H     63.584049   69.752280   57.592874    17  1437
  1444  H     62.953713   71.480235   57.927687    17  1437
  1445  N     65.792002   71.242234   60.096740     8  1432  1446  1449
  1446  C     67.024462   71.754859   59.473195     1  1445  1447  1450  1451
  1447  C     67.566293   70.592355   58.643201     2  1446  1448  1452
  1448  O     68.745371   70.552625   58.399681    13  1447
  1449  H     65.873245   70.471687   60.755757    18  1445
  1450  H     66.741941   72.558203   58.781878    17  1446
  1451  H     67.781643   72.030705   60.217730    17  1446
  1452  N     66.584142   69.744743   58.310279     8  1447  1453  1456
  1453  C     66.735527   68.517613   57.565836     1  1452  1454  1457  1458
  1454  C     66.285523   67.359451   58.453059     2  1453  1455  1466
  1455  O     65.991518   66.257459   58.052854    13  1454
  1456  H     65.642185   70.012860   58.633957    18  1452
  1457  H     66.063031   68.541041   56.671729    17  1453
  1458  C     68.176183   68.237455   57.129280     1  1453  1459  1462  1463
  1459  C     68.158953   66.929961   56.407704     2  1458  1460  1461
  1460  O     67.844801   66.873720   55.234440    13  1459
  1461  N     68.517723   65.918704   57.187035     8  1459  1464  1465
  1462  H     68.831813   68.116986   58.029402    17  1458
  1463  H     68.524800   69.038806   56.427752    17  1458
  1464  H     68.762118   66.104476   58.158304    18  1461
  1465  H     68.547332   64.976194   56.822523    18  1461
  1466  N     66.247994   67.700442   59.757034     8  1454  1467  1470
  1467  C     65.860635   66.818426   60.834938     1  1466  1468  1471  1472
  1468  C     65.129606   67.507814   61.983168     2  1467  1469  1480
  1469  O     65.669049   68.459301   62.516240    13  1468
  1470  H     66.518192   68.658480   59.982218    18  1466
  1471  H     65.135359   66.063681   60.434559    17  1467
  1472  C     67.050073   65.984626   61.374367     1  1467  1473  1474  1475
  1473  O     66.563304   64.671315   61.615963    15  1472  1476
  1474  C     67.554681   66.481504   62.723804     1  1472  1477  1478  1479
  1475  H     67.828494   65.868701   60.586496    17  1472
  1476  H     65.761230   64.780457   62.099848    23  1473
  1477  H     68.012838   67.496439   62.636319    17  1474
  1478  H     68.316775   65.770123   63.110115    17  1474
  1479  H     66.740199   66.527143   63.490756    17  1474
  1480  N     63.960899   66.942013   62.244123     8  1468  1481  1484
  1481  C     63.031144   67.341859   63.296274     1  1480  1482  1485  1486
  1482  C     61.604431   66.997597   63.020876     2  1481  1483  1499
  1483  O     61.027469   67.281335   61.989899    13  1482
  1484  H     63.676842   66.140082   61.664205    18  1480
  1485  H     63.315057   66.759904   64.212768    17  1481
  1486  C     63.186785   68.832985   63.681525     1  1481  1487  1490  1491
  1487  C     64.134950   68.891358   64.914516     1  1486  1488  1489  1492
  1488  C     65.210467   69.957428   64.772608     1  1487  1493  1494  1495
  1489  C     63.345015   69.198333   66.201996     1  1487  1496  1497  1498
  1490  H     62.196347   69.208208   63.975518    17  1486
  1491  H     63.610566   69.420236   62.857716    17  1486
  1492  H     64.554522   67.858609   65.026485    17  1487
  1493  H     65.204979   70.624290   65.672742    17  1488
  1494  H     64.985289   70.592777   63.890935    17  1488
  1495  H     66.221251   69.487663   64.654137    17  1488
  1496  H     63.884519   68.732593   67.052423    17  1489
  1497  H     62.330391   68.741657   66.116429    17  1489
  1498  H     63.285004   70.286542   66.384440    17  1489
  1499  N     61.076399   66.334652   64.076519     8  1482  1500  1503
  1500  C     59.713078   65.838628   64.105888     1  1499  1501  1504  1505
  1501  C     59.053857   65.814425   65.453223     2  1500  1502  1515
  1502  O     57.988578   65.204703   65.565867    13  1501
  1503  H     61.677534   66.169520   64.870236    18  1499
  1504  H     59.130811   66.431268   63.375661    17  1500
  1505  C     59.822426   64.337045   63.708642     1  1500  1506  1507  1508
  1506  C     60.342316   63.499240   64.907280     1  1505  1509  1510  1511
  1507  C     58.501466   63.756332   63.236460     1  1505  1512  1513  1514
  1508  H     60.631080   64.296330   62.940717    17  1505
  1509  H     59.722753   63.649182   65.811504    17  1506
  1510  H     61.405939   63.693035   65.112711    17  1506
  1511  H     60.179991   62.434387   64.600574    17  1506
  1512  H     57.804278   64.611458   63.055888    17  1507
  1513  H     58.101296   63.104063   64.054311    17  1507
  1514  H     58.653558   63.148416   62.329022    17  1507
  1515  N     59.698531   66.454485   66.442725     8  1501  1516  1519
  1516  C     59.180653   66.515923   67.823866     1  1515  1517  1520  1521
  1517  C     57.787428   67.132012   67.735408     2  1516  1518  1526
  1518  O     57.572767   68.314135   67.858580    13  1517
  1519  H     60.566164   66.891837   66.168390    18  1515
  1520  H     59.099956   65.465076   68.158911    17  1516
  1521  C     60.071584   67.361274   68.725694     1  1516  1522  1523  1524
  1522  S     60.068425   66.565989   70.367745    16  1521  1525
  1523  H     59.711702   68.410526   68.783168    17  1521
  1524  H     61.096053   67.445242   68.284010    17  1521
  1525  H     61.095658   67.265383   70.857785    24  1522
  1526  N     56.891599   66.188848   67.493924     8  1517  1527  1530
  1527  C     55.454793   66.419438   67.285610     1  1526  1528  1531  1532
  1528  C     54.563243   65.798646   68.310396     2  1527  1529  1542
  1529  O     53.342933   65.731070   68.285494    13  1528
  1530  H     57.220358   65.236573   67.430406    18  1526
  1531  H     55.318221   67.511135   67.215160    17  1527
  1532  C     55.162607   65.826165   65.875786     1  1527  1533  1534  1535
  1533  C     53.675128   65.736867   65.577288     1  1532  1536  1537  1538
  1534  C     55.826596   66.746833   64.812386     1  1532  1539  1540  1541
  1535  H     55.690762   64.855357   65.826404    17  1532
  1536  H     53.245113   64.871668   66.145892    17  1533
  1537  H     53.452783   65.626420   64.487641    17  1533
  1538  H     53.182470   66.670470   65.929915    17  1533
  1539  H     56.118879   66.099170   63.964302    17  1534
  1540  H     56.704815   67.228418   65.278509    17  1534
  1541  H     55.064894   67.462916   64.461887    17  1534
  1542  N     55.252238   65.275010   69.348866     8  1528  1543  1546
  1543  C     54.645510   64.605017   70.475342     1  1542  1544  1547  1548
  1544  C     55.657439   63.810162   71.287563     2  1543  1545  1559
  1545  O     55.977922   62.654995   71.036067    13  1544
  1546  H     56.253340   65.389883   69.293975    18  1542
  1547  H     54.156371   65.312005   71.161884    17  1543
  1548  C     53.672579   63.521775   69.930571     1  1543  1549  1553  1554
  1549  C     54.285640   62.863322   68.683673     1  1548  1550  1555  1556
  1550  C     53.561848   61.562664   68.373477     2  1549  1551  1552
  1551  O     52.513868   61.271667   68.919755    13  1550
  1552  N     54.211269   60.831797   67.475284     8  1550  1557  1558
  1553  H     52.707418   63.987167   69.651402    17  1548
  1554  H     53.572801   62.768563   70.724375    17  1548
  1555  H     55.357726   62.621501   68.823187    17  1549
  1556  H     54.136636   63.495055   67.775508    17  1549
  1557  H     53.824621   59.943356   67.185645    18  1552
  1558  H     55.091259   61.194084   67.099463    18  1552
  1559  N     56.136781   64.532444   72.301227     8  1544  1560  1563
  1560  C     57.129709   63.892630   73.177205     1  1559  1561  1564  1565
  1561  C     57.040767   64.490538   74.559307     2  1560  1562  1581
  1562  O     57.479392   65.593640   74.781740    13  1561
  1563  H     55.810992   65.497092   72.458037    18  1559
  1564  H     56.936900   62.811337   73.204691    17  1560
  1565  C     58.566570   64.131568   72.668450     1  1560  1566  1570  1571
  1566  C     58.837019   63.384056   71.343412     1  1565  1567  1572  1573
  1567  C     60.317793   62.986461   71.203648     1  1566  1568  1574  1575
  1568  C     60.442417   61.961483   70.064678     1  1567  1569  1576  1577
  1569  N+    60.775817   60.607241   70.625124     9  1568  1578  1579  1580
  1570  H     59.292812   63.803850   73.453821    17  1565
  1571  H     58.699781   65.213712   72.516578    17  1565
  1572  H     58.479079   63.964066   70.465244    17  1566
  1573  H     58.242147   62.441969   71.384326    17  1566
  1574  H     60.655178   62.535938   72.166562    17  1567
  1575  H     60.909708   63.872558   70.926813    17  1567
  1576  H     61.265181   62.321330   69.397845    17  1568
  1577  H     59.495873   61.923392   69.499085    17  1568
  1578  H     61.373729   60.688235   71.439021    19  1569
  1579  H     61.251165   60.066901   69.892101    19  1569
  1580  H     59.901144   60.149859   70.865559    19  1569
  1581  N     56.448238   63.695607   75.452923     8  1561  1582  1585
  1582  C     56.281565   64.126324   76.830024     1  1581  1583  1586  1587
  1583  C     55.925130   62.941094   77.709918     2  1582  1584  1588
  1584  O     56.702905   62.290121   78.369853    13  1583
  1585  H     56.130690   62.786852   75.096992    18  1581
  1586  H     57.261715   64.513518   77.194433    17  1582
  1587  H     55.526119   64.925578   76.936557    17  1582
  1588  N     54.601152   62.716060   77.645331     8  1583  1589  1592
  1589  C     53.952958   61.642545   78.378503     1  1588  1590  1593  1594
  1590  C     53.185626   60.746123   77.438804     2  1589  1591  1603
  1591  O     52.892725   61.045526   76.295934    13  1590
  1592  H     54.035858   63.322646   77.060789    18  1588
  1593  H     54.729030   61.005940   78.868756    17  1589
  1594  C     52.966346   62.238621   79.402348     1  1589  1595  1599  1600
  1595  C     53.110582   61.515942   80.761147     1  1594  1596  1601  1602
  1596  C     54.313741   62.123025   81.453003     3  1595  1597  1598
  1597  O-    55.153545   62.652050   80.699159    14  1596
  1598  O-    54.377924   62.050545   82.696097    14  1596
  1599  H     51.928181   62.103729   79.017718    17  1594
  1600  H     53.136430   63.319970   79.547977    17  1594
  1601  H     53.288059   60.439037   80.589481    17  1595
  1602  H     52.225903   61.727715   81.391575    17  1595
  1603  N     52.850287   59.577081   77.981931     8  1590  1604  1607
  1604  C     52.111025   58.554209   77.278022     1  1603  1605  1608  1609
  1605  C     52.731114   58.135704   75.950286     2  1604  1606  1625
  1606  O     52.175894   58.310024   74.881370    13  1605
  1607  H     53.139256   59.412719   78.944870    18  1603
  1608  H     52.013314   57.613316   77.866323    17  1604
  1609  C     50.689632   59.067667   76.952658     1  1604  1610  1614  1615
  1610  C     49.842351   58.979065   78.232075     1  1609  1611  1616  1617
  1611  C     48.534408   58.227254   77.885031     1  1610  1612  1618  1619
  1612  C     47.815790   57.784883   79.186637     1  1611  1613  1620  1621
  1613  N+    46.485308   57.175797   78.857050     9  1612  1622  1623  1624
  1614  H     50.229148   58.396378   76.191573    17  1609
  1615  H     50.737295   60.105334   76.594209    17  1609
  1616  H     49.566743   59.981238   78.593291    17  1610
  1617  H     50.386897   58.443351   79.047155    17  1610
  1618  H     48.764902   57.316121   77.307209    17  1611
  1619  H     47.863683   58.893087   77.319885    17  1611
  1620  H     47.708896   58.690916   79.809419    17  1612
  1621  H     48.402031   57.016739   79.732536    17  1612
  1622  H     45.998128   57.720186   78.151834    19  1613
  1623  H     45.917901   57.192987   79.716454    19  1613
  1624  H     46.578144   56.205486   78.568555    19  1613
  1625  N     53.924105   57.572137   76.117462     8  1605  1626  1629
  1626  C     54.731335   57.072228   75.028227     1  1625  1627  1630  1631
  1627  C     55.424359   58.151630   74.207115     2  1626  1628  1640
  1628  O     55.026418   59.294634   74.158061    13  1627
  1629  H     54.297648   57.485669   77.073466    18  1625
  1630  H     55.541521   56.431101   75.455337    17  1626
  1631  C     53.898539   56.278356   73.995759     1  1626  1632  1636  1637
  1632  C     52.969895   55.270207   74.714763     1  1631  1633  1638  1639
  1633  C     53.803762   54.363137   75.566712     3  1632  1634  1635
  1634  O-    54.634754   53.642292   74.973275    14  1633
  1635  O-    53.591540   54.409753   76.804305    14  1633
  1636  H     54.600975   55.694709   73.374402    17  1631
  1637  H     53.324894   56.997269   73.378675    17  1631
  1638  H     52.481745   54.646587   73.922649    17  1632
  1639  H     52.276105   55.869187   75.331940    17  1632
  1640  N     56.482825   57.616381   73.595235     8  1627  1641  1644
  1641  C     57.363986   58.398633   72.705706     1  1640  1642  1645  1646
  1642  C     56.896572   58.114782   71.285242     2  1641  1643  1654
  1643  O     55.688334   57.925863   71.130951    13  1642
  1644  H     56.718700   56.622380   73.718251    18  1640
  1645  H     57.200146   59.454259   72.962525    17  1641
  1646  C     58.778509   57.883281   72.929707     1  1641  1647  1650  1651
  1647  C     59.131635   57.987647   74.406126     2  1646  1648  1649
  1648  O     58.351992   57.732495   75.324153    13  1647
  1649  N     60.404487   58.388949   74.641173     8  1647  1652  1653
  1650  H     59.546982   58.453269   72.346459    17  1646
  1651  H     58.804063   56.803709   72.669917    17  1646
  1652  H     60.939856   58.567238   73.777582    18  1649
  1653  H     60.635703   58.449913   75.642710    18  1649
  1654  N     57.840249   58.094613   70.357236     8  1642  1655  1658
  1655  C     57.617617   57.818379   68.935698     1  1654  1656  1659  1660
  1656  C     57.261208   59.079725   68.157610     2  1655  1657  1678
  1657  O     56.462563   59.889668   68.573160    13  1656
  1658  H     58.816866   58.288826   70.623916    18  1654
  1659  H     58.605231   57.466205   68.535218    17  1655
  1660  C     56.589378   56.723481   68.689118     1  1655  1661  1667  1668
  1661  C     57.171803   55.360461   69.162458     1  1660  1662  1669  1670
  1662  C     56.518128   54.959320   70.485162     1  1661  1663  1671  1672
  1663  N     57.099538   53.691209   70.915529    10  1662  1664  1673
  1664  C+    56.361920   52.569210   71.048100     5  1663  1665  1666
  1665  N     56.991438   51.445183   71.467713    10  1664  1674  1675
  1666  N     55.052326   52.492065   70.795490    10  1664  1676  1677
  1667  H     56.439238   56.650742   67.580072    17  1660
  1668  H     55.605678   56.917516   69.144904    17  1660
  1669  H     58.253875   55.522005   69.349448    17  1661
  1670  H     56.986296   54.630359   68.352574    17  1661
  1671  H     55.424190   54.880636   70.337944    17  1662
  1672  H     56.743843   55.729366   71.254924    17  1662
  1673  H     58.110107   53.713740   71.113195    20  1663
  1674  H     58.000624   51.521868   71.651871    20  1665
  1675  H     56.509550   50.563576   71.600614    20  1665
  1676  H     54.472627   53.260600   70.475602    20  1666
  1677  H     54.591690   51.582998   70.925101    20  1666
  1678  N     57.961727   59.097891   67.013420     8  1656  1679  1682
  1679  C     57.795890   60.211843   66.112462     1  1678  1680  1683  1684
  1680  C     58.992359   60.482900   65.205608     2  1679  1681  1685
  1681  O     58.763310   60.777950   64.049147    13  1680
  1682  H     58.593955   58.321623   66.817831    18  1678
  1683  H     56.870514   60.157662   65.500638    17  1679
  1684  H     57.720060   61.146125   66.729613    17  1679
  1685  N     60.159818   60.373115   65.841276     8  1680  1686  1689
  1686  C     61.464443   60.641542   65.293194     1  1685  1687  1690  1691
  1687  C     61.541952   60.740017   63.780329     2  1686  1688  1709
  1688  O     60.996203   59.954721   63.044668    13  1687
  1689  H     60.080725   60.120087   66.836209    18  1685
  1690  H     61.731867   61.670607   65.659251    17  1686
  1691  C     62.582282   59.723465   65.857341     1  1686  1692  1701  1702
  1692  C     63.793489   60.634947   65.921206     6  1691  1693  1694
  1693  C     64.526787   61.049222   64.884491     6  1692  1695  1703
  1694  C     64.332409   61.236172   66.991422     4  1692  1696  1697
  1695  N     65.512609   61.896659   65.252260    11  1693  1696  1704
  1696  C     65.365028   61.995294   66.590790     4  1694  1695  1698
  1697  C     64.009824   61.204704   68.306922     4  1694  1699  1705
  1698  C     66.089097   62.726490   67.448885     4  1696  1700  1706
  1699  C     64.713612   61.925879   69.202153     4  1697  1700  1707
  1700  C     65.730022   62.668019   68.755333     4  1698  1699  1708
  1701  H     62.762679   58.854754   65.210198    17  1691
  1702  H     62.362261   59.412589   66.887269    17  1691
  1703  H     64.402464   60.799523   63.811940    17  1693
  1704  H     66.208658   62.372270   64.643039    21  1695
  1705  H     63.160239   60.578556   68.632355    17  1697
  1706  H     66.921278   63.338994   67.106545    17  1698
  1707  H     64.447695   61.898094   70.263773    17  1699
  1708  H     66.311732   63.273820   69.445474    17  1700
  1709  N     62.295978   61.814163   63.447983     8  1687  1710  1713
  1710  C     62.566232   62.260094   62.105021     1  1709  1711  1714  1715
  1711  C     61.333184   62.485621   61.239186     2  1710  1712  1731
  1712  O     60.339242   61.791252   61.236168    13  1711
  1713  H     62.716923   62.345822   64.224019    18  1709
  1714  H     63.045367   63.272402   62.151617    17  1710
  1715  C     63.411506   61.235226   61.323442     1  1710  1716  1720  1721
  1716  C     64.720699   61.932670   60.941063     1  1715  1717  1722  1723
  1717  C     64.493142   62.807789   59.682310     1  1716  1718  1724  1725
  1718  C     65.265445   62.167075   58.517661     1  1717  1719  1726  1727
  1719  N+    65.456772   63.150896   57.399936     9  1718  1728  1729  1730
  1720  H     62.865728   60.927120   60.419957    17  1715
  1721  H     63.585584   60.379275   62.024744    17  1715
  1722  H     65.458980   61.139377   60.708005    17  1716
  1723  H     65.022669   62.553801   61.810678    17  1716
  1724  H     64.809357   63.849430   59.872484    17  1717
  1725  H     63.414952   62.810069   59.411102    17  1717
  1726  H     64.678890   61.301044   58.144343    17  1718
  1727  H     66.256943   61.859426   58.918960    17  1718
  1728  H     64.683245   63.811093   57.451139    19  1719
  1729  H     65.366170   62.646315   56.511295    19  1719
  1730  H     66.342981   63.645422   57.465659    19  1719
  1731  N     61.478282   63.576776   60.453253     8  1711  1732  1735
  1732  C     60.387876   63.948635   59.530004     1  1731  1733  1736  1737
  1733  C     60.825565   65.216067   58.834077     2  1732  1734  1748
  1734  O     60.829292   66.248084   59.506644    13  1733
  1735  H     62.344684   64.133472   60.519618    18  1731
  1736  H     60.160509   63.149971   58.814884    17  1732
  1737  C     59.106693   64.323237   60.284415     1  1732  1738  1742  1743
  1738  C     58.204287   65.148050   59.328044     1  1737  1739  1744  1745
  1739  C     56.890119   65.279673   60.085255     2  1738  1740  1741
  1740  O     55.865452   64.704860   59.762961    13  1739
  1741  N     56.988563   66.103282   61.155410     8  1739  1746  1747
  1742  H     59.302878   64.867471   61.219586    17  1737
  1743  H     58.545812   63.371506   60.463078    17  1737
  1744  H     58.013139   64.550867   58.426875    17  1738
  1745  H     58.592760   66.166875   59.185102    17  1738
  1746  H     57.929122   66.507216   61.283383    18  1741
  1747  H     56.109404   66.196830   61.684840    18  1741
  1748  N     61.198535   65.118119   57.575354     8  1733  1749  1752
  1749  C     61.685914   66.355478   56.934889     1  1748  1750  1753  1754
  1750  C     60.971245   66.744616   55.690992     2  1749  1751  1772
  1751  O     60.478718   67.857174   55.570610    13  1750
  1752  H     61.206419   64.274403   57.027327    18  1748
  1753  H     61.604926   67.223838   57.642046    17  1749
  1754  C     63.199216   66.127142   56.754763     1  1749  1755  1764  1765
  1755  C     63.549388   66.679772   55.408534     6  1754  1756  1757
  1756  C     63.755657   67.979295   55.183044     6  1755  1758  1766
  1757  C     63.677718   65.911180   54.325830     4  1755  1759  1760
  1758  N     64.025734   68.065922   53.882798    11  1756  1759  1767
  1759  C     63.973146   66.802626   53.371053     4  1757  1758  1761
  1760  C     63.560655   64.593295   54.142249     4  1757  1762  1768
  1761  C     64.154688   66.289614   52.120261     4  1759  1763  1769
  1762  C     63.745015   64.087678   52.921860     4  1760  1763  1770
  1763  C     64.036402   64.955058   51.914016     4  1761  1762  1771
  1764  H     63.400100   65.040076   56.765238    17  1754
  1765  H     63.745383   66.655314   57.564636    17  1754
  1766  H     63.691726   68.736804   55.957777    17  1756
  1767  H     64.238593   68.940320   53.358995    21  1758
  1768  H     63.322029   63.923582   54.966773    17  1760
  1769  H     64.390959   66.986036   51.314291    17  1761
  1770  H     63.667668   63.009354   52.709263    17  1762
  1771  H     64.163824   64.513758   50.929398    17  1763
  1772  N     60.864759   65.825465   54.729596     8  1750  1773  1776
  1773  C     60.142332   66.041727   53.483305     1  1772  1774  1777  1778
  1774  C     60.572188   67.213622   52.668281     2  1773  1775  1788
  1775  O     61.252325   68.161823   53.043508    13  1774
  1776  H     61.308323   64.929995   54.922835    18  1772
  1777  H     60.219356   65.124950   52.842373    17  1773
  1778  C     58.649905   66.233383   53.878870     1  1773  1779  1780  1781
  1779  C     57.997496   67.394598   53.119181     1  1778  1782  1783  1784
  1780  C     57.863465   64.933680   53.656367     1  1778  1785  1786  1787
  1781  H     58.633486   66.518300   54.958754    17  1778
  1782  H     57.910024   67.205418   52.040221    17  1779
  1783  H     58.559555   68.342896   53.323691    17  1779
  1784  H     56.964491   67.562617   53.522136    17  1779
  1785  H     58.506590   64.032275   53.747693    17  1780
  1786  H     57.456688   64.971707   52.624844    17  1780
  1787  H     57.035433   64.923885   54.401168    17  1780
  1788  N     60.122517   67.126515   51.420210     8  1774  1789  1792
  1789  C     60.380776   68.156296   50.396184     1  1788  1790  1793  1794
  1790  C     61.829045   68.402133   50.124061     2  1789  1791  1803
  1791  O     62.531040   69.111251   50.830474    13  1790
  1792  H     59.554538   66.325045   51.109387    18  1788
  1793  H     59.862343   67.785069   49.480539    17  1789
  1794  C     59.686640   69.483362   50.795940     1  1789  1795  1799  1800
  1795  C     58.867481   70.029322   49.607039     1  1794  1796  1801  1802
  1796  C     57.416046   69.959134   49.996855     3  1795  1797  1798
  1797  O-    56.905128   70.998874   50.466481    14  1796
  1798  O-    56.804104   68.880171   49.825365    14  1796
  1799  H     60.438220   70.213937   51.141790    17  1794
  1800  H     58.984389   69.267323   51.625779    17  1794
  1801  H     59.008977   69.339535   48.753563    17  1795
  1802  H     59.150121   71.095491   49.451666    17  1795
  1803  N     62.304146   67.782987   49.041419     8  1790  1804  1807
  1804  C     63.681431   67.891328   48.617015     1  1803  1805  1808  1809
  1805  C     64.216193   66.666544   47.886452     2  1804  1806  1810
  1806  O     65.029890   65.931375   48.396291    13  1805
  1807  H     61.643286   67.216157   48.516307    18  1803
  1808  H     63.809361   68.736585   47.903600    17  1804
  1809  H     64.381255   68.057735   49.475798    17  1804
  1810  N     63.718384   66.484545   46.655973     8  1805  1811  1814
  1811  C     64.081155   65.404982   45.768057     1  1810  1812  1815  1816
  1812  C     63.809315   64.011791   46.298568     2  1811  1813  1822
  1813  O     64.692957   63.178681   46.241132    13  1812
  1814  H     63.034985   67.193776   46.361062    18  1810
  1815  H     63.474941   65.511541   44.832839    17  1811
  1816  C     65.595841   65.500954   45.450261     1  1811  1817  1820  1821
  1817  C     65.852472   66.847208   44.813914     3  1816  1818  1819
  1818  O-    66.244282   66.870712   43.635320    14  1817
  1819  O-    65.634423   67.821438   45.572161    14  1817
  1820  H     65.898549   64.742669   44.709998    17  1816
  1821  H     66.184059   65.507022   46.392752    17  1816
  1822  N     62.578184   63.926202   46.776908     8  1812  1823  1826
  1823  C     61.983624   62.720975   47.374260     1  1822  1824  1827  1828
  1824  C     62.054643   62.884574   48.874983     2  1823  1825  1844
  1825  O     62.696864   63.835649   49.322760    13  1824
  1826  H     61.968151   64.757269   46.765205    18  1822
  1827  H     60.884104   62.705981   47.153524    17  1823
  1828  C     62.657610   61.435771   46.919004     1  1823  1829  1833  1834
  1829  C     62.516699   61.348120   45.372857     1  1828  1830  1835  1836
  1830  C     63.807089   60.709268   44.851119     1  1829  1831  1837  1838
  1831  C     64.256311   61.557694   43.627469     1  1830  1832  1839  1840
  1832  N+    63.856597   60.916026   42.335478     9  1831  1841  1842  1843
  1833  H     62.098241   60.562076   47.344821    17  1828
  1834  H     63.713108   61.359447   47.223766    17  1828
  1835  H     62.365737   62.376241   45.009879    17  1829
  1836  H     61.657915   60.694187   45.116451    17  1829
  1837  H     63.632895   59.656314   44.567268    17  1830
  1838  H     64.583817   60.751804   45.640303    17  1830
  1839  H     65.351838   61.652169   43.713001    17  1831
  1840  H     63.797542   62.569537   43.725814    17  1831
  1841  H     62.866475   61.129225   42.175146    19  1832
  1842  H     64.031107   59.920308   42.354118    19  1832
  1843  H     64.393329   61.327997   41.560086    19  1832
  1844  N     61.398620   61.978396   49.593136     8  1824  1845  1848
  1845  C     61.451624   62.149767   51.056793     1  1844  1846  1849  1850
  1846  C     61.481677   60.878324   51.835432     2  1845  1847  1863
  1847  O     61.137268   59.807696   51.392458    13  1846
  1848  H     60.880565   61.209894   49.145171    18  1844
  1849  H     62.415946   62.673132   51.290959    17  1845
  1850  C     60.315238   63.079703   51.545869     1  1845  1851  1854  1855
  1851  C     58.951633   62.683513   50.948076     1  1850  1852  1853  1856
  1852  C     58.913913   63.170008   49.477677     1  1851  1857  1858  1859
  1853  C     58.729753   61.165240   51.007603     1  1851  1860  1861  1862
  1854  H     60.555033   64.124566   51.221097    17  1850
  1855  H     60.314313   63.022630   52.642374    17  1850
  1856  H     58.178647   63.182063   51.565968    17  1851
  1857  H     58.091776   63.873862   49.291941    17  1852
  1858  H     58.807146   62.285340   48.820961    17  1852
  1859  H     59.867174   63.719925   49.270293    17  1852
  1860  H     59.352619   60.685836   50.209511    17  1853
  1861  H     57.667997   60.888363   50.903030    17  1853
  1862  H     59.102181   60.763427   51.981403    17  1853
  1863  N     61.957467   61.116861   53.079881     8  1846  1864  1867
  1864  C     62.081264   59.980948   53.988210     1  1863  1865  1868  1869
  1865  C     62.365827   60.404071   55.418079     2  1864  1866  1884
  1866  O     63.177831   61.255581   55.714561    13  1865
  1867  H     62.212502   62.050266   53.366778    18  1863
  1868  H     61.069574   59.502840   54.020835    17  1864
  1869  C     63.183139   59.051227   53.472400     1  1864  1870  1877  1878
  1870  C     63.863059   59.605379   52.238851     4  1869  1871  1872
  1871  C     63.776125   58.963571   51.001759     4  1870  1873  1879
  1872  C     64.597861   60.785572   52.269590     4  1870  1874  1880
  1873  C     64.405345   59.484505   49.859766     4  1871  1875  1881
  1874  C     65.223262   61.307182   51.126260     4  1872  1875  1882
  1875  C     65.131726   60.655866   49.913682     4  1873  1874  1876
  1876  O     65.732483   61.134678   48.789605    15  1875  1883
  1877  H     62.721100   58.067492   53.266543    17  1869
  1878  H     63.942833   58.914808   54.284358    17  1869
  1879  H     63.220280   58.037762   50.857066    17  1871
  1880  H     64.718998   61.371975   53.189833    17  1872
  1881  H     64.329616   58.956823   48.890902    17  1873
  1882  H     65.791301   62.249264   51.198806    17  1874
  1883  H     65.900209   60.399252   48.173178    23  1876
  1884  N     61.585933   59.697513   56.259400     8  1865  1885  1888
  1885  C     61.724121   59.974786   57.690146     1  1884  1886  1889  1890
  1886  C     61.795911   58.687048   58.481973     2  1885  1887  1903
  1887  O     62.186340   57.675132   57.899395    13  1886
  1888  H     60.937514   59.012053   55.891047    18  1884
  1889  H     62.705614   60.490532   57.852651    17  1885
  1890  C     60.560134   60.844223   58.155727     1  1885  1891  1894  1895
  1891  C     59.281061   60.027525   58.442493     1  1890  1892  1893  1896
  1892  C     58.100732   61.017343   58.444937     1  1891  1897  1898  1899
  1893  C     58.994053   59.009412   57.313114     1  1891  1900  1901  1902
  1894  H     60.294184   61.577170   57.353921    17  1890
  1895  H     60.896231   61.388047   59.071466    17  1890
  1896  H     59.305696   59.550575   59.432963    17  1891
  1897  H     58.132229   61.565578   59.412239    17  1892
  1898  H     57.119071   60.479445   58.385535    17  1892
  1899  H     58.194878   61.760159   57.634284    17  1892
  1900  H     59.802707   58.264680   57.231211    17  1893
  1901  H     58.891245   59.607845   56.375353    17  1893
  1902  H     58.061549   58.477586   57.562949    17  1893
  1903  N     61.429366   58.765888   59.754625     8  1886  1904  1907
  1904  C     61.434468   57.645844   60.701584     1  1903  1905  1908  1909
  1905  C     62.833574   57.461528   61.209109     2  1904  1906  1918
  1906  O     63.768006   57.547753   60.409903    13  1905
  1907  H     61.129035   59.677068   60.130600    18  1903
  1908  H     60.778057   57.906038   61.567524    17  1904
  1909  C     60.896234   56.348688   60.087560     1  1904  1910  1914  1915
  1910  C     59.401997   56.547803   59.734923     1  1909  1911  1916  1917
  1911  C     58.959482   55.558491   58.706751     3  1910  1912  1913
  1912  O-    59.828995   55.063230   57.944179    14  1911
  1913  O-    57.753081   55.262269   58.646965    14  1911
  1914  H     60.954811   55.570140   60.891579    17  1909
  1915  H     61.485258   55.988123   59.234025    17  1909
  1916  H     59.293805   57.591689   59.359600    17  1910
  1917  H     58.770988   56.395447   60.648249    17  1910
  1918  N     62.948531   57.210920   62.533725     8  1905  1919  1922
  1919  C     64.300718   57.012347   63.086856     1  1918  1920  1923  1924
  1920  C     64.348719   55.810174   63.984531     2  1919  1921  1937
  1921  O     64.990328   54.797403   63.713555    13  1920
  1922  H     62.108095   57.153806   63.105957    18  1918
  1923  H     64.971775   56.910253   62.223986    17  1919
  1924  C     64.778956   58.276085   63.858556     1  1919  1925  1928  1929
  1925  C     66.064188   58.817105   63.183969     1  1924  1926  1927  1930
  1926  C     66.865573   59.735502   64.119078     1  1925  1931  1932  1933
  1927  C     67.020735   57.681840   62.771571     1  1925  1934  1935  1936
  1928  H     64.983850   57.980331   64.896481    17  1924
  1929  H     63.962648   59.007096   63.765731    17  1924
  1930  H     65.720491   59.351522   62.266554    17  1925
  1931  H     66.492568   59.656635   65.155189    17  1926
  1932  H     66.770299   60.768971   63.714978    17  1926
  1933  H     67.956159   59.486365   64.098910    17  1926
  1934  H     66.677164   56.714542   63.205739    17  1927
  1935  H     68.053836   57.849323   63.111697    17  1927
  1936  H     67.012467   57.589633   61.654626    17  1927
  1937  N     63.619973   56.001432   65.076229     8  1920  1938  1941
  1938  C     63.480335   54.991076   66.141121     1  1937  1939  1942  1943
  1939  C     62.330122   55.393801   67.023073     2  1938  1940  1951
  1940  O     62.355160   56.450434   67.613479    13  1939
  1941  H     63.138480   56.900092   65.161490    18  1937
  1942  H     63.211481   54.023213   65.646860    17  1938
  1943  C     64.795994   54.836177   66.894605     1  1938  1944  1945  1946
  1944  O     64.608671   53.750396   67.786758    15  1943  1947
  1945  C     65.163876   56.095901   67.708012     1  1943  1948  1949  1950
  1946  H     65.570298   54.495279   66.161340    17  1943
  1947  H     63.697193   53.492364   67.735374    23  1944
  1948  H     65.164646   56.984303   67.044836    17  1945
  1949  H     66.197437   55.943841   68.090826    17  1945
  1950  H     64.472598   56.259188   68.556531    17  1945
  1951  N     61.314842   54.537989   67.107497     8  1939  1952  1955
  1952  C     60.137994   54.843711   67.941531     1  1951  1953  1956  1957
  1953  C     59.708454   53.700883   68.810590     2  1952  1954  1962
  1954  O     59.666491   53.782520   70.034008    13  1953
  1955  H     61.307470   53.652645   66.615062    18  1951
  1956  H     60.318411   55.703546   68.603183    17  1952
  1957  C     58.982608   55.120290   66.943061     1  1952  1958  1959  1960
  1958  S     59.598817   55.305752   65.253513    16  1957  1961
  1959  H     58.402566   56.017331   67.232537    17  1957
  1960  H     58.258372   54.274798   66.989878    17  1957
  1961  H     60.065374   54.074736   65.069784    24  1958
  1962  N     59.386972   52.620190   68.102450     8  1953  1963  1966
  1963  C     58.946425   51.393073   68.736494     1  1962  1964  1967  1968
  1964  C     58.170689   50.508005   67.778980     2  1963  1965  1969
  1965  O     57.087096   50.006002   68.064857    13  1964
  1966  H     59.461607   52.689329   67.097931    18  1962
  1967  H     59.810200   50.828891   69.142602    17  1963
  1968  H     58.273943   51.680827   69.581585    17  1963
  1969  N     58.797924   50.351472   66.618765     8  1964  1970  1973
  1970  C     58.291820   49.548361   65.498615     1  1969  1971  1974  1975
  1971  C     59.295565   48.473065   65.172514     2  1970  1972  1981
  1972  O     59.186886   47.834684   64.144553    13  1971
  1973  H     59.698019   50.816737   66.478031    18  1969
  1974  H     57.359854   49.023101   65.746390    17  1970
  1975  C     58.168409   50.414920   64.220275     1  1970  1976  1979  1980
  1976  C     56.845111   51.155519   64.236642     3  1975  1977  1978
  1977  O-    55.975426   50.808716   65.055819    14  1976
  1978  O-    56.736802   52.080012   63.391243    14  1976
  1979  H     58.220228   49.755491   63.323839    17  1975
  1980  H     58.941491   51.195190   64.239551    17  1975
  1981  N     60.230251   48.368070   66.126400     8  1971  1982  1985
  1982  C     61.278214   47.353680   65.919063     1  1981  1983  1986  1987
  1983  C     61.937040   47.654997   64.578845     2  1982  1984  1998
  1984  O     61.933215   46.860279   63.666885    13  1983
  1985  H     60.201247   48.965407   66.939518    18  1981
  1986  H     62.036063   47.407514   66.715595    17  1982
  1987  C     60.647391   45.967422   65.911181     1  1982  1988  1992  1993
  1988  C     61.196375   45.089750   67.072712     1  1987  1989  1994  1995
  1989  C     60.484519   45.563022   68.301776     2  1988  1990  1991
  1990  O     59.345487   45.173083   68.532759    13  1989
  1991  N     61.196159   46.414988   69.077406     8  1989  1996  1997
  1992  H     60.847264   45.394058   64.983821    17  1987
  1993  H     59.536097   46.039007   66.024546    17  1987
  1994  H     62.284452   45.286026   67.139396    17  1988
  1995  H     60.983992   44.016520   66.884130    17  1988
  1996  H     62.137728   46.615956   68.708890    18  1991
  1997  H     60.684004   46.730464   69.915049    18  1991
  1998  N     62.484863   48.875531   64.580891     8  1983  1999  2002
  1999  C     63.196661   49.473434   63.468274     1  1998  2000  2003  2004
  2000  C     62.405820   49.654919   62.208298     2  1999  2001  2014
  2001  O     61.877767   48.705907   61.648790    13  2000
  2002  H     62.385407   49.416320   65.449905    18  1998
  2003  H     63.610343   50.455205   63.810363    17  1999
  2004  C     64.362410   48.501540   63.125392     1  1999  2005  2006  2007
  2005  C     65.063661   49.012416   61.867522     1  2004  2008  2009  2010
  2006  C     65.371676   48.564746   64.277502     1  2004  2011  2012  2013
  2007  H     64.003840   47.458283   63.035345    17  2004
  2008  H     65.081240   50.125256   61.918074    17  2005
  2009  H     64.519223   48.670683   60.963143    17  2005
  2010  H     66.131549   48.681971   61.859523    17  2005
  2011  H     64.864675   48.331664   65.230567    17  2006
  2012  H     65.796342   49.597575   64.369924    17  2006
  2013  H     66.209883   47.834695   64.138973    17  2006
  2014  N     62.312029   50.900535   61.734997     8  2000  2015  2018
  2015  C     61.566183   51.214193   60.502750     1  2014  2016  2019  2020
  2016  C     62.367480   52.185948   59.684192     2  2015  2017  2025
  2017  O     63.015348   53.058076   60.258368    13  2016
  2018  H     62.762703   51.683807   62.226213    18  2014
  2019  H     61.438103   50.314416   59.874816    17  2015
  2020  C     60.224007   51.852481   60.908804     1  2015  2021  2022  2023
  2021  S     60.437152   53.101827   62.214054    16  2020  2024
  2022  H     59.535641   51.062927   61.266669    17  2020
  2023  H     59.730309   52.320956   60.030009    17  2020
  2024  H     59.325163   53.797785   61.983621    24  2021
  2025  N     62.312390   52.024098   58.355029     8  2016  2026  2029
  2026  C     63.089683   52.970467   57.540619     1  2025  2027  2030  2031
  2027  C     62.573211   53.166009   56.148121     2  2026  2028  2049
  2028  O     62.632013   52.232336   55.346012    13  2027
  2029  H     61.747669   51.268585   57.943755    18  2025
  2030  H     63.100917   53.964796   58.044786    17  2026
  2031  C     64.524805   52.419113   57.461796     1  2026  2032  2038  2039
  2032  C     65.580692   53.551295   57.487909     1  2031  2033  2040  2041
  2033  C     66.930909   52.982968   57.003574     1  2032  2034  2042  2043
  2034  N     68.005249   53.928119   57.126292    10  2033  2035  2044
  2035  C+    68.871274   53.958442   58.158357     5  2034  2036  2037
  2036  N     68.815615   53.089069   59.185648    10  2035  2045  2046
  2037  N     69.849754   54.889643   58.184263    10  2035  2047  2048
  2038  H     64.630791   51.879699   56.505110    17  2031
  2039  H     64.656855   51.726653   58.328593    17  2031
  2040  H     65.657105   53.989161   58.507695    17  2032
  2041  H     65.271173   54.351469   56.798715    17  2032
  2042  H     66.828615   52.732487   55.917152    17  2033
  2043  H     67.162970   52.069542   57.602909    17  2033
  2044  H     68.121962   54.620595   56.383236    20  2034
  2045  H     68.118266   52.356490   59.250034    20  2036
  2046  H     69.507692   53.163329   59.940888    20  2036
  2047  H     70.509023   54.924688   58.961601    20  2037
  2048  H     69.940650   55.561767   57.433763    20  2037
  2049  N     62.076693   54.388057   55.880047     8  2027  2050  2053
  2050  C     61.569152   54.618751   54.518729     1  2049  2051  2054  2055
  2051  C     62.612594   55.045712   53.530605     2  2050  2052  2066
  2052  O     63.641924   55.586298   53.934453    13  2051
  2053  H     62.059902   55.109179   56.612035    18  2049
  2054  H     61.184718   53.639890   54.142784    17  2050
  2055  C     60.404511   55.638381   54.549678     1  2050  2056  2060  2061
  2056  C     59.136586   54.922686   55.075933     1  2055  2057  2062  2063
  2057  C     58.525678   54.148579   53.925823     2  2056  2058  2059
  2058  O     57.718062   54.606801   53.144611    13  2057
  2059  N     58.966749   52.874301   53.842450     8  2057  2064  2065
  2060  H     60.200155   55.975127   53.523395    17  2055
  2061  H     60.707785   56.472412   55.207332    17  2055
  2062  H     58.421327   55.651932   55.480740    17  2056
  2063  H     59.464076   54.154928   55.810976    17  2056
  2064  H     58.602866   52.284081   53.089376    18  2059
  2065  H     59.641018   52.514855   54.503031    18  2059
  2066  N     62.369418   54.818742   52.247842     8  2051  2067  2070
  2067  C     63.352089   55.213915   51.225163     1  2066  2068  2071  2072
  2068  C     62.578597   55.507704   49.944787     2  2067  2069  2082
  2069  O     62.836173   55.062462   48.849477    13  2068
  2070  H     61.497146   54.375874   51.929110    18  2066
  2071  H     63.860970   56.135564   51.548959    17  2067
  2072  C     64.322740   54.095169   50.876242     1  2067  2073  2074  2075
  2073  C     65.386302   54.566570   49.847307     1  2072  2076  2077  2078
  2074  C     65.123338   53.592279   52.103870     1  2072  2079  2080  2081
  2075  H     63.795510   53.201034   50.466913    17  2072
  2076  H     66.390248   54.557758   50.311740    17  2073
  2077  H     65.158013   55.602832   49.514721    17  2073
  2078  H     65.394916   53.847611   49.009914    17  2073
  2079  H     65.260621   54.448214   52.791229    17  2074
  2080  H     66.121529   53.234205   51.770370    17  2074
  2081  H     64.607549   52.743227   52.587730    17  2074
  2082  N     61.562930   56.342053   50.244994     8  2068  2083  2086
  2083  C     60.599240   56.834765   49.271832     1  2082  2084  2087  2088
  2084  C     61.215027   57.514602   48.094356     2  2083  2085  2102
  2085  O     62.413358   57.775707   48.006196    13  2084
  2086  H     61.455270   56.649905   51.221518    18  2082
  2087  H     59.975074   55.980896   48.902774    17  2083
  2088  C     59.702562   57.896859   49.963098     1  2083  2089  2095  2096
  2089  C     58.265363   57.512291   49.833055     4  2088  2090  2091
  2090  C     57.421454   58.113504   48.913692     4  2089  2092  2097
  2091  C     57.796832   56.514703   50.679543     4  2089  2093  2098
  2092  C     56.093613   57.746985   48.798985     4  2090  2094  2099
  2093  C     56.470888   56.150889   50.562412     4  2091  2094  2100
  2094  C     55.626678   56.750361   49.637710     4  2092  2093  2101
  2095  H     59.911960   58.871903   49.502888    17  2088
  2096  H     59.961614   57.871304   51.049136    17  2088
  2097  H     57.822097   58.890770   48.264030    17  2090
  2098  H     58.460069   56.035449   51.410607    17  2091
  2099  H     55.398185   58.200322   48.083193    17  2092
  2100  H     56.087143   55.371981   51.218247    17  2093
  2101  H     54.583282   56.453424   49.553751    17  2094
  2102  N     60.339657   57.815341   47.148930     8  2084  2103  2106
  2103  C     60.735548   58.492883   45.901703     1  2102  2104  2107  2108
  2104  C     59.632607   59.500004   45.592421     2  2103  2105  2124
  2105  O     58.878779   59.812845   46.503909    13  2104
  2106  H     59.338324   57.596641   47.240265    18  2102
  2107  H     61.700480   59.004124   46.008440    17  2103
  2108  C     60.663459   57.472530   44.771386     1  2103  2109  2113  2114
  2109  C     61.043195   56.050928   45.224772     1  2108  2110  2115  2116
  2110  C     60.612120   55.079177   44.096433     1  2109  2111  2117  2118
  2111  C     60.702909   55.735963   42.708870     1  2110  2112  2119  2120
  2112  N+    60.825955   54.682630   41.635533     9  2111  2121  2122  2123
  2113  H     61.370395   57.816344   43.972806    17  2108
  2114  H     59.642248   57.456359   44.309931    17  2108
  2115  H     60.491640   55.737116   46.132079    17  2109
  2116  H     62.135324   56.004610   45.356233    17  2109
  2117  H     59.564832   54.749054   44.271953    17  2110
  2118  H     61.333668   54.246087   44.108649    17  2110
  2119  H     61.546996   56.442476   42.672305    17  2111
  2120  H     59.749924   56.285890   42.510188    17  2111
  2121  H     60.990839   55.134627   40.744869    19  2112
  2122  H     59.932279   54.174032   41.616628    19  2112
  2123  H     61.587237   54.039416   41.823202    19  2112
  2124  N     59.611133   59.934359   44.340160     8  2104  2125  2128
  2125  C     58.575043   60.883181   43.947193     1  2124  2126  2129  2130
  2126  C     58.611306   62.194939   44.668248     2  2125  2127  2146
  2127  O     59.244385   62.324733   45.687545    13  2126
  2128  H     60.328309   59.583403   43.723630    18  2124
  2129  H     58.626517   61.132700   42.860291    17  2125
  2130  C     57.196442   60.190664   44.151561     1  2125  2131  2135  2136
  2131  C     57.188535   58.899870   43.297974     1  2130  2132  2137  2138
  2132  C     57.862246   59.112116   41.929795     1  2131  2133  2139  2140
  2133  C     57.270612   58.058609   40.969587     1  2132  2134  2141  2142
  2134  N+    57.930379   58.181915   39.634402     9  2133  2143  2144  2145
  2135  H     56.450443   60.906334   43.781616    17  2130
  2136  H     57.040054   59.909253   45.200720    17  2130
  2137  H     56.146492   58.585333   43.096096    17  2131
  2138  H     57.763477   58.113092   43.828298    17  2131
  2139  H     58.943413   58.908358   42.024100    17  2132
  2140  H     57.690160   60.136341   41.532719    17  2132
  2141  H     56.184175   58.309454   40.857014    17  2133
  2142  H     57.449242   57.074218   41.427038    17  2133
  2143  H     57.691538   59.088294   39.227468    19  2134
  2144  H     57.606999   57.452143   39.000862    19  2134
  2145  H     58.949465   58.147373   39.740759    19  2134
  2146  N     57.910104   63.177528   44.109644     8  2126  2147  2150
  2147  C     57.905956   64.498107   44.747173     1  2146  2148  2151  2152
  2148  C     57.057160   65.520786   44.063948     3  2147  2149  2168
  2149  O-    57.298080   66.715011   44.354269    14  2148
  2150  H     57.413448   62.945635   43.261871    18  2146
  2151  H     57.486066   64.353709   45.770783    17  2147
  2152  C     59.383949   64.978819   44.812093     1  2147  2153  2157  2158
  2153  C     60.124791   64.640384   43.489937     1  2152  2154  2159  2160
  2154  C     59.501291   65.542626   42.405046     1  2153  2155  2161  2162
  2155  C     60.492729   65.597253   41.229473     1  2154  2156  2163  2164
  2156  N+    60.701717   66.994475   40.746903     9  2155  2165  2166  2167
  2157  H     59.903444   64.522249   45.668642    17  2152
  2158  H     59.435954   66.076002   44.924619    17  2152
  2159  H     59.975002   63.589078   43.196531    17  2153
  2160  H     61.187326   64.907707   43.574141    17  2153
  2161  H     59.408707   66.575513   42.809385    17  2154
  2162  H     58.526668   65.119651   42.117578    17  2154
  2163  H     60.065242   64.990882   40.396495    17  2155
  2164  H     61.465921   65.191877   41.593559    17  2155
  2165  H     59.941063   67.246149   40.105986    19  2156
  2166  H     61.611789   67.100955   40.292970    19  2156
  2167  H     60.696168   67.640890   41.537996    19  2156
  2168  O-    56.198991   65.072394   43.276219    14  2148
  2169  C1     2.394000    0.000000    0.466000     1  2170  2174  2184  2185
  2170  C2     1.836000    1.406000    0.246000     1  2169  2171  2189  2190
  2171  C3     0.336000    1.406000   -0.047000     1  2170  2172  2191  2192
  2172  C4    -0.264000    0.000000   -0.051000     1  2171  2173  2193  2194
  2173  C5     0.563000   -0.956000   -0.728000     6  2172  2174  2186
  2174  C6     1.881000   -0.956000   -0.471000     6  2169  2173  2175
  2175  C7     2.874000   -1.461000   -1.424000     6  2174  2176  2195
  2176  C8     3.650000   -2.527000   -1.168000     6  2175  2177  2196
  2177  C9     4.643000   -3.032000   -2.121000     6  2176  2178  2187
  2178  C10    5.961000   -3.032000   -1.864000     6  2177  2179  2197
  2179  C11    6.953000   -3.537000   -2.818000     6  2178  2180  2198
  2180  C12    7.730000   -4.602000   -2.561000     6  2179  2181  2199
  2181  C13    8.722000   -5.107000   -3.514000     6  2180  2182  2188
  2182  C14   10.040000   -5.107000   -3.257000     6  2181  2183  2200
  2183  C15   11.061000   -5.623000   -4.231000     1  2182  2201  2202  2218
  2184  C16    3.919000   -0.021000    0.565000     1  2169  2203  2204  2205
  2185  C17    2.268000   -0.464000    1.918000     1  2169  2206  2207  2208
  2186  C18   -0.017000   -1.471000   -2.014000     1  2173  2209  2210  2211
  2187  C19    4.064000   -3.529000   -3.415000     1  2177  2212  2213  2214
  2188  C20    8.143000   -5.604000   -4.808000     1  2181  2215  2216  2217
  2189  H21    2.383000    1.918000   -0.546000    17  2170
  2190  H22    2.063000    2.048000    1.097000    17  2170
  2191  H31   -0.194000    2.048000    0.657000    17  2171
  2192  H32    0.126000    1.918000   -0.986000    17  2171
  2193  H41   -1.261000    0.008000   -0.491000    17  2172
  2194  H42   -0.466000   -0.336000    0.966000    17  2172
  2195  H7     3.119000   -0.776000   -2.215000    17  2175
  2196  H8     3.405000   -3.212000   -0.377000    17  2176
  2197  H10    6.299000   -3.002000   -0.845000    17  2178
  2198  H11    7.198000   -2.852000   -3.608000    17  2179
  2199  H12    7.485000   -5.287000   -1.770000    17  2180
  2200  H14   10.380000   -5.020000   -2.242000    17  2182
  2201  H15   11.028000   -5.039000   -5.150000    17  2183
  2202  H15   10.887000   -6.681000   -4.427000    17  2183
  2203  H16    4.269000    0.717000    1.285000    17  2184
  2204  H16    4.371000    0.213000   -0.399000    17  2184
  2205  H16    4.270000   -1.000000    0.893000    17  2184
  2206  H17    2.667000    0.288000    2.599000    17  2185
  2207  H17    2.825000   -1.387000    2.077000    17  2185
  2208  H17    1.223000   -0.629000    2.180000    17  2185
  2209  H18    0.664000   -2.190000   -2.469000    17  2186
  2210  H18   -0.153000   -0.650000   -2.717000    17  2186
  2211  H18   -0.960000   -1.983000   -1.819000    17  2186
  2212  H19    4.860000   -3.886000   -4.067000    17  2187
  2213  H19    3.550000   -2.717000   -3.930000    17  2187
  2214  H19    3.389000   -4.364000   -3.225000    17  2187
  2215  H20    8.940000   -5.961000   -5.460000    17  2188
  2216  H20    7.630000   -4.793000   -5.323000    17  2188
  2217  H20    7.469000   -6.439000   -4.618000    17  2188
  2218  O48   12.346000   -5.490000   -3.677000    15  2183  2219
  2219  H51   12.956000   -5.826000   -4.320000    23  2218



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, March 29, 2024 9:15:34 AM GMT (wattos1)