CNRS Nantes University UFIP UFIP
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***    ***

elNémo ID: 20072710092572300

Job options:

ID        	=	 20072710092572300
JOBID     	=	 
USERID    	=	 n.levoin
PRIVAT    	=	 0

NMODES    	=	 10
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 on

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0


Input data for this run:


REMARK   4      COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006
REMARK 888
REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC)
TITLE     prep_3tronq1 - hbond-opt
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1
MODEL        1
ATOM      1  N   LEU A  49      85.146 -42.262 -67.473  1.00  0.00           N1+
ATOM      2  CA  LEU A  49      84.522 -42.470 -66.165  1.00  0.00           C  
ATOM      3  C   LEU A  49      84.959 -41.439 -65.146  1.00  0.00           C  
ATOM      4  O   LEU A  49      85.489 -40.392 -65.447  1.00  0.00           O  
ATOM      5  CB  LEU A  49      84.824 -43.895 -65.590  1.00  0.00           C  
ATOM      6  CG  LEU A  49      84.450 -45.053 -66.542  1.00  0.00           C  
ATOM      7  CD1 LEU A  49      84.527 -46.467 -65.745  1.00  0.00           C  
ATOM      8  CD2 LEU A  49      83.146 -44.821 -67.242  1.00  0.00           C  
ATOM      9  H1  LEU A  49      84.825 -42.971 -68.116  1.00  0.00           H  
ATOM     10  H2  LEU A  49      84.894 -41.350 -67.825  1.00  0.00           H  
ATOM     11  H3  LEU A  49      86.150 -42.321 -67.381  1.00  0.00           H  
ATOM     12  HA  LEU A  49      83.443 -42.381 -66.290  1.00  0.00           H  
ATOM     13  HB3 LEU A  49      84.299 -44.021 -64.643  1.00  0.00           H  
ATOM     14  HB2 LEU A  49      85.881 -43.965 -65.334  1.00  0.00           H  
ATOM     15  HG  LEU A  49      85.219 -45.086 -67.314  1.00  0.00           H  
ATOM     16 HD11 LEU A  49      84.262 -47.280 -66.421  1.00  0.00           H  
ATOM     17 HD12 LEU A  49      85.540 -46.620 -65.372  1.00  0.00           H  
ATOM     18 HD13 LEU A  49      83.831 -46.451 -64.907  1.00  0.00           H  
ATOM     19 HD21 LEU A  49      82.930 -45.664 -67.898  1.00  0.00           H  
ATOM     20 HD22 LEU A  49      82.350 -44.723 -66.504  1.00  0.00           H  
ATOM     21 HD23 LEU A  49      83.208 -43.907 -67.833  1.00  0.00           H  
ATOM     22  N   GLU A  50      84.766 -41.743 -63.912  1.00  0.00           N  
ATOM     23  CA  GLU A  50      84.955 -40.700 -62.866  1.00  0.00           C  
ATOM     24  C   GLU A  50      86.380 -40.294 -62.529  1.00  0.00           C  
ATOM     25  O   GLU A  50      86.488 -39.312 -61.789  1.00  0.00           O  
ATOM     26  CB  GLU A  50      84.127 -41.108 -61.603  1.00  0.00           C  
ATOM     27  CG  GLU A  50      82.604 -40.818 -61.756  1.00  0.00           C  
ATOM     28  CD  GLU A  50      81.604 -41.624 -61.093  1.00  0.00           C  
ATOM     29  OE1 GLU A  50      81.599 -41.646 -59.724  1.00  0.00           O  
ATOM     30  OE2 GLU A  50      81.763 -42.965 -61.334  1.00  0.00           O1-
ATOM     31  H   GLU A  50      84.489 -42.681 -63.660  1.00  0.00           H  
ATOM     32  HA  GLU A  50      84.476 -39.801 -63.255  1.00  0.00           H  
ATOM     33  HB3 GLU A  50      84.511 -40.578 -60.732  1.00  0.00           H  
ATOM     34  HB2 GLU A  50      84.275 -42.169 -61.400  1.00  0.00           H  
ATOM     35  HG3 GLU A  50      82.363 -40.763 -62.818  1.00  0.00           H  
ATOM     36  HG2 GLU A  50      82.421 -39.769 -61.521  1.00  0.00           H  
ATOM     37  N   GLY A  51      87.388 -40.975 -62.998  1.00  0.00           N  
ATOM     38  CA  GLY A  51      88.792 -40.466 -62.890  1.00  0.00           C  
ATOM     39  C   GLY A  51      89.116 -39.249 -63.735  1.00  0.00           C  
ATOM     40  O   GLY A  51      90.141 -38.528 -63.530  1.00  0.00           O  
ATOM     41  H   GLY A  51      87.231 -41.866 -63.446  1.00  0.00           H  
ATOM     42  HA3 GLY A  51      89.486 -41.270 -63.135  1.00  0.00           H  
ATOM     43  HA2 GLY A  51      89.017 -40.249 -61.846  1.00  0.00           H  
ATOM     44  N   LEU A  52      88.206 -38.830 -64.687  1.00  0.00           N  
ATOM     45  CA  LEU A  52      88.147 -37.533 -65.366  1.00  0.00           C  
ATOM     46  C   LEU A  52      87.813 -36.311 -64.402  1.00  0.00           C  
ATOM     47  O   LEU A  52      86.703 -35.681 -64.504  1.00  0.00           O  
ATOM     48  CB  LEU A  52      87.264 -37.495 -66.624  1.00  0.00           C  
ATOM     49  CG  LEU A  52      87.336 -36.201 -67.482  1.00  0.00           C  
ATOM     50  CD1 LEU A  52      88.769 -35.910 -68.104  1.00  0.00           C  
ATOM     51  CD2 LEU A  52      86.187 -36.056 -68.477  1.00  0.00           C  
ATOM     52  H   LEU A  52      87.470 -39.452 -64.990  1.00  0.00           H  
ATOM     53  HA  LEU A  52      89.161 -37.349 -65.722  1.00  0.00           H  
ATOM     54  HB3 LEU A  52      86.228 -37.681 -66.341  1.00  0.00           H  
ATOM     55  HB2 LEU A  52      87.496 -38.355 -67.252  1.00  0.00           H  
ATOM     56  HG  LEU A  52      87.181 -35.392 -66.768  1.00  0.00           H  
ATOM     57 HD11 LEU A  52      88.732 -34.990 -68.687  1.00  0.00           H  
ATOM     58 HD12 LEU A  52      89.499 -35.802 -67.302  1.00  0.00           H  
ATOM     59 HD13 LEU A  52      89.060 -36.738 -68.750  1.00  0.00           H  
ATOM     60 HD21 LEU A  52      86.307 -35.129 -69.038  1.00  0.00           H  
ATOM     61 HD22 LEU A  52      86.193 -36.901 -69.166  1.00  0.00           H  
ATOM     62 HD23 LEU A  52      85.240 -36.034 -67.938  1.00  0.00           H  
ATOM     63  N   HIS A  53      88.742 -36.040 -63.424  1.00  0.00           N  
ATOM     64  CA  HIS A  53      88.572 -35.059 -62.354  1.00  0.00           C  
ATOM     65  C   HIS A  53      88.490 -33.617 -62.869  1.00  0.00           C  
ATOM     66  O   HIS A  53      88.866 -33.328 -63.997  1.00  0.00           O  
ATOM     67  CB  HIS A  53      89.720 -35.158 -61.316  1.00  0.00           C  
ATOM     68  CG  HIS A  53      89.850 -36.373 -60.409  1.00  0.00           C  
ATOM     69  ND1 HIS A  53      90.585 -37.527 -60.595  1.00  0.00           N  
ATOM     70  CD2 HIS A  53      89.164 -36.502 -59.217  1.00  0.00           C  
ATOM     71  CE1 HIS A  53      90.372 -38.331 -59.467  1.00  0.00           C  
ATOM     72  NE2 HIS A  53      89.476 -37.672 -58.750  1.00  0.00           N  
ATOM     73  H   HIS A  53      89.621 -36.537 -63.411  1.00  0.00           H  
ATOM     74  HA  HIS A  53      87.637 -35.284 -61.840  1.00  0.00           H  
ATOM     75  HB3 HIS A  53      89.718 -34.258 -60.701  1.00  0.00           H  
ATOM     76  HB2 HIS A  53      90.670 -34.995 -61.825  1.00  0.00           H  
ATOM     77  HD2 HIS A  53      88.570 -35.752 -58.892  1.00  0.00           H  
ATOM     78  HE1 HIS A  53      90.873 -39.202 -59.366  1.00  0.00           H  
ATOM     79  HE2 HIS A  53      89.012 -38.033 -57.844  1.00  0.00           H  
ATOM     80  N   HIS A  54      88.070 -32.639 -62.021  1.00  0.00           N  
ATOM     81  CA  HIS A  54      87.983 -31.190 -62.223  1.00  0.00           C  
ATOM     82  C   HIS A  54      89.273 -30.600 -62.825  1.00  0.00           C  
ATOM     83  O   HIS A  54      89.228 -29.639 -63.612  1.00  0.00           O  
ATOM     84  CB  HIS A  54      87.436 -30.461 -60.964  1.00  0.00           C  
ATOM     85  CG  HIS A  54      88.261 -30.691 -59.726  1.00  0.00           C  
ATOM     86  ND1 HIS A  54      89.223 -29.907 -59.127  1.00  0.00           N  
ATOM     87  CD2 HIS A  54      88.182 -31.815 -58.966  1.00  0.00           C  
ATOM     88  CE1 HIS A  54      89.737 -30.567 -57.987  1.00  0.00           C  
ATOM     89  NE2 HIS A  54      89.047 -31.719 -57.908  1.00  0.00           N  
ATOM     90  H   HIS A  54      87.755 -32.877 -61.091  1.00  0.00           H  
ATOM     91  HA  HIS A  54      87.220 -31.052 -62.989  1.00  0.00           H  
ATOM     92  HB3 HIS A  54      86.410 -30.779 -60.779  1.00  0.00           H  
ATOM     93  HB2 HIS A  54      87.374 -29.391 -61.164  1.00  0.00           H  
ATOM     94  HD2 HIS A  54      87.548 -32.557 -59.226  1.00  0.00           H  
ATOM     95  HE1 HIS A  54      90.471 -30.137 -57.443  1.00  0.00           H  
ATOM     96  HE2 HIS A  54      89.091 -32.509 -57.173  1.00  0.00           H  
ATOM     97  N   ASP A  55      90.445 -31.242 -62.441  1.00  0.00           N  
ATOM     98  CA  ASP A  55      91.806 -30.796 -62.516  1.00  0.00           C  
ATOM     99  C   ASP A  55      92.461 -31.857 -61.668  1.00  0.00           C  
ATOM    100  O   ASP A  55      92.132 -32.019 -60.488  1.00  0.00           O  
ATOM    101  CB  ASP A  55      91.996 -29.380 -61.909  1.00  0.00           C  
ATOM    102  CG  ASP A  55      93.169 -28.483 -62.245  1.00  0.00           C  
ATOM    103  OD1 ASP A  55      93.561 -28.164 -63.582  1.00  0.00           O  
ATOM    104  OD2 ASP A  55      94.413 -29.034 -61.918  1.00  0.00           O1-
ATOM    105  H   ASP A  55      90.405 -32.168 -62.040  1.00  0.00           H  
ATOM    106  HA  ASP A  55      92.173 -30.834 -63.542  1.00  0.00           H  
ATOM    107  HB3 ASP A  55      91.914 -29.453 -60.825  1.00  0.00           H  
ATOM    108  HB2 ASP A  55      91.075 -28.815 -62.050  1.00  0.00           H  
ATOM    109  N   GLY A  56      93.452 -32.603 -62.232  1.00  0.00           N  
ATOM    110  CA  GLY A  56      93.873 -33.927 -61.693  1.00  0.00           C  
ATOM    111  C   GLY A  56      93.551 -35.092 -62.532  1.00  0.00           C  
ATOM    112  O   GLY A  56      93.399 -36.220 -61.988  1.00  0.00           O  
ATOM    113  H   GLY A  56      93.936 -32.264 -63.051  1.00  0.00           H  
ATOM    114  HA3 GLY A  56      93.440 -34.066 -60.702  1.00  0.00           H  
ATOM    115  HA2 GLY A  56      94.945 -33.911 -61.496  1.00  0.00           H  
ATOM    116  N   GLN A  57      93.341 -34.885 -63.861  1.00  0.00           N  
ATOM    117  CA  GLN A  57      92.718 -35.796 -64.798  1.00  0.00           C  
ATOM    118  C   GLN A  57      93.594 -37.025 -64.998  1.00  0.00           C  
ATOM    119  O   GLN A  57      94.640 -36.992 -65.592  1.00  0.00           O  
ATOM    120  CB  GLN A  57      92.604 -35.009 -66.142  1.00  0.00           C  
ATOM    121  CG  GLN A  57      91.484 -33.906 -66.063  1.00  0.00           C  
ATOM    122  CD  GLN A  57      90.996 -33.387 -67.432  1.00  0.00           C  
ATOM    123  OE1 GLN A  57      91.728 -33.501 -68.399  1.00  0.00           O  
ATOM    124  NE2 GLN A  57      89.833 -32.730 -67.444  1.00  0.00           N  
ATOM    125  H   GLN A  57      93.633 -34.018 -64.289  1.00  0.00           H  
ATOM    126  HA  GLN A  57      91.729 -36.088 -64.444  1.00  0.00           H  
ATOM    127  HB3 GLN A  57      92.373 -35.703 -66.950  1.00  0.00           H  
ATOM    128  HB2 GLN A  57      93.561 -34.539 -66.369  1.00  0.00           H  
ATOM    129  HG3 GLN A  57      91.844 -33.068 -65.467  1.00  0.00           H  
ATOM    130  HG2 GLN A  57      90.635 -34.294 -65.500  1.00  0.00           H  
ATOM    131 HE22 GLN A  57      89.466 -32.368 -68.313  1.00  0.00           H  
ATOM    132 HE21 GLN A  57      89.320 -32.595 -66.584  1.00  0.00           H  
ATOM    133  N   PHE A  58      93.028 -38.152 -64.556  1.00  0.00           N  
ATOM    134  CA  PHE A  58      93.689 -39.445 -64.719  1.00  0.00           C  
ATOM    135  C   PHE A  58      94.956 -39.620 -63.870  1.00  0.00           C  
ATOM    136  O   PHE A  58      95.788 -40.478 -64.221  1.00  0.00           O  
ATOM    137  CB  PHE A  58      93.883 -39.828 -66.228  1.00  0.00           C  
ATOM    138  CG  PHE A  58      92.567 -39.903 -66.945  1.00  0.00           C  
ATOM    139  CD1 PHE A  58      91.804 -41.039 -66.694  1.00  0.00           C  
ATOM    140  CD2 PHE A  58      92.021 -38.833 -67.775  1.00  0.00           C  
ATOM    141  CE1 PHE A  58      90.617 -41.250 -67.358  1.00  0.00           C  
ATOM    142  CE2 PHE A  58      90.747 -39.095 -68.363  1.00  0.00           C  
ATOM    143  CZ  PHE A  58      90.109 -40.304 -68.218  1.00  0.00           C  
ATOM    144  H   PHE A  58      92.127 -38.120 -64.100  1.00  0.00           H  
ATOM    145  HA  PHE A  58      92.982 -40.177 -64.329  1.00  0.00           H  
ATOM    146  HB3 PHE A  58      94.388 -40.791 -66.296  1.00  0.00           H  
ATOM    147  HB2 PHE A  58      94.518 -39.086 -66.712  1.00  0.00           H  
ATOM    148  HD1 PHE A  58      92.141 -41.767 -65.971  1.00  0.00           H  
ATOM    149  HD2 PHE A  58      92.577 -37.917 -67.910  1.00  0.00           H  
ATOM    150  HE1 PHE A  58      90.070 -42.169 -67.207  1.00  0.00           H  
ATOM    151  HE2 PHE A  58      90.253 -38.330 -68.944  1.00  0.00           H  
ATOM    152  HZ  PHE A  58      89.210 -40.511 -68.779  1.00  0.00           H  
ATOM    153  N   CYS A  59      95.053 -39.000 -62.709  1.00  0.00           N  
ATOM    154  CA  CYS A  59      96.059 -39.388 -61.668  1.00  0.00           C  
ATOM    155  C   CYS A  59      95.606 -40.693 -60.960  1.00  0.00           C  
ATOM    156  O   CYS A  59      94.420 -40.839 -60.584  1.00  0.00           O  
ATOM    157  CB  CYS A  59      96.198 -38.347 -60.524  1.00  0.00           C  
ATOM    158  SG  CYS A  59      96.848 -36.700 -60.944  1.00  0.00           S  
ATOM    159  H   CYS A  59      94.434 -38.231 -62.494  1.00  0.00           H  
ATOM    160  HA  CYS A  59      97.029 -39.546 -62.139  1.00  0.00           H  
ATOM    161  HB3 CYS A  59      96.800 -38.775 -59.723  1.00  0.00           H  
ATOM    162  HB2 CYS A  59      95.236 -38.234 -60.025  1.00  0.00           H  
ATOM    163  N   HIS A  60      96.376 -41.778 -60.989  1.00  0.00           N  
ATOM    164  CA  HIS A  60      96.241 -42.906 -60.046  1.00  0.00           C  
ATOM    165  C   HIS A  60      96.652 -42.548 -58.598  1.00  0.00           C  
ATOM    166  O   HIS A  60      95.869 -42.905 -57.714  1.00  0.00           O  
ATOM    167  CB  HIS A  60      96.895 -44.209 -60.467  1.00  0.00           C  
ATOM    168  CG  HIS A  60      96.946 -44.490 -61.985  1.00  0.00           C  
ATOM    169  ND1 HIS A  60      97.979 -44.290 -62.899  1.00  0.00           N  
ATOM    170  CD2 HIS A  60      95.898 -45.214 -62.566  1.00  0.00           C  
ATOM    171  CE1 HIS A  60      97.499 -44.886 -64.020  1.00  0.00           C  
ATOM    172  NE2 HIS A  60      96.305 -45.350 -63.822  1.00  0.00           N  
ATOM    173  H   HIS A  60      97.103 -41.863 -61.685  1.00  0.00           H  
ATOM    174  HA  HIS A  60      95.173 -43.119 -60.000  1.00  0.00           H  
ATOM    175  HB3 HIS A  60      96.398 -45.039 -59.964  1.00  0.00           H  
ATOM    176  HB2 HIS A  60      97.905 -44.252 -60.060  1.00  0.00           H  
ATOM    177  HD2 HIS A  60      95.100 -45.484 -62.008  1.00  0.00           H  
ATOM    178  HE1 HIS A  60      98.065 -44.919 -64.856  1.00  0.00           H  
ATOM    179  HD1 HIS A  60      98.872 -43.762 -62.598  1.00  0.00           H  
ATOM    180  N   LYS A  61      97.868 -41.991 -58.419  1.00  0.00           N  
ATOM    181  CA  LYS A  61      98.433 -41.802 -57.050  1.00  0.00           C  
ATOM    182  C   LYS A  61      98.274 -40.381 -56.490  1.00  0.00           C  
ATOM    183  O   LYS A  61      98.265 -39.371 -57.222  1.00  0.00           O  
ATOM    184  CB  LYS A  61      99.978 -42.176 -57.092  1.00  0.00           C  
ATOM    185  CG  LYS A  61     100.232 -43.644 -57.628  1.00  0.00           C  
ATOM    186  CD  LYS A  61     101.714 -43.991 -57.610  1.00  0.00           C  
ATOM    187  CE  LYS A  61     102.359 -43.860 -59.028  1.00  0.00           C  
ATOM    188  NZ  LYS A  61     102.241 -42.526 -59.590  1.00  0.00           N1+
ATOM    189  H   LYS A  61      98.410 -41.695 -59.218  1.00  0.00           H  
ATOM    190  HA  LYS A  61      97.931 -42.494 -56.374  1.00  0.00           H  
ATOM    191  HB3 LYS A  61     100.402 -42.077 -56.093  1.00  0.00           H  
ATOM    192  HB2 LYS A  61     100.506 -41.463 -57.725  1.00  0.00           H  
ATOM    193  HG3 LYS A  61      99.852 -43.729 -58.646  1.00  0.00           H  
ATOM    194  HG2 LYS A  61      99.685 -44.356 -57.009  1.00  0.00           H  
ATOM    195  HD3 LYS A  61     101.843 -45.010 -57.245  1.00  0.00           H  
ATOM    196  HD2 LYS A  61     102.232 -43.332 -56.914  1.00  0.00           H  
ATOM    197  HE3 LYS A  61     101.897 -44.580 -59.704  1.00  0.00           H  
ATOM    198  HE2 LYS A  61     103.412 -44.138 -58.974  1.00  0.00           H  
ATOM    199  HZ1 LYS A  61     102.702 -41.863 -58.984  1.00  0.00           H  
ATOM    200  HZ2 LYS A  61     102.674 -42.505 -60.502  1.00  0.00           H  
ATOM    201  HZ3 LYS A  61     101.265 -42.281 -59.676  1.00  0.00           H  
ATOM    202  N   PRO A  62      98.119 -40.319 -55.105  1.00  0.00           N  
ATOM    203  CA  PRO A  62      98.174 -39.025 -54.412  1.00  0.00           C  
ATOM    204  C   PRO A  62      99.640 -38.546 -54.274  1.00  0.00           C  
ATOM    205  O   PRO A  62     100.578 -39.383 -54.370  1.00  0.00           O  
ATOM    206  CB  PRO A  62      97.546 -39.374 -53.097  1.00  0.00           C  
ATOM    207  CG  PRO A  62      97.927 -40.882 -52.872  1.00  0.00           C  
ATOM    208  CD  PRO A  62      97.834 -41.483 -54.264  1.00  0.00           C  
ATOM    209  HA  PRO A  62      97.575 -38.282 -54.938  1.00  0.00           H  
ATOM    210  HB3 PRO A  62      96.463 -39.284 -53.179  1.00  0.00           H  
ATOM    211  HB2 PRO A  62      97.995 -38.767 -52.310  1.00  0.00           H  
ATOM    212  HG3 PRO A  62      97.182 -41.349 -52.228  1.00  0.00           H  
ATOM    213  HG2 PRO A  62      98.957 -40.945 -52.521  1.00  0.00           H  
ATOM    214  HD2 PRO A  62      98.628 -42.219 -54.390  1.00  0.00           H  
ATOM    215  HD3 PRO A  62      96.811 -41.812 -54.444  1.00  0.00           H  
ATOM    216  N   CYS A  63      99.808 -37.268 -53.875  1.00  0.00           N  
ATOM    217  CA  CYS A  63     101.058 -36.859 -53.177  1.00  0.00           C  
ATOM    218  C   CYS A  63     100.736 -36.716 -51.637  1.00  0.00           C  
ATOM    219  O   CYS A  63      99.668 -36.150 -51.296  1.00  0.00           O  
ATOM    220  CB  CYS A  63     101.661 -35.640 -53.784  1.00  0.00           C  
ATOM    221  SG  CYS A  63     102.114 -36.065 -55.528  1.00  0.00           S  
ATOM    222  H   CYS A  63      99.085 -36.585 -54.050  1.00  0.00           H  
ATOM    223  HA  CYS A  63     101.777 -37.671 -53.288  1.00  0.00           H  
ATOM    224  HB3 CYS A  63     102.560 -35.367 -53.232  1.00  0.00           H  
ATOM    225  HB2 CYS A  63     100.926 -34.835 -53.786  1.00  0.00           H  
ATOM    226  N   PRO A  64     101.609 -37.252 -50.712  1.00  0.00           N  
ATOM    227  CA  PRO A  64     101.402 -36.943 -49.263  1.00  0.00           C  
ATOM    228  C   PRO A  64     101.560 -35.513 -48.835  1.00  0.00           C  
ATOM    229  O   PRO A  64     101.985 -34.716 -49.675  1.00  0.00           O  
ATOM    230  CB  PRO A  64     102.435 -37.887 -48.605  1.00  0.00           C  
ATOM    231  CG  PRO A  64     103.591 -37.932 -49.618  1.00  0.00           C  
ATOM    232  CD  PRO A  64     102.908 -37.897 -50.943  1.00  0.00           C  
ATOM    233  HA  PRO A  64     100.404 -37.277 -48.980  1.00  0.00           H  
ATOM    234  HB3 PRO A  64     102.002 -38.883 -48.507  1.00  0.00           H  
ATOM    235  HB2 PRO A  64     102.788 -37.442 -47.675  1.00  0.00           H  
ATOM    236  HG3 PRO A  64     104.126 -38.876 -49.513  1.00  0.00           H  
ATOM    237  HG2 PRO A  64     104.204 -37.038 -49.505  1.00  0.00           H  
ATOM    238  HD2 PRO A  64     103.494 -37.293 -51.636  1.00  0.00           H  
ATOM    239  HD3 PRO A  64     102.749 -38.916 -51.295  1.00  0.00           H  
ATOM    240  N   PRO A  65     101.298 -35.202 -47.547  1.00  0.00           N  
ATOM    241  CA  PRO A  65     101.572 -33.790 -47.022  1.00  0.00           C  
ATOM    242  C   PRO A  65     103.079 -33.393 -47.169  1.00  0.00           C  
ATOM    243  O   PRO A  65     103.902 -34.262 -47.002  1.00  0.00           O  
ATOM    244  CB  PRO A  65     101.251 -33.899 -45.500  1.00  0.00           C  
ATOM    245  CG  PRO A  65     100.248 -35.026 -45.426  1.00  0.00           C  
ATOM    246  CD  PRO A  65     100.701 -35.994 -46.468  1.00  0.00           C  
ATOM    247  HA  PRO A  65     100.925 -33.059 -47.507  1.00  0.00           H  
ATOM    248  HB3 PRO A  65     100.780 -32.975 -45.164  1.00  0.00           H  
ATOM    249  HB2 PRO A  65     102.154 -34.185 -44.961  1.00  0.00           H  
ATOM    250  HG3 PRO A  65      99.260 -34.648 -45.690  1.00  0.00           H  
ATOM    251  HG2 PRO A  65     100.307 -35.498 -44.445  1.00  0.00           H  
ATOM    252  HD2 PRO A  65     101.456 -36.656 -46.044  1.00  0.00           H  
ATOM    253  HD3 PRO A  65      99.840 -36.541 -46.853  1.00  0.00           H  
ATOM    254  N   GLY A  66     103.313 -32.189 -47.653  1.00  0.00           N  
ATOM    255  CA  GLY A  66     104.621 -31.609 -47.805  1.00  0.00           C  
ATOM    256  C   GLY A  66     104.979 -31.665 -49.284  1.00  0.00           C  
ATOM    257  O   GLY A  66     106.056 -31.141 -49.620  1.00  0.00           O  
ATOM    258  H   GLY A  66     102.544 -31.605 -47.948  1.00  0.00           H  
ATOM    259  HA3 GLY A  66     105.345 -32.191 -47.234  1.00  0.00           H  
ATOM    260  HA2 GLY A  66     104.597 -30.570 -47.477  1.00  0.00           H  
ATOM    261  N   GLU A  67     104.134 -32.244 -50.166  1.00  0.00           N  
ATOM    262  CA  GLU A  67     104.393 -32.512 -51.612  1.00  0.00           C  
ATOM    263  C   GLU A  67     103.167 -32.091 -52.443  1.00  0.00           C  
ATOM    264  O   GLU A  67     102.099 -31.840 -51.897  1.00  0.00           O  
ATOM    265  CB  GLU A  67     104.873 -33.979 -51.849  1.00  0.00           C  
ATOM    266  CG  GLU A  67     106.263 -34.287 -51.193  1.00  0.00           C  
ATOM    267  CD  GLU A  67     106.604 -35.800 -50.962  1.00  0.00           C  
ATOM    268  OE1 GLU A  67     107.661 -35.964 -49.997  1.00  0.00           O  
ATOM    269  OE2 GLU A  67     107.186 -36.403 -52.060  1.00  0.00           O1-
ATOM    270  H   GLU A  67     103.218 -32.545 -49.865  1.00  0.00           H  
ATOM    271  HA  GLU A  67     105.214 -31.860 -51.911  1.00  0.00           H  
ATOM    272  HB3 GLU A  67     104.927 -34.174 -52.920  1.00  0.00           H  
ATOM    273  HB2 GLU A  67     104.127 -34.671 -51.459  1.00  0.00           H  
ATOM    274  HG3 GLU A  67     106.339 -33.753 -50.246  1.00  0.00           H  
ATOM    275  HG2 GLU A  67     107.051 -33.828 -51.790  1.00  0.00           H  
ATOM    276  N   ARG A  68     103.354 -32.099 -53.725  1.00  0.00           N  
ATOM    277  CA  ARG A  68     102.452 -31.827 -54.819  1.00  0.00           C  
ATOM    278  C   ARG A  68     102.876 -32.602 -56.082  1.00  0.00           C  
ATOM    279  O   ARG A  68     104.047 -32.982 -56.183  1.00  0.00           O  
ATOM    280  CB  ARG A  68     102.403 -30.344 -55.182  1.00  0.00           C  
ATOM    281  CG  ARG A  68     103.714 -29.716 -55.768  1.00  0.00           C  
ATOM    282  CD  ARG A  68     103.577 -28.312 -56.353  1.00  0.00           C  
ATOM    283  NE  ARG A  68     104.714 -27.828 -57.070  1.00  0.00           N  
ATOM    284  CZ  ARG A  68     105.000 -28.532 -58.283  1.00  0.00           C  
ATOM    285  NH1 ARG A  68     104.097 -28.093 -59.257  1.00  0.00           N  
ATOM    286  NH2 ARG A  68     106.186 -27.969 -58.735  1.00  0.00           N1+
ATOM    287  H   ARG A  68     104.263 -32.326 -54.101  1.00  0.00           H  
ATOM    288  HA  ARG A  68     101.451 -32.149 -54.533  1.00  0.00           H  
ATOM    289  HB3 ARG A  68     102.090 -29.771 -54.309  1.00  0.00           H  
ATOM    290  HB2 ARG A  68     101.581 -30.172 -55.877  1.00  0.00           H  
ATOM    291  HG3 ARG A  68     104.125 -30.383 -56.526  1.00  0.00           H  
ATOM    292  HG2 ARG A  68     104.486 -29.711 -54.998  1.00  0.00           H  
ATOM    293  HD3 ARG A  68     103.330 -27.612 -55.555  1.00  0.00           H  
ATOM    294  HD2 ARG A  68     102.701 -28.276 -57.001  1.00  0.00           H  
ATOM    295  HE  ARG A  68     105.299 -27.056 -56.784  1.00  0.00           H  
ATOM    296 HH12 ARG A  68     104.137 -28.475 -60.191  1.00  0.00           H  
ATOM    297 HH11 ARG A  68     103.405 -27.394 -59.026  1.00  0.00           H  
ATOM    298 HH22 ARG A  68     106.607 -28.299 -59.592  1.00  0.00           H  
ATOM    299 HH21 ARG A  68     106.628 -27.230 -58.207  1.00  0.00           H  
ATOM    300  N   LYS A  69     101.945 -32.907 -57.034  1.00  0.00           N  
ATOM    301  CA  LYS A  69     102.309 -33.380 -58.353  1.00  0.00           C  
ATOM    302  C   LYS A  69     103.155 -32.334 -59.118  1.00  0.00           C  
ATOM    303  O   LYS A  69     102.990 -31.131 -59.033  1.00  0.00           O  
ATOM    304  CB  LYS A  69     100.977 -33.755 -59.116  1.00  0.00           C  
ATOM    305  CG  LYS A  69     100.215 -34.979 -58.731  1.00  0.00           C  
ATOM    306  CD  LYS A  69     100.948 -36.258 -59.090  1.00  0.00           C  
ATOM    307  CE  LYS A  69     100.134 -37.573 -58.897  1.00  0.00           C  
ATOM    308  NZ  LYS A  69     100.974 -38.722 -59.123  1.00  0.00           N1+
ATOM    309  H   LYS A  69     100.961 -32.805 -56.829  1.00  0.00           H  
ATOM    310  HA  LYS A  69     102.905 -34.286 -58.240  1.00  0.00           H  
ATOM    311  HB3 LYS A  69     101.179 -33.786 -60.187  1.00  0.00           H  
ATOM    312  HB2 LYS A  69     100.304 -32.898 -59.095  1.00  0.00           H  
ATOM    313  HG3 LYS A  69      99.242 -34.969 -59.222  1.00  0.00           H  
ATOM    314  HG2 LYS A  69     100.020 -34.962 -57.659  1.00  0.00           H  
ATOM    315  HD3 LYS A  69     101.871 -36.318 -58.514  1.00  0.00           H  
ATOM    316  HD2 LYS A  69     101.295 -36.197 -60.122  1.00  0.00           H  
ATOM    317  HE3 LYS A  69      99.300 -37.590 -59.598  1.00  0.00           H  
ATOM    318  HE2 LYS A  69      99.736 -37.608 -57.883  1.00  0.00           H  
ATOM    319  HZ1 LYS A  69     100.404 -39.504 -59.412  1.00  0.00           H  
ATOM    320  HZ2 LYS A  69     101.647 -38.511 -59.846  1.00  0.00           H  
ATOM    321  HZ3 LYS A  69     101.460 -38.957 -58.270  1.00  0.00           H  
ATOM    322  N   ALA A  70     104.212 -32.837 -59.736  1.00  0.00           N  
ATOM    323  CA  ALA A  70     105.167 -32.049 -60.506  1.00  0.00           C  
ATOM    324  C   ALA A  70     104.564 -31.114 -61.620  1.00  0.00           C  
ATOM    325  O   ALA A  70     104.962 -29.959 -61.867  1.00  0.00           O  
ATOM    326  CB  ALA A  70     106.207 -32.897 -61.184  1.00  0.00           C  
ATOM    327  H   ALA A  70     104.399 -33.829 -59.691  1.00  0.00           H  
ATOM    328  HA  ALA A  70     105.692 -31.406 -59.800  1.00  0.00           H  
ATOM    329  HB1 ALA A  70     106.891 -32.257 -61.742  1.00  0.00           H  
ATOM    330  HB2 ALA A  70     106.765 -33.457 -60.434  1.00  0.00           H  
ATOM    331  HB3 ALA A  70     105.720 -33.592 -61.868  1.00  0.00           H  
ATOM    332  N   ARG A  71     103.461 -31.694 -62.204  1.00  0.00           N  
ATOM    333  CA  ARG A  71     102.601 -31.098 -63.177  1.00  0.00           C  
ATOM    334  C   ARG A  71     101.257 -31.883 -63.085  1.00  0.00           C  
ATOM    335  O   ARG A  71     101.060 -32.856 -62.379  1.00  0.00           O  
ATOM    336  CB  ARG A  71     103.269 -31.059 -64.546  1.00  0.00           C  
ATOM    337  CG  ARG A  71     103.618 -32.517 -65.065  1.00  0.00           C  
ATOM    338  CD  ARG A  71     104.845 -32.552 -65.953  1.00  0.00           C  
ATOM    339  NE  ARG A  71     105.283 -33.919 -66.217  1.00  0.00           N  
ATOM    340  CZ  ARG A  71     105.865 -34.633 -65.146  1.00  0.00           C  
ATOM    341  NH1 ARG A  71     106.945 -33.936 -64.642  1.00  0.00           N  
ATOM    342  NH2 ARG A  71     106.456 -35.796 -65.639  1.00  0.00           N1+
ATOM    343  H   ARG A  71     103.192 -32.634 -61.952  1.00  0.00           H  
ATOM    344  HA  ARG A  71     102.410 -30.070 -62.869  1.00  0.00           H  
ATOM    345  HB3 ARG A  71     104.182 -30.467 -64.487  1.00  0.00           H  
ATOM    346  HB2 ARG A  71     102.606 -30.569 -65.259  1.00  0.00           H  
ATOM    347  HG3 ARG A  71     102.765 -32.921 -65.610  1.00  0.00           H  
ATOM    348  HG2 ARG A  71     103.769 -33.178 -64.212  1.00  0.00           H  
ATOM    349  HD3 ARG A  71     105.654 -31.998 -65.476  1.00  0.00           H  
ATOM    350  HD2 ARG A  71     104.624 -32.053 -66.897  1.00  0.00           H  
ATOM    351  HE  ARG A  71     105.184 -34.357 -67.121  1.00  0.00           H  
ATOM    352 HH12 ARG A  71     107.473 -34.314 -63.868  1.00  0.00           H  
ATOM    353 HH11 ARG A  71     107.207 -33.049 -65.047  1.00  0.00           H  
ATOM    354 HH22 ARG A  71     106.923 -36.432 -65.008  1.00  0.00           H  
ATOM    355 HH21 ARG A  71     106.417 -36.002 -66.627  1.00  0.00           H  
ATOM    356  N   ASP A  72     100.276 -31.318 -63.821  1.00  0.00           N  
ATOM    357  CA  ASP A  72      98.959 -31.950 -63.940  1.00  0.00           C  
ATOM    358  C   ASP A  72      98.968 -33.257 -64.612  1.00  0.00           C  
ATOM    359  O   ASP A  72      99.676 -33.324 -65.628  1.00  0.00           O  
ATOM    360  CB  ASP A  72      97.929 -31.021 -64.753  1.00  0.00           C  
ATOM    361  CG  ASP A  72      97.988 -29.524 -64.589  1.00  0.00           C  
ATOM    362  OD1 ASP A  72      96.881 -28.880 -65.139  1.00  0.00           O  
ATOM    363  OD2 ASP A  72      97.822 -28.980 -63.308  1.00  0.00           O1-
ATOM    364  H   ASP A  72     100.444 -30.445 -64.301  1.00  0.00           H  
ATOM    365  HA  ASP A  72      98.562 -32.092 -62.935  1.00  0.00           H  
ATOM    366  HB3 ASP A  72      96.912 -31.360 -64.554  1.00  0.00           H  
ATOM    367  HB2 ASP A  72      97.993 -31.264 -65.814  1.00  0.00           H  
ATOM    368  N   CYS A  73      98.281 -34.211 -64.074  1.00  0.00           N  
ATOM    369  CA  CYS A  73      98.193 -35