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ID        	=	 23050410394776539
JOBID     	=	 
USERID    	=	 unknown
PRIVAT    	=	 0

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

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0

REMARK  Energy: 220.616
REMARK  SimpleFitness: 220.616
REMARK  FullFitness: -4070.3374
REMARK  InterFull: -40.5882
REMARK  IntraFull: 304.544
REMARK  solvFull: -4804.06
REMARK  surfFull: 469.767
REMARK  extraFull: 0.0
REMARK  deltaGcompsolvpol: -4804.06
REMARK  deltaGcompsolvnonpol: 469.767
REMARK  deltaGprotsolvpol: -4814.68
REMARK  deltaGprotsolvnonpol: 471.31
REMARK  deltaGligsolvpol: -11.2552
REMARK  deltaGligsolvnonpol: 12.1
REMARK  deltaGvdw: -40.5882
REMARK  deltaGelec: 0.0
REMARK  deltaG: -7.7815022
REMARK  Cluster: 0
REMARK  ClusterRank: 0
ATOM  13241 C1   LIG     1     -83.904 -50.144 -56.802  1.00  0.00      LIG  
ATOM  13242 C2   LIG     1     -83.229 -50.814 -57.748  1.00  0.00      LIG  
ATOM  13243 C3   LIG     1     -81.956 -51.581 -57.505  1.00  0.00      LIG  
ATOM  13244 C4   LIG     1     -81.333 -51.517 -56.113  1.00  0.00      LIG  
ATOM  13245 H5   LIG     1     -82.111 -51.641 -55.356  1.00  0.00      LIG  
ATOM  13246 C6   LIG     1     -80.636 -50.183 -55.909  1.00  0.00      LIG  
ATOM  13247 C7   LIG     1     -80.322 -52.653 -55.983  1.00  0.00      LIG  
ATOM  13248 C8   LIG     1     -79.835 -52.865 -54.549  1.00  0.00      LIG  
ATOM  13249 H9   LIG     1     -79.294 -51.968 -54.240  1.00  0.00      LIG  
ATOM  13250 C10  LIG     1     -78.860 -54.039 -54.451  1.00  0.00      LIG  
ATOM  13251 C11  LIG     1     -79.524 -55.371 -54.374  1.00  0.00      LIG  
ATOM  13252 C12  LIG     1     -80.828 -55.442 -54.083  1.00  0.00      LIG  
ATOM  13253 C13  LIG     1     -81.683 -54.228 -53.852  1.00  0.00      LIG  
ATOM  13254 H14  LIG     1     -82.284 -54.044 -54.740  1.00  0.00      LIG  
ATOM  13255 C15  LIG     1     -82.633 -54.416 -52.668  1.00  0.00      LIG  
ATOM  13256 C16  LIG     1     -83.880 -55.204 -52.942  1.00  0.00      LIG  
ATOM  13257 C17  LIG     1     -85.067 -54.757 -53.390  1.00  0.00      LIG  
ATOM  13258 C18  LIG     1     -85.290 -53.378 -53.917  1.00  0.00      LIG  
ATOM  13259 O19  LIG     1     -84.439 -52.511 -54.032  1.00  0.00      LIG  
ATOM  13260 O20  LIG     1     -86.503 -53.372 -54.553  1.00  0.00      LIG  
ATOM  13261 C21  LIG     1     -86.696 -52.286 -55.490  1.00  0.00      LIG  
ATOM  13262 H22  LIG     1     -85.736 -51.883 -55.825  1.00  0.00      LIG  
ATOM  13263 C23  LIG     1     -87.538 -51.129 -54.924  1.00  0.00      LIG  
ATOM  13264 H24  LIG     1     -87.762 -50.437 -55.741  1.00  0.00      LIG  
ATOM  13265 O25  LIG     1     -88.787 -51.611 -54.463  1.00  0.00      LIG  
ATOM  13266 C26  LIG     1     -86.903 -50.382 -53.799  1.00  0.00      LIG  
ATOM  13267 C27  LIG     1     -86.401 -49.146 -53.927  1.00  0.00      LIG  
ATOM  13268 C28  LIG     1     -85.755 -48.310 -52.859  1.00  0.00      LIG  
ATOM  13269 H29  LIG     1     -86.140 -47.290 -52.954  1.00  0.00      LIG  
ATOM  13270 C30  LIG     1     -84.237 -48.315 -53.058  1.00  0.00      LIG  
ATOM  13271 C31  LIG     1     -83.528 -47.591 -51.965  1.00  0.00      LIG  
ATOM  13272 C32  LIG     1     -82.118 -47.183 -52.210  1.00  0.00      LIG  
ATOM  13273 C33  LIG     1     -84.180 -47.352 -50.822  1.00  0.00      LIG  
ATOM  13274 C34  LIG     1     -85.587 -47.804 -50.572  1.00  0.00      LIG  
ATOM  13275 O35  LIG     1     -86.075 -48.756 -51.531  1.00  0.00      LIG  
ATOM  13276 C36  LIG     1     -87.391 -52.873 -56.716  1.00  0.00      LIG  
ATOM  13277 C37  LIG     1     -87.137 -52.024 -57.916  1.00  0.00      LIG  
ATOM  13278 H38  LIG     1     -87.641 -51.067 -57.896  1.00  0.00      LIG  
ATOM  13279 O39  LIG     1     -87.053 -52.730 -59.172  1.00  0.00      LIG  
ATOM  13280 C40  LIG     1     -85.839 -52.162 -58.622  1.00  0.00      LIG  
ATOM  13281 H41  LIG     1     -85.106 -52.860 -58.242  1.00  0.00      LIG  
ATOM  13282 C42  LIG     1     -85.211 -51.070 -59.451  1.00  0.00      LIG  
ATOM  13283 H43  LIG     1     -85.322 -51.340 -60.505  1.00  0.00      LIG  
ATOM  13284 O44  LIG     1     -85.872 -49.812 -59.299  1.00  0.00      LIG  
ATOM  13285 C45  LIG     1     -83.706 -50.925 -59.176  1.00  0.00      LIG  
ATOM  13286 O46  LIG     1     -80.918 -53.026 -53.619  1.00  0.00      LIG  
ATOM  13287 H47  LIG     1     -83.574 -50.108 -55.771  1.00  0.00      LIG  
ATOM  13288 H48  LIG     1     -84.820 -49.613 -57.018  1.00  0.00      LIG  
ATOM  13289 H49  LIG     1     -81.208 -51.246 -58.229  1.00  0.00      LIG  
ATOM  13290 H50  LIG     1     -82.166 -52.629 -57.738  1.00  0.00      LIG  
ATOM  13291 H51  LIG     1     -81.329 -49.352 -56.057  1.00  0.00      LIG  
ATOM  13292 H52  LIG     1     -79.815 -50.069 -56.623  1.00  0.00      LIG  
ATOM  13293 H53  LIG     1     -80.226 -50.101 -54.900  1.00  0.00      LIG  
ATOM  13294 H54  LIG     1     -79.463 -52.458 -56.630  1.00  0.00      LIG  
ATOM  13295 H55  LIG     1     -80.780 -53.571 -56.353  1.00  0.00      LIG  
ATOM  13296 H56  LIG     1     -78.254 -53.927 -53.548  1.00  0.00      LIG  
ATOM  13297 H57  LIG     1     -78.180 -54.014 -55.307  1.00  0.00      LIG  
ATOM  13298 H58  LIG     1     -78.946 -56.271 -54.543  1.00  0.00      LIG  
ATOM  13299 H59  LIG     1     -81.311 -56.408 -54.047  1.00  0.00      LIG  
ATOM  13300 H60  LIG     1     -82.918 -53.434 -52.291  1.00  0.00      LIG  
ATOM  13301 H61  LIG     1     -82.106 -54.887 -51.833  1.00  0.00      LIG  
ATOM  13302 H62  LIG     1     -83.802 -56.266 -52.739  1.00  0.00      LIG  
ATOM  13303 H63  LIG     1     -85.877 -55.466 -53.516  1.00  0.00      LIG  
ATOM  13304 H64  LIG     1     -88.752 -51.598 -53.491  1.00  0.00      LIG  
ATOM  13305 H65  LIG     1     -86.860 -50.870 -52.834  1.00  0.00      LIG  
ATOM  13306 H66  LIG     1     -86.436 -48.687 -54.908  1.00  0.00      LIG  
ATOM  13307 H67  LIG     1     -83.994 -47.850 -54.019  1.00  0.00      LIG  
ATOM  13308 H68  LIG     1     -83.856 -49.341 -53.083  1.00  0.00      LIG  
ATOM  13309 H69  LIG     1     -82.063 -46.527 -53.083  1.00  0.00      LIG  
ATOM  13310 H70  LIG     1     -81.502 -48.066 -52.397  1.00  0.00      LIG  
ATOM  13311 H71  LIG     1     -81.694 -46.646 -51.356  1.00  0.00      LIG  
ATOM  13312 H72  LIG     1     -83.675 -46.817 -50.027  1.00  0.00      LIG  
ATOM  13313 H73  LIG     1     -86.256 -46.943 -50.565  1.00  0.00      LIG  
ATOM  13314 H74  LIG     1     -85.650 -48.267 -49.584  1.00  0.00      LIG  
ATOM  13315 H75  LIG     1     -88.467 -52.968 -56.550  1.00  0.00      LIG  
ATOM  13316 H76  LIG     1     -87.032 -53.890 -56.901  1.00  0.00      LIG  
ATOM  13317 H77  LIG     1     -85.713 -49.527 -58.385  1.00  0.00      LIG  
ATOM  13318 H78  LIG     1     -83.232 -51.818 -59.592  1.00  0.00      LIG  
ATOM  13319 H79  LIG     1     -83.308 -50.071 -59.733  1.00  0.00      LIG  
TER

• K. Suhre & Y.H. Sanejouand, ElNemo: a normal mode web-server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610-W614, 2004.
• K. Suhre & Y.H. Sanejouand, On the potential of normal mode analysis for solving difficult molecular replacement problems. Acta Cryst. D vol.60, p796-799, 2004 © International Union of Crystallography.