Execution Time172.96s

Test: UNRES_CSA_local (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2018-10-13 04:07:22
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


Show Command Line
Show Test Time Graph
Show Failing/Passing Graph

Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries, 
but each of them failed.  CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with 
--mca mpi_cuda_support 0 to suppress this message.  If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
 Processor            3  out of            4  rank in CG_COMM            3 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
 Processor            1  out of            4  rank in CG_COMM            1 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
 Processor            0  out of            4  rank in CG_COMM            0 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
 Processor            2  out of            4  rank in CG_COMM            2 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
            0  size of FG_COMM1            1
Inside initializeInside initializeInside initializeInside initialize MPI: node=             3  iseed=                 -12238971
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            3            0            0  ivec_start            1 
  ivec_end           21
 MPI: node=             1  iseed=                  -6119485
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            1            0            0  ivec_start            1 
  ivec_end           21
 MPI: node=             2  iseed=                  -9179228
 MPI: node=             0  iseed=                  -3059742
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Call Read_Bridge.
 ns=            0
 Processor            2            0            0  ivec_start            1 
  ivec_end           21
 Processor            0            0            0  ivec_start            1 
  ivec_end           21
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
[dell15:142339] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:142339] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            1 time     41.14642095565796     
 End of minim, proc            3 time     41.14644384384155     
 End of cycle, master time for            29  iters     41.14486813545227      
 sec, Eval/s     13497.94093814260     
 End of minim, proc            2 time     41.14886403083801     
 UPDATING             3            4
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            2 time     85.64873194694519     
 End of minim, proc            1 time     85.64875411987305     
 End of cycle, master time for            28  iters     41.12097382545471      
 sec, Eval/s     13289.56853793472     
 End of minim, proc            3 time     85.65412783622742     
 UPDATING             3            4
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            3 time     134.7104527950287     
 End of minim, proc            1 time     134.7104761600494     
 End of cycle, master time for            31  iters     45.52734398841858      
 sec, Eval/s     13300.79787114404     
 End of minim, proc            2 time     134.7430830001831     
 UPDATING             3            4
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            1 time     169.6731081008911     
 End of minim, proc            3 time     169.6731278896332     
 End of cycle, master time for            21  iters     31.49684810638428      
 sec, Eval/s     13288.85349372975     
 End of minim, proc            2 time     169.6731610298157     
 UPDATING             3            4
 End of RUN, master time     169.6860821247101      sec, Eval/s  
    13329.36073294270     
CG processor   1 is finishing work.
CG processor   3 is finishing work.
CG processor   0 is finishing work.
CG processor   2 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin=  -200.13486
Emin=  -200.13486
Emin=  -200.13486
Emin=  -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19537 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64583 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77467 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85526 m    107 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107153 m    186 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133903 m    259 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149435 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153904 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162108 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184665 m    430 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    204154 m    487 rms  2.13 %NC  60.0     ENERGY    -1.91896E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    208091 m    494 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    226519 m    562 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    231937 m    575 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    234454 m    583 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    240643 m    608 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    258932 m    677 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    295847 m    800 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    314922 m    872 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    373395 m   1079 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    379019 m   1092 rms  2.65 %NC  53.3     ENERGY    -1.92366E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19537 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    381276 m   1095 rms  3.03 %NC  46.7     ENERGY    -1.92995E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    401382 m   1163 rms  2.06 %NC  46.7     ENERGY    -1.96799E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    431895 m   1237 rms  2.06 %NC  46.7     ENERGY    -1.96799E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64583 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77467 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    456777 m   1314 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    470160 m   1345 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85526 m    107 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    490282 m   1405 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    508322 m   1473 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107153 m    186 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    546806 m   1612 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133903 m    259 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    552876 m   1633 rms  3.29 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    555918 m   1640 rms  3.32 %NC  46.7     ENERGY    -1.99989E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149435 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153904 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    567698 m   1683 rms  3.33 %NC  46.7     ENERGY    -1.99989E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    575280 m   1707 rms  3.33 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162108 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    582471 m   1726 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184665 m    430 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    600674 m   1793 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    204154 m    487 rms  2.13 %NC  60.0     ENERGY    -1.91896E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    665996 m   1859 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    208091 m    494 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    226519 m    562 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    706975 m   1975 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    231937 m    575 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    726244 m   2031 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1016451 m   2912 rms  3.38 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    234454 m    583 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    240643 m    608 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e   1044024 m   3014 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    258932 m    677 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e   1172758 m   3450 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19537 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    295847 m    800 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e   1191790 m   3509 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    314922 m    872 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64583 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    373395 m   1079 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e   1259784 m   3562 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77467 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e   1318832 m   3727 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    379019 m   1092 rms  2.65 %NC  53.3     ENERGY    -1.92366E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    381276 m   1095 rms  3.03 %NC  46.7     ENERGY    -1.92995E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85526 m    107 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e   1358011 m   3838 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    401382 m   1163 rms  2.06 %NC  46.7     ENERGY    -1.96799E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e   1670375 m   4673 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107153 m    186 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    431895 m   1237 rms  2.06 %NC  46.7     ENERGY    -1.96799E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    456777 m   1314 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133903 m    259 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149435 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    470160 m   1345 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153904 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    490282 m   1405 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162108 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    508322 m   1473 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184665 m    430 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    546806 m   1612 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    204154 m    487 rms  2.13 %NC  60.0     ENERGY    -1.91896E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    208091 m    494 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    552876 m   1633 rms  3.29 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    555918 m   1640 rms  3.32 %NC  46.7     ENERGY    -1.99989E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    226519 m    562 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    231937 m    575 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    567698 m   1683 rms  3.33 %NC  46.7     ENERGY    -1.99989E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    234454 m    583 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    240643 m    608 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    575280 m   1707 rms  3.33 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    582471 m   1726 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    258932 m    677 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    295847 m    800 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    314922 m    872 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    600674 m   1793 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    373395 m   1079 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    665996 m   1859 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    379019 m   1092 rms  2.65 %NC  53.3     ENERGY    -1.92366E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    706975 m   1975 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    381276 m   1095 rms  3.03 %NC  46.7     ENERGY    -1.92995E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    401382 m   1163 rms  2.06 %NC  46.7     ENERGY    -1.96799E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    431895 m   1237 rms  2.06 %NC  46.7     ENERGY    -1.96799E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    456777 m   1314 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    726244 m   2031 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1016451 m   2912 rms  3.38 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e   1044024 m   3014 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    470160 m   1345 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    490282 m   1405 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e   1172758 m   3450 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    508322 m   1473 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    546806 m   1612 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e   1191790 m   3509 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e   1259784 m   3562 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    552876 m   1633 rms  3.29 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    555918 m   1640 rms  3.32 %NC  46.7     ENERGY    -1.99989E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e   1318832 m   3727 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    567698 m   1683 rms  3.33 %NC  46.7     ENERGY    -1.99989E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    575280 m   1707 rms  3.33 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e   1358011 m   3838 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    582471 m   1726 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e   1670375 m   4673 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    600674 m   1793 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19537 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    665996 m   1859 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    706975 m   1975 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64583 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    726244 m   2031 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77467 m     78 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1016451 m   2912 rms  3.38 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85526 m    107 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e   1044024 m   3014 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e   1172758 m   3450 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107153 m    186 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e   1191790 m   3509 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e   1259784 m   3562 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133903 m    259 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149435 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e   1318832 m   3727 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153904 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e   1358011 m   3838 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e   1670375 m   4673 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162108 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184665 m    430 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    204154 m    487 rms  2.13 %NC  60.0     ENERGY    -1.91896E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    208091 m    494 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    226519 m    562 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    231937 m    575 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    234454 m    583 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    240643 m    608 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    258932 m    677 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    295847 m    800 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    314922 m    872 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    373395 m   1079 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    379019 m   1092 rms  2.65 %NC  53.3     ENERGY    -1.92366E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    381276 m   1095 rms  3.03 %NC  46.7     ENERGY    -1.92995E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    401382 m   1163 rms  2.06 %NC  46.7     ENERGY    -1.96799E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    431895 m   1237 rms  2.06 %NC  46.7     ENERGY    -1.96799E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    456777 m   1314 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    470160 m   1345 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    490282 m   1405 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    508322 m   1473 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    546806 m   1612 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    552876 m   1633 rms  3.29 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    555918 m   1640 rms  3.32 %NC  46.7     ENERGY    -1.99989E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    567698 m   1683 rms  3.33 %NC  46.7     ENERGY    -1.99989E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    575280 m   1707 rms  3.33 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    582471 m   1726 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    600674 m   1793 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    665996 m   1859 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    706975 m   1975 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    726244 m   2031 rms  3.32 %NC  46.7     ENERGY    -1.99990E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1016451 m   2912 rms  3.38 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e   1044024 m   3014 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e   1172758 m   3450 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e   1191790 m   3509 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e   1259784 m   3562 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e   1318832 m   3727 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e   1358011 m   3838 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e   1670375 m   4673 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02