Execution Time155.72s

Test: UNRES_CSA_local (Passed)
Build: Linux-pgi-MPI GAB (dell15) on 2018-06-03 03:59:34
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            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            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            0  out of            4  rank in CG_COMM            0 
 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
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
Inside initializeInside initializeInside initializeInside initialize MPI: node=             1  iseed=                  -6119485
 MPI: node=             3  iseed=                 -12238971
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Call Read_Bridge.
 ns=            0
 Processor            3            0            0  ivec_start            1 
  ivec_end           21
 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.
 Call Read_Bridge.
 ns=            0
 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
[dell15:02856] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:02856] 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
 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     49.73212599754333     
 End of minim, proc            1 time     49.74307894706726     
 End of cycle, master time for            37  iters     49.81961202621460      
 sec, Eval/s     14508.32253811351     
 End of minim, proc            2 time     49.82494306564331     
 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
 End of minim, proc            3 time     91.55978989601135     
 End of minim, proc            1 time     91.55981397628784     
 End of cycle, master time for            30  iters     38.76005983352661      
 sec, Eval/s     15204.90428887912     
 End of minim, proc            2 time     91.56070804595947     
 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
 End of minim, proc            1 time     124.5408837795258     
 End of minim, proc            3 time     124.5409040451050     
 End of cycle, master time for            23  iters     29.91020417213440      
 sec, Eval/s     15178.96693005429     
 End of minim, proc            2 time     124.5488400459290     
 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
 End of minim, proc            2 time     152.4943420886993     
 End of minim, proc            1 time     152.4958949089050     
 End of minim, proc            3 time     152.4974379539490     
 End of cycle, master time for            19  iters     24.90510606765747      
 sec, Eval/s     15105.13542797307     
 UPDATING             3            4
 End of RUN, master time     152.5006840229034      sec, Eval/s  
    14938.89692755639     
CG processor   1 is finishing work.
CG processor   3 is finishing work.
CG processor   2 is finishing work.
CG processor   0 is finishing work.
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...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin=  -200.00122
Emin=  -200.00122
Emin=  -200.00122
Emin=  -200.00122
difference  .13364  from reference emin -200.13486
difference  .13364  from reference emin -200.13486
difference  .13364  from reference emin -200.13486
difference  .13364  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     64129 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     85425 m    106 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    107666 m    188 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    134045 m    260 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    153457 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    163161 m    359 rms  2.58 %NC  53.3     ENERGY    -1.91065E+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@017.pdb:REMARK GM 17 e    184684 m    430 rms  2.52 %NC  53.3     ENERGY    -1.91122E+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@018.pdb:REMARK GM 18 e    184956 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+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@019.pdb:REMARK GM 19 e    210384 m    501 rms  2.86 %NC  53.3     ENERGY    -1.96742E+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@020.pdb:REMARK GM 20 e    235286 m    588 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64129 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    241374 m    609 rms  2.86 %NC  53.3     ENERGY    -1.96742E+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@022.pdb:REMARK GM 22 e    253854 m    645 rms  2.28 %NC  46.7     ENERGY    -1.96995E+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     85425 m    106 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    264205 m    690 rms  2.32 %NC  46.7     ENERGY    -1.97713E+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@024.pdb:REMARK GM 24 e    294318 m    793 rms  2.55 %NC  46.7     ENERGY    -1.98937E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107666 m    188 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    313396 m    864 rms  2.55 %NC  46.7     ENERGY    -1.98939E+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@026.pdb:REMARK GM 26 e    316743 m    878 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    134045 m    260 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    336108 m    954 rms  2.55 %NC  46.7     ENERGY    -1.98940E+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@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153457 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+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@028.pdb:REMARK GM 28 e    370303 m   1064 rms  2.13 %NC  53.3     ENERGY    -1.99550E+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@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+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@029.pdb:REMARK GM 29 e    382500 m   1108 rms  2.13 %NC  53.3     ENERGY    -1.99554E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    163161 m    359 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    389793 m   1122 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64129 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184684 m    430 rms  2.52 %NC  53.3     ENERGY    -1.91122E+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@031.pdb:REMARK GM 31 e    393466 m   1137 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184956 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    210384 m    501 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    397018 m   1150 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@008.pdb:REMARK GM  8 e     85425 m    106 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    235286 m    588 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    412843 m   1196 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    241374 m    609 rms  2.86 %NC  53.3     ENERGY    -1.96742E+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@034.pdb:REMARK GM 34 e    413021 m   1197 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    253854 m    645 rms  2.28 %NC  46.7     ENERGY    -1.96995E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107666 m    188 rms  2.62 %NC  46.7     ENERGY    -1.88657E+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@035.pdb:REMARK GM 35 e    416764 m   1211 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    264205 m    690 rms  2.32 %NC  46.7     ENERGY    -1.97713E+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@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    417862 m   1222 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    134045 m    260 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    294318 m    793 rms  2.55 %NC  46.7     ENERGY    -1.98937E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    457271 m   1344 rms  2.13 %NC  53.3     ENERGY    -1.99556E+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@013.pdb:REMARK GM 13 e    149435 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    313396 m    864 rms  2.55 %NC  46.7     ENERGY    -1.98939E+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@026.pdb:REMARK GM 26 e    316743 m    878 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153457 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    477432 m   1409 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    336108 m    954 rms  2.55 %NC  46.7     ENERGY    -1.98940E+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@039.pdb:REMARK GM 39 e    574011 m   1754 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64129 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@040.pdb:REMARK GM 40 e    697383 m   2182 rms  3.28 %NC  46.7     ENERGY    -2.00000E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    163161 m    359 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    370303 m   1064 rms  2.13 %NC  53.3     ENERGY    -1.99550E+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@017.pdb:REMARK GM 17 e    184684 m    430 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    382500 m   1108 rms  2.13 %NC  53.3     ENERGY    -1.99554E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    723188 m   2287 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85425 m    106 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184956 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    389793 m   1122 rms  2.13 %NC  53.3     ENERGY    -1.99555E+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@031.pdb:REMARK GM 31 e    393466 m   1137 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    730408 m   2314 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107666 m    188 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    210384 m    501 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    767546 m   2450 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    397018 m   1150 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    235286 m    588 rms  2.86 %NC  53.3     ENERGY    -1.96742E+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    134045 m    260 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    873306 m   2639 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    412843 m   1196 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    413021 m   1197 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    241374 m    609 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    893459 m   2697 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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@022.pdb:REMARK GM 22 e    253854 m    645 rms  2.28 %NC  46.7     ENERGY    -1.96995E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153457 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    416764 m   1211 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    264205 m    690 rms  2.32 %NC  46.7     ENERGY    -1.97713E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    417862 m   1222 rms  2.13 %NC  53.3     ENERGY    -1.99556E+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@024.pdb:REMARK GM 24 e    294318 m    793 rms  2.55 %NC  46.7     ENERGY    -1.98937E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    163161 m    359 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    457271 m   1344 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    313396 m    864 rms  2.55 %NC  46.7     ENERGY    -1.98939E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184684 m    430 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    477432 m   1409 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184956 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    316743 m    878 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    574011 m   1754 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    336108 m    954 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    210384 m    501 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    697383 m   2182 rms  3.28 %NC  46.7     ENERGY    -2.00000E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    235286 m    588 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    370303 m   1064 rms  2.13 %NC  53.3     ENERGY    -1.99550E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    723188 m   2287 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    730408 m   2314 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    382500 m   1108 rms  2.13 %NC  53.3     ENERGY    -1.99554E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    241374 m    609 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    767546 m   2450 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    389793 m   1122 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    253854 m    645 rms  2.28 %NC  46.7     ENERGY    -1.96995E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    264205 m    690 rms  2.32 %NC  46.7     ENERGY    -1.97713E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    393466 m   1137 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    873306 m   2639 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    893459 m   2697 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    294318 m    793 rms  2.55 %NC  46.7     ENERGY    -1.98937E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    397018 m   1150 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    313396 m    864 rms  2.55 %NC  46.7     ENERGY    -1.98939E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    412843 m   1196 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    413021 m   1197 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    316743 m    878 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    336108 m    954 rms  2.55 %NC  46.7     ENERGY    -1.98940E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    416764 m   1211 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    370303 m   1064 rms  2.13 %NC  53.3     ENERGY    -1.99550E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    417862 m   1222 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    382500 m   1108 rms  2.13 %NC  53.3     ENERGY    -1.99554E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    457271 m   1344 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    389793 m   1122 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    477432 m   1409 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    393466 m   1137 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    574011 m   1754 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    397018 m   1150 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    412843 m   1196 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    697383 m   2182 rms  3.28 %NC  46.7     ENERGY    -2.00000E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    413021 m   1197 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    723188 m   2287 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    730408 m   2314 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    416764 m   1211 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    767546 m   2450 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    417862 m   1222 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    457271 m   1344 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    873306 m   2639 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    893459 m   2697 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    477432 m   1409 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    574011 m   1754 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    697383 m   2182 rms  3.28 %NC  46.7     ENERGY    -2.00000E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    723188 m   2287 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    730408 m   2314 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    767546 m   2450 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    873306 m   2639 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    893459 m   2697 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02