Execution Time155.96s

Test: UNRES_CSA_local (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2018-01-06 04:07:04
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


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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            0  out of            4  rank in CG_COMM            0 
  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            2  out of            4  rank in CG_COMM            2 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
 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
            0  size of FG_COMM1            1
Inside initializeInside initializeInside initializeInside initialize MPI: node=             1  iseed=                  -6119485
 MPI: node=             3  iseed=                 -12238971
 MPI: node=             0  iseed=                  -3059742
 MPI: node=             2  iseed=                  -9179228
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 Call Read_Bridge.
 ns=            0
 ns=            0
 Call Read_Bridge.
 ns=            0
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            1            0            0  ivec_start            1 
  ivec_end           21
 Processor            0            0            0  ivec_start            1 
  ivec_end           21
 Processor            3            0            0  ivec_start            1 
  ivec_end           21
 Processor            2            0            0  ivec_start            1 
  ivec_end           21
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
[dell15:139271] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:139271] 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
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 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
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 UPDATING           100          100
 End of minim, proc            2 time     43.11441111564636     
 End of cycle, master time for            33  iters     43.11049199104309      
 sec, Eval/s     15126.38733363297     
 End of minim, proc            3 time     43.11447095870972     
 End of minim, proc            1 time     43.11447095870972     
 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
 End of minim, proc            3 time     82.60718512535095     
 End of minim, proc            1 time     82.60720896720886     
 End of minim, proc            2 time     82.62503814697266     
 End of cycle, master time for            27  iters     36.02241516113281      
 sec, Eval/s     14930.64797555030     
 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
 End of minim, proc            3 time     111.7679710388184     
 End of minim, proc            1 time     111.7679958343506     
 End of minim, proc            2 time     111.7895300388336     
 End of cycle, master time for            20  iters     26.08055019378662      
 sec, Eval/s     15251.55708159729     
 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
 End of minim, proc            2 time     152.6682720184326     
 End of minim, proc            1 time     152.6683008670807     
 End of cycle, master time for            29  iters     37.90118002891541      
 sec, Eval/s     15192.64042862778     
 End of minim, proc            3 time     152.6778719425201     
 UPDATING             3            4
 End of RUN, master time     152.6897299289703      sec, Eval/s  
    15059.17261802512     
CG processor   3 is finishing work.
CG processor   2 is finishing work.
CG processor   1 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=  -200.00127
Emin=  -200.00127
Emin=  -200.00127
Emin=  -200.00127
difference  .13359  from reference emin -200.13486
difference  .13359  from reference emin -200.13486
difference  .13359  from reference emin -200.13486
difference  .13359  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     64906 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    107339 m    187 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    133158 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149678 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153678 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161523 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162614 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184408 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184931 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    204367 m    487 rms  2.13 %NC  60.0     ENERGY    -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    207378 m    492 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    226694 m    562 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    232185 m    575 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    234768 m    583 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    240989 m    608 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    260534 m    678 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    299788 m    809 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    305668 m    826 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    306611 m    830 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    322544 m    884 rms  2.96 %NC  46.7     ENERGY    -1.91940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    335451 m    923 rms  2.22 %NC  53.3     ENERGY    -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    343602 m    952 rms  2.22 %NC  53.3     ENERGY    -1.92180E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    352705 m    975 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    371596 m   1032 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    373021 m   1039 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    380326 m   1064 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    401516 m   1124 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    411794 m   1162 rms  2.13 %NC  53.3     ENERGY    -1.99446E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    422322 m   1206 rms  2.13 %NC  53.3     ENERGY    -1.99448E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    432612 m   1230 rms  2.13 %NC  53.3     ENERGY    -1.99448E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    440887 m   1255 rms  2.13 %NC  53.3     ENERGY    -1.99448E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    461642 m   1326 rms  2.13 %NC  53.3     ENERGY    -1.99449E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    481514 m   1385 rms  2.13 %NC  53.3     ENERGY    -1.99449E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    494328 m   1427 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    503461 m   1468 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    617486 m   1798 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e    620255 m   1812 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e    654368 m   1926 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e    660592 m   1951 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e    679258 m   2019 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e    762738 m   2153 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e    861231 m   2452 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e    868493 m   2481 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e    881234 m   2513 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e    888294 m   2537 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e    907554 m   2600 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e    946789 m   2717 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e    985521 m   2842 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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@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     64906 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    107339 m    187 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    133158 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149678 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153678 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161523 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162614 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184408 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184931 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    204367 m    487 rms  2.13 %NC  60.0     ENERGY    -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    207378 m    492 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    226694 m    562 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    232185 m    575 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@023.pdb:REMARK GM 23 e    234768 m    583 rms  2.13 %NC  60.0     ENERGY    -1.91902E+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@024.pdb:REMARK GM 24 e    240989 m    608 rms  2.13 %NC  60.0     ENERGY    -1.91902E+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    260534 m    678 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     64906 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    299788 m    809 rms  2.13 %NC  60.0     ENERGY    -1.91902E+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@027.pdb:REMARK GM 27 e    305668 m    826 rms  2.13 %NC  53.3     ENERGY    -1.91934E+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@028.pdb:REMARK GM 28 e    306611 m    830 rms  2.13 %NC  53.3     ENERGY    -1.91934E+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@029.pdb:REMARK GM 29 e    322544 m    884 rms  2.96 %NC  46.7     ENERGY    -1.91940E+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    107339 m    187 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@030.pdb:REMARK GM 30 e    335451 m    923 rms  2.22 %NC  53.3     ENERGY    -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    343602 m    952 rms  2.22 %NC  53.3     ENERGY    -1.92180E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133158 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149678 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    352705 m    975 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153678 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    371596 m   1032 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161523 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162614 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    373021 m   1039 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184408 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    380326 m   1064 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184931 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    204367 m    487 rms  2.13 %NC  60.0     ENERGY    -1.91896E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    401516 m   1124 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    411794 m   1162 rms  2.13 %NC  53.3     ENERGY    -1.99446E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    422322 m   1206 rms  2.13 %NC  53.3     ENERGY    -1.99448E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    207378 m    492 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    226694 m    562 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    232185 m    575 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    432612 m   1230 rms  2.13 %NC  53.3     ENERGY    -1.99448E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    234768 m    583 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    440887 m   1255 rms  2.13 %NC  53.3     ENERGY    -1.99448E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    240989 m    608 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    260534 m    678 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    461642 m   1326 rms  2.13 %NC  53.3     ENERGY    -1.99449E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    481514 m   1385 rms  2.13 %NC  53.3     ENERGY    -1.99449E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    299788 m    809 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    305668 m    826 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    494328 m   1427 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    306611 m    830 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    503461 m   1468 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    322544 m    884 rms  2.96 %NC  46.7     ENERGY    -1.91940E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    617486 m   1798 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    335451 m    923 rms  2.22 %NC  53.3     ENERGY    -1.92180E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e    620255 m   1812 rms  2.13 %NC  53.3     ENERGY    -1.99556E+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@031.pdb:REMARK GM 31 e    343602 m    952 rms  2.22 %NC  53.3     ENERGY    -1.92180E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e    654368 m   1926 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    352705 m    975 rms  2.68 %NC  46.7     ENERGY    -1.93770E+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@048.pdb:REMARK GM 48 e    660592 m   1951 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    371596 m   1032 rms  2.68 %NC  46.7     ENERGY    -1.93770E+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@034.pdb:REMARK GM 34 e    373021 m   1039 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e    679258 m   2019 rms  2.13 %NC  53.3     ENERGY    -1.99556E+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@050.pdb:REMARK GM 50 e    762738 m   2153 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    380326 m   1064 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64906 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    401516 m   1124 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e    861231 m   2452 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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@037.pdb:REMARK GM 37 e    411794 m   1162 rms  2.13 %NC  53.3     ENERGY    -1.99446E+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@052.pdb:REMARK GM 52 e    868493 m   2481 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e    881234 m   2513 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@038.pdb:REMARK GM 38 e    422322 m   1206 rms  2.13 %NC  53.3     ENERGY    -1.99448E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    432612 m   1230 rms  2.13 %NC  53.3     ENERGY    -1.99448E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e    888294 m   2537 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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@040.pdb:REMARK GM 40 e    440887 m   1255 rms  2.13 %NC  53.3     ENERGY    -1.99448E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e    907554 m   2600 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107339 m    187 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    461642 m   1326 rms  2.13 %NC  53.3     ENERGY    -1.99449E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e    946789 m   2717 rms  3.28 %NC  46.7     ENERGY    -2.00001E+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@042.pdb:REMARK GM 42 e    481514 m   1385 rms  2.13 %NC  53.3     ENERGY    -1.99449E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133158 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e    985521 m   2842 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    494328 m   1427 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149678 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    503461 m   1468 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    617486 m   1798 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153678 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e    620255 m   1812 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161523 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162614 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e    654368 m   1926 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e    660592 m   1951 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184408 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e    679258 m   2019 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    184931 m    431 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e    762738 m   2153 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    204367 m    487 rms  2.13 %NC  60.0     ENERGY    -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    207378 m    492 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e    861231 m   2452 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e    868493 m   2481 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    226694 m    562 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e    881234 m   2513 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    232185 m    575 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e    888294 m   2537 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    234768 m    583 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e    907554 m   2600 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    240989 m    608 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e    946789 m   2717 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    260534 m    678 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e    985521 m   2842 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    299788 m    809 rms  2.13 %NC  60.0     ENERGY    -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    305668 m    826 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    306611 m    830 rms  2.13 %NC  53.3     ENERGY    -1.91934E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    322544 m    884 rms  2.96 %NC  46.7     ENERGY    -1.91940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    335451 m    923 rms  2.22 %NC  53.3     ENERGY    -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    343602 m    952 rms  2.22 %NC  53.3     ENERGY    -1.92180E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    352705 m    975 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    371596 m   1032 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    373021 m   1039 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    380326 m   1064 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    401516 m   1124 rms  2.68 %NC  46.7     ENERGY    -1.93770E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    411794 m   1162 rms  2.13 %NC  53.3     ENERGY    -1.99446E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    422322 m   1206 rms  2.13 %NC  53.3     ENERGY    -1.99448E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    432612 m   1230 rms  2.13 %NC  53.3     ENERGY    -1.99448E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    440887 m   1255 rms  2.13 %NC  53.3     ENERGY    -1.99448E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    461642 m   1326 rms  2.13 %NC  53.3     ENERGY    -1.99449E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    481514 m   1385 rms  2.13 %NC  53.3     ENERGY    -1.99449E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    494328 m   1427 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    503461 m   1468 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    617486 m   1798 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e    620255 m   1812 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e    654368 m   1926 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e    660592 m   1951 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e    679258 m   2019 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e    762738 m   2153 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e    861231 m   2452 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e    868493 m   2481 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e    881234 m   2513 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e    888294 m   2537 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e    907554 m   2600 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e    946789 m   2717 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e    985521 m   2842 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02