Thursday, September 26 2024 23:57:38
UNRES
175.14s
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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 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
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
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= 0 iseed= -3059742
MPI: node= 2 iseed= -9179228
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
MPI: node= 3 iseed= -12238971
MPI: node= 1 iseed= -6119485
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 1 0 0 ivec_start 1
ivec_end 21
Processor 3 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
[dell15:171053] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:171053] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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End of minim, proc 3 time 51.74281096458435
End of minim, proc 2 time 51.74285984039307
End of minim, proc 1 time 51.77996397018433
End of cycle, master time for 36 iters 51.77595782279968
sec, Eval/s 13695.08223154022
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 1 time 93.03191804885864
End of minim, proc 3 time 93.05055284500122
End of cycle, master time for 25 iters 37.90189194679260
sec, Eval/s 13322.21095212978
End of minim, proc 2 time 93.08378601074219
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 3 time 137.1481487751007
End of minim, proc 2 time 137.1482009887695
End of cycle, master time for 27 iters 40.57402396202087
sec, Eval/s 13311.32451899650
End of minim, proc 1 time 137.1482071876526
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 1 time 171.8711481094360
End of cycle, master time for 21 iters 31.31535100936890
sec, Eval/s 13301.39968334957
End of minim, proc 2 time 171.8711969852448
End of minim, proc 3 time 171.8712029457092
UPDATING 3 4
End of RUN, master time 171.8841369152069 sec, Eval/s
13418.88810331479
CG processor 3 is finishing work.
CG processor 0 is finishing work.
CG processor 2 is finishing work.
CG processor 1 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= -200.13486
Emin= -200.13486
Emin= -200.13486
difference 0 from reference emin -200.13486
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 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77537 m 79 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 133158 m 258 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 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 203959 m 486 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207852 m 493 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226340 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232072 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234326 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240911 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 259185 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 296253 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 315542 m 874 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 338999 m 951 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 376047 m 1064 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 384647 m 1088 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 406780 m 1167 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 413630 m 1189 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 417481 m 1208 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 438667 m 1271 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 445798 m 1297 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 453049 m 1313 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 457547 m 1332 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 508364 m 1486 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 531226 m 1549 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 535826 m 1562 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 563345 m 1653 rms 3.33 %NC 46.7 ENERGY -1.99796E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 582439 m 1714 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 599861 m 1760 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 604349 m 1781 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 621431 m 1846 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 640242 m 1904 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 663460 m 1997 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 734054 m 2265 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 821358 m 2386 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 864521 m 2490 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 925036 m 2706 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 987379 m 2889 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 1007779 m 2947 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
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 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77537 m 79 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 133158 m 258 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 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 203959 m 486 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207852 m 493 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226340 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232072 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234326 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240911 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 259185 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 296253 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 315542 m 874 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 338999 m 951 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 376047 m 1064 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 384647 m 1088 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 406780 m 1167 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 413630 m 1189 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 417481 m 1208 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 438667 m 1271 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 445798 m 1297 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 453049 m 1313 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 457547 m 1332 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 508364 m 1486 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 531226 m 1549 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 535826 m 1562 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 563345 m 1653 rms 3.33 %NC 46.7 ENERGY -1.99796E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 582439 m 1714 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 599861 m 1760 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 604349 m 1781 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 621431 m 1846 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 640242 m 1904 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 663460 m 1997 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 734054 m 2265 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 821358 m 2386 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 864521 m 2490 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 925036 m 2706 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 987379 m 2889 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 1007779 m 2947 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
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 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77537 m 79 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 133158 m 258 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 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+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@018.pdb:REMARK GM 18 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+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@019.pdb:REMARK GM 19 e 203959 m 486 rms 2.13 %NC 60.0 ENERGY -1.91896E+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@020.pdb:REMARK GM 20 e 207852 m 493 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226340 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+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 77537 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232072 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@023.pdb:REMARK GM 23 e 234326 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@024.pdb:REMARK GM 24 e 240911 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@025.pdb:REMARK GM 25 e 259185 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@026.pdb:REMARK GM 26 e 296253 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@027.pdb:REMARK GM 27 e 315542 m 874 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@028.pdb:REMARK GM 28 e 338999 m 951 rms 2.33 %NC 46.7 ENERGY -1.93547E+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@029.pdb:REMARK GM 29 e 376047 m 1064 rms 2.33 %NC 46.7 ENERGY -1.93547E+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@030.pdb:REMARK GM 30 e 384647 m 1088 rms 3.11 %NC 46.7 ENERGY -1.93802E+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@031.pdb:REMARK GM 31 e 406780 m 1167 rms 3.11 %NC 46.7 ENERGY -1.93803E+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@032.pdb:REMARK GM 32 e 413630 m 1189 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 417481 m 1208 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 438667 m 1271 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 203959 m 486 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 445798 m 1297 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207852 m 493 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226340 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 453049 m 1313 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232072 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234326 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 457547 m 1332 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 508364 m 1486 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 531226 m 1549 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240911 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 259185 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 535826 m 1562 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 296253 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 563345 m 1653 rms 3.33 %NC 46.7 ENERGY -1.99796E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 582439 m 1714 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 599861 m 1760 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 604349 m 1781 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 621431 m 1846 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 315542 m 874 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 338999 m 951 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 376047 m 1064 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 384647 m 1088 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 406780 m 1167 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 413630 m 1189 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 417481 m 1208 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 438667 m 1271 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 640242 m 1904 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 445798 m 1297 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 663460 m 1997 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 453049 m 1313 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 734054 m 2265 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 457547 m 1332 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 508364 m 1486 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 821358 m 2386 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 531226 m 1549 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 864521 m 2490 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 535826 m 1562 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 925036 m 2706 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 563345 m 1653 rms 3.33 %NC 46.7 ENERGY -1.99796E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 987379 m 2889 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 582439 m 1714 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 1007779 m 2947 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 599861 m 1760 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 604349 m 1781 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 621431 m 1846 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 640242 m 1904 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 663460 m 1997 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 734054 m 2265 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 821358 m 2386 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 864521 m 2490 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 925036 m 2706 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 987379 m 2889 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 1007779 m 2947 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
