Saturday, June 08 2024 19:46:20
UNRES
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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 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
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 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
Inside initializeInside initializeInside initializeInside initialize MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
MPI: node= 1 iseed= -6119485
Processor 3 0 0 ivec_start 1
ivec_end 21
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
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
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
[dell15:101846] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:101846] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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End of minim, proc 2 time 43.18035101890564
End of cycle, master time for 33 iters 43.17708802223206
sec, Eval/s 14714.77186402335
End of minim, proc 3 time 43.18146800994873
End of minim, proc 1 time 43.18150115013123
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 2 time 104.5445120334625
End of minim, proc 1 time 104.5445511341095
End of cycle, master time for 43 iters 58.43391394615173
sec, Eval/s 14698.12548910327
End of minim, proc 3 time 104.5962059497833
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 2 time 142.7539708614349
End of minim, proc 3 time 142.7681479454041
End of cycle, master time for 23 iters 34.70740103721619
sec, Eval/s 13309.17862460180
UPDATING 3 4
End of minim, proc 1 time 142.7854599952698
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 3 time 159.5035459995270
End of minim, proc 1 time 159.5035901069641
End of minim, proc 2 time 159.5616948604584
End of cycle, master time for 10 iters 13.78789710998535
sec, Eval/s 15061.97778699704
UPDATING 3 4
End of RUN, master time 159.5735228061676 sec, Eval/s
14411.28176880179
CG processor 2 is finishing work.
CG processor 3 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= -200.13481
Emin= -200.13481
Emin= -200.13481
Emin= -200.13481
difference .00005 from reference emin -200.13486
difference .00005 from reference emin -200.13486
difference .00005 from reference emin -200.13486
difference .00005 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 64783 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80866 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93704 m 137 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 191960 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192745 m 447 rms 2.92 %NC 46.7 ENERGY -1.91683E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 194574 m 452 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 201516 m 479 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 211609 m 504 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 215497 m 520 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 220156 m 532 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 249370 m 624 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 263554 m 673 rms 2.23 %NC 46.7 ENERGY -1.98966E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 289346 m 758 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 293127 m 771 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 296260 m 781 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 308707 m 813 rms 2.55 %NC 46.7 ENERGY -1.99017E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 334016 m 899 rms 2.55 %NC 46.7 ENERGY -1.99018E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 336736 m 914 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 344387 m 941 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 357849 m 993 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 372686 m 1045 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 410370 m 1186 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 486339 m 1432 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 544858 m 1607 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 587480 m 1734 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 617729 m 1830 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 624607 m 1856 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 652727 m 1960 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 668583 m 2024 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 747406 m 2118 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 748191 m 2125 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 808388 m 2306 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 845765 m 2424 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 866027 m 2483 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@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 64783 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80866 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93704 m 137 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 191960 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192745 m 447 rms 2.92 %NC 46.7 ENERGY -1.91683E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 194574 m 452 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 201516 m 479 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 211609 m 504 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 215497 m 520 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 220156 m 532 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 249370 m 624 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 263554 m 673 rms 2.23 %NC 46.7 ENERGY -1.98966E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 289346 m 758 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 293127 m 771 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 296260 m 781 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 308707 m 813 rms 2.55 %NC 46.7 ENERGY -1.99017E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 334016 m 899 rms 2.55 %NC 46.7 ENERGY -1.99018E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 336736 m 914 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 344387 m 941 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 357849 m 993 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 372686 m 1045 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 410370 m 1186 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 486339 m 1432 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 544858 m 1607 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 587480 m 1734 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 617729 m 1830 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 624607 m 1856 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 652727 m 1960 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 668583 m 2024 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 747406 m 2118 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 748191 m 2125 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 808388 m 2306 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 845765 m 2424 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 866027 m 2483 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@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 64783 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80866 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93704 m 137 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 191960 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192745 m 447 rms 2.92 %NC 46.7 ENERGY -1.91683E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 194574 m 452 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 201516 m 479 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 211609 m 504 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 215497 m 520 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 220156 m 532 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 249370 m 624 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 263554 m 673 rms 2.23 %NC 46.7 ENERGY -1.98966E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 289346 m 758 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 293127 m 771 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 296260 m 781 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 308707 m 813 rms 2.55 %NC 46.7 ENERGY -1.99017E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 334016 m 899 rms 2.55 %NC 46.7 ENERGY -1.99018E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 336736 m 914 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 344387 m 941 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 357849 m 993 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 372686 m 1045 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 410370 m 1186 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 486339 m 1432 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 544858 m 1607 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 587480 m 1734 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 617729 m 1830 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 624607 m 1856 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 652727 m 1960 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 668583 m 2024 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 747406 m 2118 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 748191 m 2125 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 808388 m 2306 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 845765 m 2424 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 866027 m 2483 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@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 64783 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80866 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93704 m 137 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 191960 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192745 m 447 rms 2.92 %NC 46.7 ENERGY -1.91683E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 194574 m 452 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 201516 m 479 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 211609 m 504 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 215497 m 520 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 220156 m 532 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 249370 m 624 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 263554 m 673 rms 2.23 %NC 46.7 ENERGY -1.98966E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 289346 m 758 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 293127 m 771 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 296260 m 781 rms 2.23 %NC 46.7 ENERGY -1.98967E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 308707 m 813 rms 2.55 %NC 46.7 ENERGY -1.99017E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 334016 m 899 rms 2.55 %NC 46.7 ENERGY -1.99018E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 336736 m 914 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 344387 m 941 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 357849 m 993 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 372686 m 1045 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 410370 m 1186 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 486339 m 1432 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 544858 m 1607 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 587480 m 1734 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 617729 m 1830 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 624607 m 1856 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 652727 m 1960 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 668583 m 2024 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 747406 m 2118 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 748191 m 2125 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 808388 m 2306 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 845765 m 2424 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 866027 m 2483 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
