Wednesday, September 25 2024 01:24:50
UNRES
160.60s
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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 3 out of 4 rank in CG_COMM 3
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
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
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 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
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= 0 iseed= -3059742
MPI: node= 2 iseed= -9179228
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 0 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
[dell15:184885] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:184885] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 97 97
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End of minim, proc 3 time 47.33444213867188
End of minim, proc 2 time 47.33589410781860
End of cycle, master time for 34 iters 47.33081483840942
sec, Eval/s 13851.82152976499
End of minim, proc 1 time 47.33825898170471
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 74.70702099800110
End of minim, proc 3 time 74.70907902717590
End of cycle, master time for 19 iters 24.39522409439087
sec, Eval/s 15153.08892304849
End of minim, proc 2 time 74.71069002151489
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 115.3753600120544
End of minim, proc 1 time 115.3755049705505
End of cycle, master time for 27 iters 37.52396416664124
sec, Eval/s 14275.54395961753
End of minim, proc 3 time 115.3762700557709
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 156.5780160427094
End of minim, proc 3 time 156.5780060291290
End of cycle, master time for 29 iters 38.18247008323669
sec, Eval/s 14861.97720479943
End of minim, proc 2 time 156.6006231307983
UPDATING 3 4
End of RUN, master time 156.6021308898926 sec, Eval/s
14458.75600244556
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= -200.13487
Emin= -200.13487
Emin= -200.13487
Emin= -200.13487
difference .00001 from reference emin -200.13486
difference .00001 from reference emin -200.13486
difference .00001 from reference emin -200.13486
difference .00001 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 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 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 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 85650 m 109 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 195205 m 454 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 201319 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 220497 m 526 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 260706 m 648 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 279127 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316171 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 321611 m 848 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 355334 m 907 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 393886 m 1032 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 416717 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 449684 m 1216 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 482693 m 1351 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 506337 m 1435 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 514528 m 1463 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 525002 m 1500 rms 3.44 %NC 46.7 ENERGY -1.99816E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 545260 m 1568 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 564495 m 1639 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 624449 m 1839 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 642504 m 1915 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1067100 m 3093 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1092129 m 3165 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1095833 m 3174 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1115539 m 3231 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1183337 m 3286 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 1201478 m 3342 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1220890 m 3403 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 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 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 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 85650 m 109 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+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@019.pdb:REMARK GM 19 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 195205 m 454 rms 2.51 %NC 46.7 ENERGY -1.94878E+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@021.pdb:REMARK GM 21 e 201319 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 220497 m 526 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 260706 m 648 rms 2.48 %NC 46.7 ENERGY -1.98203E+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@025.pdb:REMARK GM 25 e 279127 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316171 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+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@027.pdb:REMARK GM 27 e 321611 m 848 rms 2.23 %NC 46.7 ENERGY -1.98813E+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@028.pdb:REMARK GM 28 e 355334 m 907 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 393886 m 1032 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 85650 m 109 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 416717 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 449684 m 1216 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 482693 m 1351 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 506337 m 1435 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 514528 m 1463 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 525002 m 1500 rms 3.44 %NC 46.7 ENERGY -1.99816E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 545260 m 1568 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 564495 m 1639 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 624449 m 1839 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 642504 m 1915 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1067100 m 3093 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1092129 m 3165 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 195205 m 454 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1095833 m 3174 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 201319 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1115539 m 3231 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 220497 m 526 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1183337 m 3286 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 1201478 m 3342 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1220890 m 3403 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 260706 m 648 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 279127 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316171 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 321611 m 848 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 355334 m 907 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 393886 m 1032 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 416717 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 449684 m 1216 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 482693 m 1351 rms 3.32 %NC 46.7 ENERGY -1.99797E+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@033.pdb:REMARK GM 33 e 506337 m 1435 rms 3.32 %NC 46.7 ENERGY -1.99797E+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@034.pdb:REMARK GM 34 e 514528 m 1463 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 525002 m 1500 rms 3.44 %NC 46.7 ENERGY -1.99816E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 545260 m 1568 rms 3.44 %NC 46.7 ENERGY -1.99819E+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@037.pdb:REMARK GM 37 e 564495 m 1639 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 624449 m 1839 rms 3.44 %NC 46.7 ENERGY -1.99819E+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@039.pdb:REMARK GM 39 e 642504 m 1915 rms 3.44 %NC 46.7 ENERGY -1.99819E+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@040.pdb:REMARK GM 40 e 1067100 m 3093 rms 3.38 %NC 46.7 ENERGY -2.00133E+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@041.pdb:REMARK GM 41 e 1092129 m 3165 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1095833 m 3174 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 85650 m 109 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1115539 m 3231 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1183337 m 3286 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 1201478 m 3342 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1220890 m 3403 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 195205 m 454 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 201319 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 220497 m 526 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 260706 m 648 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 279127 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316171 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 321611 m 848 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 355334 m 907 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 393886 m 1032 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 416717 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 449684 m 1216 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 482693 m 1351 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 506337 m 1435 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 514528 m 1463 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 525002 m 1500 rms 3.44 %NC 46.7 ENERGY -1.99816E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 545260 m 1568 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 564495 m 1639 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 624449 m 1839 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 642504 m 1915 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1067100 m 3093 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1092129 m 3165 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1095833 m 3174 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1115539 m 3231 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1183337 m 3286 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 1201478 m 3342 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1220890 m 3403 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
