Sunday, September 22 2024 03:52:30
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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 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 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 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
Inside initializeInside initializeInside initializeInside initialize MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
Call Read_Bridge.
ns= 0
ns= 0
Processor 3 0 0 ivec_start 1
ivec_end 21
Processor 1 0 0 ivec_start 1
ivec_end 21
MPI: node= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 2 0 0 ivec_start 1
ivec_end 21
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
[dell15:63237] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:63237] 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 45.13588309288025
End of minim, proc 3 time 45.13816690444946
End of minim, proc 1 time 45.14070987701416
End of cycle, master time for 32 iters 45.13656497001648
sec, Eval/s 13578.85785963424
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 81.05403494834900
End of minim, proc 1 time 81.05406308174133
End of cycle, master time for 25 iters 32.95088601112366
sec, Eval/s 15278.16277322713
End of minim, proc 3 time 81.06576395034790
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 111.7194159030914
End of minim, proc 1 time 111.7194440364838
End of cycle, master time for 21 iters 27.61753892898560
End of minim, proc 3 time 111.7194659709930
sec, Eval/s 15251.54001169616
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 155.6795039176941
End of minim, proc 2 time 155.6812000274658
End of cycle, master time for 31 iters 40.94861698150635
sec, Eval/s 15282.29879613823
End of minim, proc 1 time 155.6897959709167
UPDATING 3 4
End of RUN, master time 155.6942238807678 sec, Eval/s
14767.27872551479
CG processor 0 is finishing work.
CG processor 2 is finishing work.
CG processor 1 is finishing work.
CG processor 3 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
Emin= -200.13486
difference 0 from reference 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
difference 0 from reference emin -200.13486
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 164152 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 192526 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194581 m 450 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222125 m 538 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260390 m 646 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 279449 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 316044 m 831 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 322422 m 850 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
difference 0 from reference emin -200.13486
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 355039 m 905 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 394154 m 1033 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 417051 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 450339 m 1218 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 482581 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 506160 m 1435 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@032.pdb:REMARK GM 32 e 514647 m 1463 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 524378 m 1497 rms 3.44 %NC 46.7 ENERGY -1.99816E+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 544475 m 1564 rms 3.44 %NC 46.7 ENERGY -1.99819E+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@035.pdb:REMARK GM 35 e 564230 m 1640 rms 3.44 %NC 46.7 ENERGY -1.99819E+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@036.pdb:REMARK GM 36 e 593216 m 1742 rms 3.38 %NC 46.7 ENERGY -2.00088E+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@037.pdb:REMARK GM 37 e 613450 m 1826 rms 3.38 %NC 46.7 ENERGY -2.00089E+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@038.pdb:REMARK GM 38 e 617952 m 1839 rms 3.39 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 620740 m 1853 rms 3.38 %NC 46.7 ENERGY -2.00090E+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@040.pdb:REMARK GM 40 e 648485 m 1957 rms 3.38 %NC 46.7 ENERGY -2.00134E+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@041.pdb:REMARK GM 41 e 725121 m 2054 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@042.pdb:REMARK GM 42 e 765573 m 2176 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@043.pdb:REMARK GM 43 e 780558 m 2212 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 805219 m 2295 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 825275 m 2351 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 890570 m 2538 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 931876 m 2663 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1834501 m 4865 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 164152 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 192526 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1948210 m 5191 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 2343879 m 6235 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194581 m 450 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222125 m 538 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260390 m 646 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 279449 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 316044 m 831 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 322422 m 850 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 355039 m 905 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 394154 m 1033 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 417051 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 450339 m 1218 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 482581 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 506160 m 1435 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 514647 m 1463 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 524378 m 1497 rms 3.44 %NC 46.7 ENERGY -1.99816E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 544475 m 1564 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 564230 m 1640 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 593216 m 1742 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 613450 m 1826 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 617952 m 1839 rms 3.39 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 620740 m 1853 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 648485 m 1957 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 725121 m 2054 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 765573 m 2176 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 780558 m 2212 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 805219 m 2295 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 825275 m 2351 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 890570 m 2538 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 931876 m 2663 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1834501 m 4865 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1948210 m 5191 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 2343879 m 6235 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 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+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@015.pdb:REMARK GM 15 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+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@016.pdb:REMARK GM 16 e 164152 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+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@017.pdb:REMARK GM 17 e 192526 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+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@018.pdb:REMARK GM 18 e 194581 m 450 rms 2.51 %NC 46.7 ENERGY -1.94878E+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@019.pdb:REMARK GM 19 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+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@020.pdb:REMARK GM 20 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222125 m 538 rms 2.48 %NC 46.7 ENERGY -1.98201E+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@022.pdb:REMARK GM 22 e 260390 m 646 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 279449 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 316044 m 831 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 322422 m 850 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 355039 m 905 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 394154 m 1033 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 417051 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 450339 m 1218 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 482581 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 506160 m 1435 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 164152 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 514647 m 1463 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 192526 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 524378 m 1497 rms 3.44 %NC 46.7 ENERGY -1.99816E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194581 m 450 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 544475 m 1564 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 564230 m 1640 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 593216 m 1742 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222125 m 538 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 613450 m 1826 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 617952 m 1839 rms 3.39 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260390 m 646 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 279449 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 620740 m 1853 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 316044 m 831 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 648485 m 1957 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 322422 m 850 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 725121 m 2054 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 765573 m 2176 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 355039 m 905 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 394154 m 1033 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 780558 m 2212 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 805219 m 2295 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 417051 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 825275 m 2351 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 450339 m 1218 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 890570 m 2538 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 482581 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 931876 m 2663 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 506160 m 1435 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1834501 m 4865 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 514647 m 1463 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1948210 m 5191 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 524378 m 1497 rms 3.44 %NC 46.7 ENERGY -1.99816E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 2343879 m 6235 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 544475 m 1564 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 564230 m 1640 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 593216 m 1742 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 613450 m 1826 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 617952 m 1839 rms 3.39 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 620740 m 1853 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 648485 m 1957 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 725121 m 2054 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 765573 m 2176 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 780558 m 2212 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 805219 m 2295 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 825275 m 2351 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 890570 m 2538 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 931876 m 2663 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1834501 m 4865 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1948210 m 5191 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 2343879 m 6235 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
