Friday, September 20 2024 01:08:16
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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 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
Processor 1 out of 4 rank in CG_COMM 1
Processor 3 out of 4 rank in CG_COMM 3
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
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= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
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.
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
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:38169] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:38169] 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 1 time 75.92041182518005
End of minim, proc 2 time 75.92041993141174
End of cycle, master time for 44 iters 75.91819405555725
sec, Eval/s 11192.98226954857
End of minim, proc 3 time 75.92239022254944
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 129.7589070796967
End of minim, proc 1 time 129.7588758468628
End of cycle, master time for 24 iters 49.81506776809692
sec, Eval/s 9748.576520275450
End of minim, proc 3 time 129.7590360641479
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 192.1249759197235
End of minim, proc 3 time 192.1249821186066
End of cycle, master time for 27 iters 57.39525008201599
sec, Eval/s 9412.869518435658
End of minim, proc 2 time 192.1554589271545
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 227.1628189086914
End of minim, proc 2 time 227.1651530265808
End of cycle, master time for 14 iters 30.09853816032410
sec, Eval/s 9169.947009713114
End of minim, proc 3 time 227.1761341094971
UPDATING 3 4
End of RUN, master time 227.1805830001831 sec, Eval/s
10069.00312425977
CG processor 0 is finishing work.
CG processor 2 is finishing work.
CG processor 3 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
Emin= -200.13486
difference 0 from reference emin -200.13486
difference 0 from reference 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 4675 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 52738 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77355 m 77 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 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 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133307 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149403 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184673 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 204379 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 207390 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 227075 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 232408 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 234181 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 240870 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 260375 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 299664 m 807 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 305802 m 826 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 307012 m 831 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 322400 m 884 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 335601 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 344891 m 956 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 352950 m 980 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 369986 m 1044 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 379151 m 1074 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 404576 m 1158 rms 2.92 %NC 46.7 ENERGY -1.95190E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 420973 m 1228 rms 2.92 %NC 46.7 ENERGY -1.95190E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 431168 m 1256 rms 2.50 %NC 46.7 ENERGY -1.99023E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 453921 m 1329 rms 2.50 %NC 46.7 ENERGY -1.99024E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 472145 m 1383 rms 2.13 %NC 53.3 ENERGY -1.99447E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 479594 m 1424 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 497170 m 1479 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 575618 m 1733 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 634846 m 1940 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 723102 m 2268 rms 3.28 %NC 46.7 ENERGY -1.99686E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 732408 m 2310 rms 3.29 %NC 46.7 ENERGY -1.99687E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 745103 m 2350 rms 3.28 %NC 46.7 ENERGY -1.99687E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 783537 m 2488 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 813507 m 2590 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 820202 m 2622 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 839257 m 2683 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 850781 m 2727 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 894468 m 2878 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 1495030 m 4429 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 1532365 m 4503 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 1537194 m 4518 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 1555197 m 4590 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1594361 m 4695 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1971780 m 5783 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1992785 m 5848 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 2118409 m 6076 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 2177596 m 6250 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4675 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 52738 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77355 m 77 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 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 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133307 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149403 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184673 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 204379 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 207390 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 227075 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 232408 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 234181 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 240870 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 260375 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 299664 m 807 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 305802 m 826 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 307012 m 831 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 322400 m 884 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 335601 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 344891 m 956 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 352950 m 980 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 369986 m 1044 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 379151 m 1074 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 404576 m 1158 rms 2.92 %NC 46.7 ENERGY -1.95190E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 420973 m 1228 rms 2.92 %NC 46.7 ENERGY -1.95190E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 431168 m 1256 rms 2.50 %NC 46.7 ENERGY -1.99023E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 453921 m 1329 rms 2.50 %NC 46.7 ENERGY -1.99024E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 472145 m 1383 rms 2.13 %NC 53.3 ENERGY -1.99447E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 479594 m 1424 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 497170 m 1479 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 575618 m 1733 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 634846 m 1940 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 723102 m 2268 rms 3.28 %NC 46.7 ENERGY -1.99686E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 732408 m 2310 rms 3.29 %NC 46.7 ENERGY -1.99687E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 745103 m 2350 rms 3.28 %NC 46.7 ENERGY -1.99687E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 783537 m 2488 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 813507 m 2590 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 820202 m 2622 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 839257 m 2683 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 850781 m 2727 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 894468 m 2878 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 1495030 m 4429 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 1532365 m 4503 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 1537194 m 4518 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 1555197 m 4590 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1594361 m 4695 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1971780 m 5783 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1992785 m 5848 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 2118409 m 6076 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 2177596 m 6250 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4675 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 52738 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77355 m 77 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 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@001.pdb:REMARK GM 1 e 4675 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+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@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+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@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+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@004.pdb:REMARK GM 4 e 52738 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77355 m 77 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 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@013.pdb:REMARK GM 13 e 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133307 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149403 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+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@016.pdb:REMARK GM 16 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+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@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+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@018.pdb:REMARK GM 18 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184673 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133307 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149403 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 204379 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 207390 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 227075 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184673 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 232408 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 234181 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 204379 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 207390 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 240870 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 227075 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 260375 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 232408 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 299664 m 807 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 305802 m 826 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 234181 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 240870 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 307012 m 831 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 260375 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 322400 m 884 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 299664 m 807 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 305802 m 826 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 335601 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 307012 m 831 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 344891 m 956 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 322400 m 884 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 352950 m 980 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 335601 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 344891 m 956 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 369986 m 1044 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 352950 m 980 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 379151 m 1074 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 369986 m 1044 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 404576 m 1158 rms 2.92 %NC 46.7 ENERGY -1.95190E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 379151 m 1074 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 420973 m 1228 rms 2.92 %NC 46.7 ENERGY -1.95190E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 404576 m 1158 rms 2.92 %NC 46.7 ENERGY -1.95190E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 431168 m 1256 rms 2.50 %NC 46.7 ENERGY -1.99023E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 420973 m 1228 rms 2.92 %NC 46.7 ENERGY -1.95190E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 453921 m 1329 rms 2.50 %NC 46.7 ENERGY -1.99024E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 431168 m 1256 rms 2.50 %NC 46.7 ENERGY -1.99023E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 453921 m 1329 rms 2.50 %NC 46.7 ENERGY -1.99024E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 472145 m 1383 rms 2.13 %NC 53.3 ENERGY -1.99447E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 472145 m 1383 rms 2.13 %NC 53.3 ENERGY -1.99447E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 479594 m 1424 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 479594 m 1424 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 497170 m 1479 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 497170 m 1479 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 575618 m 1733 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 575618 m 1733 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 634846 m 1940 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 634846 m 1940 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 723102 m 2268 rms 3.28 %NC 46.7 ENERGY -1.99686E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 723102 m 2268 rms 3.28 %NC 46.7 ENERGY -1.99686E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 732408 m 2310 rms 3.29 %NC 46.7 ENERGY -1.99687E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 745103 m 2350 rms 3.28 %NC 46.7 ENERGY -1.99687E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 732408 m 2310 rms 3.29 %NC 46.7 ENERGY -1.99687E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 783537 m 2488 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 745103 m 2350 rms 3.28 %NC 46.7 ENERGY -1.99687E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 813507 m 2590 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 783537 m 2488 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 820202 m 2622 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 813507 m 2590 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 839257 m 2683 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 820202 m 2622 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 850781 m 2727 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 839257 m 2683 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 894468 m 2878 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 1495030 m 4429 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 850781 m 2727 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 1532365 m 4503 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 894468 m 2878 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 1537194 m 4518 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 1495030 m 4429 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 1555197 m 4590 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 1532365 m 4503 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1594361 m 4695 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1971780 m 5783 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 1537194 m 4518 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1992785 m 5848 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 1555197 m 4590 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 2118409 m 6076 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1594361 m 4695 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 2177596 m 6250 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1971780 m 5783 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1992785 m 5848 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 2118409 m 6076 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 2177596 m 6250 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
