Monday, October 14 2024 20:32:51
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 2 out of 4 rank in CG_COMM 2
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 0 out of 4 rank in CG_COMM 0
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 1 out of 4 rank in CG_COMM 1
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 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
0 size of FG_COMM1 1
Inside initializeInside initializeInside initializeInside initialize MPI: node= 3 iseed= -12238971
MPI: node= 1 iseed= -6119485
MPI: node= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
Call Read_Bridge.
ns= 0
ns= 0
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 1 0 0 ivec_start 1
ivec_end 21
Processor 3 0 0 ivec_start 1
ivec_end 21
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
[dell15:104538] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:104538] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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End of minim, proc 3 time 49.57994484901428
End of minim, proc 2 time 49.58119606971741
End of cycle, master time for 38 iters 49.60637092590332
sec, Eval/s 14879.70166377493
End of minim, proc 1 time 49.61030292510986
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 80.55119299888611
End of minim, proc 3 time 80.55810499191284
End of cycle, master time for 21 iters 28.00512099266052
sec, Eval/s 15309.41430720343
End of minim, proc 1 time 80.58186888694763
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 116.5136749744415
End of minim, proc 1 time 116.5139379501343
End of cycle, master time for 25 iters 32.92931604385376
sec, Eval/s 15304.38710991887
End of minim, proc 3 time 116.5382409095764
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 152.7880690097809
End of minim, proc 1 time 152.7971689701080
End of minim, proc 3 time 152.8380339145660
End of cycle, master time for 25 iters 33.33057308197021
sec, Eval/s 15011.17303832523
UPDATING 3 4
End of RUN, master time 152.8427038192749 sec, Eval/s
15094.03420871088
CG processor 0 is finishing work.
CG processor 1 is finishing work.
CG processor 3 is finishing work.
CG processor 2 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= -200.13483
Emin= -200.13483
Emin= -200.13483
Emin= -200.13483
difference .00003 from reference emin -200.13486
difference .00003 from reference emin -200.13486
difference .00003 from reference emin -200.13486
difference .00003 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 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 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162827 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184665 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 203959 m 486 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 207308 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 226333 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 231937 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 234121 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 240643 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 258932 m 677 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 295924 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 314849 m 871 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 373535 m 1080 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 379132 m 1092 rms 2.65 %NC 53.3 ENERGY -1.92366E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 380781 m 1093 rms 3.03 %NC 46.7 ENERGY -1.92995E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 401321 m 1163 rms 2.06 %NC 46.7 ENERGY -1.96799E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 432102 m 1238 rms 2.06 %NC 46.7 ENERGY -1.96799E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 456894 m 1315 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 469990 m 1344 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 490202 m 1404 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 508249 m 1473 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 545149 m 1618 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 565878 m 1695 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 599325 m 1815 rms 3.49 %NC 46.7 ENERGY -1.99832E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 631299 m 1915 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 658199 m 1996 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 665529 m 2025 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 703996 m 2170 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 764116 m 2354 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 870783 m 2523 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 913499 m 2622 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 933421 m 2674 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 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162827 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184665 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 203959 m 486 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 207308 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 226333 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 231937 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 234121 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 240643 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 258932 m 677 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 295924 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 314849 m 871 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 373535 m 1080 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 379132 m 1092 rms 2.65 %NC 53.3 ENERGY -1.92366E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 380781 m 1093 rms 3.03 %NC 46.7 ENERGY -1.92995E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 401321 m 1163 rms 2.06 %NC 46.7 ENERGY -1.96799E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 432102 m 1238 rms 2.06 %NC 46.7 ENERGY -1.96799E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 456894 m 1315 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 469990 m 1344 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 490202 m 1404 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 508249 m 1473 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 545149 m 1618 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 565878 m 1695 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 599325 m 1815 rms 3.49 %NC 46.7 ENERGY -1.99832E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 631299 m 1915 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 658199 m 1996 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 665529 m 2025 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 703996 m 2170 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 764116 m 2354 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 870783 m 2523 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 913499 m 2622 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 933421 m 2674 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 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+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@016.pdb:REMARK GM 16 e 162827 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184665 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 203959 m 486 rms 2.13 %NC 60.0 ENERGY -1.91896E+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@019.pdb:REMARK GM 19 e 207308 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 226333 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 231937 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 234121 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 240643 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 258932 m 677 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@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 295924 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 314849 m 871 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 373535 m 1080 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 379132 m 1092 rms 2.65 %NC 53.3 ENERGY -1.92366E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 380781 m 1093 rms 3.03 %NC 46.7 ENERGY -1.92995E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 401321 m 1163 rms 2.06 %NC 46.7 ENERGY -1.96799E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162827 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 432102 m 1238 rms 2.06 %NC 46.7 ENERGY -1.96799E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184665 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 456894 m 1315 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 203959 m 486 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 469990 m 1344 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 490202 m 1404 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 207308 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 226333 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 508249 m 1473 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 231937 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 545149 m 1618 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 234121 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 565878 m 1695 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 240643 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 599325 m 1815 rms 3.49 %NC 46.7 ENERGY -1.99832E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 258932 m 677 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 631299 m 1915 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 295924 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 658199 m 1996 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 314849 m 871 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 665529 m 2025 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 373535 m 1080 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 703996 m 2170 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 379132 m 1092 rms 2.65 %NC 53.3 ENERGY -1.92366E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 764116 m 2354 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 380781 m 1093 rms 3.03 %NC 46.7 ENERGY -1.92995E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 870783 m 2523 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 401321 m 1163 rms 2.06 %NC 46.7 ENERGY -1.96799E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 432102 m 1238 rms 2.06 %NC 46.7 ENERGY -1.96799E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 913499 m 2622 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 456894 m 1315 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 933421 m 2674 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 469990 m 1344 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 490202 m 1404 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 508249 m 1473 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 545149 m 1618 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 565878 m 1695 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 599325 m 1815 rms 3.49 %NC 46.7 ENERGY -1.99832E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 631299 m 1915 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 658199 m 1996 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 665529 m 2025 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 703996 m 2170 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 764116 m 2354 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 870783 m 2523 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 913499 m 2622 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 933421 m 2674 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
