Friday, September 20 2024 06:40:38
UNRES
188.26s
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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 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
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
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= 0 iseed= -3059742
MPI: node= 2 iseed= -9179228
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
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
[dell15:140567] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:140567] 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 47.24711608886719
End of minim, proc 3 time 47.27864289283752
End of cycle, master time for 30 iters 47.23686981201172
sec, Eval/s 12417.31305089244
End of minim, proc 1 time 47.28137183189392
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 82.96805286407471
End of minim, proc 2 time 82.96810698509216
End of cycle, master time for 19 iters 31.94657206535339
sec, Eval/s 12123.30384642524
End of minim, proc 1 time 82.97546100616455
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 130.8267328739166
End of minim, proc 2 time 130.8267831802368
End of minim, proc 1 time 130.8268198966980
End of cycle, master time for 26 iters 43.82629323005676
sec, Eval/s 12138.30695668238
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 184.6463108062744
End of minim, proc 2 time 184.6463541984558
End of cycle, master time for 30 iters 49.96646499633789
sec, Eval/s 12108.64126658436
End of minim, proc 1 time 184.6498358249664
UPDATING 3 4
End of RUN, master time 184.6637117862701 sec, Eval/s
12166.46724073400
CG processor 2 is finishing work.
CG processor 0 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= -200.13478
Emin= -200.13478
Emin= -200.13478
Emin= -200.13478
difference .00008 from reference emin -200.13486
difference .00008 from reference emin -200.13486
difference .00008 from reference emin -200.13486
difference .00008 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 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 134562 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149192 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 163756 m 361 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 181287 m 421 rms 2.13 %NC 53.3 ENERGY -1.91933E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194122 m 458 rms 2.31 %NC 46.7 ENERGY -1.97712E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204975 m 494 rms 2.29 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 217498 m 529 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 227157 m 568 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 239743 m 601 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 275099 m 699 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 291031 m 741 rms 2.56 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 299767 m 766 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 416084 m 1124 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 435787 m 1194 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 446566 m 1229 rms 3.38 %NC 46.7 ENERGY -1.99986E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 465289 m 1294 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 472705 m 1317 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 487018 m 1363 rms 3.39 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 494666 m 1389 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 514169 m 1458 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 524777 m 1486 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 546342 m 1569 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 553664 m 1591 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 572579 m 1650 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 593371 m 1717 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 611898 m 1779 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 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 134562 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149192 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 163756 m 361 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 181287 m 421 rms 2.13 %NC 53.3 ENERGY -1.91933E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194122 m 458 rms 2.31 %NC 46.7 ENERGY -1.97712E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204975 m 494 rms 2.29 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 217498 m 529 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 227157 m 568 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 239743 m 601 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 275099 m 699 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 291031 m 741 rms 2.56 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 299767 m 766 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 416084 m 1124 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 435787 m 1194 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 446566 m 1229 rms 3.38 %NC 46.7 ENERGY -1.99986E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 465289 m 1294 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 472705 m 1317 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 487018 m 1363 rms 3.39 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 494666 m 1389 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 514169 m 1458 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 524777 m 1486 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 546342 m 1569 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 553664 m 1591 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 572579 m 1650 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 593371 m 1717 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 611898 m 1779 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 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 134562 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149192 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 163756 m 361 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 181287 m 421 rms 2.13 %NC 53.3 ENERGY -1.91933E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194122 m 458 rms 2.31 %NC 46.7 ENERGY -1.97712E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204975 m 494 rms 2.29 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 217498 m 529 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 227157 m 568 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 239743 m 601 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 275099 m 699 rms 2.55 %NC 46.7 ENERGY -1.99072E+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@024.pdb:REMARK GM 24 e 291031 m 741 rms 2.56 %NC 46.7 ENERGY -1.99072E+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@025.pdb:REMARK GM 25 e 299767 m 766 rms 2.55 %NC 46.7 ENERGY -1.99072E+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@026.pdb:REMARK GM 26 e 416084 m 1124 rms 2.55 %NC 46.7 ENERGY -1.99072E+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@027.pdb:REMARK GM 27 e 435787 m 1194 rms 2.55 %NC 46.7 ENERGY -1.99072E+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@028.pdb:REMARK GM 28 e 446566 m 1229 rms 3.38 %NC 46.7 ENERGY -1.99986E+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@029.pdb:REMARK GM 29 e 465289 m 1294 rms 3.38 %NC 46.7 ENERGY -1.99987E+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@030.pdb:REMARK GM 30 e 472705 m 1317 rms 3.38 %NC 46.7 ENERGY -1.99987E+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@031.pdb:REMARK GM 31 e 487018 m 1363 rms 3.39 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 494666 m 1389 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 134562 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 514169 m 1458 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149192 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@034.pdb:REMARK GM 34 e 524777 m 1486 rms 3.38 %NC 46.7 ENERGY -2.00134E+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@035.pdb:REMARK GM 35 e 546342 m 1569 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 163756 m 361 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 553664 m 1591 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 181287 m 421 rms 2.13 %NC 53.3 ENERGY -1.91933E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 572579 m 1650 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194122 m 458 rms 2.31 %NC 46.7 ENERGY -1.97712E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204975 m 494 rms 2.29 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 593371 m 1717 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 217498 m 529 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 611898 m 1779 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 227157 m 568 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 239743 m 601 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 275099 m 699 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 291031 m 741 rms 2.56 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 299767 m 766 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 416084 m 1124 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 435787 m 1194 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 446566 m 1229 rms 3.38 %NC 46.7 ENERGY -1.99986E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 465289 m 1294 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 472705 m 1317 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 487018 m 1363 rms 3.39 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 494666 m 1389 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 514169 m 1458 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 524777 m 1486 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 546342 m 1569 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 553664 m 1591 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 572579 m 1650 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 593371 m 1717 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 611898 m 1779 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
