Friday, September 27 2024 17:25:43
UNRES
167.32s
Show Command Line
Show Test Time Graph
Show Failing/Passing Graph
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 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
Inside initializeInside initializeInside initializeInside initialize MPI: node= 2 iseed= -9179228
MPI: node= 1 iseed= -6119485
MPI: node= 0 iseed= -3059742
MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Call Read_Bridge.
Call Read_Bridge.
ns= 0
ns= 0
Processor 2 0 0 ivec_start 1
ivec_end 21
Processor 1 0 0 ivec_start 1
ivec_end 21
Processor 3 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
[dell15:68988] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:68988] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 59.07476305961609
End of minim, proc 1 time 59.07476091384888
End of cycle, master time for 45 iters 59.07768201828003
sec, Eval/s 14752.03444390950
End of minim, proc 3 time 59.08161306381226
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 111.0816159248352
End of cycle, master time for 29 iters 49.03700184822083
sec, Eval/s 11977.68986403296
End of minim, proc 3 time 111.0816450119019
End of minim, proc 2 time 111.0816850662231
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 3 time 145.5555660724640
End of minim, proc 1 time 145.5555908679962
End of minim, proc 2 time 145.5807721614838
End of cycle, master time for 23 iters 30.67260313034058
sec, Eval/s 15101.00065624450
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 164.1443841457367
End of minim, proc 3 time 164.1443901062012
End of cycle, master time for 12 iters 15.59720087051392
sec, Eval/s 15203.24075894182
End of minim, proc 1 time 164.1444079875946
UPDATING 3 4
End of RUN, master time 164.1500790119171 sec, Eval/s
13981.29086391353
CG processor 3 is finishing work.
CG processor 0 is finishing work.
CG processor 1 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= -200.13487
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 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 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77537 m 79 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 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 153903 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192116 m 456 rms 2.13 %NC 53.3 ENERGY -1.99445E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 217151 m 538 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 255774 m 671 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 260826 m 696 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 281439 m 766 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 362832 m 1035 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 393006 m 1139 rms 3.26 %NC 46.7 ENERGY -1.99473E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 401540 m 1177 rms 3.26 %NC 46.7 ENERGY -1.99590E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 409433 m 1208 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 432288 m 1284 rms 3.39 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 460540 m 1393 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 498220 m 1539 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 535765 m 1678 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 561474 m 1768 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 574189 m 1814 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 629843 m 1999 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 650563 m 2059 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 688994 m 2199 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 707061 m 2273 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 708539 m 2285 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 751186 m 2432 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 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77537 m 79 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 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 153903 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192116 m 456 rms 2.13 %NC 53.3 ENERGY -1.99445E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 217151 m 538 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 255774 m 671 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 260826 m 696 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 281439 m 766 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 362832 m 1035 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 393006 m 1139 rms 3.26 %NC 46.7 ENERGY -1.99473E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 401540 m 1177 rms 3.26 %NC 46.7 ENERGY -1.99590E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 409433 m 1208 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 432288 m 1284 rms 3.39 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 460540 m 1393 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 498220 m 1539 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 535765 m 1678 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 561474 m 1768 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 574189 m 1814 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 629843 m 1999 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 650563 m 2059 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 688994 m 2199 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 707061 m 2273 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 708539 m 2285 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 751186 m 2432 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 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77537 m 79 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@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+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@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@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+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@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+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@006.pdb:REMARK GM 6 e 77537 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153903 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+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@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+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@016.pdb:REMARK GM 16 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+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@017.pdb:REMARK GM 17 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+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@018.pdb:REMARK GM 18 e 192116 m 456 rms 2.13 %NC 53.3 ENERGY -1.99445E+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@019.pdb:REMARK GM 19 e 217151 m 538 rms 2.13 %NC 53.3 ENERGY -1.99448E+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@020.pdb:REMARK GM 20 e 255774 m 671 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 260826 m 696 rms 2.13 %NC 53.3 ENERGY -1.99448E+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@022.pdb:REMARK GM 22 e 281439 m 766 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153903 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 362832 m 1035 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 393006 m 1139 rms 3.26 %NC 46.7 ENERGY -1.99473E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 401540 m 1177 rms 3.26 %NC 46.7 ENERGY -1.99590E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 409433 m 1208 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192116 m 456 rms 2.13 %NC 53.3 ENERGY -1.99445E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 432288 m 1284 rms 3.39 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 217151 m 538 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 460540 m 1393 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 255774 m 671 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 498220 m 1539 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 260826 m 696 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 535765 m 1678 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 281439 m 766 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 561474 m 1768 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 362832 m 1035 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 574189 m 1814 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 393006 m 1139 rms 3.26 %NC 46.7 ENERGY -1.99473E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 401540 m 1177 rms 3.26 %NC 46.7 ENERGY -1.99590E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 629843 m 1999 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 409433 m 1208 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 650563 m 2059 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 432288 m 1284 rms 3.39 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 688994 m 2199 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 460540 m 1393 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 707061 m 2273 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 498220 m 1539 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 708539 m 2285 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 535765 m 1678 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 751186 m 2432 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 561474 m 1768 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 574189 m 1814 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 629843 m 1999 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 650563 m 2059 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 688994 m 2199 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 707061 m 2273 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 708539 m 2285 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 751186 m 2432 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
