Saturday, September 21 2024 11:53:14
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 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= 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
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 2 0 0 ivec_start 1
ivec_end 21
Processor 3 0 0 ivec_start 1
ivec_end 21
Processor 1 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
[dell15:149283] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:149283] 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 65.29964685440063
End of minim, proc 1 time 65.30484199523926
End of cycle, master time for 46 iters 65.33438587188721
sec, Eval/s 13771.40058780521
End of minim, proc 2 time 65.33834815025330
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 84.51705288887024
End of minim, proc 2 time 84.51709103584290
End of minim, proc 1 time 84.55108404159546
End of cycle, master time for 12 iters 16.17094683647156
sec, Eval/s 15244.25270164258
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 122.4426100254059
End of minim, proc 1 time 122.4530658721924
End of minim, proc 3 time 122.4713048934937
End of cycle, master time for 26 iters 34.85088801383972
sec, Eval/s 15208.93814210738
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 158.5920019149780
End of minim, proc 2 time 158.5929131507874
End of cycle, master time for 25 iters 33.13995599746704
sec, Eval/s 15226.45353055291
End of minim, proc 3 time 158.5958919525146
UPDATING 3 4
End of RUN, master time 158.6005840301514 sec, Eval/s
14607.49980315056
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= -200.13486
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
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 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 107339 m 187 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 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 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204379 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207390 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226614 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232089 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234649 m 583 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240533 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 260375 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 299657 m 807 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 305554 m 825 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306738 m 830 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
difference 0 from reference emin -200.13486
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322570 m 885 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335090 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 362059 m 1001 rms 2.22 %NC 53.3 ENERGY -1.92181E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 363437 m 1008 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 384340 m 1076 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 391426 m 1098 rms 2.80 %NC 53.3 ENERGY -1.93239E+02
difference 0 from reference emin -200.13486
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 391902 m 1100 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 404099 m 1146 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 416791 m 1191 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 419473 m 1203 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 440488 m 1278 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 499357 m 1489 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 518667 m 1561 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 531306 m 1602 rms 2.13 %NC 53.3 ENERGY -1.99439E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 557704 m 1690 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 565541 m 1714 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 596366 m 1802 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 597554 m 1811 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 617077 m 1872 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 636694 m 1943 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 643024 m 1961 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 669200 m 2037 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 676558 m 2066 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 695221 m 2135 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 752581 m 2318 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 772320 m 2368 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 885284 m 2771 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@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+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@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+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@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@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+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@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+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@005.pdb:REMARK GM 5 e 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+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@010.pdb:REMARK GM 10 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+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@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+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@007.pdb:REMARK GM 7 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+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@008.pdb:REMARK GM 8 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+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@006.pdb:REMARK GM 6 e 77537 m 79 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@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+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@010.pdb:REMARK GM 10 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+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@008.pdb:REMARK GM 8 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+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@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+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@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+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@010.pdb:REMARK GM 10 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+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@017.pdb:REMARK GM 17 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+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@014.pdb:REMARK GM 14 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+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@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204379 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+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@016.pdb:REMARK GM 16 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207390 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+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@017.pdb:REMARK GM 17 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226614 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@018.pdb:REMARK GM 18 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232089 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@019.pdb:REMARK GM 19 e 204379 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207390 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234649 m 583 rms 2.13 %NC 60.0 ENERGY -1.91902E+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 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226614 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240533 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232089 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204379 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 260375 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234649 m 583 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207390 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 299657 m 807 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226614 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240533 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 260375 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 305554 m 825 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232089 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306738 m 830 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 299657 m 807 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234649 m 583 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240533 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322570 m 885 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 305554 m 825 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 260375 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335090 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306738 m 830 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 299657 m 807 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322570 m 885 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 362059 m 1001 rms 2.22 %NC 53.3 ENERGY -1.92181E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 363437 m 1008 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335090 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 305554 m 825 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306738 m 830 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 384340 m 1076 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 362059 m 1001 rms 2.22 %NC 53.3 ENERGY -1.92181E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 363437 m 1008 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322570 m 885 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 391426 m 1098 rms 2.80 %NC 53.3 ENERGY -1.93239E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 384340 m 1076 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335090 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 391902 m 1100 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 391426 m 1098 rms 2.80 %NC 53.3 ENERGY -1.93239E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 362059 m 1001 rms 2.22 %NC 53.3 ENERGY -1.92181E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 404099 m 1146 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 391902 m 1100 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 416791 m 1191 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 363437 m 1008 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 404099 m 1146 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 384340 m 1076 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 419473 m 1203 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 416791 m 1191 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 440488 m 1278 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 391426 m 1098 rms 2.80 %NC 53.3 ENERGY -1.93239E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 419473 m 1203 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 391902 m 1100 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 499357 m 1489 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 440488 m 1278 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 404099 m 1146 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 518667 m 1561 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 499357 m 1489 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 416791 m 1191 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 518667 m 1561 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 531306 m 1602 rms 2.13 %NC 53.3 ENERGY -1.99439E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 419473 m 1203 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 557704 m 1690 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 531306 m 1602 rms 2.13 %NC 53.3 ENERGY -1.99439E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 440488 m 1278 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 557704 m 1690 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 565541 m 1714 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 596366 m 1802 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 499357 m 1489 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 565541 m 1714 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 596366 m 1802 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 597554 m 1811 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 518667 m 1561 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 531306 m 1602 rms 2.13 %NC 53.3 ENERGY -1.99439E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 597554 m 1811 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 617077 m 1872 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 557704 m 1690 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 617077 m 1872 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 636694 m 1943 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 636694 m 1943 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 565541 m 1714 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 643024 m 1961 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 596366 m 1802 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 643024 m 1961 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 669200 m 2037 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 669200 m 2037 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 597554 m 1811 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 676558 m 2066 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 617077 m 1872 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 676558 m 2066 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 695221 m 2135 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 695221 m 2135 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 636694 m 1943 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 752581 m 2318 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 752581 m 2318 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 643024 m 1961 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 669200 m 2037 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 772320 m 2368 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 772320 m 2368 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 676558 m 2066 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 885284 m 2771 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 885284 m 2771 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 695221 m 2135 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 752581 m 2318 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 772320 m 2368 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 885284 m 2771 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
