Thursday, September 19 2024 11:59:40
UNRES
168.46s
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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
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
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= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
ns= 0
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
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
Processor 1 0 0 ivec_start 1
ivec_end 21
Processor 3 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
[dell15:119011] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:119011] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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End of minim, proc 1 time 49.17082405090332
End of minim, proc 3 time 49.17588496208191
End of cycle, master time for 35 iters 49.17618107795715
sec, Eval/s 13503.48858825183
End of minim, proc 2 time 49.18019008636475
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 78.53991699218750
End of minim, proc 2 time 78.53994417190552
End of cycle, master time for 17 iters 26.05617189407349
sec, Eval/s 13545.23609357505
End of minim, proc 3 time 78.56190991401672
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 114.0227808952332
End of minim, proc 3 time 114.0228059291840
End of cycle, master time for 21 iters 32.09366488456726
sec, Eval/s 13561.08757181187
End of minim, proc 2 time 114.0751349925995
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 165.0163760185242
End of minim, proc 3 time 165.0163989067078
End of cycle, master time for 32 iters 47.63959503173828
sec, Eval/s 13582.65114489134
End of minim, proc 2 time 165.0315151214600
UPDATING 3 4
End of RUN, master time 165.0360879898071 sec, Eval/s
13543.29848231767
CG processor 1 is finishing work.
CG processor 3 is finishing work.
CG processor 2 is finishing work.
CG processor 0 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 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64906 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77176 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 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 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93704 m 137 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 163998 m 360 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192291 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192622 m 446 rms 2.92 %NC 46.7 ENERGY -1.91683E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 194574 m 452 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 201516 m 479 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 211609 m 504 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 215497 m 520 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 219881 m 531 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 249394 m 624 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 268695 m 694 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 276390 m 715 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 296837 m 787 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 315515 m 848 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 342943 m 943 rms 2.30 %NC 46.7 ENERGY -1.97764E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 356185 m 987 rms 2.31 %NC 46.7 ENERGY -1.97764E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 367782 m 1026 rms 2.55 %NC 46.7 ENERGY -1.99017E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 377872 m 1060 rms 2.55 %NC 46.7 ENERGY -1.99018E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 378253 m 1062 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 390674 m 1102 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 410184 m 1171 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 435656 m 1255 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 482989 m 1411 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 497531 m 1457 rms 2.50 %NC 46.7 ENERGY -1.99024E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 594626 m 1762 rms 2.50 %NC 46.7 ENERGY -1.99024E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 607364 m 1809 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 616373 m 1836 rms 2.22 %NC 53.3 ENERGY -1.99085E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 624612 m 1864 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 632988 m 1886 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 646604 m 1933 rms 2.13 %NC 53.3 ENERGY -1.99552E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 655051 m 1967 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 693934 m 2117 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 776176 m 2226 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 777347 m 2235 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 818410 m 2351 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 839474 m 2403 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 1079048 m 3022 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 1106429 m 3097 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 1174666 m 3151 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 1195028 m 3209 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 1215706 m 3249 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 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64906 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77176 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 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 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93704 m 137 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 163998 m 360 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192291 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192622 m 446 rms 2.92 %NC 46.7 ENERGY -1.91683E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 194574 m 452 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 201516 m 479 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 211609 m 504 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 215497 m 520 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 219881 m 531 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 249394 m 624 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 268695 m 694 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 276390 m 715 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 296837 m 787 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 315515 m 848 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 342943 m 943 rms 2.30 %NC 46.7 ENERGY -1.97764E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 356185 m 987 rms 2.31 %NC 46.7 ENERGY -1.97764E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 367782 m 1026 rms 2.55 %NC 46.7 ENERGY -1.99017E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 377872 m 1060 rms 2.55 %NC 46.7 ENERGY -1.99018E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 378253 m 1062 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 390674 m 1102 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 410184 m 1171 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 435656 m 1255 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 482989 m 1411 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 497531 m 1457 rms 2.50 %NC 46.7 ENERGY -1.99024E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 594626 m 1762 rms 2.50 %NC 46.7 ENERGY -1.99024E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 607364 m 1809 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 616373 m 1836 rms 2.22 %NC 53.3 ENERGY -1.99085E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 624612 m 1864 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 632988 m 1886 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 646604 m 1933 rms 2.13 %NC 53.3 ENERGY -1.99552E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 655051 m 1967 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 693934 m 2117 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 776176 m 2226 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 777347 m 2235 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 818410 m 2351 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 839474 m 2403 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 1079048 m 3022 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 1106429 m 3097 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 1174666 m 3151 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 1195028 m 3209 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 1215706 m 3249 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 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64906 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77176 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 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 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93704 m 137 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 163998 m 360 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192291 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192622 m 446 rms 2.92 %NC 46.7 ENERGY -1.91683E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 194574 m 452 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 201516 m 479 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 211609 m 504 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 215497 m 520 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 219881 m 531 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 249394 m 624 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 268695 m 694 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 276390 m 715 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 296837 m 787 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 315515 m 848 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 342943 m 943 rms 2.30 %NC 46.7 ENERGY -1.97764E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 356185 m 987 rms 2.31 %NC 46.7 ENERGY -1.97764E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 367782 m 1026 rms 2.55 %NC 46.7 ENERGY -1.99017E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 377872 m 1060 rms 2.55 %NC 46.7 ENERGY -1.99018E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 378253 m 1062 rms 2.55 %NC 46.7 ENERGY -1.99019E+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@035.pdb:REMARK GM 35 e 390674 m 1102 rms 2.55 %NC 46.7 ENERGY -1.99019E+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@036.pdb:REMARK GM 36 e 410184 m 1171 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 435656 m 1255 rms 2.55 %NC 46.7 ENERGY -1.99019E+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@038.pdb:REMARK GM 38 e 482989 m 1411 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 497531 m 1457 rms 2.50 %NC 46.7 ENERGY -1.99024E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64906 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 594626 m 1762 rms 2.50 %NC 46.7 ENERGY -1.99024E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77176 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 607364 m 1809 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 616373 m 1836 rms 2.22 %NC 53.3 ENERGY -1.99085E+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 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 624612 m 1864 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93704 m 137 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 632988 m 1886 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 646604 m 1933 rms 2.13 %NC 53.3 ENERGY -1.99552E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 655051 m 1967 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 693934 m 2117 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 776176 m 2226 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 777347 m 2235 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 818410 m 2351 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 163998 m 360 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 839474 m 2403 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192291 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 1079048 m 3022 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192622 m 446 rms 2.92 %NC 46.7 ENERGY -1.91683E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 1106429 m 3097 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 194574 m 452 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 1174666 m 3151 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 201516 m 479 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 1195028 m 3209 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 211609 m 504 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 1215706 m 3249 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 215497 m 520 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 219881 m 531 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 249394 m 624 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 268695 m 694 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 276390 m 715 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 296837 m 787 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 315515 m 848 rms 2.52 %NC 46.7 ENERGY -1.95741E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 342943 m 943 rms 2.30 %NC 46.7 ENERGY -1.97764E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 356185 m 987 rms 2.31 %NC 46.7 ENERGY -1.97764E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 367782 m 1026 rms 2.55 %NC 46.7 ENERGY -1.99017E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 377872 m 1060 rms 2.55 %NC 46.7 ENERGY -1.99018E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 378253 m 1062 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 390674 m 1102 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 410184 m 1171 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 435656 m 1255 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 482989 m 1411 rms 2.55 %NC 46.7 ENERGY -1.99019E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 497531 m 1457 rms 2.50 %NC 46.7 ENERGY -1.99024E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 594626 m 1762 rms 2.50 %NC 46.7 ENERGY -1.99024E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 607364 m 1809 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 616373 m 1836 rms 2.22 %NC 53.3 ENERGY -1.99085E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 624612 m 1864 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 632988 m 1886 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 646604 m 1933 rms 2.13 %NC 53.3 ENERGY -1.99552E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 655051 m 1967 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 693934 m 2117 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 776176 m 2226 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 777347 m 2235 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 818410 m 2351 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 839474 m 2403 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 1079048 m 3022 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 1106429 m 3097 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 1174666 m 3151 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 1195028 m 3209 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 1215706 m 3249 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
