Tuesday, September 17 2024 19:20:41
UNRES
195.46s
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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
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
0 size of FG_COMM1 1
Inside initializeInside initializeInside initializeInside initialize MPI: node= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
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
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
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:138815] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:138815] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 97 97
UPDATING 100 100
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End of minim, proc 2 time 51.29782605171204
End of minim, proc 3 time 51.30236005783081
End of cycle, master time for 30 iters 51.29948210716248
sec, Eval/s 11248.63207769951
End of minim, proc 1 time 51.30335903167725
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 91.32213091850281
End of minim, proc 3 time 91.35549616813660
End of cycle, master time for 20 iters 36.02362203598022
sec, Eval/s 11263.80350078973
End of minim, proc 1 time 91.37799310684204
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 133.2853369712830
End of minim, proc 2 time 133.2935659885406
End of cycle, master time for 21 iters 37.82558298110962
sec, Eval/s 11244.34751507756
End of minim, proc 3 time 133.2978169918060
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 190.9709260463715
End of minim, proc 1 time 190.9790170192719
End of cycle, master time for 30 iters 53.70498299598694
sec, Eval/s 11261.02209259039
End of minim, proc 3 time 190.9838860034943
UPDATING 3 4
End of RUN, master time 190.9886789321899 sec, Eval/s
11250.70874364711
CG processor 2 is finishing work.
CG processor 0 is finishing work.
CG processor 1 is finishing work.
CG processor 3 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= -200.13480
Emin= -200.13480
Emin= -200.13480
Emin= -200.13480
difference .00006 from reference emin -200.13486
difference .00006 from reference emin -200.13486
difference .00006 from reference emin -200.13486
difference .00006 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4675 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 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 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 133618 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144113 m 295 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153817 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161131 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 167751 m 372 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 198030 m 477 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 206544 m 506 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 228192 m 573 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235823 m 596 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 255483 m 665 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 263620 m 675 rms 2.65 %NC 53.3 ENERGY -1.92365E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 281227 m 710 rms 2.65 %NC 53.3 ENERGY -1.92366E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 289822 m 728 rms 2.32 %NC 46.7 ENERGY -1.92398E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 297969 m 753 rms 2.32 %NC 46.7 ENERGY -1.92670E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 299174 m 757 rms 2.33 %NC 46.7 ENERGY -1.93068E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 317587 m 797 rms 2.34 %NC 46.7 ENERGY -1.93235E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 325264 m 820 rms 3.42 %NC 46.7 ENERGY -1.95160E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 349797 m 881 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 361209 m 914 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 377338 m 955 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 416028 m 1073 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 452112 m 1212 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 529233 m 1476 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 529880 m 1480 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 593183 m 1694 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 621896 m 1798 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 688045 m 1870 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 728057 m 1969 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 748796 m 2013 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 881690 m 2377 rms 3.38 %NC 46.7 ENERGY -2.00131E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 904540 m 2451 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 908253 m 2467 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 911702 m 2478 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1030304 m 2810 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1141390 m 2966 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1163171 m 3020 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1184402 m 3070 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1543936 m 3946 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 1633112 m 4065 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4675 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 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 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 133618 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144113 m 295 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153817 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161131 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 167751 m 372 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 198030 m 477 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 206544 m 506 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 228192 m 573 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235823 m 596 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 255483 m 665 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 263620 m 675 rms 2.65 %NC 53.3 ENERGY -1.92365E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 281227 m 710 rms 2.65 %NC 53.3 ENERGY -1.92366E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 289822 m 728 rms 2.32 %NC 46.7 ENERGY -1.92398E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 297969 m 753 rms 2.32 %NC 46.7 ENERGY -1.92670E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 299174 m 757 rms 2.33 %NC 46.7 ENERGY -1.93068E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 317587 m 797 rms 2.34 %NC 46.7 ENERGY -1.93235E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 325264 m 820 rms 3.42 %NC 46.7 ENERGY -1.95160E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 349797 m 881 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 361209 m 914 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 377338 m 955 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 416028 m 1073 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 452112 m 1212 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 529233 m 1476 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 529880 m 1480 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 593183 m 1694 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 621896 m 1798 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 688045 m 1870 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 728057 m 1969 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 748796 m 2013 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 881690 m 2377 rms 3.38 %NC 46.7 ENERGY -2.00131E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 904540 m 2451 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 908253 m 2467 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 911702 m 2478 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1030304 m 2810 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1141390 m 2966 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1163171 m 3020 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1184402 m 3070 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1543936 m 3946 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 1633112 m 4065 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4675 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 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 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 133618 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144113 m 295 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153817 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161131 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 167751 m 372 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 198030 m 477 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 206544 m 506 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 228192 m 573 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235823 m 596 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 255483 m 665 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 263620 m 675 rms 2.65 %NC 53.3 ENERGY -1.92365E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 281227 m 710 rms 2.65 %NC 53.3 ENERGY -1.92366E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 289822 m 728 rms 2.32 %NC 46.7 ENERGY -1.92398E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 297969 m 753 rms 2.32 %NC 46.7 ENERGY -1.92670E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 299174 m 757 rms 2.33 %NC 46.7 ENERGY -1.93068E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 317587 m 797 rms 2.34 %NC 46.7 ENERGY -1.93235E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 325264 m 820 rms 3.42 %NC 46.7 ENERGY -1.95160E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 349797 m 881 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 361209 m 914 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 377338 m 955 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 416028 m 1073 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 452112 m 1212 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 529233 m 1476 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 529880 m 1480 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 593183 m 1694 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 621896 m 1798 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 688045 m 1870 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 728057 m 1969 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 748796 m 2013 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 881690 m 2377 rms 3.38 %NC 46.7 ENERGY -2.00131E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 904540 m 2451 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 908253 m 2467 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 911702 m 2478 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1030304 m 2810 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1141390 m 2966 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1163171 m 3020 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1184402 m 3070 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1543936 m 3946 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 1633112 m 4065 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4675 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 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 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 133618 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144113 m 295 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153817 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161131 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 167751 m 372 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 198030 m 477 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 206544 m 506 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 228192 m 573 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235823 m 596 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 255483 m 665 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 263620 m 675 rms 2.65 %NC 53.3 ENERGY -1.92365E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 281227 m 710 rms 2.65 %NC 53.3 ENERGY -1.92366E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 289822 m 728 rms 2.32 %NC 46.7 ENERGY -1.92398E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 297969 m 753 rms 2.32 %NC 46.7 ENERGY -1.92670E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 299174 m 757 rms 2.33 %NC 46.7 ENERGY -1.93068E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 317587 m 797 rms 2.34 %NC 46.7 ENERGY -1.93235E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 325264 m 820 rms 3.42 %NC 46.7 ENERGY -1.95160E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 349797 m 881 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 361209 m 914 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 377338 m 955 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 416028 m 1073 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 452112 m 1212 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 529233 m 1476 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 529880 m 1480 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 593183 m 1694 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 621896 m 1798 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 688045 m 1870 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 728057 m 1969 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 748796 m 2013 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 881690 m 2377 rms 3.38 %NC 46.7 ENERGY -2.00131E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 904540 m 2451 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 908253 m 2467 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 911702 m 2478 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1030304 m 2810 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1141390 m 2966 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1163171 m 3020 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1184402 m 3070 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1543936 m 3946 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 1633112 m 4065 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
