Wednesday, June 26 2024 01:34:46
UNRES
149.80s
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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
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 0 out of 4 rank in CG_COMM 0
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 2 out of 4 rank in CG_COMM 2
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Inside initializeInside initializeInside initializeInside initialize MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1
ivec_end 21
Processor 1 0 0 ivec_start 1
ivec_end 21
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
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:153802] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:153802] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 97 97
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End of minim, proc 1 time 34.44664216041565
End of minim, proc 3 time 34.44667887687683
End of minim, proc 2 time 34.44973587989807
End of cycle, master time for 26 iters 34.44255995750427
sec, Eval/s 14479.38250279050
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 73.06943893432617
End of minim, proc 1 time 73.07864117622375
End of minim, proc 3 time 73.09660887718201
End of cycle, master time for 27 iters 35.63766217231750
sec, Eval/s 15155.53959147026
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 106.2452299594879
End of minim, proc 1 time 106.2599790096283
End of minim, proc 2 time 106.2735929489136
End of cycle, master time for 23 iters 30.13282299041748
sec, Eval/s 15268.89797701047
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 146.0581731796265
End of minim, proc 2 time 146.0581970214844
End of minim, proc 3 time 146.0587689876556
End of cycle, master time for 28 iters 36.80546998977661
sec, Eval/s 15258.41132190386
UPDATING 3 4
End of RUN, master time 146.0601639747620 sec, Eval/s
15037.31024415057
CG processor 0 is finishing work.
CG processor 2 is finishing work.
CG processor 3 is finishing work.
CG processor 1 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin= -200.13482
Emin= -200.13482
Emin= -200.13482
Emin= -200.13482
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5204 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 19250 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 64906 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 107153 m 186 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 144407 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 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164453 m 363 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 194726 m 451 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 219947 m 525 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 260451 m 646 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 278921 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 316041 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 321998 m 848 rms 2.24 %NC 46.7 ENERGY -1.98811E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 355448 m 909 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 394002 m 1034 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 416491 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 433055 m 1172 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 449728 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 482626 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 504189 m 1428 rms 3.44 %NC 46.7 ENERGY -1.99817E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 517210 m 1466 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 521047 m 1477 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 524334 m 1492 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 543680 m 1562 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 610489 m 1629 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 648493 m 1752 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 689358 m 1866 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 798596 m 2182 rms 3.49 %NC 46.7 ENERGY -1.99835E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 810675 m 2214 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 827488 m 2267 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 827898 m 2269 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 831618 m 2279 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 833052 m 2288 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1050647 m 2882 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1089409 m 3010 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1110722 m 3074 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1128487 m 3138 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 1196612 m 3198 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5204 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 19250 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 64906 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 107153 m 186 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 144407 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 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164453 m 363 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 194726 m 451 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 219947 m 525 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 260451 m 646 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 278921 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 316041 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 321998 m 848 rms 2.24 %NC 46.7 ENERGY -1.98811E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 355448 m 909 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 394002 m 1034 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5204 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 416491 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 433055 m 1172 rms 3.33 %NC 46.7 ENERGY -1.99797E+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@031.pdb:REMARK GM 31 e 449728 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 482626 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+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@033.pdb:REMARK GM 33 e 504189 m 1428 rms 3.44 %NC 46.7 ENERGY -1.99817E+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@034.pdb:REMARK GM 34 e 517210 m 1466 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 521047 m 1477 rms 3.44 %NC 46.7 ENERGY -1.99819E+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@036.pdb:REMARK GM 36 e 524334 m 1492 rms 3.44 %NC 46.7 ENERGY -1.99819E+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@037.pdb:REMARK GM 37 e 543680 m 1562 rms 3.44 %NC 46.7 ENERGY -1.99819E+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@038.pdb:REMARK GM 38 e 610489 m 1629 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 648493 m 1752 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5204 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 689358 m 1866 rms 3.44 %NC 46.7 ENERGY -1.99819E+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@041.pdb:REMARK GM 41 e 798596 m 2182 rms 3.49 %NC 46.7 ENERGY -1.99835E+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@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 19250 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@011.pdb:REMARK GM 11 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 810675 m 2214 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 827488 m 2267 rms 3.39 %NC 46.7 ENERGY -2.00134E+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 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+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@044.pdb:REMARK GM 44 e 827898 m 2269 rms 3.38 %NC 46.7 ENERGY -2.00134E+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@045.pdb:REMARK GM 45 e 831618 m 2279 rms 3.38 %NC 46.7 ENERGY -2.00135E+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 144407 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+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@046.pdb:REMARK GM 46 e 833052 m 2288 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1050647 m 2882 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1089409 m 3010 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1110722 m 3074 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@017.pdb:REMARK GM 17 e 164453 m 363 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1128487 m 3138 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 1196612 m 3198 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@018.pdb:REMARK GM 18 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144407 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 194726 m 451 rms 2.51 %NC 46.7 ENERGY -1.94878E+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 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164453 m 363 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 219947 m 525 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 194726 m 451 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 260451 m 646 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 219947 m 525 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 278921 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 316041 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 260451 m 646 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 278921 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 316041 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 321998 m 848 rms 2.24 %NC 46.7 ENERGY -1.98811E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 321998 m 848 rms 2.24 %NC 46.7 ENERGY -1.98811E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 355448 m 909 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 355448 m 909 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 394002 m 1034 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 394002 m 1034 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 416491 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 416491 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 433055 m 1172 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 433055 m 1172 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 449728 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 449728 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 482626 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 482626 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 504189 m 1428 rms 3.44 %NC 46.7 ENERGY -1.99817E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 517210 m 1466 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 504189 m 1428 rms 3.44 %NC 46.7 ENERGY -1.99817E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 521047 m 1477 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 517210 m 1466 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 524334 m 1492 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 521047 m 1477 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 543680 m 1562 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 524334 m 1492 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 610489 m 1629 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 543680 m 1562 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 648493 m 1752 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 610489 m 1629 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 689358 m 1866 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 798596 m 2182 rms 3.49 %NC 46.7 ENERGY -1.99835E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 648493 m 1752 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 810675 m 2214 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 827488 m 2267 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 689358 m 1866 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 827898 m 2269 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 798596 m 2182 rms 3.49 %NC 46.7 ENERGY -1.99835E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 831618 m 2279 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 810675 m 2214 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 833052 m 2288 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 827488 m 2267 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1050647 m 2882 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 827898 m 2269 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1089409 m 3010 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 831618 m 2279 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1110722 m 3074 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 833052 m 2288 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1128487 m 3138 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 1196612 m 3198 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1050647 m 2882 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1089409 m 3010 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1110722 m 3074 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1128487 m 3138 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 1196612 m 3198 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
