Saturday, September 21 2024 10:48:11
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 0 out of 4 rank in CG_COMM 0
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 3 out of 4 rank in CG_COMM 3
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
Processor 1 out of 4 rank in CG_COMM 1
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
0 size of FG_COMM1 1
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
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
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
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
UPDATING 97 97
[dell15:104757] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:104757] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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End of minim, proc 2 time 38.61448311805725
End of minim, proc 3 time 38.61648297309875
End of cycle, master time for 30 iters 38.61803507804871
sec, Eval/s 15118.29897145301
End of minim, proc 1 time 38.62214303016663
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 73.36801099777222
End of cycle, master time for 24 iters 31.78181982040405
End of minim, proc 2 time 73.36803293228149
sec, Eval/s 15335.24520477896
End of minim, proc 3 time 73.36804604530334
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 104.4307868480682
End of minim, proc 2 time 104.4308099746704
End of cycle, master time for 21 iters 28.04090189933777
sec, Eval/s 15299.47223310003
End of minim, proc 1 time 104.4408609867096
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 147.7323081493378
End of cycle, master time for 32 iters 40.31824803352356
sec, Eval/s 15310.13945563184
End of minim, proc 3 time 147.7323288917542
End of minim, proc 2 time 147.7323510646820
UPDATING 3 4
End of RUN, master time 147.7368271350861 sec, Eval/s
15252.52060503233
CG processor 3 is finishing work.
CG processor 1 is finishing work.
CG processor 0 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= -200.13484
Emin= -200.13484
Emin= -200.13484
Emin= -200.13484
difference .00002 from reference emin -200.13486
difference .00002 from reference emin -200.13486
difference .00002 from reference emin -200.13486
difference .00002 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153678 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 240870 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 299693 m 809 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 305979 m 827 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306715 m 830 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322759 m 885 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335469 m 924 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 355500 m 988 rms 2.99 %NC 46.7 ENERGY -1.92908E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 373283 m 1040 rms 2.99 %NC 46.7 ENERGY -1.92908E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 377969 m 1052 rms 2.99 %NC 46.7 ENERGY -1.92909E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 381401 m 1065 rms 2.99 %NC 46.7 ENERGY -1.92909E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 392224 m 1101 rms 2.85 %NC 53.3 ENERGY -1.93593E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 416497 m 1181 rms 2.87 %NC 53.3 ENERGY -1.93666E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 426100 m 1218 rms 2.85 %NC 53.3 ENERGY -1.93916E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 455446 m 1321 rms 2.85 %NC 53.3 ENERGY -1.93917E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 459218 m 1334 rms 2.85 %NC 53.3 ENERGY -1.93917E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 481321 m 1426 rms 3.34 %NC 46.7 ENERGY -1.95455E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 504236 m 1500 rms 2.26 %NC 46.7 ENERGY -1.95835E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 519556 m 1542 rms 2.26 %NC 46.7 ENERGY -1.96117E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 554556 m 1642 rms 2.26 %NC 46.7 ENERGY -1.96117E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 561365 m 1666 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 591234 m 1763 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 608659 m 1832 rms 2.22 %NC 53.3 ENERGY -1.99142E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 610745 m 1848 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 689929 m 1939 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 697111 m 1959 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 740357 m 2067 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 762028 m 2122 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 796411 m 2223 rms 2.12 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 806169 m 2250 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 824306 m 2296 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 923705 m 2579 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 948097 m 2635 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 948272 m 2636 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 954662 m 2654 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1082852 m 3006 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1142845 m 3206 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1161210 m 3267 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153678 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 240870 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 299693 m 809 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 305979 m 827 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306715 m 830 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322759 m 885 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335469 m 924 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 355500 m 988 rms 2.99 %NC 46.7 ENERGY -1.92908E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 373283 m 1040 rms 2.99 %NC 46.7 ENERGY -1.92908E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 377969 m 1052 rms 2.99 %NC 46.7 ENERGY -1.92909E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 381401 m 1065 rms 2.99 %NC 46.7 ENERGY -1.92909E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 392224 m 1101 rms 2.85 %NC 53.3 ENERGY -1.93593E+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@036.pdb:REMARK GM 36 e 416497 m 1181 rms 2.87 %NC 53.3 ENERGY -1.93666E+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@037.pdb:REMARK GM 37 e 426100 m 1218 rms 2.85 %NC 53.3 ENERGY -1.93916E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 455446 m 1321 rms 2.85 %NC 53.3 ENERGY -1.93917E+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@039.pdb:REMARK GM 39 e 459218 m 1334 rms 2.85 %NC 53.3 ENERGY -1.93917E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 481321 m 1426 rms 3.34 %NC 46.7 ENERGY -1.95455E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 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@041.pdb:REMARK GM 41 e 504236 m 1500 rms 2.26 %NC 46.7 ENERGY -1.95835E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 519556 m 1542 rms 2.26 %NC 46.7 ENERGY -1.96117E+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@043.pdb:REMARK GM 43 e 554556 m 1642 rms 2.26 %NC 46.7 ENERGY -1.96117E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 561365 m 1666 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 591234 m 1763 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 608659 m 1832 rms 2.22 %NC 53.3 ENERGY -1.99142E+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@047.pdb:REMARK GM 47 e 610745 m 1848 rms 2.22 %NC 53.3 ENERGY -1.99145E+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 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 689929 m 1939 rms 2.22 %NC 53.3 ENERGY -1.99145E+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@049.pdb:REMARK GM 49 e 697111 m 1959 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 740357 m 2067 rms 2.22 %NC 53.3 ENERGY -1.99145E+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@051.pdb:REMARK GM 51 e 762028 m 2122 rms 2.22 %NC 53.3 ENERGY -1.99145E+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@052.pdb:REMARK GM 52 e 796411 m 2223 rms 2.12 %NC 53.3 ENERGY -1.99551E+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@053.pdb:REMARK GM 53 e 806169 m 2250 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@054.pdb:REMARK GM 54 e 824306 m 2296 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@055.pdb:REMARK GM 55 e 923705 m 2579 rms 3.38 %NC 46.7 ENERGY -2.00134E+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@056.pdb:REMARK GM 56 e 948097 m 2635 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@057.pdb:REMARK GM 57 e 948272 m 2636 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240870 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 954662 m 2654 rms 3.39 %NC 46.7 ENERGY -2.00135E+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 299693 m 809 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1082852 m 3006 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1142845 m 3206 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 305979 m 827 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306715 m 830 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1161210 m 3267 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322759 m 885 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335469 m 924 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 355500 m 988 rms 2.99 %NC 46.7 ENERGY -1.92908E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 373283 m 1040 rms 2.99 %NC 46.7 ENERGY -1.92908E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 377969 m 1052 rms 2.99 %NC 46.7 ENERGY -1.92909E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 381401 m 1065 rms 2.99 %NC 46.7 ENERGY -1.92909E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 392224 m 1101 rms 2.85 %NC 53.3 ENERGY -1.93593E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 416497 m 1181 rms 2.87 %NC 53.3 ENERGY -1.93666E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 426100 m 1218 rms 2.85 %NC 53.3 ENERGY -1.93916E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 455446 m 1321 rms 2.85 %NC 53.3 ENERGY -1.93917E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 459218 m 1334 rms 2.85 %NC 53.3 ENERGY -1.93917E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 481321 m 1426 rms 3.34 %NC 46.7 ENERGY -1.95455E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 504236 m 1500 rms 2.26 %NC 46.7 ENERGY -1.95835E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 519556 m 1542 rms 2.26 %NC 46.7 ENERGY -1.96117E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 554556 m 1642 rms 2.26 %NC 46.7 ENERGY -1.96117E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 561365 m 1666 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 591234 m 1763 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 608659 m 1832 rms 2.22 %NC 53.3 ENERGY -1.99142E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 610745 m 1848 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 689929 m 1939 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 697111 m 1959 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 740357 m 2067 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 762028 m 2122 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 796411 m 2223 rms 2.12 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 806169 m 2250 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 824306 m 2296 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 923705 m 2579 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 948097 m 2635 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 948272 m 2636 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 954662 m 2654 rms 3.39 %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@059.pdb:REMARK GM 59 e 1082852 m 3006 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@060.pdb:REMARK GM 60 e 1142845 m 3206 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1161210 m 3267 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153678 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 240870 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 299693 m 809 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 305979 m 827 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306715 m 830 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322759 m 885 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335469 m 924 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 355500 m 988 rms 2.99 %NC 46.7 ENERGY -1.92908E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 373283 m 1040 rms 2.99 %NC 46.7 ENERGY -1.92908E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 377969 m 1052 rms 2.99 %NC 46.7 ENERGY -1.92909E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 381401 m 1065 rms 2.99 %NC 46.7 ENERGY -1.92909E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 392224 m 1101 rms 2.85 %NC 53.3 ENERGY -1.93593E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 416497 m 1181 rms 2.87 %NC 53.3 ENERGY -1.93666E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 426100 m 1218 rms 2.85 %NC 53.3 ENERGY -1.93916E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 455446 m 1321 rms 2.85 %NC 53.3 ENERGY -1.93917E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 459218 m 1334 rms 2.85 %NC 53.3 ENERGY -1.93917E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 481321 m 1426 rms 3.34 %NC 46.7 ENERGY -1.95455E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 504236 m 1500 rms 2.26 %NC 46.7 ENERGY -1.95835E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 519556 m 1542 rms 2.26 %NC 46.7 ENERGY -1.96117E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 554556 m 1642 rms 2.26 %NC 46.7 ENERGY -1.96117E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 561365 m 1666 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 591234 m 1763 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 608659 m 1832 rms 2.22 %NC 53.3 ENERGY -1.99142E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 610745 m 1848 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 689929 m 1939 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 697111 m 1959 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 740357 m 2067 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 762028 m 2122 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 796411 m 2223 rms 2.12 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 806169 m 2250 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 824306 m 2296 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 923705 m 2579 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 948097 m 2635 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 948272 m 2636 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 954662 m 2654 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1082852 m 3006 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1142845 m 3206 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1161210 m 3267 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
