Test №839071

Test: linux.gcc.mpi.serialization.integration.mpi 「view this page in B3 βῆτα server」
Branch: rosetta:commits 「revision: №20505」
Test files: 「file-system-view」「file-list-view」
Daemon: hojo-4 Started at: 2024-09-24 12:09:46 Run time: 1:31:51 State: failed

Test Log

Compiling: find bin -type l ! -name ".*" -exec rm {} \; ; /home/benchmark/prefix/nobu-2/linux/python-3.9.gcc/99a1a29fd465f86265a7c5b92d75dbcd/bin/python3.9 ./scons.py bin mode=release_debug cxx=gcc extras=mpi,serialization -j48 Running: unset __PYVENV_LAUNCHER__ && . /home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/f916a9c27c93a1801304b72f29630408/bin/activate && cd /home/benchmark/rosetta/tests/integration && python ./integration.py --mode=release_debug --compiler=gcc --extras=mpi,serialization --timeout=3600 -j48 --skip-comparison --suffix mpi --additional_flags "-in:path:database_cache_dir /home/benchmark/rosetta/.database-binaries/mpiserialization.linuxgccrelease_debug" Running integration script... Command line: unset __PYVENV_LAUNCHER__ && . /home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/f916a9c27c93a1801304b72f29630408/bin/activate && cd /home/benchmark/rosetta/tests/integration && python ./integration.py --mode=release_debug --compiler=gcc --extras=mpi,serialization --timeout=3600 -j48 --skip-comparison --suffix mpi --additional_flags "-in:path:database_cache_dir /home/benchmark/rosetta/.database-binaries/mpiserialization.linuxgccrelease_debug" Using Rosetta source dir at: /home/benchmark/rosetta/source Using Rosetta database dir at:/home/benchmark/rosetta/database Current Versions Tested: MAIN: 64f326474187d4daffbcfab3a8c1a6712edf5a43 TOOLS: b0af2521cbed1f2bde597ef1c5406efa376a6f85 DEMOS: 48c9239db73b9a8c828954d9215c983b9f144c92 Verifying Python /usr/bin/python2 to have version 2.*... /usr/bin/python2 -c 'import sys; sys.exit(sys.version_info[0] != 2)' Verifying Python /home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/f916a9c27c93a1801304b72f29630408/bin/python to have version 3.*... /home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/f916a9c27c93a1801304b72f29630408/bin/python -c 'import sys; sys.exit(sys.version_info[0] != 3)' Python: `/home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/f916a9c27c93a1801304b72f29630408/bin/python` Python2: `/usr/bin/python2` Python3: `/home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/f916a9c27c93a1801304b72f29630408/bin/python` Outdir: new Running Test simple_cycpep_predict_thioether_lariat ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_thioether_lariat/command.mpi.sh Running Test simple_cycpep_predict_terminal_disulfide_tails_2 ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_terminal_disulfide_tails_2/command.mpi.sh Running Test simple_cycpep_predict_terminal_disulfide_tails ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_terminal_disulfide_tails/command.mpi.sh Running Test simple_cycpep_predict_terminal_disulfide ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_terminal_disulfide/command.mpi.sh Running Test simple_cycpep_predict_sidechain_isopeptide_reverse ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_sidechain_isopeptide_reverse/command.mpi.sh Running Test simple_cycpep_predict_sidechain_isopeptide ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_sidechain_isopeptide/command.mpi.sh Running Test simple_cycpep_predict_nterm_isopeptide_lariat_tailless ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/command.mpi.sh Running Test simple_cycpep_predict_nterm_isopeptide_lariat ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_nterm_isopeptide_lariat/command.mpi.sh Running Test simple_cycpep_predict_lanthionine ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_lanthionine/command.mpi.sh Running Test simple_cycpep_predict_cterm_isopeptide_lariat_tailless ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/command.mpi.sh Running Test simple_cycpep_predict_cterm_isopeptide_lariat ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_cterm_isopeptide_lariat/command.mpi.sh Running Test simple_cycpep_predict_bondangle_bondlength ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_bondangle_bondlength/command.mpi.sh Running Test simple_cycpep_predict_beta_thioether_lariat ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_beta_thioether_lariat/command.mpi.sh Running Test replica_docking ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/replica_docking/command.mpi.sh Running Test recon_design_mpi ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/recon_design_mpi/command.mpi.sh Running Test mpi_simple_cycpep_predict_computing_pnear_to_all ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mpi_simple_cycpep_predict_computing_pnear_to_all/command.mpi.sh Running Test mpi_simple_cycpep_predict_4level ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mpi_simple_cycpep_predict_4level/command.mpi.sh Running Test mpi_simple_cycpep_predict ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mpi_simple_cycpep_predict/command.mpi.sh Running Test helical_bundle_predict_skipping_residues ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helical_bundle_predict_skipping_residues/command.mpi.sh Running Test helical_bundle_predict_sequence ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helical_bundle_predict_sequence/command.mpi.sh Running Test helical_bundle_predict_psipred_with_helix_globals ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helical_bundle_predict_psipred_with_helix_globals/command.mpi.sh Running Test helical_bundle_predict_psipred ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helical_bundle_predict_psipred/command.mpi.sh Running Test helical_bundle_predict ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helical_bundle_predict/command.mpi.sh Running Test features_pdb_mpi ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/features_pdb_mpi/command.mpi.sh Running Test database_md5 ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/database_md5/command.mpi.sh Running Test threefold_symm_peptide_design ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/threefold_symm_peptide_design/command.mpi.sh Running Test simple_cycpep_predict_design ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_design/command.mpi.sh Running Test backbonegridsampler_nstruct_mode ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/backbonegridsampler_nstruct_mode/command.mpi.sh Finished simple_cycpep_predict_terminal_disulfide in 143 seconds [~ 802 test (100.0%) started, 0 in queue, 27 running] Finished simple_cycpep_predict_terminal_disulfide_tails in 174 seconds [~ 802 test (100.0%) started, 0 in queue, 26 running] Finished simple_cycpep_predict_sidechain_isopeptide in 369 seconds [~ 802 test (100.0%) started, 0 in queue, 25 running] Finished simple_cycpep_predict_lanthionine in 371 seconds [~ 802 test (100.0%) started, 0 in queue, 24 running] Finished simple_cycpep_predict_cterm_isopeptide_lariat_tailless in 376 seconds [~ 802 test (100.0%) started, 0 in queue, 23 running] Finished simple_cycpep_predict_cterm_isopeptide_lariat in 380 seconds [~ 802 test (100.0%) started, 0 in queue, 22 running] Finished simple_cycpep_predict_sidechain_isopeptide_reverse in 403 seconds [~ 802 test (100.0%) started, 0 in queue, 21 running] Finished simple_cycpep_predict_nterm_isopeptide_lariat_tailless in 405 seconds [~ 802 test (100.0%) started, 0 in queue, 20 running] Finished mpi_simple_cycpep_predict_4level in 411 seconds [~ 802 test (100.0%) started, 0 in queue, 19 running] Finished backbonegridsampler_nstruct_mode in 411 seconds [~ 802 test (100.0%) started, 0 in queue, 18 running] Finished simple_cycpep_predict_nterm_isopeptide_lariat in 413 seconds [~ 802 test (100.0%) started, 0 in queue, 17 running] dumping features_IntegrationTest.db3_1 ... dumping features_IntegrationTest.db3_2 ... merging dumps ... off exclusive analyzing database ... Finished features_pdb_mpi in 423 seconds [~ 802 test (100.0%) started, 0 in queue, 16 running] Finished mpi_simple_cycpep_predict in 427 seconds [~ 802 test (100.0%) started, 0 in queue, 15 running] Finished simple_cycpep_predict_thioether_lariat in 431 seconds [~ 802 test (100.0%) started, 0 in queue, 14 running] Finished recon_design_mpi in 438 seconds [~ 802 test (100.0%) started, 0 in queue, 13 running] Finished threefold_symm_peptide_design in 449 seconds [~ 802 test (100.0%) started, 0 in queue, 12 running] Finished database_md5 in 450 seconds [~ 802 test (100.0%) started, 0 in queue, 11 running] Finished simple_cycpep_predict_terminal_disulfide_tails_2 in 460 seconds [~ 802 test (100.0%) started, 0 in queue, 10 running] Finished simple_cycpep_predict_beta_thioether_lariat in 473 seconds [~ 802 test (100.0%) started, 0 in queue, 9 running] Finished mpi_simple_cycpep_predict_computing_pnear_to_all in 475 seconds [~ 802 test (100.0%) started, 0 in queue, 8 running] Finished simple_cycpep_predict_bondangle_bondlength in 514 seconds [~ 802 test (100.0%) started, 0 in queue, 7 running] Finished simple_cycpep_predict_design in 521 seconds [~ 802 test (100.0%) started, 0 in queue, 6 running] ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** Finished helical_bundle_predict in 666 seconds [~ 802 test (100.0%) started, 0 in queue, 5 running] ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** Finished helical_bundle_predict_skipping_residues in 668 seconds [~ 802 test (100.0%) started, 0 in queue, 4 running] ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** Finished helical_bundle_predict_sequence in 733 seconds [~ 802 test (100.0%) started, 0 in queue, 3 running] ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** Finished helical_bundle_predict_psipred in 745 seconds [~ 802 test (100.0%) started, 0 in queue, 2 running] ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** Finished helical_bundle_predict_psipred_with_helix_globals in 766 seconds [~ 802 test (100.0%) started, 0 in queue, 1 running] *** Test replica_docking exceeded the timeout=3600 and will be killed! [2024-09-24 13:34:55.222566] Finished replica_docking in 3600 seconds [~ 802 test (100.0%) started, 0 in queue, 0 running] Skipping comparison/analysis phase because command line option "--skip-comparison" was specified... Missing new/runtimes.yaml ──────────────── 'hojo-4' comparing commits:20505 linux.gcc.mpi.serialization.integration.mpi test_id=839071 vs. main:62109 previous_test_id=827817 ────────────────

Sub-Tests Results

linux.gcc.mpi.serialization.integration.mpi.backbonegridsampler_nstruct_mode 「click to collapse/expand」

Brief Diff: Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/mpi_log_1.filt and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/mpi_log_1.filt differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/mpi_log_2.filt and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/mpi_log_2.filt differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0007.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0007.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0008.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0008.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0009.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0009.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0010.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0010.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0011.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0011.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0012.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0012.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0013.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0013.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0014.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0014.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0015.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0015.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0016.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0016.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0018.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0018.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0019.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0019.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0020.pdb and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0020.pdb differ Files /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/score_sorted.sc and /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/score_sorted.sc differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/mpi_log_1.filt /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/mpi_log_1.filt 70c70 < protocols.helical_bundle.BackboneGridSampler.Results: (1) Sample 7 torsion values: -64.3576 -22.7597 176.614 SCORE: -4.35514 --- > protocols.helical_bundle.BackboneGridSampler.Results: (1) Sample 7 torsion values: -64.9031 -22.9195 176.397 SCORE: -4.23452 91c91 < protocols.helical_bundle.BackboneGridSampler.Results: (1) Sample 10 torsion values: -62.1463 -37.6701 179.106 SCORE: -37.3722 --- > protocols.helical_bundle.BackboneGridSampler.Results: (1) Sample 10 torsion values: -62.1483 -37.6621 179.106 SCORE: -37.3722 112c112 < protocols.helical_bundle.BackboneGridSampler.Results: (1) Sample 13 torsion values: -63.4302 -39.6698 178.608 SCORE: -37.0534 --- > protocols.helical_bundle.BackboneGridSampler.Results: (1) Sample 13 torsion values: -63.4294 -39.6694 178.607 SCORE: -37.0538 133c133 < protocols.helical_bundle.BackboneGridSampler.Results: (1) Sample 16 torsion values: -64.7671 -70.6662 183.029 SCORE: 14087.5 --- > protocols.helical_bundle.BackboneGridSampler.Results: (1) Sample 16 torsion values: -64.1205 -71.1218 181.635 SCORE: 15508.5 154c154 < protocols.helical_bundle.BackboneGridSampler.Results: (1) Sample 19 torsion values: 73.8482 -80.6487 175.973 SCORE: 48.6579 --- > protocols.helical_bundle.BackboneGridSampler.Results: (1) Sample 19 torsion values: 73.8482 -80.6224 175.982 SCORE: 48.6579 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/mpi_log_2.filt /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/mpi_log_2.filt 70c70 < protocols.helical_bundle.BackboneGridSampler.Results: (2) Sample 8 torsion values: -167.722 -47.1544 178.772 SCORE: -9.10081 --- > protocols.helical_bundle.BackboneGridSampler.Results: (2) Sample 8 torsion values: -168.282 -46.6463 178.792 SCORE: -8.48432 91c91 < protocols.helical_bundle.BackboneGridSampler.Results: (2) Sample 11 torsion values: -62.1694 -37.5905 179.069 SCORE: -37.3724 --- > protocols.helical_bundle.BackboneGridSampler.Results: (2) Sample 11 torsion values: -62.1653 -37.5888 179.066 SCORE: -37.3724 112c112 < protocols.helical_bundle.BackboneGridSampler.Results: (2) Sample 14 torsion values: -62.9037 -39.6943 178.574 SCORE: -34.9127 --- > protocols.helical_bundle.BackboneGridSampler.Results: (2) Sample 14 torsion values: -64.0303 -40.1138 178.269 SCORE: -34.6297 154c154 < protocols.helical_bundle.BackboneGridSampler.Results: (2) Sample 20 torsion values: 73.8547 -80.6371 175.951 SCORE: 48.6579 --- > protocols.helical_bundle.BackboneGridSampler.Results: (2) Sample 20 torsion values: 73.8643 -80.6246 175.847 SCORE: 48.6589 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/mpi_log_3.filt 70c70 < protocols.helical_bundle.BackboneGridSampler.Results: (3) Sample 9 torsion values: -62.2226 -37.583 179.038 SCORE: -37.3722 --- > protocols.helical_bundle.BackboneGridSampler.Results: (3) Sample 9 torsion values: -62.2219 -37.581 179.04 SCORE: -37.3722 91c91 < protocols.helical_bundle.BackboneGridSampler.Results: (3) Sample 12 torsion values: -62.0895 -30.3877 181.886 SCORE: -9.60251 --- > protocols.helical_bundle.BackboneGridSampler.Results: (3) Sample 12 torsion values: -62.0438 -30.4608 181.907 SCORE: -9.60265 112c112 < protocols.helical_bundle.BackboneGridSampler.Results: (3) Sample 15 torsion values: -62.9044 -42.4171 178.232 SCORE: 17193.3 --- > protocols.helical_bundle.BackboneGridSampler.Results: (3) Sample 15 torsion values: -62.4577 -40.2264 178.382 SCORE: 10746.7 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0007.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0007.pdb 13c13 < ATOM 4 O ALA A 1 2.467 1.918 1.028 1.00 0.00 O --- > ATOM 4 O ALA A 1 2.460 1.921 1.030 1.00 0.00 O 22,252c22,252 < ATOM 13 N ALA A 2 1.961 2.068 -1.159 1.00 0.00 N < ATOM 14 CA ALA A 2 2.553 3.390 -1.323 1.00 0.00 C < ATOM 15 C ALA A 2 1.848 4.421 -0.450 1.00 0.00 C < ATOM 16 O ALA A 2 2.417 5.461 -0.119 1.00 0.00 O < ATOM 17 CB ALA A 2 2.507 3.814 -2.784 1.00 0.00 C < ATOM 18 H ALA A 2 1.503 1.633 -1.947 1.00 0.00 H < ATOM 19 HA ALA A 2 3.594 3.337 -1.003 1.00 0.00 H < ATOM 20 1HB ALA A 2 2.953 4.803 -2.890 1.00 0.00 H < ATOM 21 2HB ALA A 2 3.065 3.098 -3.388 1.00 0.00 H < ATOM 22 3HB ALA A 2 1.473 3.845 -3.121 1.00 0.00 H < ATOM 23 N ALA A 3 0.606 4.126 -0.081 1.00 0.00 N < ATOM 24 CA ALA A 3 -0.153 4.992 0.813 1.00 0.00 C < ATOM 25 C ALA A 3 0.580 5.201 2.132 1.00 0.00 C < ATOM 26 O ALA A 3 0.507 6.274 2.730 1.00 0.00 O < ATOM 27 CB ALA A 3 -1.537 4.411 1.064 1.00 0.00 C < ATOM 28 H ALA A 3 0.177 3.281 -0.429 1.00 0.00 H < ATOM 29 HA ALA A 3 -0.260 5.965 0.333 1.00 0.00 H < ATOM 30 1HB ALA A 3 -2.092 5.069 1.733 1.00 0.00 H < ATOM 31 2HB ALA A 3 -2.071 4.322 0.118 1.00 0.00 H < ATOM 32 3HB ALA A 3 -1.441 3.427 1.520 1.00 0.00 H < ATOM 33 N ALA A 4 1.287 4.169 2.580 1.00 0.00 N < ATOM 34 CA ALA A 4 2.095 4.262 3.790 1.00 0.00 C < ATOM 35 C ALA A 4 3.553 4.551 3.459 1.00 0.00 C < ATOM 36 O ALA A 4 4.235 5.269 4.191 1.00 0.00 O < ATOM 37 CB ALA A 4 1.981 2.979 4.602 1.00 0.00 C < ATOM 38 H ALA A 4 1.265 3.299 2.068 1.00 0.00 H < ATOM 39 HA ALA A 4 1.717 5.092 4.387 1.00 0.00 H < ATOM 40 1HB ALA A 4 2.589 3.064 5.503 1.00 0.00 H < ATOM 41 2HB ALA A 4 0.940 2.817 4.881 1.00 0.00 H < ATOM 42 3HB ALA A 4 2.332 2.139 4.005 1.00 0.00 H < ATOM 43 N ALA A 5 4.026 3.988 2.353 1.00 0.00 N < ATOM 44 CA ALA A 5 5.433 4.088 1.984 1.00 0.00 C < ATOM 45 C ALA A 5 5.807 5.520 1.624 1.00 0.00 C < ATOM 46 O ALA A 5 6.845 6.027 2.050 1.00 0.00 O < ATOM 47 CB ALA A 5 5.745 3.153 0.824 1.00 0.00 C < ATOM 48 H ALA A 5 3.395 3.477 1.752 1.00 0.00 H < ATOM 49 HA ALA A 5 6.032 3.793 2.846 1.00 0.00 H < ATOM 50 1HB ALA A 5 6.799 3.239 0.560 1.00 0.00 H < ATOM 51 2HB ALA A 5 5.527 2.126 1.117 1.00 0.00 H < ATOM 52 3HB ALA A 5 5.133 3.422 -0.035 1.00 0.00 H < ATOM 53 N ALA A 6 4.956 6.169 0.836 1.00 0.00 N < ATOM 54 CA ALA A 6 5.253 7.499 0.318 1.00 0.00 C < ATOM 55 C ALA A 6 4.295 8.538 0.887 1.00 0.00 C < ATOM 56 O ALA A 6 4.721 9.567 1.411 1.00 0.00 O < ATOM 57 CB ALA A 6 5.193 7.500 -1.203 1.00 0.00 C < ATOM 58 H ALA A 6 4.080 5.729 0.591 1.00 0.00 H < ATOM 59 HA ALA A 6 6.262 7.767 0.632 1.00 0.00 H < ATOM 60 1HB ALA A 6 5.416 8.500 -1.574 1.00 0.00 H < ATOM 61 2HB ALA A 6 5.924 6.795 -1.596 1.00 0.00 H < ATOM 62 3HB ALA A 6 4.195 7.208 -1.527 1.00 0.00 H < ATOM 63 N ALA A 7 3.000 8.263 0.780 1.00 0.00 N < ATOM 64 CA ALA A 7 1.977 9.235 1.146 1.00 0.00 C < ATOM 65 C ALA A 7 2.066 9.599 2.623 1.00 0.00 C < ATOM 66 O ALA A 7 1.813 10.741 3.007 1.00 0.00 O < ATOM 67 CB ALA A 7 0.592 8.697 0.817 1.00 0.00 C < ATOM 68 H ALA A 7 2.716 7.356 0.437 1.00 0.00 H < ATOM 69 HA ALA A 7 2.150 10.143 0.567 1.00 0.00 H < ATOM 70 1HB ALA A 7 -0.161 9.435 1.096 1.00 0.00 H < ATOM 71 2HB ALA A 7 0.525 8.496 -0.253 1.00 0.00 H < ATOM 72 3HB ALA A 7 0.419 7.776 1.370 1.00 0.00 H < ATOM 73 N ALA A 8 2.427 8.622 3.447 1.00 0.00 N < ATOM 74 CA ALA A 8 2.470 8.814 4.892 1.00 0.00 C < ATOM 75 C ALA A 8 3.868 9.202 5.355 1.00 0.00 C < ATOM 76 O ALA A 8 4.119 9.347 6.551 1.00 0.00 O < ATOM 77 CB ALA A 8 2.006 7.554 5.608 1.00 0.00 C < ATOM 78 H ALA A 8 2.679 7.722 3.063 1.00 0.00 H < ATOM 79 HA ALA A 8 1.795 9.633 5.144 1.00 0.00 H < ATOM 80 1HB ALA A 8 2.044 7.714 6.686 1.00 0.00 H < ATOM 81 2HB ALA A 8 0.984 7.322 5.311 1.00 0.00 H < ATOM 82 3HB ALA A 8 2.658 6.724 5.342 1.00 0.00 H < ATOM 83 N ALA A 9 4.777 9.370 4.400 1.00 0.00 N < ATOM 84 CA ALA A 9 6.170 9.665 4.711 1.00 0.00 C < ATOM 85 C ALA A 9 6.693 10.816 3.861 1.00 0.00 C < ATOM 86 O ALA A 9 7.034 11.879 4.380 1.00 0.00 O < ATOM 87 CB ALA A 9 7.031 8.426 4.512 1.00 0.00 C < ATOM 88 H ALA A 9 4.495 9.291 3.433 1.00 0.00 H < ATOM 89 HA ALA A 9 6.227 9.969 5.756 1.00 0.00 H < ATOM 90 1HB ALA A 9 8.069 8.662 4.748 1.00 0.00 H < ATOM 91 2HB ALA A 9 6.682 7.630 5.169 1.00 0.00 H < ATOM 92 3HB ALA A 9 6.962 8.098 3.476 1.00 0.00 H < ATOM 93 N ALA A 10 6.755 10.597 2.552 1.00 0.00 N < ATOM 94 CA ALA A 10 7.268 11.604 1.631 1.00 0.00 C < ATOM 95 C ALA A 10 6.339 12.808 1.558 1.00 0.00 C < ATOM 96 O ALA A 10 6.777 13.927 1.286 1.00 0.00 O < ATOM 97 CB ALA A 10 7.466 11.003 0.246 1.00 0.00 C < ATOM 98 H ALA A 10 6.439 9.711 2.186 1.00 0.00 H < ATOM 99 HA ALA A 10 8.232 11.947 2.007 1.00 0.00 H < ATOM 100 1HB ALA A 10 7.849 11.767 -0.430 1.00 0.00 H < ATOM 101 2HB ALA A 10 8.178 10.180 0.305 1.00 0.00 H < ATOM 102 3HB ALA A 10 6.513 10.633 -0.128 1.00 0.00 H < ATOM 103 N ALA A 11 5.054 12.574 1.802 1.00 0.00 N < ATOM 104 CA ALA A 11 4.065 13.645 1.792 1.00 0.00 C < ATOM 105 C ALA A 11 3.706 14.077 3.208 1.00 0.00 C < ATOM 106 O ALA A 11 3.990 15.204 3.614 1.00 0.00 O < ATOM 107 CB ALA A 11 2.817 13.205 1.040 1.00 0.00 C < ATOM 108 H ALA A 11 4.756 11.630 2.000 1.00 0.00 H < ATOM 109 HA ALA A 11 4.500 14.503 1.281 1.00 0.00 H < ATOM 110 1HB ALA A 11 2.087 14.015 1.041 1.00 0.00 H < ATOM 111 2HB ALA A 11 3.080 12.955 0.013 1.00 0.00 H < ATOM 112 3HB ALA A 11 2.388 12.331 1.528 1.00 0.00 H < ATOM 113 N ALA A 12 3.081 13.174 3.956 1.00 0.00 N < ATOM 114 CA ALA A 12 2.526 13.512 5.261 1.00 0.00 C < ATOM 115 C ALA A 12 3.619 13.951 6.227 1.00 0.00 C < ATOM 116 O ALA A 12 3.425 14.871 7.022 1.00 0.00 O < ATOM 117 CB ALA A 12 1.758 12.330 5.833 1.00 0.00 C < ATOM 118 H ALA A 12 2.987 12.229 3.611 1.00 0.00 H < ATOM 119 HA ALA A 12 1.839 14.349 5.130 1.00 0.00 H < ATOM 120 1HB ALA A 12 1.350 12.598 6.807 1.00 0.00 H < ATOM 121 2HB ALA A 12 0.943 12.064 5.159 1.00 0.00 H < ATOM 122 3HB ALA A 12 2.429 11.479 5.942 1.00 0.00 H < ATOM 123 N ALA A 13 4.768 13.288 6.153 1.00 0.00 N < ATOM 124 CA ALA A 13 5.822 13.470 7.143 1.00 0.00 C < ATOM 125 C ALA A 13 6.927 14.375 6.612 1.00 0.00 C < ATOM 126 O ALA A 13 7.991 14.493 7.219 1.00 0.00 O < ATOM 127 CB ALA A 13 6.396 12.124 7.560 1.00 0.00 C < ATOM 128 H ALA A 13 4.914 12.642 5.391 1.00 0.00 H < ATOM 129 HA ALA A 13 5.386 13.954 8.017 1.00 0.00 H < ATOM 130 1HB ALA A 13 7.182 12.277 8.300 1.00 0.00 H < ATOM 131 2HB ALA A 13 5.605 11.510 7.992 1.00 0.00 H < ATOM 132 3HB ALA A 13 6.811 11.620 6.689 1.00 0.00 H < ATOM 133 N ALA A 14 6.668 15.011 5.474 1.00 0.00 N < ATOM 134 CA ALA A 14 7.653 15.879 4.841 1.00 0.00 C < ATOM 135 C ALA A 14 7.039 17.219 4.455 1.00 0.00 C < ATOM 136 O ALA A 14 7.727 18.239 4.414 1.00 0.00 O < ATOM 137 CB ALA A 14 8.250 15.199 3.618 1.00 0.00 C < ATOM 138 H ALA A 14 5.765 14.889 5.037 1.00 0.00 H < ATOM 139 HA ALA A 14 8.448 16.071 5.561 1.00 0.00 H < ATOM 140 1HB ALA A 14 8.983 15.860 3.155 1.00 0.00 H < ATOM 141 2HB ALA A 14 8.736 14.271 3.918 1.00 0.00 H < ATOM 142 3HB ALA A 14 7.459 14.978 2.902 1.00 0.00 H < ATOM 143 N ALA A 15 5.741 17.209 4.172 1.00 0.00 N < ATOM 144 CA ALA A 15 5.030 18.425 3.796 1.00 0.00 C < ATOM 145 C ALA A 15 3.987 18.799 4.841 1.00 0.00 C < ATOM 146 O ALA A 15 3.936 19.940 5.301 1.00 0.00 O < ATOM 147 CB ALA A 15 4.375 18.256 2.433 1.00 0.00 C < ATOM 148 H ALA A 15 5.233 16.337 4.218 1.00 0.00 H < ATOM 149 HA ALA A 15 5.754 19.238 3.741 1.00 0.00 H < ATOM 150 1HB ALA A 15 3.848 19.172 2.166 1.00 0.00 H < ATOM 151 2HB ALA A 15 5.140 18.047 1.685 1.00 0.00 H < ATOM 152 3HB ALA A 15 3.668 17.429 2.469 1.00 0.00 H < ATOM 153 N ALA A 16 3.156 17.832 5.213 1.00 0.00 N < ATOM 154 CA ALA A 16 2.101 18.062 6.193 1.00 0.00 C < ATOM 155 C ALA A 16 2.681 18.321 7.577 1.00 0.00 C < ATOM 156 O ALA A 16 2.265 19.247 8.272 1.00 0.00 O < ATOM 157 CB ALA A 16 1.146 16.877 6.232 1.00 0.00 C < ATOM 158 H ALA A 16 3.257 16.913 4.807 1.00 0.00 H < ATOM 159 HA ALA A 16 1.547 18.951 5.891 1.00 0.00 H < ATOM 160 1HB ALA A 16 0.364 17.065 6.968 1.00 0.00 H < ATOM 161 2HB ALA A 16 0.695 16.741 5.250 1.00 0.00 H < ATOM 162 3HB ALA A 16 1.695 15.978 6.507 1.00 0.00 H < ATOM 163 N ALA A 17 3.646 17.496 7.972 1.00 0.00 N < ATOM 164 CA ALA A 17 4.321 17.665 9.253 1.00 0.00 C < ATOM 165 C ALA A 17 5.165 18.933 9.269 1.00 0.00 C < ATOM 166 O ALA A 17 5.259 19.615 10.289 1.00 0.00 O < ATOM 167 CB ALA A 17 5.185 16.451 9.561 1.00 0.00 C < ATOM 168 H ALA A 17 3.918 16.733 7.369 1.00 0.00 H < ATOM 169 HA ALA A 17 3.559 17.761 10.027 1.00 0.00 H < ATOM 170 1HB ALA A 17 5.682 16.591 10.520 1.00 0.00 H < ATOM 171 2HB ALA A 17 4.558 15.560 9.604 1.00 0.00 H < ATOM 172 3HB ALA A 17 5.933 16.329 8.779 1.00 0.00 H < ATOM 173 N ALA A 18 5.778 19.243 8.131 1.00 0.00 N < ATOM 174 CA ALA A 18 6.706 20.364 8.042 1.00 0.00 C < ATOM 175 C ALA A 18 5.961 21.689 7.949 1.00 0.00 C < ATOM 176 O ALA A 18 6.102 22.555 8.813 1.00 0.00 O < ATOM 177 CB ALA A 18 7.632 20.192 6.847 1.00 0.00 C < ATOM 178 H ALA A 18 5.597 18.688 7.308 1.00 0.00 H < ATOM 179 HA ALA A 18 7.305 20.382 8.953 1.00 0.00 H < ATOM 180 1HB ALA A 18 8.318 21.037 6.794 1.00 0.00 H < ATOM 181 2HB ALA A 18 8.201 19.269 6.957 1.00 0.00 H < ATOM 182 3HB ALA A 18 7.041 20.147 5.933 1.00 0.00 H < ATOM 183 N ALA A 19 5.167 21.843 6.894 1.00 0.00 N < ATOM 184 CA ALA A 19 4.546 23.125 6.582 1.00 0.00 C < ATOM 185 C ALA A 19 3.170 23.242 7.225 1.00 0.00 C < ATOM 186 O ALA A 19 2.818 24.286 7.773 1.00 0.00 O < ATOM 187 CB ALA A 19 4.444 23.310 5.075 1.00 0.00 C < ATOM 188 H ALA A 19 4.988 21.050 6.294 1.00 0.00 H < ATOM 189 HA ALA A 19 5.175 23.914 6.993 1.00 0.00 H < ATOM 190 1HB ALA A 19 3.979 24.272 4.858 1.00 0.00 H < ATOM 191 2HB ALA A 19 5.442 23.282 4.637 1.00 0.00 H < ATOM 192 3HB ALA A 19 3.839 22.511 4.651 1.00 0.00 H < ATOM 193 N ALA A 20 2.396 22.165 7.153 1.00 0.00 N < ATOM 194 CA ALA A 20 0.998 22.198 7.565 1.00 0.00 C < ATOM 195 C ALA A 20 0.850 21.863 9.044 1.00 0.00 C < ATOM 196 O ALA A 20 -0.251 21.592 9.522 1.00 0.00 O < ATOM 197 CB ALA A 20 0.174 21.236 6.721 1.00 0.00 C < ATOM 198 H ALA A 20 2.786 21.300 6.806 1.00 0.00 H < ATOM 199 HA ALA A 20 0.624 23.210 7.412 1.00 0.00 H < ATOM 200 1HB ALA A 20 -0.868 21.272 7.040 1.00 0.00 H < ATOM 201 2HB ALA A 20 0.242 21.523 5.671 1.00 0.00 H < ATOM 202 3HB ALA A 20 0.556 20.224 6.845 1.00 0.00 H < ATOM 203 N ALA A 21 1.967 21.884 9.764 1.00 0.00 N < ATOM 204 CA ALA A 21 1.965 21.576 11.189 1.00 0.00 C < ATOM 205 C ALA A 21 2.939 22.469 11.947 1.00 0.00 C < ATOM 206 O ALA A 21 2.632 22.953 13.036 1.00 0.00 O < ATOM 207 CB ALA A 21 2.307 20.110 11.414 1.00 0.00 C < ATOM 208 H ALA A 21 2.839 22.120 9.312 1.00 0.00 H < ATOM 209 HA ALA A 21 0.964 21.768 11.576 1.00 0.00 H < ATOM 210 1HB ALA A 21 2.302 19.895 12.483 1.00 0.00 H < ATOM 211 2HB ALA A 21 1.568 19.483 10.914 1.00 0.00 H < ATOM 212 3HB ALA A 21 3.295 19.900 11.007 1.00 0.00 H < ATOM 213 N ALA A 22 4.113 22.683 11.364 1.00 0.00 N < ATOM 214 CA ALA A 22 5.166 23.449 12.021 1.00 0.00 C < ATOM 215 C ALA A 22 5.201 24.885 11.512 1.00 0.00 C < ATOM 216 O ALA A 22 4.997 25.829 12.275 1.00 0.00 O < ATOM 217 CB ALA A 22 6.517 22.781 11.812 1.00 0.00 C < ATOM 218 H ALA A 22 4.282 22.306 10.443 1.00 0.00 H < ATOM 219 HA ALA A 22 4.948 23.479 13.089 1.00 0.00 H < ATOM 220 1HB ALA A 22 7.292 23.365 12.308 1.00 0.00 H < ATOM 221 2HB ALA A 22 6.494 21.776 12.233 1.00 0.00 H < ATOM 222 3HB ALA A 22 6.733 22.723 10.747 1.00 0.00 H < ATOM 223 N ALA A 23 5.462 25.043 10.219 1.00 0.00 N < ATOM 224 CA ALA A 23 5.595 26.365 9.620 1.00 0.00 C < ATOM 225 C ALA A 23 4.293 27.150 9.724 1.00 0.00 C < ATOM 226 O ALA A 23 4.297 28.338 10.044 1.00 0.00 O < ATOM 227 CB ALA A 23 6.027 26.247 8.166 1.00 0.00 C < ATOM 228 H ALA A 23 5.571 24.225 9.636 1.00 0.00 H < ATOM 229 HA ALA A 23 6.359 26.912 10.172 1.00 0.00 H < ATOM 230 1HB ALA A 23 6.121 27.243 7.732 1.00 0.00 H < ATOM 231 2HB ALA A 23 6.988 25.736 8.112 1.00 0.00 H < ATOM 232 3HB ALA A 23 5.282 25.680 7.610 1.00 0.00 H < ATOM 233 N ALA A 24 3.180 26.478 9.450 1.00 0.00 N < ATOM 234 CA ALA A 24 1.864 27.097 9.559 1.00 0.00 C < ATOM 235 C ALA A 24 0.971 26.327 10.523 1.00 0.00 C < ATOM 236 O ALA A 24 1.106 25.112 10.673 1.00 0.00 O < ATOM 237 OXT ALA A 24 0.124 26.903 11.148 1.00 0.00 O < ATOM 238 CB ALA A 24 1.208 27.192 8.190 1.00 0.00 C < ATOM 239 H ALA A 24 3.247 25.513 9.158 1.00 0.00 H < ATOM 240 HA ALA A 24 1.996 28.103 9.958 1.00 0.00 H < ATOM 241 1HB ALA A 24 0.226 27.656 8.288 1.00 0.00 H < ATOM 242 2HB ALA A 24 1.830 27.795 7.529 1.00 0.00 H < ATOM 243 3HB ALA A 24 1.095 26.193 7.771 1.00 0.00 H --- > ATOM 13 N ALA A 2 1.970 2.065 -1.161 1.00 0.00 N > ATOM 14 CA ALA A 2 2.563 3.386 -1.324 1.00 0.00 C > ATOM 15 C ALA A 2 1.844 4.422 -0.470 1.00 0.00 C > ATOM 16 O ALA A 2 2.408 5.464 -0.134 1.00 0.00 O > ATOM 17 CB ALA A 2 2.540 3.800 -2.789 1.00 0.00 C > ATOM 18 H ALA A 2 1.517 1.628 -1.951 1.00 0.00 H > ATOM 19 HA ALA A 2 3.599 3.336 -0.988 1.00 0.00 H > ATOM 20 1HB ALA A 2 2.987 4.789 -2.894 1.00 0.00 H > ATOM 21 2HB ALA A 2 3.108 3.081 -3.379 1.00 0.00 H > ATOM 22 3HB ALA A 2 1.511 3.828 -3.142 1.00 0.00 H > ATOM 23 N ALA A 3 0.596 4.131 -0.121 1.00 0.00 N > ATOM 24 CA ALA A 3 -0.177 5.000 0.758 1.00 0.00 C > ATOM 25 C ALA A 3 0.538 5.216 2.086 1.00 0.00 C > ATOM 26 O ALA A 3 0.454 6.291 2.680 1.00 0.00 O > ATOM 27 CB ALA A 3 -1.563 4.418 0.993 1.00 0.00 C > ATOM 28 H ALA A 3 0.171 3.285 -0.475 1.00 0.00 H > ATOM 29 HA ALA A 3 -0.278 5.970 0.272 1.00 0.00 H > ATOM 30 1HB ALA A 3 -2.128 5.079 1.652 1.00 0.00 H > ATOM 31 2HB ALA A 3 -2.084 4.324 0.040 1.00 0.00 H > ATOM 32 3HB ALA A 3 -1.473 3.437 1.455 1.00 0.00 H > ATOM 33 N ALA A 4 1.242 4.187 2.547 1.00 0.00 N > ATOM 34 CA ALA A 4 2.034 4.287 3.768 1.00 0.00 C > ATOM 35 C ALA A 4 3.496 4.573 3.454 1.00 0.00 C > ATOM 36 O ALA A 4 4.168 5.300 4.186 1.00 0.00 O > ATOM 37 CB ALA A 4 1.908 3.010 4.586 1.00 0.00 C > ATOM 38 H ALA A 4 1.228 3.315 2.040 1.00 0.00 H > ATOM 39 HA ALA A 4 1.649 5.121 4.354 1.00 0.00 H > ATOM 40 1HB ALA A 4 2.505 3.099 5.494 1.00 0.00 H > ATOM 41 2HB ALA A 4 0.863 2.850 4.853 1.00 0.00 H > ATOM 42 3HB ALA A 4 2.266 2.166 3.999 1.00 0.00 H > ATOM 43 N ALA A 5 3.985 3.996 2.361 1.00 0.00 N > ATOM 44 CA ALA A 5 5.397 4.092 2.011 1.00 0.00 C > ATOM 45 C ALA A 5 5.779 5.522 1.648 1.00 0.00 C > ATOM 46 O ALA A 5 6.812 6.029 2.085 1.00 0.00 O > ATOM 47 CB ALA A 5 5.723 3.150 0.861 1.00 0.00 C > ATOM 48 H ALA A 5 3.363 3.478 1.758 1.00 0.00 H > ATOM 49 HA ALA A 5 5.983 3.801 2.883 1.00 0.00 H > ATOM 50 1HB ALA A 5 6.781 3.233 0.611 1.00 0.00 H > ATOM 51 2HB ALA A 5 5.500 2.125 1.157 1.00 0.00 H > ATOM 52 3HB ALA A 5 5.124 3.415 -0.008 1.00 0.00 H > ATOM 53 N ALA A 6 4.939 6.167 0.846 1.00 0.00 N > ATOM 54 CA ALA A 6 5.245 7.495 0.325 1.00 0.00 C > ATOM 55 C ALA A 6 4.280 8.537 0.875 1.00 0.00 C > ATOM 56 O ALA A 6 4.698 9.568 1.401 1.00 0.00 O > ATOM 57 CB ALA A 6 5.207 7.489 -1.196 1.00 0.00 C > ATOM 58 H ALA A 6 4.067 5.727 0.590 1.00 0.00 H > ATOM 59 HA ALA A 6 6.249 7.764 0.652 1.00 0.00 H > ATOM 60 1HB ALA A 6 5.437 8.487 -1.570 1.00 0.00 H > ATOM 61 2HB ALA A 6 5.944 6.780 -1.576 1.00 0.00 H > ATOM 62 3HB ALA A 6 4.215 7.195 -1.534 1.00 0.00 H > ATOM 63 N ALA A 7 2.986 8.263 0.749 1.00 0.00 N > ATOM 64 CA ALA A 7 1.959 9.240 1.089 1.00 0.00 C > ATOM 65 C ALA A 7 2.020 9.613 2.564 1.00 0.00 C > ATOM 66 O ALA A 7 1.762 10.758 2.937 1.00 0.00 O > ATOM 67 CB ALA A 7 0.579 8.704 0.736 1.00 0.00 C > ATOM 68 H ALA A 7 2.706 7.354 0.409 1.00 0.00 H > ATOM 69 HA ALA A 7 2.145 10.144 0.508 1.00 0.00 H > ATOM 70 1HB ALA A 7 -0.177 9.445 0.996 1.00 0.00 H > ATOM 71 2HB ALA A 7 0.532 8.496 -0.333 1.00 0.00 H > ATOM 72 3HB ALA A 7 0.393 7.786 1.292 1.00 0.00 H > ATOM 73 N ALA A 8 2.364 8.641 3.402 1.00 0.00 N > ATOM 74 CA ALA A 8 2.384 8.844 4.845 1.00 0.00 C > ATOM 75 C ALA A 8 3.775 9.236 5.328 1.00 0.00 C > ATOM 76 O ALA A 8 4.007 9.385 6.527 1.00 0.00 O > ATOM 77 CB ALA A 8 1.910 7.588 5.563 1.00 0.00 C > ATOM 78 H ALA A 8 2.619 7.737 3.028 1.00 0.00 H > ATOM 79 HA ALA A 8 1.705 9.663 5.081 1.00 0.00 H > ATOM 80 1HB ALA A 8 1.931 7.755 6.640 1.00 0.00 H > ATOM 81 2HB ALA A 8 0.892 7.353 5.252 1.00 0.00 H > ATOM 82 3HB ALA A 8 2.567 6.757 5.313 1.00 0.00 H > ATOM 83 N ALA A 9 4.697 9.403 4.386 1.00 0.00 N > ATOM 84 CA ALA A 9 6.084 9.704 4.717 1.00 0.00 C > ATOM 85 C ALA A 9 6.616 10.853 3.869 1.00 0.00 C > ATOM 86 O ALA A 9 6.943 11.921 4.387 1.00 0.00 O > ATOM 87 CB ALA A 9 6.952 8.468 4.536 1.00 0.00 C > ATOM 88 H ALA A 9 4.429 9.320 3.415 1.00 0.00 H > ATOM 89 HA ALA A 9 6.124 10.014 5.761 1.00 0.00 H > ATOM 90 1HB ALA A 9 7.985 8.708 4.787 1.00 0.00 H > ATOM 91 2HB ALA A 9 6.595 7.674 5.192 1.00 0.00 H > ATOM 92 3HB ALA A 9 6.899 8.134 3.501 1.00 0.00 H > ATOM 93 N ALA A 10 6.701 10.627 2.562 1.00 0.00 N > ATOM 94 CA ALA A 10 7.224 11.631 1.644 1.00 0.00 C > ATOM 95 C ALA A 10 6.294 12.834 1.554 1.00 0.00 C > ATOM 96 O ALA A 10 6.733 13.952 1.287 1.00 0.00 O > ATOM 97 CB ALA A 10 7.441 11.026 0.264 1.00 0.00 C > ATOM 98 H ALA A 10 6.396 9.737 2.196 1.00 0.00 H > ATOM 99 HA ALA A 10 8.182 11.978 2.031 1.00 0.00 H > ATOM 100 1HB ALA A 10 7.832 11.788 -0.410 1.00 0.00 H > ATOM 101 2HB ALA A 10 8.154 10.204 0.336 1.00 0.00 H > ATOM 102 3HB ALA A 10 6.494 10.652 -0.121 1.00 0.00 H > ATOM 103 N ALA A 11 5.006 12.597 1.779 1.00 0.00 N > ATOM 104 CA ALA A 11 4.013 13.665 1.746 1.00 0.00 C > ATOM 105 C ALA A 11 3.628 14.102 3.154 1.00 0.00 C > ATOM 106 O ALA A 11 3.900 15.232 3.559 1.00 0.00 O > ATOM 107 CB ALA A 11 2.780 13.218 0.975 1.00 0.00 C > ATOM 108 H ALA A 11 4.707 11.653 1.978 1.00 0.00 H > ATOM 109 HA ALA A 11 4.455 14.522 1.239 1.00 0.00 H > ATOM 110 1HB ALA A 11 2.048 14.026 0.959 1.00 0.00 H > ATOM 111 2HB ALA A 11 3.062 12.964 -0.047 1.00 0.00 H > ATOM 112 3HB ALA A 11 2.345 12.345 1.459 1.00 0.00 H > ATOM 113 N ALA A 12 2.994 13.200 3.895 1.00 0.00 N > ATOM 114 CA ALA A 12 2.413 13.543 5.188 1.00 0.00 C > ATOM 115 C ALA A 12 3.486 13.984 6.175 1.00 0.00 C > ATOM 116 O ALA A 12 3.275 14.904 6.965 1.00 0.00 O > ATOM 117 CB ALA A 12 1.633 12.363 5.748 1.00 0.00 C > ATOM 118 H ALA A 12 2.912 12.253 3.555 1.00 0.00 H > ATOM 119 HA ALA A 12 1.730 14.380 5.041 1.00 0.00 H > ATOM 120 1HB ALA A 12 1.205 12.634 6.713 1.00 0.00 H > ATOM 121 2HB ALA A 12 0.832 12.096 5.058 1.00 0.00 H > ATOM 122 3HB ALA A 12 2.301 11.512 5.874 1.00 0.00 H > ATOM 123 N ALA A 13 4.637 13.323 6.124 1.00 0.00 N > ATOM 124 CA ALA A 13 5.674 13.511 7.132 1.00 0.00 C > ATOM 125 C ALA A 13 6.789 14.411 6.614 1.00 0.00 C > ATOM 126 O ALA A 13 7.843 14.530 7.238 1.00 0.00 O > ATOM 127 CB ALA A 13 6.238 12.167 7.568 1.00 0.00 C > ATOM 128 H ALA A 13 4.799 12.674 5.367 1.00 0.00 H > ATOM 129 HA ALA A 13 5.222 14.002 7.994 1.00 0.00 H > ATOM 130 1HB ALA A 13 7.011 12.324 8.321 1.00 0.00 H > ATOM 131 2HB ALA A 13 5.439 11.557 7.990 1.00 0.00 H > ATOM 132 3HB ALA A 13 6.668 11.657 6.708 1.00 0.00 H > ATOM 133 N ALA A 14 6.550 15.042 5.470 1.00 0.00 N > ATOM 134 CA ALA A 14 7.546 15.907 4.850 1.00 0.00 C > ATOM 135 C ALA A 14 6.939 17.245 4.445 1.00 0.00 C > ATOM 136 O ALA A 14 7.628 18.264 4.408 1.00 0.00 O > ATOM 137 CB ALA A 14 8.165 15.221 3.641 1.00 0.00 C > ATOM 138 H ALA A 14 5.655 14.920 5.018 1.00 0.00 H > ATOM 139 HA ALA A 14 8.328 16.104 5.583 1.00 0.00 H > ATOM 140 1HB ALA A 14 8.907 15.879 3.189 1.00 0.00 H > ATOM 141 2HB ALA A 14 8.646 14.295 3.955 1.00 0.00 H > ATOM 142 3HB ALA A 14 7.388 14.996 2.912 1.00 0.00 H > ATOM 143 N ALA A 15 5.645 17.234 4.143 1.00 0.00 N > ATOM 144 CA ALA A 15 4.941 18.448 3.747 1.00 0.00 C > ATOM 145 C ALA A 15 3.879 18.827 4.771 1.00 0.00 C > ATOM 146 O ALA A 15 3.822 19.970 5.227 1.00 0.00 O > ATOM 147 CB ALA A 15 4.312 18.272 2.373 1.00 0.00 C > ATOM 148 H ALA A 15 5.136 16.363 4.188 1.00 0.00 H > ATOM 149 HA ALA A 15 5.666 19.261 3.702 1.00 0.00 H > ATOM 150 1HB ALA A 15 3.789 19.186 2.092 1.00 0.00 H > ATOM 151 2HB ALA A 15 5.090 18.058 1.641 1.00 0.00 H > ATOM 152 3HB ALA A 15 3.604 17.444 2.401 1.00 0.00 H > ATOM 153 N ALA A 16 3.039 17.863 5.130 1.00 0.00 N > ATOM 154 CA ALA A 16 1.966 18.098 6.089 1.00 0.00 C > ATOM 155 C ALA A 16 2.521 18.364 7.482 1.00 0.00 C > ATOM 156 O ALA A 16 2.093 19.295 8.164 1.00 0.00 O > ATOM 157 CB ALA A 16 1.011 16.914 6.116 1.00 0.00 C > ATOM 158 H ALA A 16 3.146 16.942 4.728 1.00 0.00 H > ATOM 159 HA ALA A 16 1.418 18.986 5.773 1.00 0.00 H > ATOM 160 1HB ALA A 16 0.215 17.105 6.837 1.00 0.00 H > ATOM 161 2HB ALA A 16 0.577 16.773 5.126 1.00 0.00 H > ATOM 162 3HB ALA A 16 1.554 16.016 6.406 1.00 0.00 H > ATOM 163 N ALA A 17 3.476 17.540 7.900 1.00 0.00 N > ATOM 164 CA ALA A 17 4.130 17.717 9.191 1.00 0.00 C > ATOM 165 C ALA A 17 4.968 18.989 9.213 1.00 0.00 C > ATOM 166 O ALA A 17 5.032 19.684 10.227 1.00 0.00 O > ATOM 167 CB ALA A 17 4.995 16.508 9.517 1.00 0.00 C > ATOM 168 H ALA A 17 3.755 16.770 7.308 1.00 0.00 H > ATOM 169 HA ALA A 17 3.356 17.813 9.952 1.00 0.00 H > ATOM 170 1HB ALA A 17 5.477 16.656 10.484 1.00 0.00 H > ATOM 171 2HB ALA A 17 4.371 15.615 9.555 1.00 0.00 H > ATOM 172 3HB ALA A 17 5.755 16.387 8.747 1.00 0.00 H > ATOM 173 N ALA A 18 5.610 19.288 8.089 1.00 0.00 N > ATOM 174 CA ALA A 18 6.540 20.409 8.013 1.00 0.00 C > ATOM 175 C ALA A 18 5.797 21.733 7.893 1.00 0.00 C > ATOM 176 O ALA A 18 5.917 22.604 8.756 1.00 0.00 O > ATOM 177 CB ALA A 18 7.492 20.228 6.840 1.00 0.00 C > ATOM 178 H ALA A 18 5.450 18.725 7.266 1.00 0.00 H > ATOM 179 HA ALA A 18 7.118 20.432 8.937 1.00 0.00 H > ATOM 180 1HB ALA A 18 8.180 21.073 6.796 1.00 0.00 H > ATOM 181 2HB ALA A 18 8.058 19.306 6.969 1.00 0.00 H > ATOM 182 3HB ALA A 18 6.922 20.177 5.913 1.00 0.00 H > ATOM 183 N ALA A 19 5.029 21.881 6.819 1.00 0.00 N > ATOM 184 CA ALA A 19 4.417 23.161 6.484 1.00 0.00 C > ATOM 185 C ALA A 19 3.029 23.286 7.100 1.00 0.00 C > ATOM 186 O ALA A 19 2.670 24.333 7.638 1.00 0.00 O > ATOM 187 CB ALA A 19 4.344 23.334 4.974 1.00 0.00 C > ATOM 188 H ALA A 19 4.865 21.085 6.219 1.00 0.00 H > ATOM 189 HA ALA A 19 5.040 23.953 6.901 1.00 0.00 H > ATOM 190 1HB ALA A 19 3.885 24.295 4.740 1.00 0.00 H > ATOM 191 2HB ALA A 19 5.349 23.301 4.555 1.00 0.00 H > ATOM 192 3HB ALA A 19 3.746 22.532 4.545 1.00 0.00 H > ATOM 193 N ALA A 20 2.252 22.211 7.017 1.00 0.00 N > ATOM 194 CA ALA A 20 0.845 22.252 7.396 1.00 0.00 C > ATOM 195 C ALA A 20 0.663 21.926 8.873 1.00 0.00 C > ATOM 196 O ALA A 20 -0.450 21.667 9.329 1.00 0.00 O > ATOM 197 CB ALA A 20 0.037 21.290 6.539 1.00 0.00 C > ATOM 198 H ALA A 20 2.647 21.343 6.682 1.00 0.00 H > ATOM 199 HA ALA A 20 0.479 23.266 7.231 1.00 0.00 H > ATOM 200 1HB ALA A 20 -1.012 21.332 6.834 1.00 0.00 H > ATOM 201 2HB ALA A 20 0.130 21.571 5.490 1.00 0.00 H > ATOM 202 3HB ALA A 20 0.412 20.277 6.677 1.00 0.00 H > ATOM 203 N ALA A 21 1.764 21.940 9.617 1.00 0.00 N > ATOM 204 CA ALA A 21 1.730 21.635 11.042 1.00 0.00 C > ATOM 205 C ALA A 21 2.693 22.523 11.819 1.00 0.00 C > ATOM 206 O ALA A 21 2.371 23.004 12.905 1.00 0.00 O > ATOM 207 CB ALA A 21 2.056 20.167 11.278 1.00 0.00 C > ATOM 208 H ALA A 21 2.648 22.168 9.184 1.00 0.00 H > ATOM 209 HA ALA A 21 0.723 21.836 11.407 1.00 0.00 H > ATOM 210 1HB ALA A 21 2.026 19.955 12.347 1.00 0.00 H > ATOM 211 2HB ALA A 21 1.324 19.545 10.764 1.00 0.00 H > ATOM 212 3HB ALA A 21 3.051 19.950 10.893 1.00 0.00 H > ATOM 213 N ALA A 22 3.878 22.737 11.256 1.00 0.00 N > ATOM 214 CA ALA A 22 4.919 23.504 11.929 1.00 0.00 C > ATOM 215 C ALA A 22 4.962 24.939 11.420 1.00 0.00 C > ATOM 216 O ALA A 22 4.750 25.884 12.180 1.00 0.00 O > ATOM 217 CB ALA A 22 6.273 22.836 11.743 1.00 0.00 C > ATOM 218 H ALA A 22 4.061 22.358 10.338 1.00 0.00 H > ATOM 219 HA ALA A 22 4.683 23.533 12.993 1.00 0.00 H > ATOM 220 1HB ALA A 22 7.040 23.420 12.251 1.00 0.00 H > ATOM 221 2HB ALA A 22 6.244 21.831 12.164 1.00 0.00 H > ATOM 222 3HB ALA A 22 6.507 22.777 10.681 1.00 0.00 H > ATOM 223 N ALA A 23 5.239 25.096 10.130 1.00 0.00 N > ATOM 224 CA ALA A 23 5.370 26.419 9.531 1.00 0.00 C > ATOM 225 C ALA A 23 4.063 27.196 9.619 1.00 0.00 C > ATOM 226 O ALA A 23 4.057 28.385 9.939 1.00 0.00 O > ATOM 227 CB ALA A 23 5.819 26.301 8.081 1.00 0.00 C > ATOM 228 H ALA A 23 5.361 24.278 9.550 1.00 0.00 H > ATOM 229 HA ALA A 23 6.126 26.970 10.090 1.00 0.00 H > ATOM 230 1HB ALA A 23 5.912 27.296 7.647 1.00 0.00 H > ATOM 231 2HB ALA A 23 6.783 25.794 8.039 1.00 0.00 H > ATOM 232 3HB ALA A 23 5.083 25.728 7.519 1.00 0.00 H > ATOM 233 N ALA A 24 2.957 26.518 9.333 1.00 0.00 N > ATOM 234 CA ALA A 24 1.637 27.129 9.430 1.00 0.00 C > ATOM 235 C ALA A 24 0.741 26.357 10.390 1.00 0.00 C > ATOM 236 O ALA A 24 0.882 25.144 10.546 1.00 0.00 O > ATOM 237 OXT ALA A 24 -0.114 26.931 11.005 1.00 0.00 O > ATOM 238 CB ALA A 24 0.990 27.214 8.055 1.00 0.00 C > ATOM 239 H ALA A 24 3.032 25.554 9.041 1.00 0.00 H > ATOM 240 HA ALA A 24 1.759 28.138 9.825 1.00 0.00 H > ATOM 241 1HB ALA A 24 0.005 27.673 8.144 1.00 0.00 H > ATOM 242 2HB ALA A 24 1.614 27.818 7.396 1.00 0.00 H > ATOM 243 3HB ALA A 24 0.887 26.213 7.640 1.00 0.00 H 526,550c526,550 < pose -72.4981 16.3424 39.6868 0.02332 0.63469 0 -5.51429 -6.49404 0 0 0 3.04765 3.50729 0 -1.66065 0 18.5698 -4.35514 < ALA:NtermProteinFull_1 -1.83286 0.40407 1.34826 0.00105 0.27369 0 0 0 0 0 0 0 0.16115 0 0 0 0.77374 1.1291 < ALA_2 -2.84538 0.70397 1.52272 0.00105 0.09163 0 0 0 0 0 0 -0.35172 0.07166 0 -0.11407 0 0.77374 -0.14641 < ALA_3 -2.6014 1.30149 1.5667 0.00096 0.20224 0 0 0 0 0 0 -0.25118 0.07307 0 -0.23434 0 0.77374 0.83129 < ALA_4 -2.86693 0.46105 1.53392 0.00079 0.25574 0 0 0 0 0 0 0.20486 0.18279 0 0.11124 0 0.77374 0.6572 < ALA_5 -2.50543 0.38416 1.24417 0.0009 0.18177 0 0 0 0 0 0 -0.11593 0.20332 0 -0.14794 0 0.77374 0.01876 < ALA_6 -3.91733 0.49675 2.09107 0.00068 -0.47279 0 0 0 0 0 0 0.50899 0.30442 0 0.17469 0 0.77374 -0.03978 < ALA_7 -3.46442 1.27186 1.79225 0.00095 -0.206 0 0 0 0 0 0 -0.29534 0.09444 0 -0.2393 0 0.77374 -0.2718 < ALA_8 -3.11146 0.49871 1.4028 0.00152 0.03881 0 0 0 0 0 0 -0.13436 0.08343 0 0.06339 0 0.77374 -0.38341 < ALA_9 -4.06649 0.674 2.17922 0.00068 0.13571 0 0 0 0 0 0 0.60336 0.01522 0 -0.34347 0 0.77374 -0.02804 < ALA_10 -2.30443 1.00242 1.192 0.00099 0.05771 0 0 0 0 0 0 -0.3464 0.0104 0 -0.13429 0 0.77374 0.25213 < ALA_11 -3.99926 0.58213 2.16085 0.0007 -0.40454 0 0 0 0 0 0 0.65911 0.42111 0 -0.09636 0 0.77374 0.09747 < ALA_12 -3.80647 0.85434 1.87207 0.00094 -0.24225 0 0 0 0 0 0 -0.25398 0.5249 0 -0.23952 0 0.77374 -0.51624 < ALA_13 -2.80299 0.43165 1.28632 0.0018 0.01577 0 0 0 0 0 0 0.00511 0.01601 0 0.29614 0 0.77374 0.02355 < ALA_14 -2.84278 1.0571 1.48258 0.00078 0.18881 0 0 0 0 0 0 0.68632 0.00083 0 -0.01868 0 0.77374 1.32869 < ALA_15 -3.42699 0.21023 1.93656 0.00068 -0.25296 0 0 0 0 0 0 0.50022 0.00412 0 0.13122 0 0.77374 -0.12319 < ALA_16 -3.82972 1.03105 1.99507 0.0009 0.16783 0 0 0 0 0 0 -0.08802 0.03475 0 -0.12926 0 0.77374 -0.04366 < ALA_17 -3.20695 0.60277 1.62191 0.00093 0.03606 0 0 0 0 0 0 -0.25855 0.17671 0 -0.17444 0 0.77374 -0.4278 < ALA_18 -3.53116 0.9287 1.89683 0.00083 -0.16226 0 0 0 0 0 0 0.35486 0.49169 0 0.01461 0 0.77374 0.76784 < ALA_19 -3.55014 0.71135 1.96098 0.00079 -0.20088 0 0 0 0 0 0 0.22738 0.44008 0 0.10003 0 0.77374 0.46332 < ALA_20 -2.4855 0.45134 1.35004 0.00203 -0.05193 0 0 0 0 0 0 0.05246 0.00079 0 0.06694 0 0.77374 0.15991 < ALA_21 -2.85678 0.9814 1.73022 0.00074 0.25514 0 0 0 0 0 0 0.88804 0.09589 0 -0.46871 0 0.77374 1.39968 < ALA_22 -2.41516 0.86954 1.50746 0.00072 0.42781 0 0 0 0 0 0 0.6299 0.06734 0 -0.07012 0 0.77374 1.79123 < ALA_23 -1.81849 0.31124 0.94929 0.00092 0.14949 0 0 0 0 0 0 -0.17748 0.03315 0 -0.20841 0 0.77374 0.01346 < ALA:CtermProteinFull_24 -2.40954 0.12109 2.0635 0.00099 0.1501 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.69989 --- > pose -72.6323 16.4611 39.7637 0.02332 0.61708 0 -5.49896 -6.48205 0 0 0 3.05541 3.53724 0 -1.64892 0 18.5698 -4.23452 > ALA:NtermProteinFull_1 -1.83308 0.38503 1.34784 0.00105 0.2697 0 0 0 0 0 0 0 0.16291 0 0 0 0.77374 1.10719 > ALA_2 -2.85767 0.7265 1.52664 0.00104 0.09046 0 0 0 0 0 0 -0.35603 0.08115 0 -0.11172 0 0.77374 -0.1259 > ALA_3 -2.59483 1.21348 1.56268 0.00096 0.2014 0 0 0 0 0 0 -0.24634 0.07557 0 -0.2314 0 0.77374 0.75526 > ALA_4 -2.87953 0.47353 1.5405 0.00078 0.26189 0 0 0 0 0 0 0.21238 0.18554 0 0.11865 0 0.77374 0.68749 > ALA_5 -2.50013 0.39602 1.24101 0.00091 0.18104 0 0 0 0 0 0 -0.12009 0.19774 0 -0.15327 0 0.77374 0.01696 > ALA_6 -3.9095 0.50023 2.08817 0.00068 -0.47436 0 0 0 0 0 0 0.51042 0.33023 0 0.17741 0 0.77374 -0.00296 > ALA_7 -3.47298 1.21097 1.79838 0.00095 -0.21024 0 0 0 0 0 0 -0.29684 0.0848 0 -0.23747 0 0.77374 -0.34869 > ALA_8 -3.11237 0.4969 1.40372 0.00153 0.03724 0 0 0 0 0 0 -0.13384 0.0795 0 0.06036 0 0.77374 -0.39321 > ALA_9 -4.07031 0.67547 2.18296 0.00068 0.13353 0 0 0 0 0 0 0.59943 0.01438 0 -0.33764 0 0.77374 -0.02777 > ALA_10 -2.3008 1.03497 1.19036 0.00099 0.05189 0 0 0 0 0 0 -0.347 0.00697 0 -0.13824 0 0.77374 0.27289 > ALA_11 -3.99484 0.58357 2.15706 0.0007 -0.39943 0 0 0 0 0 0 0.65736 0.43464 0 -0.10027 0 0.77374 0.11253 > ALA_12 -3.79883 0.82824 1.86728 0.00094 -0.2436 0 0 0 0 0 0 -0.2568 0.50124 0 -0.23676 0 0.77374 -0.56455 > ALA_13 -2.80271 0.42414 1.28487 0.00181 0.01692 0 0 0 0 0 0 0.00931 0.01397 0 0.30012 0 0.77374 0.02218 > ALA_14 -2.84708 1.08019 1.48399 0.00078 0.19057 0 0 0 0 0 0 0.68343 0.00066 0 -0.02214 0 0.77374 1.34414 > ALA_15 -3.4396 0.21651 1.94429 0.00068 -0.25243 0 0 0 0 0 0 0.50538 0.0039 0 0.13657 0 0.77374 -0.11095 > ALA_16 -3.82804 1.00531 1.99481 0.0009 0.17024 0 0 0 0 0 0 -0.08684 0.04206 0 -0.13021 0 0.77374 -0.05803 > ALA_17 -3.22223 0.62034 1.63098 0.00093 0.03688 0 0 0 0 0 0 -0.2515 0.19757 0 -0.18384 0 0.77374 -0.39714 > ALA_18 -3.53715 1.03715 1.89962 0.00083 -0.16073 0 0 0 0 0 0 0.35722 0.49165 0 0.00853 0 0.77374 0.87088 > ALA_19 -3.55282 0.70021 1.95936 0.00079 -0.2103 0 0 0 0 0 0 0.22633 0.46309 0 0.10271 0 0.77374 0.46311 > ALA_20 -2.49698 0.4428 1.3516 0.00202 -0.05445 0 0 0 0 0 0 0.04556 0.00147 0 0.06548 0 0.77374 0.13124 > ALA_21 -2.88325 1.00045 1.75341 0.00074 0.25829 0 0 0 0 0 0 0.89479 0.08106 0 -0.46795 0 0.77374 1.41128 > ALA_22 -2.43933 0.98283 1.52108 0.00072 0.42819 0 0 0 0 0 0 0.62582 0.05046 0 -0.05929 0 0.77374 1.88424 > ALA_23 -1.83182 0.30614 0.95818 0.00092 0.15004 0 0 0 0 0 0 -0.17675 0.03667 0 -0.20853 0 0.77374 0.00859 > ALA:CtermProteinFull_24 -2.42642 0.12014 2.07494 0.00099 0.14433 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.68773 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0008.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0008.pdb 13c13 < ATOM 4 O ALA A 1 1.258 2.387 0.127 1.00 0.00 O --- > ATOM 4 O ALA A 1 1.258 2.387 0.128 1.00 0.00 O 23,252c23,252 < ATOM 14 CA ALA A 2 3.980 2.841 -0.145 1.00 0.00 C < ATOM 15 C ALA A 2 5.423 2.731 -0.621 1.00 0.00 C < ATOM 16 O ALA A 2 5.871 3.510 -1.462 1.00 0.00 O < ATOM 17 CB ALA A 2 3.927 3.463 1.242 1.00 0.00 C < ATOM 18 H ALA A 2 3.885 0.706 -0.254 1.00 0.00 H < ATOM 19 HA ALA A 2 3.447 3.488 -0.843 1.00 0.00 H < ATOM 20 1HB ALA A 2 4.421 4.435 1.225 1.00 0.00 H < ATOM 21 2HB ALA A 2 2.887 3.590 1.545 1.00 0.00 H < ATOM 22 3HB ALA A 2 4.434 2.812 1.952 1.00 0.00 H < ATOM 23 N ALA A 3 6.147 1.758 -0.077 1.00 0.00 N < ATOM 24 CA ALA A 3 7.534 1.527 -0.464 1.00 0.00 C < ATOM 25 C ALA A 3 7.714 0.139 -1.065 1.00 0.00 C < ATOM 26 O ALA A 3 8.772 -0.475 -0.926 1.00 0.00 O < ATOM 27 CB ALA A 3 8.455 1.709 0.733 1.00 0.00 C < ATOM 28 H ALA A 3 5.726 1.163 0.622 1.00 0.00 H < ATOM 29 HA ALA A 3 7.798 2.258 -1.228 1.00 0.00 H < ATOM 30 1HB ALA A 3 9.487 1.533 0.428 1.00 0.00 H < ATOM 31 2HB ALA A 3 8.358 2.725 1.116 1.00 0.00 H < ATOM 32 3HB ALA A 3 8.182 1.000 1.513 1.00 0.00 H < ATOM 33 N ALA A 4 6.675 -0.351 -1.733 1.00 0.00 N < ATOM 34 CA ALA A 4 6.710 -1.675 -2.342 1.00 0.00 C < ATOM 35 C ALA A 4 7.812 -1.770 -3.389 1.00 0.00 C < ATOM 36 O ALA A 4 8.392 -2.836 -3.599 1.00 0.00 O < ATOM 37 CB ALA A 4 5.361 -2.010 -2.961 1.00 0.00 C < ATOM 38 H ALA A 4 5.839 0.209 -1.821 1.00 0.00 H < ATOM 39 HA ALA A 4 6.930 -2.402 -1.559 1.00 0.00 H < ATOM 40 1HB ALA A 4 5.404 -3.002 -3.411 1.00 0.00 H < ATOM 41 2HB ALA A 4 4.592 -1.995 -2.188 1.00 0.00 H < ATOM 42 3HB ALA A 4 5.120 -1.274 -3.726 1.00 0.00 H < ATOM 43 N ALA A 5 8.097 -0.650 -4.045 1.00 0.00 N < ATOM 44 CA ALA A 5 9.155 -0.596 -5.046 1.00 0.00 C < ATOM 45 C ALA A 5 10.261 0.364 -4.627 1.00 0.00 C < ATOM 46 O ALA A 5 10.888 1.009 -5.467 1.00 0.00 O < ATOM 47 CB ALA A 5 8.586 -0.190 -6.397 1.00 0.00 C < ATOM 48 H ALA A 5 7.566 0.186 -3.844 1.00 0.00 H < ATOM 49 HA ALA A 5 9.592 -1.591 -5.131 1.00 0.00 H < ATOM 50 1HB ALA A 5 9.388 -0.154 -7.134 1.00 0.00 H < ATOM 51 2HB ALA A 5 7.838 -0.918 -6.711 1.00 0.00 H < ATOM 52 3HB ALA A 5 8.124 0.793 -6.316 1.00 0.00 H < ATOM 53 N ALA A 6 10.497 0.454 -3.322 1.00 0.00 N < ATOM 54 CA ALA A 6 11.562 1.297 -2.793 1.00 0.00 C < ATOM 55 C ALA A 6 12.695 0.456 -2.218 1.00 0.00 C < ATOM 56 O ALA A 6 13.625 0.079 -2.932 1.00 0.00 O < ATOM 57 CB ALA A 6 11.014 2.241 -1.732 1.00 0.00 C < ATOM 58 H ALA A 6 9.923 -0.075 -2.681 1.00 0.00 H < ATOM 59 HA ALA A 6 11.968 1.887 -3.615 1.00 0.00 H < ATOM 60 1HB ALA A 6 11.821 2.863 -1.346 1.00 0.00 H < ATOM 61 2HB ALA A 6 10.245 2.875 -2.173 1.00 0.00 H < ATOM 62 3HB ALA A 6 10.582 1.661 -0.918 1.00 0.00 H < ATOM 63 N ALA A 7 12.612 0.166 -0.924 1.00 0.00 N < ATOM 64 CA ALA A 7 13.622 -0.645 -0.255 1.00 0.00 C < ATOM 65 C ALA A 7 13.025 -1.411 0.918 1.00 0.00 C < ATOM 66 O ALA A 7 13.657 -2.312 1.470 1.00 0.00 O < ATOM 67 CB ALA A 7 14.776 0.229 0.216 1.00 0.00 C < ATOM 68 H ALA A 7 11.829 0.515 -0.391 1.00 0.00 H < ATOM 69 HA ALA A 7 14.001 -1.374 -0.972 1.00 0.00 H < ATOM 70 1HB ALA A 7 15.522 -0.391 0.714 1.00 0.00 H < ATOM 71 2HB ALA A 7 15.230 0.725 -0.642 1.00 0.00 H < ATOM 72 3HB ALA A 7 14.404 0.978 0.913 1.00 0.00 H < ATOM 73 N ALA A 8 11.804 -1.047 1.296 1.00 0.00 N < ATOM 74 CA ALA A 8 11.096 -1.738 2.367 1.00 0.00 C < ATOM 75 C ALA A 8 10.789 -3.180 1.985 1.00 0.00 C < ATOM 76 O ALA A 8 10.959 -4.095 2.790 1.00 0.00 O < ATOM 77 CB ALA A 8 9.813 -0.998 2.717 1.00 0.00 C < ATOM 78 H ALA A 8 11.355 -0.273 0.829 1.00 0.00 H < ATOM 79 HA ALA A 8 11.743 -1.755 3.245 1.00 0.00 H < ATOM 80 1HB ALA A 8 9.296 -1.526 3.518 1.00 0.00 H < ATOM 81 2HB ALA A 8 10.053 0.013 3.044 1.00 0.00 H < ATOM 82 3HB ALA A 8 9.170 -0.952 1.839 1.00 0.00 H < ATOM 83 N ALA A 9 10.337 -3.376 0.751 1.00 0.00 N < ATOM 84 CA ALA A 9 10.074 -4.714 0.235 1.00 0.00 C < ATOM 85 C ALA A 9 11.354 -5.535 0.157 1.00 0.00 C < ATOM 86 O ALA A 9 11.349 -6.737 0.422 1.00 0.00 O < ATOM 87 CB ALA A 9 9.413 -4.634 -1.133 1.00 0.00 C < ATOM 88 H ALA A 9 10.170 -2.577 0.156 1.00 0.00 H < ATOM 89 HA ALA A 9 9.397 -5.216 0.926 1.00 0.00 H < ATOM 90 1HB ALA A 9 9.223 -5.640 -1.505 1.00 0.00 H < ATOM 91 2HB ALA A 9 8.469 -4.094 -1.050 1.00 0.00 H < ATOM 92 3HB ALA A 9 10.071 -4.110 -1.824 1.00 0.00 H < ATOM 93 N ALA A 10 12.451 -4.879 -0.209 1.00 0.00 N < ATOM 94 CA ALA A 10 13.758 -5.525 -0.233 1.00 0.00 C < ATOM 95 C ALA A 10 14.166 -5.994 1.158 1.00 0.00 C < ATOM 96 O ALA A 10 14.681 -7.099 1.325 1.00 0.00 O < ATOM 97 CB ALA A 10 14.805 -4.579 -0.801 1.00 0.00 C < ATOM 98 H ALA A 10 12.377 -3.908 -0.477 1.00 0.00 H < ATOM 99 HA ALA A 10 13.690 -6.404 -0.874 1.00 0.00 H < ATOM 100 1HB ALA A 10 15.776 -5.076 -0.813 1.00 0.00 H < ATOM 101 2HB ALA A 10 14.529 -4.299 -1.818 1.00 0.00 H < ATOM 102 3HB ALA A 10 14.863 -3.686 -0.182 1.00 0.00 H < ATOM 103 N ALA A 11 13.934 -5.146 2.154 1.00 0.00 N < ATOM 104 CA ALA A 11 14.208 -5.500 3.542 1.00 0.00 C < ATOM 105 C ALA A 11 13.347 -6.674 3.991 1.00 0.00 C < ATOM 106 O ALA A 11 13.804 -7.542 4.736 1.00 0.00 O < ATOM 107 CB ALA A 11 13.982 -4.301 4.450 1.00 0.00 C < ATOM 108 H ALA A 11 13.557 -4.232 1.945 1.00 0.00 H < ATOM 109 HA ALA A 11 15.252 -5.805 3.613 1.00 0.00 H < ATOM 110 1HB ALA A 11 14.191 -4.581 5.482 1.00 0.00 H < ATOM 111 2HB ALA A 11 14.646 -3.489 4.153 1.00 0.00 H < ATOM 112 3HB ALA A 11 12.947 -3.971 4.366 1.00 0.00 H < ATOM 113 N ALA A 12 12.100 -6.696 3.533 1.00 0.00 N < ATOM 114 CA ALA A 12 11.203 -7.812 3.808 1.00 0.00 C < ATOM 115 C ALA A 12 11.737 -9.108 3.212 1.00 0.00 C < ATOM 116 O ALA A 12 11.677 -10.163 3.842 1.00 0.00 O < ATOM 117 CB ALA A 12 9.810 -7.516 3.270 1.00 0.00 C < ATOM 118 H ALA A 12 11.765 -5.919 2.981 1.00 0.00 H < ATOM 119 HA ALA A 12 11.144 -7.941 4.889 1.00 0.00 H < ATOM 120 1HB ALA A 12 9.152 -8.358 3.483 1.00 0.00 H < ATOM 121 2HB ALA A 12 9.418 -6.619 3.749 1.00 0.00 H < ATOM 122 3HB ALA A 12 9.862 -7.359 2.194 1.00 0.00 H < ATOM 123 N ALA A 13 12.259 -9.021 1.993 1.00 0.00 N < ATOM 124 CA ALA A 13 12.856 -10.175 1.332 1.00 0.00 C < ATOM 125 C ALA A 13 14.163 -10.579 2.002 1.00 0.00 C < ATOM 126 O ALA A 13 14.535 -11.753 2.002 1.00 0.00 O < ATOM 127 CB ALA A 13 13.087 -9.880 -0.143 1.00 0.00 C < ATOM 128 H ALA A 13 12.241 -8.133 1.512 1.00 0.00 H < ATOM 129 HA ALA A 13 12.163 -11.012 1.420 1.00 0.00 H < ATOM 130 1HB ALA A 13 13.533 -10.751 -0.623 1.00 0.00 H < ATOM 131 2HB ALA A 13 12.135 -9.650 -0.622 1.00 0.00 H < ATOM 132 3HB ALA A 13 13.757 -9.028 -0.243 1.00 0.00 H < ATOM 133 N ALA A 14 14.856 -9.600 2.572 1.00 0.00 N < ATOM 134 CA ALA A 14 16.144 -9.845 3.212 1.00 0.00 C < ATOM 135 C ALA A 14 15.983 -10.050 4.712 1.00 0.00 C < ATOM 136 O ALA A 14 15.934 -11.183 5.192 1.00 0.00 O < ATOM 137 CB ALA A 14 17.100 -8.694 2.934 1.00 0.00 C < ATOM 138 H ALA A 14 14.482 -8.662 2.563 1.00 0.00 H < ATOM 139 HA ALA A 14 16.562 -10.760 2.792 1.00 0.00 H < ATOM 140 1HB ALA A 14 18.057 -8.891 3.418 1.00 0.00 H < ATOM 141 2HB ALA A 14 17.250 -8.597 1.859 1.00 0.00 H < ATOM 142 3HB ALA A 14 16.679 -7.769 3.327 1.00 0.00 H < ATOM 143 N ALA A 15 15.903 -8.948 5.450 1.00 0.00 N < ATOM 144 CA ALA A 15 15.985 -8.992 6.905 1.00 0.00 C < ATOM 145 C ALA A 15 14.890 -9.873 7.492 1.00 0.00 C < ATOM 146 O ALA A 15 15.128 -10.634 8.430 1.00 0.00 O < ATOM 147 CB ALA A 15 15.900 -7.587 7.483 1.00 0.00 C < ATOM 148 H ALA A 15 15.782 -8.056 4.991 1.00 0.00 H < ATOM 149 HA ALA A 15 16.946 -9.428 7.177 1.00 0.00 H < ATOM 150 1HB ALA A 15 15.963 -7.637 8.570 1.00 0.00 H < ATOM 151 2HB ALA A 15 16.724 -6.985 7.099 1.00 0.00 H < ATOM 152 3HB ALA A 15 14.954 -7.132 7.195 1.00 0.00 H < ATOM 153 N ALA A 16 13.689 -9.766 6.934 1.00 0.00 N < ATOM 154 CA ALA A 16 12.512 -10.395 7.522 1.00 0.00 C < ATOM 155 C ALA A 16 12.343 -11.824 7.023 1.00 0.00 C < ATOM 156 O ALA A 16 11.456 -12.548 7.473 1.00 0.00 O < ATOM 157 CB ALA A 16 11.265 -9.577 7.216 1.00 0.00 C < ATOM 158 H ALA A 16 13.588 -9.235 6.081 1.00 0.00 H < ATOM 159 HA ALA A 16 12.653 -10.433 8.603 1.00 0.00 H < ATOM 160 1HB ALA A 16 10.395 -10.059 7.662 1.00 0.00 H < ATOM 161 2HB ALA A 16 11.377 -8.575 7.631 1.00 0.00 H < ATOM 162 3HB ALA A 16 11.130 -9.510 6.138 1.00 0.00 H < ATOM 163 N ALA A 17 13.201 -12.224 6.089 1.00 0.00 N < ATOM 164 CA ALA A 17 13.105 -13.543 5.476 1.00 0.00 C < ATOM 165 C ALA A 17 14.464 -14.228 5.428 1.00 0.00 C < ATOM 166 O ALA A 17 14.687 -15.234 6.101 1.00 0.00 O < ATOM 167 CB ALA A 17 12.517 -13.435 4.076 1.00 0.00 C < ATOM 168 H ALA A 17 13.938 -11.598 5.798 1.00 0.00 H < ATOM 169 HA ALA A 17 12.444 -14.155 6.090 1.00 0.00 H < ATOM 170 1HB ALA A 17 12.452 -14.428 3.631 1.00 0.00 H < ATOM 171 2HB ALA A 17 11.521 -12.996 4.133 1.00 0.00 H < ATOM 172 3HB ALA A 17 13.156 -12.803 3.462 1.00 0.00 H < ATOM 173 N ALA A 18 15.371 -13.677 4.628 1.00 0.00 N < ATOM 174 CA ALA A 18 16.683 -14.280 4.427 1.00 0.00 C < ATOM 175 C ALA A 18 17.466 -14.343 5.733 1.00 0.00 C < ATOM 176 O ALA A 18 18.074 -15.364 6.054 1.00 0.00 O < ATOM 177 CB ALA A 18 17.467 -13.506 3.377 1.00 0.00 C < ATOM 178 H ALA A 18 15.145 -12.818 4.147 1.00 0.00 H < ATOM 179 HA ALA A 18 16.536 -15.301 4.076 1.00 0.00 H < ATOM 180 1HB ALA A 18 18.444 -13.968 3.239 1.00 0.00 H < ATOM 181 2HB ALA A 18 16.922 -13.519 2.433 1.00 0.00 H < ATOM 182 3HB ALA A 18 17.597 -12.476 3.707 1.00 0.00 H < ATOM 183 N ALA A 19 17.447 -13.245 6.481 1.00 0.00 N < ATOM 184 CA ALA A 19 18.176 -13.165 7.742 1.00 0.00 C < ATOM 185 C ALA A 19 17.391 -13.815 8.874 1.00 0.00 C < ATOM 186 O ALA A 19 17.971 -14.323 9.833 1.00 0.00 O < ATOM 187 CB ALA A 19 18.491 -11.716 8.081 1.00 0.00 C < ATOM 188 H ALA A 19 16.914 -12.446 6.170 1.00 0.00 H < ATOM 189 HA ALA A 19 19.111 -13.712 7.627 1.00 0.00 H < ATOM 190 1HB ALA A 19 19.035 -11.672 9.024 1.00 0.00 H < ATOM 191 2HB ALA A 19 19.102 -11.282 7.289 1.00 0.00 H < ATOM 192 3HB ALA A 19 17.562 -11.154 8.171 1.00 0.00 H < ATOM 193 N ALA A 20 16.067 -13.796 8.757 1.00 0.00 N < ATOM 194 CA ALA A 20 15.196 -14.261 9.830 1.00 0.00 C < ATOM 195 C ALA A 20 15.020 -15.773 9.780 1.00 0.00 C < ATOM 196 O ALA A 20 14.680 -16.401 10.783 1.00 0.00 O < ATOM 197 CB ALA A 20 13.844 -13.568 9.752 1.00 0.00 C < ATOM 198 H ALA A 20 15.654 -13.450 7.903 1.00 0.00 H < ATOM 199 HA ALA A 20 15.667 -14.010 10.781 1.00 0.00 H < ATOM 200 1HB ALA A 20 13.205 -13.925 10.559 1.00 0.00 H < ATOM 201 2HB ALA A 20 13.980 -12.491 9.847 1.00 0.00 H < ATOM 202 3HB ALA A 20 13.376 -13.790 8.794 1.00 0.00 H < ATOM 203 N ALA A 21 15.254 -16.353 8.608 1.00 0.00 N < ATOM 204 CA ALA A 21 15.006 -17.773 8.393 1.00 0.00 C < ATOM 205 C ALA A 21 16.196 -18.445 7.719 1.00 0.00 C < ATOM 206 O ALA A 21 16.825 -19.334 8.293 1.00 0.00 O < ATOM 207 CB ALA A 21 13.747 -17.970 7.561 1.00 0.00 C < ATOM 208 H ALA A 21 15.613 -15.795 7.846 1.00 0.00 H < ATOM 209 HA ALA A 21 14.863 -18.243 9.366 1.00 0.00 H < ATOM 210 1HB ALA A 21 13.574 -19.036 7.408 1.00 0.00 H < ATOM 211 2HB ALA A 21 12.894 -17.536 8.083 1.00 0.00 H < ATOM 212 3HB ALA A 21 13.868 -17.481 6.596 1.00 0.00 H < ATOM 213 N ALA A 22 16.500 -18.014 6.500 1.00 0.00 N < ATOM 214 CA ALA A 22 17.483 -18.698 5.668 1.00 0.00 C < ATOM 215 C ALA A 22 18.855 -18.702 6.329 1.00 0.00 C < ATOM 216 O ALA A 22 19.593 -19.684 6.243 1.00 0.00 O < ATOM 217 CB ALA A 22 17.558 -18.049 4.294 1.00 0.00 C < ATOM 218 H ALA A 22 16.038 -17.191 6.139 1.00 0.00 H < ATOM 219 HA ALA A 22 17.165 -19.735 5.552 1.00 0.00 H < ATOM 220 1HB ALA A 22 18.296 -18.571 3.685 1.00 0.00 H < ATOM 221 2HB ALA A 22 16.583 -18.106 3.811 1.00 0.00 H < ATOM 222 3HB ALA A 22 17.849 -17.005 4.401 1.00 0.00 H < ATOM 223 N ALA A 23 19.192 -17.599 6.988 1.00 0.00 N < ATOM 224 CA ALA A 23 20.493 -17.457 7.631 1.00 0.00 C < ATOM 225 C ALA A 23 20.411 -17.779 9.117 1.00 0.00 C < ATOM 226 O ALA A 23 21.383 -17.609 9.854 1.00 0.00 O < ATOM 227 CB ALA A 23 21.037 -16.052 7.423 1.00 0.00 C < ATOM 228 H ALA A 23 18.530 -16.838 7.045 1.00 0.00 H < ATOM 229 HA ALA A 23 21.177 -18.172 7.172 1.00 0.00 H < ATOM 230 1HB ALA A 23 22.009 -15.962 7.908 1.00 0.00 H < ATOM 231 2HB ALA A 23 21.146 -15.858 6.355 1.00 0.00 H < ATOM 232 3HB ALA A 23 20.348 -15.328 7.854 1.00 0.00 H < ATOM 233 N ALA A 24 19.245 -18.243 9.553 1.00 0.00 N < ATOM 234 CA ALA A 24 19.008 -18.514 10.966 1.00 0.00 C < ATOM 235 C ALA A 24 19.105 -20.005 11.265 1.00 0.00 C < ATOM 236 O ALA A 24 18.810 -20.839 10.410 1.00 0.00 O < ATOM 237 OXT ALA A 24 19.472 -20.378 12.345 1.00 0.00 O < ATOM 238 CB ALA A 24 17.648 -17.977 11.388 1.00 0.00 C < ATOM 239 H ALA A 24 18.503 -18.413 8.889 1.00 0.00 H < ATOM 240 HA ALA A 24 19.782 -18.007 11.543 1.00 0.00 H < ATOM 241 1HB ALA A 24 17.486 -18.187 12.445 1.00 0.00 H < ATOM 242 2HB ALA A 24 17.615 -16.900 11.223 1.00 0.00 H < ATOM 243 3HB ALA A 24 16.869 -18.458 10.800 1.00 0.00 H --- > ATOM 14 CA ALA A 2 3.981 2.841 -0.137 1.00 0.00 C > ATOM 15 C ALA A 2 5.428 2.730 -0.601 1.00 0.00 C > ATOM 16 O ALA A 2 5.886 3.517 -1.430 1.00 0.00 O > ATOM 17 CB ALA A 2 3.918 3.459 1.252 1.00 0.00 C > ATOM 18 H ALA A 2 3.884 0.706 -0.261 1.00 0.00 H > ATOM 19 HA ALA A 2 3.454 3.490 -0.836 1.00 0.00 H > ATOM 20 1HB ALA A 2 4.412 4.430 1.241 1.00 0.00 H > ATOM 21 2HB ALA A 2 2.876 3.585 1.547 1.00 0.00 H > ATOM 22 3HB ALA A 2 4.418 2.805 1.964 1.00 0.00 H > ATOM 23 N ALA A 3 6.144 1.749 -0.063 1.00 0.00 N > ATOM 24 CA ALA A 3 7.533 1.518 -0.440 1.00 0.00 C > ATOM 25 C ALA A 3 7.714 0.135 -1.053 1.00 0.00 C > ATOM 26 O ALA A 3 8.763 -0.491 -0.897 1.00 0.00 O > ATOM 27 CB ALA A 3 8.445 1.685 0.767 1.00 0.00 C > ATOM 28 H ALA A 3 5.714 1.148 0.626 1.00 0.00 H > ATOM 29 HA ALA A 3 7.806 2.256 -1.194 1.00 0.00 H > ATOM 30 1HB ALA A 3 9.478 1.509 0.469 1.00 0.00 H > ATOM 31 2HB ALA A 3 8.347 2.698 1.158 1.00 0.00 H > ATOM 32 3HB ALA A 3 8.163 0.970 1.537 1.00 0.00 H > ATOM 33 N ALA A 4 6.686 -0.337 -1.750 1.00 0.00 N > ATOM 34 CA ALA A 4 6.711 -1.667 -2.346 1.00 0.00 C > ATOM 35 C ALA A 4 7.836 -1.793 -3.366 1.00 0.00 C > ATOM 36 O ALA A 4 8.417 -2.865 -3.535 1.00 0.00 O > ATOM 37 CB ALA A 4 5.371 -1.983 -2.995 1.00 0.00 C > ATOM 38 H ALA A 4 5.867 0.241 -1.871 1.00 0.00 H > ATOM 39 HA ALA A 4 6.898 -2.391 -1.553 1.00 0.00 H > ATOM 40 1HB ALA A 4 5.406 -2.979 -3.436 1.00 0.00 H > ATOM 41 2HB ALA A 4 4.585 -1.946 -2.241 1.00 0.00 H > ATOM 42 3HB ALA A 4 5.163 -1.249 -3.773 1.00 0.00 H > ATOM 43 N ALA A 5 8.139 -0.691 -4.044 1.00 0.00 N > ATOM 44 CA ALA A 5 9.234 -0.660 -5.006 1.00 0.00 C > ATOM 45 C ALA A 5 10.331 0.298 -4.560 1.00 0.00 C > ATOM 46 O ALA A 5 10.992 0.928 -5.386 1.00 0.00 O > ATOM 47 CB ALA A 5 8.719 -0.270 -6.384 1.00 0.00 C > ATOM 48 H ALA A 5 7.596 0.146 -3.890 1.00 0.00 H > ATOM 49 HA ALA A 5 9.665 -1.660 -5.060 1.00 0.00 H > ATOM 50 1HB ALA A 5 9.548 -0.251 -7.090 1.00 0.00 H > ATOM 51 2HB ALA A 5 7.977 -0.997 -6.714 1.00 0.00 H > ATOM 52 3HB ALA A 5 8.262 0.717 -6.335 1.00 0.00 H > ATOM 53 N ALA A 6 10.521 0.404 -3.249 1.00 0.00 N > ATOM 54 CA ALA A 6 11.564 1.256 -2.692 1.00 0.00 C > ATOM 55 C ALA A 6 12.673 0.427 -2.058 1.00 0.00 C > ATOM 56 O ALA A 6 13.635 0.045 -2.725 1.00 0.00 O > ATOM 57 CB ALA A 6 10.974 2.218 -1.672 1.00 0.00 C > ATOM 58 H ALA A 6 9.927 -0.120 -2.623 1.00 0.00 H > ATOM 59 HA ALA A 6 12.002 1.832 -3.508 1.00 0.00 H > ATOM 60 1HB ALA A 6 11.765 2.848 -1.265 1.00 0.00 H > ATOM 61 2HB ALA A 6 10.223 2.845 -2.154 1.00 0.00 H > ATOM 62 3HB ALA A 6 10.510 1.653 -0.865 1.00 0.00 H > ATOM 63 N ALA A 7 12.534 0.151 -0.766 1.00 0.00 N > ATOM 64 CA ALA A 7 13.539 -0.609 -0.032 1.00 0.00 C > ATOM 65 C ALA A 7 12.906 -1.413 1.096 1.00 0.00 C > ATOM 66 O ALA A 7 13.548 -2.279 1.690 1.00 0.00 O > ATOM 67 CB ALA A 7 14.610 0.322 0.518 1.00 0.00 C > ATOM 68 H ALA A 7 11.711 0.476 -0.280 1.00 0.00 H > ATOM 69 HA ALA A 7 14.004 -1.312 -0.723 1.00 0.00 H > ATOM 70 1HB ALA A 7 15.353 -0.260 1.063 1.00 0.00 H > ATOM 71 2HB ALA A 7 15.094 0.847 -0.306 1.00 0.00 H > ATOM 72 3HB ALA A 7 14.152 1.046 1.190 1.00 0.00 H > ATOM 73 N ALA A 8 11.643 -1.120 1.388 1.00 0.00 N > ATOM 74 CA ALA A 8 10.900 -1.859 2.402 1.00 0.00 C > ATOM 75 C ALA A 8 10.673 -3.304 1.974 1.00 0.00 C > ATOM 76 O ALA A 8 10.764 -4.224 2.787 1.00 0.00 O > ATOM 77 CB ALA A 8 9.570 -1.177 2.687 1.00 0.00 C > ATOM 78 H ALA A 8 11.186 -0.366 0.896 1.00 0.00 H > ATOM 79 HA ALA A 8 11.494 -1.871 3.316 1.00 0.00 H > ATOM 80 1HB ALA A 8 9.027 -1.741 3.445 1.00 0.00 H > ATOM 81 2HB ALA A 8 9.751 -0.164 3.048 1.00 0.00 H > ATOM 82 3HB ALA A 8 8.979 -1.136 1.773 1.00 0.00 H > ATOM 83 N ALA A 9 10.377 -3.496 0.693 1.00 0.00 N > ATOM 84 CA ALA A 9 10.238 -4.835 0.132 1.00 0.00 C > ATOM 85 C ALA A 9 11.546 -5.610 0.225 1.00 0.00 C > ATOM 86 O ALA A 9 11.551 -6.806 0.515 1.00 0.00 O > ATOM 87 CB ALA A 9 9.772 -4.757 -1.314 1.00 0.00 C > ATOM 88 H ALA A 9 10.245 -2.695 0.093 1.00 0.00 H > ATOM 89 HA ALA A 9 9.490 -5.371 0.716 1.00 0.00 H > ATOM 90 1HB ALA A 9 9.673 -5.764 -1.719 1.00 0.00 H > ATOM 91 2HB ALA A 9 8.807 -4.252 -1.359 1.00 0.00 H > ATOM 92 3HB ALA A 9 10.500 -4.200 -1.902 1.00 0.00 H > ATOM 93 N ALA A 10 12.655 -4.921 -0.022 1.00 0.00 N > ATOM 94 CA ALA A 10 13.976 -5.527 0.096 1.00 0.00 C > ATOM 95 C ALA A 10 14.264 -5.947 1.531 1.00 0.00 C > ATOM 96 O ALA A 10 14.812 -7.022 1.776 1.00 0.00 O > ATOM 97 CB ALA A 10 15.046 -4.565 -0.399 1.00 0.00 C > ATOM 98 H ALA A 10 12.581 -3.952 -0.298 1.00 0.00 H > ATOM 99 HA ALA A 10 13.994 -6.423 -0.525 1.00 0.00 H > ATOM 100 1HB ALA A 10 16.027 -5.032 -0.305 1.00 0.00 H > ATOM 101 2HB ALA A 10 14.860 -4.319 -1.444 1.00 0.00 H > ATOM 102 3HB ALA A 10 15.020 -3.654 0.198 1.00 0.00 H > ATOM 103 N ALA A 11 13.890 -5.093 2.478 1.00 0.00 N > ATOM 104 CA ALA A 11 14.046 -5.403 3.894 1.00 0.00 C > ATOM 105 C ALA A 11 13.206 -6.611 4.289 1.00 0.00 C > ATOM 106 O ALA A 11 13.643 -7.455 5.071 1.00 0.00 O > ATOM 107 CB ALA A 11 13.672 -4.198 4.745 1.00 0.00 C > ATOM 108 H ALA A 11 13.488 -4.206 2.210 1.00 0.00 H > ATOM 109 HA ALA A 11 15.092 -5.651 4.074 1.00 0.00 H > ATOM 110 1HB ALA A 11 13.793 -4.446 5.800 1.00 0.00 H > ATOM 111 2HB ALA A 11 14.320 -3.359 4.492 1.00 0.00 H > ATOM 112 3HB ALA A 11 12.635 -3.926 4.554 1.00 0.00 H > ATOM 113 N ALA A 12 11.996 -6.688 3.743 1.00 0.00 N > ATOM 114 CA ALA A 12 11.132 -7.842 3.957 1.00 0.00 C > ATOM 115 C ALA A 12 11.774 -9.118 3.427 1.00 0.00 C > ATOM 116 O ALA A 12 11.700 -10.171 4.061 1.00 0.00 O > ATOM 117 CB ALA A 12 9.778 -7.619 3.299 1.00 0.00 C > ATOM 118 H ALA A 12 11.668 -5.928 3.166 1.00 0.00 H > ATOM 119 HA ALA A 12 10.987 -7.963 5.031 1.00 0.00 H > ATOM 120 1HB ALA A 12 9.143 -8.489 3.467 1.00 0.00 H > ATOM 121 2HB ALA A 12 9.305 -6.737 3.730 1.00 0.00 H > ATOM 122 3HB ALA A 12 9.914 -7.471 2.229 1.00 0.00 H > ATOM 123 N ALA A 13 12.404 -9.017 2.262 1.00 0.00 N > ATOM 124 CA ALA A 13 13.114 -10.147 1.674 1.00 0.00 C > ATOM 125 C ALA A 13 14.352 -10.503 2.487 1.00 0.00 C > ATOM 126 O ALA A 13 14.735 -11.670 2.573 1.00 0.00 O > ATOM 127 CB ALA A 13 13.497 -9.840 0.234 1.00 0.00 C > ATOM 128 H ALA A 13 12.391 -8.134 1.771 1.00 0.00 H > ATOM 129 HA ALA A 13 12.447 -11.009 1.686 1.00 0.00 H > ATOM 130 1HB ALA A 13 14.026 -10.693 -0.191 1.00 0.00 H > ATOM 131 2HB ALA A 13 12.597 -9.645 -0.349 1.00 0.00 H > ATOM 132 3HB ALA A 13 14.143 -8.964 0.208 1.00 0.00 H > ATOM 133 N ALA A 14 14.973 -9.491 3.083 1.00 0.00 N > ATOM 134 CA ALA A 14 16.206 -9.687 3.838 1.00 0.00 C > ATOM 135 C ALA A 14 15.920 -9.861 5.324 1.00 0.00 C > ATOM 136 O ALA A 14 15.858 -10.983 5.826 1.00 0.00 O > ATOM 137 CB ALA A 14 17.154 -8.518 3.614 1.00 0.00 C > ATOM 138 H ALA A 14 14.582 -8.563 3.013 1.00 0.00 H > ATOM 139 HA ALA A 14 16.681 -10.600 3.479 1.00 0.00 H > ATOM 140 1HB ALA A 14 18.070 -8.678 4.184 1.00 0.00 H > ATOM 141 2HB ALA A 14 17.395 -8.442 2.554 1.00 0.00 H > ATOM 142 3HB ALA A 14 16.679 -7.596 3.945 1.00 0.00 H > ATOM 143 N ALA A 15 15.748 -8.744 6.023 1.00 0.00 N > ATOM 144 CA ALA A 15 15.706 -8.751 7.480 1.00 0.00 C > ATOM 145 C ALA A 15 14.597 -9.660 7.995 1.00 0.00 C > ATOM 146 O ALA A 15 14.777 -10.381 8.976 1.00 0.00 O > ATOM 147 CB ALA A 15 15.520 -7.338 8.012 1.00 0.00 C > ATOM 148 H ALA A 15 15.643 -7.868 5.532 1.00 0.00 H > ATOM 149 HA ALA A 15 16.655 -9.144 7.844 1.00 0.00 H > ATOM 150 1HB ALA A 15 15.490 -7.360 9.101 1.00 0.00 H > ATOM 151 2HB ALA A 15 16.351 -6.713 7.684 1.00 0.00 H > ATOM 152 3HB ALA A 15 14.586 -6.926 7.632 1.00 0.00 H > ATOM 153 N ALA A 16 13.449 -9.622 7.326 1.00 0.00 N > ATOM 154 CA ALA A 16 12.249 -10.282 7.826 1.00 0.00 C > ATOM 155 C ALA A 16 12.185 -11.732 7.365 1.00 0.00 C > ATOM 156 O ALA A 16 11.302 -12.486 7.776 1.00 0.00 O > ATOM 157 CB ALA A 16 11.005 -9.529 7.377 1.00 0.00 C > ATOM 158 H ALA A 16 13.408 -9.124 6.448 1.00 0.00 H > ATOM 159 HA ALA A 16 12.290 -10.279 8.915 1.00 0.00 H > ATOM 160 1HB ALA A 16 10.117 -10.033 7.758 1.00 0.00 H > ATOM 161 2HB ALA A 16 11.037 -8.510 7.763 1.00 0.00 H > ATOM 162 3HB ALA A 16 10.968 -9.503 6.289 1.00 0.00 H > ATOM 163 N ALA A 17 13.125 -12.118 6.509 1.00 0.00 N > ATOM 164 CA ALA A 17 13.142 -13.462 5.945 1.00 0.00 C > ATOM 165 C ALA A 17 14.537 -14.072 6.016 1.00 0.00 C > ATOM 166 O ALA A 17 14.763 -15.046 6.732 1.00 0.00 O > ATOM 167 CB ALA A 17 12.648 -13.439 4.506 1.00 0.00 C > ATOM 168 H ALA A 17 13.846 -11.463 6.242 1.00 0.00 H > ATOM 169 HA ALA A 17 12.474 -14.087 6.537 1.00 0.00 H > ATOM 170 1HB ALA A 17 12.667 -14.450 4.098 1.00 0.00 H > ATOM 171 2HB ALA A 17 11.628 -13.056 4.477 1.00 0.00 H > ATOM 172 3HB ALA A 17 13.294 -12.796 3.910 1.00 0.00 H > ATOM 173 N ALA A 18 15.469 -13.491 5.268 1.00 0.00 N > ATOM 174 CA ALA A 18 16.825 -14.020 5.188 1.00 0.00 C > ATOM 175 C ALA A 18 17.494 -14.032 6.556 1.00 0.00 C > ATOM 176 O ALA A 18 18.125 -15.017 6.941 1.00 0.00 O > ATOM 177 CB ALA A 18 17.653 -13.208 4.202 1.00 0.00 C > ATOM 178 H ALA A 18 15.233 -12.662 4.742 1.00 0.00 H > ATOM 179 HA ALA A 18 16.767 -15.050 4.835 1.00 0.00 H > ATOM 180 1HB ALA A 18 18.663 -13.616 4.153 1.00 0.00 H > ATOM 181 2HB ALA A 18 17.194 -13.257 3.214 1.00 0.00 H > ATOM 182 3HB ALA A 18 17.696 -12.171 4.531 1.00 0.00 H > ATOM 183 N ALA A 19 17.352 -12.933 7.288 1.00 0.00 N > ATOM 184 CA ALA A 19 17.967 -12.804 8.604 1.00 0.00 C > ATOM 185 C ALA A 19 17.116 -13.472 9.677 1.00 0.00 C > ATOM 186 O ALA A 19 17.636 -13.960 10.680 1.00 0.00 O > ATOM 187 CB ALA A 19 18.190 -11.337 8.943 1.00 0.00 C > ATOM 188 H ALA A 19 16.805 -12.166 6.924 1.00 0.00 H > ATOM 189 HA ALA A 19 18.931 -13.311 8.579 1.00 0.00 H > ATOM 190 1HB ALA A 19 18.649 -11.257 9.929 1.00 0.00 H > ATOM 191 2HB ALA A 19 18.847 -10.887 8.199 1.00 0.00 H > ATOM 192 3HB ALA A 19 17.234 -10.815 8.945 1.00 0.00 H > ATOM 193 N ALA A 20 15.806 -13.491 9.459 1.00 0.00 N > ATOM 194 CA ALA A 20 14.868 -13.968 10.469 1.00 0.00 C > ATOM 195 C ALA A 20 14.730 -15.484 10.420 1.00 0.00 C > ATOM 196 O ALA A 20 14.283 -16.108 11.382 1.00 0.00 O > ATOM 197 CB ALA A 20 13.510 -13.307 10.284 1.00 0.00 C > ATOM 198 H ALA A 20 15.450 -13.166 8.571 1.00 0.00 H > ATOM 199 HA ALA A 20 15.261 -13.699 11.449 1.00 0.00 H > ATOM 200 1HB ALA A 20 12.821 -13.673 11.046 1.00 0.00 H > ATOM 201 2HB ALA A 20 13.615 -12.226 10.380 1.00 0.00 H > ATOM 202 3HB ALA A 20 13.120 -13.547 9.297 1.00 0.00 H > ATOM 203 N ALA A 21 15.117 -16.072 9.293 1.00 0.00 N > ATOM 204 CA ALA A 21 14.942 -17.503 9.077 1.00 0.00 C > ATOM 205 C ALA A 21 16.216 -18.139 8.536 1.00 0.00 C > ATOM 206 O ALA A 21 16.827 -18.982 9.192 1.00 0.00 O > ATOM 207 CB ALA A 21 13.780 -17.757 8.127 1.00 0.00 C > ATOM 208 H ALA A 21 15.543 -15.513 8.567 1.00 0.00 H > ATOM 209 HA ALA A 21 14.720 -17.966 10.038 1.00 0.00 H > ATOM 210 1HB ALA A 21 13.662 -18.830 7.975 1.00 0.00 H > ATOM 211 2HB ALA A 21 12.865 -17.348 8.554 1.00 0.00 H > ATOM 212 3HB ALA A 21 13.980 -17.276 7.171 1.00 0.00 H > ATOM 213 N ALA A 22 16.613 -17.728 7.336 1.00 0.00 N > ATOM 214 CA ALA A 22 17.695 -18.391 6.619 1.00 0.00 C > ATOM 215 C ALA A 22 19.001 -18.315 7.399 1.00 0.00 C > ATOM 216 O ALA A 22 19.783 -19.266 7.413 1.00 0.00 O > ATOM 217 CB ALA A 22 17.868 -17.779 5.236 1.00 0.00 C > ATOM 218 H ALA A 22 16.153 -16.936 6.910 1.00 0.00 H > ATOM 219 HA ALA A 22 17.433 -19.444 6.508 1.00 0.00 H > ATOM 220 1HB ALA A 22 18.680 -18.284 4.713 1.00 0.00 H > ATOM 221 2HB ALA A 22 16.944 -17.893 4.670 1.00 0.00 H > ATOM 222 3HB ALA A 22 18.104 -16.720 5.335 1.00 0.00 H > ATOM 223 N ALA A 23 19.232 -17.178 8.046 1.00 0.00 N > ATOM 224 CA ALA A 23 20.461 -16.962 8.800 1.00 0.00 C > ATOM 225 C ALA A 23 20.253 -17.238 10.284 1.00 0.00 C > ATOM 226 O ALA A 23 21.148 -17.011 11.099 1.00 0.00 O > ATOM 227 CB ALA A 23 20.967 -15.542 8.593 1.00 0.00 C > ATOM 228 H ALA A 23 18.538 -16.445 8.016 1.00 0.00 H > ATOM 229 HA ALA A 23 21.212 -17.661 8.432 1.00 0.00 H > ATOM 230 1HB ALA A 23 21.885 -15.396 9.162 1.00 0.00 H > ATOM 231 2HB ALA A 23 21.167 -15.378 7.534 1.00 0.00 H > ATOM 232 3HB ALA A 23 20.213 -14.834 8.933 1.00 0.00 H > ATOM 233 N ALA A 24 19.068 -17.730 10.628 1.00 0.00 N > ATOM 234 CA ALA A 24 18.708 -17.954 12.023 1.00 0.00 C > ATOM 235 C ALA A 24 18.849 -19.424 12.399 1.00 0.00 C > ATOM 236 O ALA A 24 18.682 -20.308 11.559 1.00 0.00 O > ATOM 237 OXT ALA A 24 19.127 -19.731 13.525 1.00 0.00 O > ATOM 238 CB ALA A 24 17.288 -17.475 12.288 1.00 0.00 C > ATOM 239 H ALA A 24 18.399 -17.953 9.905 1.00 0.00 H > ATOM 240 HA ALA A 24 19.395 -17.382 12.647 1.00 0.00 H > ATOM 241 1HB ALA A 24 17.033 -17.650 13.333 1.00 0.00 H > ATOM 242 2HB ALA A 24 17.217 -16.409 12.070 1.00 0.00 H > ATOM 243 3HB ALA A 24 16.595 -18.022 11.650 1.00 0.00 H 526,550c526,550 < pose -64.241 9.78652 34.1846 0.02675 0.90746 0 -5.91613 -3.38187 0 0 0 2.55074 3.13286 0 -4.72065 0 18.5698 -9.10081 < ALA:NtermProteinFull_1 -0.4518 0.09981 0.15055 0.00114 0.14206 0 0 0 0 0 0 0 0.00303 0 0 0 0.77374 0.71853 < ALA_2 -0.65285 0.12866 0.3383 0.00083 0.28147 0 0 0 0 0 0 1.23527 0.00943 0 -0.62178 0 0.77374 1.49308 < ALA_3 -2.67075 1.06144 1.18806 0.00289 0.05405 0 0 0 0 0 0 0.3413 0.0041 0 -0.01714 0 0.77374 0.73769 < ALA_4 -1.54861 0.15977 0.70882 0.00098 0.22612 0 0 0 0 0 0 -0.31499 0.01905 0 -0.21114 0 0.77374 -0.18626 < ALA_5 -0.94451 0.28995 0.53454 0.00295 0.09401 0 0 0 0 0 0 0.352 0.03618 0 -0.01718 0 0.77374 1.12167 < ALA_6 -1.73775 0.9203 0.73873 0.00064 0.09581 0 0 0 0 0 0 0.85307 0.00361 0 -0.53263 0 0.77374 1.11552 < ALA_7 -2.17677 0.58311 1.14298 0.00107 0.28855 0 0 0 0 0 0 0.79874 0.04505 0 -0.60823 0 0.77374 0.84823 < ALA_8 -2.82872 0.53383 1.46913 0.00091 0.26818 0 0 0 0 0 0 -0.16062 0.07227 0 -0.18867 0 0.77374 -0.05995 < ALA_9 -3.12335 0.27837 1.69738 0.00094 -0.02743 0 0 0 0 0 0 -0.26748 0.1181 0 -0.22804 0 0.77374 -0.77777 < ALA_10 -3.4537 0.33575 1.84545 0.00092 -0.04008 0 0 0 0 0 0 -0.18187 0.07602 0 -0.2134 0 0.77374 -0.85717 < ALA_11 -4.29524 0.34967 2.35518 0.00094 -0.33123 0 0 0 0 0 0 -0.26262 0.12663 0 -0.2376 0 0.77374 -1.52055 < ALA_12 -3.83238 0.45677 2.04411 0.00093 -0.06334 0 0 0 0 0 0 -0.20419 0.04397 0 -0.22458 0 0.77374 -1.00496 < ALA_13 -3.05839 0.2854 1.66615 0.00096 -0.20466 0 0 0 0 0 0 -0.31573 0.02316 0 -0.1208 0 0.77374 -0.95016 < ALA_14 -4.57058 0.61749 2.56763 0.00071 -0.31872 0 0 0 0 0 0 0.79045 0.75412 0 -0.41246 0 0.77374 0.20239 < ALA_15 -2.94007 0.46544 1.5217 0.00093 0.06989 0 0 0 0 0 0 -0.20592 0.55139 0 -0.23753 0 0.77374 -0.00041 < ALA_16 -2.5428 0.4006 1.18253 0.00127 -0.07211 0 0 0 0 0 0 -0.23585 0.06752 0 -0.02662 0 0.77374 -0.45172 < ALA_17 -4.32765 0.59957 2.39445 0.00067 -0.22385 0 0 0 0 0 0 0.56491 0.09146 0 -0.21756 0 0.77374 -0.34425 < ALA_18 -3.86859 0.43881 2.09958 0.00092 -0.18998 0 0 0 0 0 0 -0.14495 0.00854 0 -0.19148 0 0.77374 -1.07341 < ALA_19 -3.11655 0.26554 1.54727 0.00092 -0.02296 0 0 0 0 0 0 -0.17842 0.24716 0 0.01534 0 0.77374 -0.46797 < ALA_20 -2.78975 0.20314 1.35369 0.00097 0.11397 0 0 0 0 0 0 -0.22355 0.20034 0 0.00324 0 0.77374 -0.36421 < ALA_21 -3.11524 0.42088 1.82926 0.00067 0.20563 0 0 0 0 0 0 0.65545 0.52497 0 -0.36057 0 0.77374 0.93481 < ALA_22 -2.13321 0.32181 1.16579 0.00094 0.23445 0 0 0 0 0 0 -0.2619 0.0215 0 -0.24883 0 0.77374 -0.12571 < ALA_23 -1.92694 0.31891 1.1604 0.00161 0.02604 0 0 0 0 0 0 -0.08237 0.08526 0 0.177 0 0.77374 0.53366 < ALA:CtermProteinFull_24 -2.13474 0.25151 1.48297 0.00104 0.30158 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.67611 --- > pose -64.3354 10.3754 34.2893 0.02676 0.86312 0 -5.85712 -3.47119 0 0 0 2.47495 3.25393 0 -4.67391 0 18.5698 -8.48432 > ALA:NtermProteinFull_1 -0.45025 0.10471 0.15096 0.00114 0.13902 0 0 0 0 0 0 0 0.00777 0 0 0 0.77374 0.7271 > ALA_2 -0.65115 0.13234 0.3376 0.00083 0.27666 0 0 0 0 0 0 1.1977 0.00911 0 -0.5933 0 0.77374 1.48353 > ALA_3 -2.70166 1.3301 1.20383 0.00294 0.05487 0 0 0 0 0 0 0.35476 0.03332 0 -0.02793 0 0.77374 1.02396 > ALA_4 -1.52163 0.16413 0.72596 0.00097 0.21698 0 0 0 0 0 0 -0.31148 0.04932 0 -0.22428 0 0.77374 -0.12628 > ALA_5 -0.93346 0.25207 0.52609 0.00296 0.0866 0 0 0 0 0 0 0.3511 0.01995 0 0.00186 0 0.77374 1.08091 > ALA_6 -1.77016 1.21762 0.75146 0.00064 0.0882 0 0 0 0 0 0 0.85988 0.012 0 -0.49324 0 0.77374 1.44015 > ALA_7 -2.19465 0.54115 1.14934 0.00107 0.27535 0 0 0 0 0 0 0.78068 0.05839 0 -0.51442 0 0.77374 0.87065 > ALA_8 -2.86496 0.49339 1.48452 0.00092 0.24091 0 0 0 0 0 0 -0.21963 0.14635 0 -0.19421 0 0.77374 -0.13896 > ALA_9 -3.02607 0.26033 1.67912 0.00093 -0.0197 0 0 0 0 0 0 -0.2371 0.05433 0 -0.23576 0 0.77374 -0.75016 > ALA_10 -3.4048 0.30023 1.82471 0.00092 -0.04753 0 0 0 0 0 0 -0.20021 0.06277 0 -0.21394 0 0.77374 -0.9041 > ALA_11 -4.29646 0.34148 2.34515 0.00093 -0.30654 0 0 0 0 0 0 -0.23569 0.13906 0 -0.23149 0 0.77374 -1.4698 > ALA_12 -3.75851 0.42044 2.01101 0.00093 -0.07677 0 0 0 0 0 0 -0.21398 0.05212 0 -0.23354 0 0.77374 -1.02456 > ALA_13 -3.09479 0.29121 1.69032 0.00095 -0.19752 0 0 0 0 0 0 -0.30039 0.05718 0 -0.15018 0 0.77374 -0.92947 > ALA_14 -4.56901 0.66945 2.57421 0.00071 -0.32079 0 0 0 0 0 0 0.79404 0.76526 0 -0.40322 0 0.77374 0.28439 > ALA_15 -2.93154 0.44414 1.51382 0.00093 0.07658 0 0 0 0 0 0 -0.20907 0.56098 0 -0.24058 0 0.77374 -0.011 > ALA_16 -2.56464 0.44534 1.19287 0.00124 -0.07082 0 0 0 0 0 0 -0.23892 0.04738 0 -0.02466 0 0.77374 -0.43847 > ALA_17 -4.33464 0.6156 2.41219 0.00067 -0.22244 0 0 0 0 0 0 0.57151 0.07484 0 -0.26049 0 0.77374 -0.36902 > ALA_18 -3.8779 0.48192 2.10367 0.00092 -0.18116 0 0 0 0 0 0 -0.14299 0.01117 0 -0.1923 0 0.77374 -1.02293 > ALA_19 -3.19628 0.30067 1.58293 0.0009 -0.02067 0 0 0 0 0 0 -0.15055 0.28346 0 0.01654 0 0.77374 -0.40925 > ALA_20 -2.79167 0.21292 1.35174 0.001 0.10812 0 0 0 0 0 0 -0.24319 0.14501 0 -0.02593 0 0.77374 -0.46825 > ALA_21 -3.14691 0.46429 1.84443 0.00068 0.19624 0 0 0 0 0 0 0.6154 0.53766 0 -0.35721 0 0.77374 0.92832 > ALA_22 -2.13181 0.31052 1.16683 0.00094 0.22872 0 0 0 0 0 0 -0.26023 0.01806 0 -0.24803 0 0.77374 -0.14126 > ALA_23 -1.94783 0.32581 1.17042 0.00159 0.0366 0 0 0 0 0 0 -0.0867 0.10843 0 0.17238 0 0.77374 0.55444 > ALA:CtermProteinFull_24 -2.17458 0.25552 1.49612 0.00104 0.30222 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.65407 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0009.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0009.pdb 13c13 < ATOM 4 O ALA A 1 2.639 1.852 0.965 1.00 0.00 O --- > ATOM 4 O ALA A 1 2.640 1.852 0.965 1.00 0.00 O 26c26 < ATOM 17 CB ALA A 2 1.971 4.032 -2.630 1.00 0.00 C --- > ATOM 17 CB ALA A 2 1.970 4.032 -2.630 1.00 0.00 C 29,32c29,32 < ATOM 20 1HB ALA A 2 2.375 5.039 -2.733 1.00 0.00 H < ATOM 21 2HB ALA A 2 2.413 3.385 -3.388 1.00 0.00 H < ATOM 22 3HB ALA A 2 0.890 4.059 -2.763 1.00 0.00 H < ATOM 23 N ALA A 3 0.492 4.245 0.181 1.00 0.00 N --- > ATOM 20 1HB ALA A 2 2.374 5.039 -2.733 1.00 0.00 H > ATOM 21 2HB ALA A 2 2.412 3.385 -3.388 1.00 0.00 H > ATOM 22 3HB ALA A 2 0.890 4.059 -2.762 1.00 0.00 H > ATOM 23 N ALA A 3 0.492 4.245 0.182 1.00 0.00 N 34c34 < ATOM 25 C ALA A 3 0.544 4.870 2.560 1.00 0.00 C --- > ATOM 25 C ALA A 3 0.545 4.869 2.560 1.00 0.00 C 36c36 < ATOM 27 CB ALA A 3 -1.621 4.721 1.320 1.00 0.00 C --- > ATOM 27 CB ALA A 3 -1.621 4.721 1.321 1.00 0.00 C 38,40c38,40 < ATOM 29 HA ALA A 3 -0.037 6.106 0.929 1.00 0.00 H < ATOM 30 1HB ALA A 3 -2.079 5.337 2.094 1.00 0.00 H < ATOM 31 2HB ALA A 3 -2.109 4.917 0.365 1.00 0.00 H --- > ATOM 29 HA ALA A 3 -0.037 6.106 0.930 1.00 0.00 H > ATOM 30 1HB ALA A 3 -2.079 5.337 2.095 1.00 0.00 H > ATOM 31 2HB ALA A 3 -2.109 4.917 0.366 1.00 0.00 H 42,44c42,44 < ATOM 33 N ALA A 4 0.901 3.627 2.868 1.00 0.00 N < ATOM 34 CA ALA A 4 1.613 3.318 4.102 1.00 0.00 C < ATOM 35 C ALA A 4 3.005 3.937 4.104 1.00 0.00 C --- > ATOM 33 N ALA A 4 0.902 3.627 2.868 1.00 0.00 N > ATOM 34 CA ALA A 4 1.614 3.318 4.102 1.00 0.00 C > ATOM 35 C ALA A 4 3.006 3.937 4.104 1.00 0.00 C 46c46 < ATOM 37 CB ALA A 4 1.704 1.812 4.298 1.00 0.00 C --- > ATOM 37 CB ALA A 4 1.705 1.812 4.298 1.00 0.00 C 48,51c48,51 < ATOM 39 HA ALA A 4 1.055 3.749 4.933 1.00 0.00 H < ATOM 40 1HB ALA A 4 2.238 1.597 5.224 1.00 0.00 H < ATOM 41 2HB ALA A 4 0.700 1.391 4.353 1.00 0.00 H < ATOM 42 3HB ALA A 4 2.237 1.367 3.460 1.00 0.00 H --- > ATOM 39 HA ALA A 4 1.056 3.749 4.933 1.00 0.00 H > ATOM 40 1HB ALA A 4 2.239 1.597 5.224 1.00 0.00 H > ATOM 41 2HB ALA A 4 0.701 1.391 4.353 1.00 0.00 H > ATOM 42 3HB ALA A 4 2.238 1.367 3.460 1.00 0.00 H 54c54 < ATOM 45 C ALA A 5 4.896 6.026 2.998 1.00 0.00 C --- > ATOM 45 C ALA A 5 4.897 6.026 2.998 1.00 0.00 C 56,60c56,60 < ATOM 47 CB ALA A 5 5.560 4.195 1.431 1.00 0.00 C < ATOM 48 H ALA A 5 3.253 3.419 2.164 1.00 0.00 H < ATOM 49 HA ALA A 5 5.636 4.114 3.568 1.00 0.00 H < ATOM 50 1HB ALA A 5 6.537 4.667 1.331 1.00 0.00 H < ATOM 51 2HB ALA A 5 5.666 3.116 1.326 1.00 0.00 H --- > ATOM 47 CB ALA A 5 5.560 4.196 1.431 1.00 0.00 C > ATOM 48 H ALA A 5 3.254 3.419 2.164 1.00 0.00 H > ATOM 49 HA ALA A 5 5.637 4.114 3.567 1.00 0.00 H > ATOM 50 1HB ALA A 5 6.537 4.668 1.331 1.00 0.00 H > ATOM 51 2HB ALA A 5 5.666 3.116 1.325 1.00 0.00 H 62,65c62,65 < ATOM 53 N ALA A 6 3.842 6.632 2.464 1.00 0.00 N < ATOM 54 CA ALA A 6 3.608 8.060 2.643 1.00 0.00 C < ATOM 55 C ALA A 6 3.371 8.401 4.108 1.00 0.00 C < ATOM 56 O ALA A 6 3.866 9.410 4.609 1.00 0.00 O --- > ATOM 53 N ALA A 6 3.842 6.633 2.464 1.00 0.00 N > ATOM 54 CA ALA A 6 3.608 8.061 2.643 1.00 0.00 C > ATOM 55 C ALA A 6 3.371 8.401 4.109 1.00 0.00 C > ATOM 56 O ALA A 6 3.866 9.411 4.609 1.00 0.00 O 69,70c69,70 < ATOM 60 1HB ALA A 6 2.264 9.582 1.941 1.00 0.00 H < ATOM 61 2HB ALA A 6 2.635 8.317 0.745 1.00 0.00 H --- > ATOM 60 1HB ALA A 6 2.264 9.582 1.942 1.00 0.00 H > ATOM 61 2HB ALA A 6 2.635 8.317 0.746 1.00 0.00 H 72c72 < ATOM 63 N ALA A 7 2.611 7.552 4.792 1.00 0.00 N --- > ATOM 63 N ALA A 7 2.612 7.552 4.793 1.00 0.00 N 79c79 < ATOM 70 1HB ALA A 7 1.183 6.835 7.777 1.00 0.00 H --- > ATOM 70 1HB ALA A 7 1.184 6.834 7.777 1.00 0.00 H 81,83c81,83 < ATOM 72 3HB ALA A 7 1.745 5.692 6.535 1.00 0.00 H < ATOM 73 N ALA A 8 4.509 6.674 6.636 1.00 0.00 N < ATOM 74 CA ALA A 8 5.811 6.513 7.273 1.00 0.00 C --- > ATOM 72 3HB ALA A 7 1.746 5.692 6.535 1.00 0.00 H > ATOM 73 N ALA A 8 4.510 6.675 6.636 1.00 0.00 N > ATOM 74 CA ALA A 8 5.812 6.514 7.272 1.00 0.00 C 85,101c85,101 < ATOM 76 O ALA A 8 7.381 8.187 7.972 1.00 0.00 O < ATOM 77 CB ALA A 8 6.510 5.270 6.742 1.00 0.00 C < ATOM 78 H ALA A 8 4.248 6.051 5.885 1.00 0.00 H < ATOM 79 HA ALA A 8 5.652 6.398 8.345 1.00 0.00 H < ATOM 80 1HB ALA A 8 7.480 5.163 7.227 1.00 0.00 H < ATOM 81 2HB ALA A 8 5.900 4.391 6.954 1.00 0.00 H < ATOM 82 3HB ALA A 8 6.650 5.363 5.666 1.00 0.00 H < ATOM 83 N ALA A 9 6.643 8.289 5.849 1.00 0.00 N < ATOM 84 CA ALA A 9 7.378 9.508 5.534 1.00 0.00 C < ATOM 85 C ALA A 9 6.878 10.683 6.364 1.00 0.00 C < ATOM 86 O ALA A 9 7.668 11.496 6.845 1.00 0.00 O < ATOM 87 CB ALA A 9 7.266 9.825 4.049 1.00 0.00 C < ATOM 88 H ALA A 9 6.088 7.849 5.129 1.00 0.00 H < ATOM 89 HA ALA A 9 8.427 9.346 5.782 1.00 0.00 H < ATOM 90 1HB ALA A 9 7.820 10.738 3.829 1.00 0.00 H < ATOM 91 2HB ALA A 9 7.681 9.000 3.469 1.00 0.00 H < ATOM 92 3HB ALA A 9 6.219 9.963 3.785 1.00 0.00 H --- > ATOM 76 O ALA A 8 7.382 8.187 7.972 1.00 0.00 O > ATOM 77 CB ALA A 8 6.511 5.270 6.742 1.00 0.00 C > ATOM 78 H ALA A 8 4.249 6.051 5.885 1.00 0.00 H > ATOM 79 HA ALA A 8 5.653 6.398 8.345 1.00 0.00 H > ATOM 80 1HB ALA A 8 7.481 5.164 7.227 1.00 0.00 H > ATOM 81 2HB ALA A 8 5.901 4.392 6.953 1.00 0.00 H > ATOM 82 3HB ALA A 8 6.651 5.364 5.666 1.00 0.00 H > ATOM 83 N ALA A 9 6.643 8.290 5.849 1.00 0.00 N > ATOM 84 CA ALA A 9 7.378 9.509 5.534 1.00 0.00 C > ATOM 85 C ALA A 9 6.878 10.684 6.364 1.00 0.00 C > ATOM 86 O ALA A 9 7.668 11.497 6.845 1.00 0.00 O > ATOM 87 CB ALA A 9 7.266 9.826 4.049 1.00 0.00 C > ATOM 88 H ALA A 9 6.088 7.850 5.129 1.00 0.00 H > ATOM 89 HA ALA A 9 8.427 9.347 5.782 1.00 0.00 H > ATOM 90 1HB ALA A 9 7.820 10.739 3.829 1.00 0.00 H > ATOM 91 2HB ALA A 9 7.681 9.001 3.469 1.00 0.00 H > ATOM 92 3HB ALA A 9 6.219 9.964 3.785 1.00 0.00 H 103c103 < ATOM 94 CA ALA A 10 4.960 11.804 7.359 1.00 0.00 C --- > ATOM 94 CA ALA A 10 4.959 11.805 7.359 1.00 0.00 C 105,106c105,106 < ATOM 96 O ALA A 10 5.671 12.662 9.484 1.00 0.00 O < ATOM 97 CB ALA A 10 3.443 11.753 7.251 1.00 0.00 C --- > ATOM 96 O ALA A 10 5.670 12.662 9.484 1.00 0.00 O > ATOM 97 CB ALA A 10 3.442 11.753 7.251 1.00 0.00 C 108,109c108,109 < ATOM 99 HA ALA A 10 5.307 12.772 6.997 1.00 0.00 H < ATOM 100 1HB ALA A 10 3.007 12.533 7.875 1.00 0.00 H --- > ATOM 99 HA ALA A 10 5.306 12.773 6.997 1.00 0.00 H > ATOM 100 1HB ALA A 10 3.006 12.533 7.875 1.00 0.00 H 112c112 < ATOM 103 N ALA A 11 5.445 10.431 9.296 1.00 0.00 N --- > ATOM 103 N ALA A 11 5.445 10.432 9.296 1.00 0.00 N 116,117c116,117 < ATOM 107 CB ALA A 11 5.728 8.683 10.984 1.00 0.00 C < ATOM 108 H ALA A 11 5.158 9.661 8.709 1.00 0.00 H --- > ATOM 107 CB ALA A 11 5.728 8.684 10.984 1.00 0.00 C > ATOM 108 H ALA A 11 5.158 9.662 8.709 1.00 0.00 H 120c120 < ATOM 111 2HB ALA A 11 4.672 8.420 10.910 1.00 0.00 H --- > ATOM 111 2HB ALA A 11 4.673 8.420 10.910 1.00 0.00 H 122,252c122,252 < ATOM 113 N ALA A 12 8.181 10.284 9.817 1.00 0.00 N < ATOM 114 CA ALA A 12 9.583 10.681 9.830 1.00 0.00 C < ATOM 115 C ALA A 12 9.726 12.197 9.860 1.00 0.00 C < ATOM 116 O ALA A 12 10.578 12.736 10.567 1.00 0.00 O < ATOM 117 CB ALA A 12 10.309 10.105 8.622 1.00 0.00 C < ATOM 118 H ALA A 12 7.819 9.782 9.018 1.00 0.00 H < ATOM 119 HA ALA A 12 10.039 10.285 10.737 1.00 0.00 H < ATOM 120 1HB ALA A 12 11.355 10.411 8.646 1.00 0.00 H < ATOM 121 2HB ALA A 12 10.248 9.017 8.646 1.00 0.00 H < ATOM 122 3HB ALA A 12 9.844 10.475 7.709 1.00 0.00 H < ATOM 123 N ALA A 13 8.887 12.881 9.089 1.00 0.00 N < ATOM 124 CA ALA A 13 8.873 14.339 9.077 1.00 0.00 C < ATOM 125 C ALA A 13 8.481 14.897 10.439 1.00 0.00 C < ATOM 126 O ALA A 13 9.057 15.879 10.907 1.00 0.00 O < ATOM 127 CB ALA A 13 7.924 14.850 8.003 1.00 0.00 C < ATOM 128 H ALA A 13 8.243 12.378 8.496 1.00 0.00 H < ATOM 129 HA ALA A 13 9.881 14.686 8.851 1.00 0.00 H < ATOM 130 1HB ALA A 13 7.924 15.940 8.007 1.00 0.00 H < ATOM 131 2HB ALA A 13 8.251 14.491 7.027 1.00 0.00 H < ATOM 132 3HB ALA A 13 6.917 14.488 8.205 1.00 0.00 H < ATOM 133 N ALA A 14 7.499 14.265 11.072 1.00 0.00 N < ATOM 134 CA ALA A 14 7.074 14.655 12.411 1.00 0.00 C < ATOM 135 C ALA A 14 8.196 14.462 13.423 1.00 0.00 C < ATOM 136 O ALA A 14 8.400 15.298 14.304 1.00 0.00 O < ATOM 137 CB ALA A 14 5.844 13.863 12.828 1.00 0.00 C < ATOM 138 H ALA A 14 7.035 13.494 10.613 1.00 0.00 H < ATOM 139 HA ALA A 14 6.821 15.715 12.390 1.00 0.00 H < ATOM 140 1HB ALA A 14 5.538 14.165 13.830 1.00 0.00 H < ATOM 141 2HB ALA A 14 5.031 14.056 12.127 1.00 0.00 H < ATOM 142 3HB ALA A 14 6.078 12.799 12.826 1.00 0.00 H < ATOM 143 N ALA A 15 8.921 13.357 13.292 1.00 0.00 N < ATOM 144 CA ALA A 15 10.066 13.085 14.152 1.00 0.00 C < ATOM 145 C ALA A 15 11.158 14.131 13.962 1.00 0.00 C < ATOM 146 O ALA A 15 11.777 14.578 14.928 1.00 0.00 O < ATOM 147 CB ALA A 15 10.615 11.692 13.879 1.00 0.00 C < ATOM 148 H ALA A 15 8.672 12.687 12.578 1.00 0.00 H < ATOM 149 HA ALA A 15 9.731 13.136 15.188 1.00 0.00 H < ATOM 150 1HB ALA A 15 11.470 11.504 14.529 1.00 0.00 H < ATOM 151 2HB ALA A 15 9.840 10.951 14.076 1.00 0.00 H < ATOM 152 3HB ALA A 15 10.928 11.622 12.839 1.00 0.00 H < ATOM 153 N ALA A 16 11.389 14.517 12.712 1.00 0.00 N < ATOM 154 CA ALA A 16 12.359 15.560 12.400 1.00 0.00 C < ATOM 155 C ALA A 16 11.948 16.894 13.008 1.00 0.00 C < ATOM 156 O ALA A 16 12.783 17.634 13.529 1.00 0.00 O < ATOM 157 CB ALA A 16 12.525 15.694 10.893 1.00 0.00 C < ATOM 158 H ALA A 16 10.880 14.077 11.959 1.00 0.00 H < ATOM 159 HA ALA A 16 13.316 15.274 12.837 1.00 0.00 H < ATOM 160 1HB ALA A 16 13.252 16.477 10.676 1.00 0.00 H < ATOM 161 2HB ALA A 16 12.876 14.749 10.480 1.00 0.00 H < ATOM 162 3HB ALA A 16 11.568 15.954 10.444 1.00 0.00 H < ATOM 163 N ALA A 17 10.656 17.197 12.940 1.00 0.00 N < ATOM 164 CA ALA A 17 10.121 18.412 13.544 1.00 0.00 C < ATOM 165 C ALA A 17 10.302 18.401 15.056 1.00 0.00 C < ATOM 166 O ALA A 17 10.643 19.420 15.657 1.00 0.00 O < ATOM 167 CB ALA A 17 8.650 18.576 13.189 1.00 0.00 C < ATOM 168 H ALA A 17 10.028 16.570 12.458 1.00 0.00 H < ATOM 169 HA ALA A 17 10.677 19.261 13.147 1.00 0.00 H < ATOM 170 1HB ALA A 17 8.265 19.488 13.646 1.00 0.00 H < ATOM 171 2HB ALA A 17 8.543 18.641 12.106 1.00 0.00 H < ATOM 172 3HB ALA A 17 8.089 17.720 13.558 1.00 0.00 H < ATOM 173 N ALA A 18 10.072 17.244 15.667 1.00 0.00 N < ATOM 174 CA ALA A 18 10.275 17.080 17.101 1.00 0.00 C < ATOM 175 C ALA A 18 11.737 17.282 17.477 1.00 0.00 C < ATOM 176 O ALA A 18 12.047 17.905 18.492 1.00 0.00 O < ATOM 177 CB ALA A 18 9.798 15.707 17.551 1.00 0.00 C < ATOM 178 H ALA A 18 9.748 16.457 15.123 1.00 0.00 H < ATOM 179 HA ALA A 18 9.690 17.843 17.615 1.00 0.00 H < ATOM 180 1HB ALA A 18 9.956 15.600 18.624 1.00 0.00 H < ATOM 181 2HB ALA A 18 8.736 15.600 17.328 1.00 0.00 H < ATOM 182 3HB ALA A 18 10.359 14.937 17.023 1.00 0.00 H < ATOM 183 N ALA A 19 12.634 16.751 16.652 1.00 0.00 N < ATOM 184 CA ALA A 19 14.066 16.929 16.860 1.00 0.00 C < ATOM 185 C ALA A 19 14.459 18.397 16.759 1.00 0.00 C < ATOM 186 O ALA A 19 15.274 18.886 17.542 1.00 0.00 O < ATOM 187 CB ALA A 19 14.854 16.101 15.855 1.00 0.00 C < ATOM 188 H ALA A 19 12.315 16.210 15.861 1.00 0.00 H < ATOM 189 HA ALA A 19 14.307 16.586 17.866 1.00 0.00 H < ATOM 190 1HB ALA A 19 15.921 16.244 16.023 1.00 0.00 H < ATOM 191 2HB ALA A 19 14.605 15.046 15.978 1.00 0.00 H < ATOM 192 3HB ALA A 19 14.600 16.417 14.845 1.00 0.00 H < ATOM 193 N ALA A 20 13.875 19.096 15.792 1.00 0.00 N < ATOM 194 CA ALA A 20 14.111 20.526 15.630 1.00 0.00 C < ATOM 195 C ALA A 20 13.618 21.306 16.842 1.00 0.00 C < ATOM 196 O ALA A 20 14.275 22.242 17.298 1.00 0.00 O < ATOM 197 CB ALA A 20 13.437 21.034 14.364 1.00 0.00 C < ATOM 198 H ALA A 20 13.251 18.625 15.153 1.00 0.00 H < ATOM 199 HA ALA A 20 15.186 20.684 15.545 1.00 0.00 H < ATOM 200 1HB ALA A 20 13.622 22.103 14.257 1.00 0.00 H < ATOM 201 2HB ALA A 20 13.841 20.507 13.500 1.00 0.00 H < ATOM 202 3HB ALA A 20 12.364 20.856 14.427 1.00 0.00 H < ATOM 203 N ALA A 21 12.458 20.915 17.360 1.00 0.00 N < ATOM 204 CA ALA A 21 11.906 21.537 18.557 1.00 0.00 C < ATOM 205 C ALA A 21 12.808 21.308 19.763 1.00 0.00 C < ATOM 206 O ALA A 21 12.993 22.200 20.590 1.00 0.00 O < ATOM 207 CB ALA A 21 10.508 21.003 18.834 1.00 0.00 C < ATOM 208 H ALA A 21 11.946 20.169 16.912 1.00 0.00 H < ATOM 209 HA ALA A 21 11.846 22.611 18.384 1.00 0.00 H < ATOM 210 1HB ALA A 21 10.109 21.476 19.731 1.00 0.00 H < ATOM 211 2HB ALA A 21 9.859 21.226 17.987 1.00 0.00 H < ATOM 212 3HB ALA A 21 10.553 19.925 18.982 1.00 0.00 H < ATOM 213 N ALA A 22 13.368 20.106 19.857 1.00 0.00 N < ATOM 214 CA ALA A 22 14.312 19.782 20.919 1.00 0.00 C < ATOM 215 C ALA A 22 15.586 20.608 20.795 1.00 0.00 C < ATOM 216 O ALA A 22 16.147 21.056 21.795 1.00 0.00 O < ATOM 217 CB ALA A 22 14.641 18.296 20.901 1.00 0.00 C < ATOM 218 H ALA A 22 13.134 19.400 19.174 1.00 0.00 H < ATOM 219 HA ALA A 22 13.846 20.028 21.873 1.00 0.00 H < ATOM 220 1HB ALA A 22 15.347 18.070 21.700 1.00 0.00 H < ATOM 221 2HB ALA A 22 13.728 17.720 21.049 1.00 0.00 H < ATOM 222 3HB ALA A 22 15.084 18.034 19.941 1.00 0.00 H < ATOM 223 N ALA A 23 16.039 20.806 19.562 1.00 0.00 N < ATOM 224 CA ALA A 23 17.219 21.622 19.301 1.00 0.00 C < ATOM 225 C ALA A 23 16.970 23.081 19.659 1.00 0.00 C < ATOM 226 O ALA A 23 17.858 23.767 20.166 1.00 0.00 O < ATOM 227 CB ALA A 23 17.636 21.499 17.843 1.00 0.00 C < ATOM 228 H ALA A 23 15.554 20.380 18.785 1.00 0.00 H < ATOM 229 HA ALA A 23 18.029 21.257 19.932 1.00 0.00 H < ATOM 230 1HB ALA A 23 18.518 22.114 17.663 1.00 0.00 H < ATOM 231 2HB ALA A 23 17.867 20.458 17.617 1.00 0.00 H < ATOM 232 3HB ALA A 23 16.823 21.837 17.202 1.00 0.00 H < ATOM 233 N ALA A 24 15.756 23.552 19.393 1.00 0.00 N < ATOM 234 CA ALA A 24 15.384 24.929 19.695 1.00 0.00 C < ATOM 235 C ALA A 24 15.333 25.168 21.198 1.00 0.00 C < ATOM 236 O ALA A 24 15.040 24.257 21.972 1.00 0.00 O < ATOM 237 OXT ALA A 24 15.580 26.256 21.641 1.00 0.00 O < ATOM 238 CB ALA A 24 14.044 25.267 19.060 1.00 0.00 C < ATOM 239 H ALA A 24 15.073 22.939 18.970 1.00 0.00 H < ATOM 240 HA ALA A 24 16.148 25.585 19.278 1.00 0.00 H < ATOM 241 1HB ALA A 24 13.780 26.299 19.294 1.00 0.00 H < ATOM 242 2HB ALA A 24 14.113 25.148 17.978 1.00 0.00 H < ATOM 243 3HB ALA A 24 13.277 24.600 19.450 1.00 0.00 H --- > ATOM 113 N ALA A 12 8.180 10.285 9.817 1.00 0.00 N > ATOM 114 CA ALA A 12 9.583 10.682 9.830 1.00 0.00 C > ATOM 115 C ALA A 12 9.726 12.199 9.860 1.00 0.00 C > ATOM 116 O ALA A 12 10.577 12.738 10.567 1.00 0.00 O > ATOM 117 CB ALA A 12 10.308 10.107 8.622 1.00 0.00 C > ATOM 118 H ALA A 12 7.819 9.783 9.018 1.00 0.00 H > ATOM 119 HA ALA A 12 10.039 10.286 10.737 1.00 0.00 H > ATOM 120 1HB ALA A 12 11.355 10.412 8.646 1.00 0.00 H > ATOM 121 2HB ALA A 12 10.248 9.019 8.646 1.00 0.00 H > ATOM 122 3HB ALA A 12 9.844 10.476 7.709 1.00 0.00 H > ATOM 123 N ALA A 13 8.887 12.882 9.089 1.00 0.00 N > ATOM 124 CA ALA A 13 8.872 14.340 9.077 1.00 0.00 C > ATOM 125 C ALA A 13 8.480 14.898 10.439 1.00 0.00 C > ATOM 126 O ALA A 13 9.056 15.881 10.907 1.00 0.00 O > ATOM 127 CB ALA A 13 7.923 14.851 8.003 1.00 0.00 C > ATOM 128 H ALA A 13 8.243 12.379 8.496 1.00 0.00 H > ATOM 129 HA ALA A 13 9.880 14.687 8.851 1.00 0.00 H > ATOM 130 1HB ALA A 13 7.923 15.941 8.007 1.00 0.00 H > ATOM 131 2HB ALA A 13 8.250 14.492 7.027 1.00 0.00 H > ATOM 132 3HB ALA A 13 6.916 14.488 8.205 1.00 0.00 H > ATOM 133 N ALA A 14 7.498 14.265 11.072 1.00 0.00 N > ATOM 134 CA ALA A 14 7.073 14.655 12.411 1.00 0.00 C > ATOM 135 C ALA A 14 8.195 14.463 13.423 1.00 0.00 C > ATOM 136 O ALA A 14 8.399 15.299 14.304 1.00 0.00 O > ATOM 137 CB ALA A 14 5.843 13.863 12.828 1.00 0.00 C > ATOM 138 H ALA A 14 7.034 13.494 10.614 1.00 0.00 H > ATOM 139 HA ALA A 14 6.820 15.715 12.390 1.00 0.00 H > ATOM 140 1HB ALA A 14 5.537 14.165 13.830 1.00 0.00 H > ATOM 141 2HB ALA A 14 5.030 14.056 12.127 1.00 0.00 H > ATOM 142 3HB ALA A 14 6.077 12.800 12.826 1.00 0.00 H > ATOM 143 N ALA A 15 8.920 13.358 13.292 1.00 0.00 N > ATOM 144 CA ALA A 15 10.066 13.086 14.152 1.00 0.00 C > ATOM 145 C ALA A 15 11.157 14.132 13.963 1.00 0.00 C > ATOM 146 O ALA A 15 11.776 14.579 14.928 1.00 0.00 O > ATOM 147 CB ALA A 15 10.615 11.693 13.880 1.00 0.00 C > ATOM 148 H ALA A 15 8.671 12.688 12.578 1.00 0.00 H > ATOM 149 HA ALA A 15 9.731 13.137 15.188 1.00 0.00 H > ATOM 150 1HB ALA A 15 11.469 11.506 14.529 1.00 0.00 H > ATOM 151 2HB ALA A 15 9.840 10.952 14.076 1.00 0.00 H > ATOM 152 3HB ALA A 15 10.928 11.624 12.839 1.00 0.00 H > ATOM 153 N ALA A 16 11.388 14.519 12.713 1.00 0.00 N > ATOM 154 CA ALA A 16 12.358 15.562 12.400 1.00 0.00 C > ATOM 155 C ALA A 16 11.946 16.896 13.009 1.00 0.00 C > ATOM 156 O ALA A 16 12.781 17.636 13.529 1.00 0.00 O > ATOM 157 CB ALA A 16 12.524 15.696 10.894 1.00 0.00 C > ATOM 158 H ALA A 16 10.879 14.078 11.959 1.00 0.00 H > ATOM 159 HA ALA A 16 13.315 15.276 12.837 1.00 0.00 H > ATOM 160 1HB ALA A 16 13.251 16.479 10.676 1.00 0.00 H > ATOM 161 2HB ALA A 16 12.875 14.751 10.480 1.00 0.00 H > ATOM 162 3HB ALA A 16 11.567 15.956 10.444 1.00 0.00 H > ATOM 163 N ALA A 17 10.654 17.199 12.941 1.00 0.00 N > ATOM 164 CA ALA A 17 10.119 18.413 13.544 1.00 0.00 C > ATOM 165 C ALA A 17 10.300 18.402 15.057 1.00 0.00 C > ATOM 166 O ALA A 17 10.641 19.421 15.658 1.00 0.00 O > ATOM 167 CB ALA A 17 8.648 18.577 13.189 1.00 0.00 C > ATOM 168 H ALA A 17 10.027 16.571 12.458 1.00 0.00 H > ATOM 169 HA ALA A 17 10.675 19.262 13.147 1.00 0.00 H > ATOM 170 1HB ALA A 17 8.263 19.488 13.647 1.00 0.00 H > ATOM 171 2HB ALA A 17 8.540 18.642 12.106 1.00 0.00 H > ATOM 172 3HB ALA A 17 8.087 17.721 13.559 1.00 0.00 H > ATOM 173 N ALA A 18 10.070 17.245 15.667 1.00 0.00 N > ATOM 174 CA ALA A 18 10.273 17.081 17.102 1.00 0.00 C > ATOM 175 C ALA A 18 11.736 17.283 17.477 1.00 0.00 C > ATOM 176 O ALA A 18 12.045 17.907 18.493 1.00 0.00 O > ATOM 177 CB ALA A 18 9.797 15.708 17.551 1.00 0.00 C > ATOM 178 H ALA A 18 9.747 16.458 15.123 1.00 0.00 H > ATOM 179 HA ALA A 18 9.688 17.844 17.615 1.00 0.00 H > ATOM 180 1HB ALA A 18 9.955 15.601 18.624 1.00 0.00 H > ATOM 181 2HB ALA A 18 8.735 15.600 17.328 1.00 0.00 H > ATOM 182 3HB ALA A 18 10.357 14.938 17.024 1.00 0.00 H > ATOM 183 N ALA A 19 12.632 16.753 16.653 1.00 0.00 N > ATOM 184 CA ALA A 19 14.064 16.931 16.860 1.00 0.00 C > ATOM 185 C ALA A 19 14.457 18.399 16.760 1.00 0.00 C > ATOM 186 O ALA A 19 15.272 18.888 17.542 1.00 0.00 O > ATOM 187 CB ALA A 19 14.852 16.103 15.856 1.00 0.00 C > ATOM 188 H ALA A 19 12.313 16.212 15.861 1.00 0.00 H > ATOM 189 HA ALA A 19 14.306 16.588 17.867 1.00 0.00 H > ATOM 190 1HB ALA A 19 15.920 16.246 16.024 1.00 0.00 H > ATOM 191 2HB ALA A 19 14.604 15.049 15.979 1.00 0.00 H > ATOM 192 3HB ALA A 19 14.598 16.419 14.845 1.00 0.00 H > ATOM 193 N ALA A 20 13.872 19.098 15.793 1.00 0.00 N > ATOM 194 CA ALA A 20 14.108 20.528 15.631 1.00 0.00 C > ATOM 195 C ALA A 20 13.615 21.308 16.843 1.00 0.00 C > ATOM 196 O ALA A 20 14.271 22.244 17.300 1.00 0.00 O > ATOM 197 CB ALA A 20 13.434 21.036 14.365 1.00 0.00 C > ATOM 198 H ALA A 20 13.249 18.627 15.153 1.00 0.00 H > ATOM 199 HA ALA A 20 15.183 20.686 15.546 1.00 0.00 H > ATOM 200 1HB ALA A 20 13.619 22.105 14.258 1.00 0.00 H > ATOM 201 2HB ALA A 20 13.839 20.509 13.501 1.00 0.00 H > ATOM 202 3HB ALA A 20 12.361 20.858 14.428 1.00 0.00 H > ATOM 203 N ALA A 21 12.455 20.917 17.360 1.00 0.00 N > ATOM 204 CA ALA A 21 11.903 21.538 18.558 1.00 0.00 C > ATOM 205 C ALA A 21 12.805 21.309 19.764 1.00 0.00 C > ATOM 206 O ALA A 21 12.990 22.201 20.591 1.00 0.00 O > ATOM 207 CB ALA A 21 10.505 21.004 18.835 1.00 0.00 C > ATOM 208 H ALA A 21 11.944 20.170 16.912 1.00 0.00 H > ATOM 209 HA ALA A 21 11.842 22.612 18.385 1.00 0.00 H > ATOM 210 1HB ALA A 21 10.105 21.477 19.732 1.00 0.00 H > ATOM 211 2HB ALA A 21 9.856 21.227 17.988 1.00 0.00 H > ATOM 212 3HB ALA A 21 10.550 19.926 18.983 1.00 0.00 H > ATOM 213 N ALA A 22 13.365 20.108 19.858 1.00 0.00 N > ATOM 214 CA ALA A 22 14.309 19.784 20.920 1.00 0.00 C > ATOM 215 C ALA A 22 15.583 20.610 20.796 1.00 0.00 C > ATOM 216 O ALA A 22 16.143 21.058 21.797 1.00 0.00 O > ATOM 217 CB ALA A 22 14.639 18.298 20.901 1.00 0.00 C > ATOM 218 H ALA A 22 13.131 19.401 19.175 1.00 0.00 H > ATOM 219 HA ALA A 22 13.843 20.030 21.874 1.00 0.00 H > ATOM 220 1HB ALA A 22 15.345 18.072 21.701 1.00 0.00 H > ATOM 221 2HB ALA A 22 13.726 17.721 21.050 1.00 0.00 H > ATOM 222 3HB ALA A 22 15.082 18.036 19.942 1.00 0.00 H > ATOM 223 N ALA A 23 16.036 20.808 19.563 1.00 0.00 N > ATOM 224 CA ALA A 23 17.216 21.625 19.302 1.00 0.00 C > ATOM 225 C ALA A 23 16.966 23.084 19.660 1.00 0.00 C > ATOM 226 O ALA A 23 17.854 23.770 20.167 1.00 0.00 O > ATOM 227 CB ALA A 23 17.633 21.502 17.844 1.00 0.00 C > ATOM 228 H ALA A 23 15.551 20.383 18.786 1.00 0.00 H > ATOM 229 HA ALA A 23 18.026 21.260 19.933 1.00 0.00 H > ATOM 230 1HB ALA A 23 18.515 22.117 17.665 1.00 0.00 H > ATOM 231 2HB ALA A 23 17.865 20.461 17.618 1.00 0.00 H > ATOM 232 3HB ALA A 23 16.819 21.839 17.203 1.00 0.00 H > ATOM 233 N ALA A 24 15.752 23.554 19.394 1.00 0.00 N > ATOM 234 CA ALA A 24 15.380 24.931 19.696 1.00 0.00 C > ATOM 235 C ALA A 24 15.329 25.170 21.200 1.00 0.00 C > ATOM 236 O ALA A 24 15.036 24.259 21.973 1.00 0.00 O > ATOM 237 OXT ALA A 24 15.575 26.258 21.643 1.00 0.00 O > ATOM 238 CB ALA A 24 14.039 25.269 19.061 1.00 0.00 C > ATOM 239 H ALA A 24 15.069 22.941 18.971 1.00 0.00 H > ATOM 240 HA ALA A 24 16.144 25.587 19.279 1.00 0.00 H > ATOM 241 1HB ALA A 24 13.775 26.300 19.295 1.00 0.00 H > ATOM 242 2HB ALA A 24 14.108 25.149 17.980 1.00 0.00 H > ATOM 243 3HB ALA A 24 13.273 24.601 19.451 1.00 0.00 H 526,550c526,550 < pose -79.2329 5.58034 45.6013 0.02268 -2.55286 0 -16.856 0 0 0 0 -4.91402 1.31254 0 -4.90306 0 18.5698 -37.3722 < ALA:NtermProteinFull_1 -1.77714 0.17414 1.38337 0.00106 0.46443 0 0 0 0 0 0 0 0.07009 0 0 0 0.77374 1.0897 < ALA_2 -2.07749 0.19617 1.27366 0.00094 0.34358 0 0 0 0 0 0 -0.26677 0.00578 0 -0.24285 0 0.77374 0.00677 < ALA_3 -2.56426 0.26086 1.57431 0.00093 0.10992 0 0 0 0 0 0 -0.22109 0.04099 0 -0.23084 0 0.77374 -0.25544 < ALA_4 -3.23085 0.24935 1.89793 0.00092 0.00798 0 0 0 0 0 0 -0.22274 0.078 0 -0.20021 0 0.77374 -0.64588 < ALA_5 -3.62009 0.22887 1.98011 0.00093 -0.20572 0 0 0 0 0 0 -0.22166 0.06936 0 -0.22758 0 0.77374 -1.22204 < ALA_6 -3.68676 0.255 2.04834 0.00092 -0.31717 0 0 0 0 0 0 -0.21193 0.06668 0 -0.21901 0 0.77374 -1.29018 < ALA_7 -3.68886 0.24129 2.0393 0.00093 -0.27607 0 0 0 0 0 0 -0.2188 0.0609 0 -0.22721 0 0.77374 -1.29477 < ALA_8 -3.69893 0.25382 2.05237 0.00093 -0.30097 0 0 0 0 0 0 -0.21415 0.06265 0 -0.22265 0 0.77374 -1.29318 < ALA_9 -3.69022 0.24652 2.04754 0.00093 -0.29187 0 0 0 0 0 0 -0.21798 0.06187 0 -0.22531 0 0.77374 -1.29479 < ALA_10 -3.69457 0.25078 2.0499 0.00093 -0.2976 0 0 0 0 0 0 -0.21619 0.06236 0 -0.22386 0 0.77374 -1.29452 < ALA_11 -3.69164 0.24851 2.04866 0.00093 -0.29519 0 0 0 0 0 0 -0.217 0.06251 0 -0.22454 0 0.77374 -1.29402 < ALA_12 -3.69208 0.24921 2.04827 0.00093 -0.29581 0 0 0 0 0 0 -0.21658 0.06279 0 -0.22416 0 0.77374 -1.2937 < ALA_13 -3.69302 0.24894 2.04914 0.00093 -0.29565 0 0 0 0 0 0 -0.21672 0.06209 0 -0.22435 0 0.77374 -1.29489 < ALA_14 -3.69274 0.24915 2.04866 0.00093 -0.29572 0 0 0 0 0 0 -0.21655 0.06278 0 -0.22421 0 0.77374 -1.29396 < ALA_15 -3.69205 0.24874 2.04857 0.00093 -0.29624 0 0 0 0 0 0 -0.21656 0.06275 0 -0.22422 0 0.77374 -1.29434 < ALA_16 -3.69224 0.2489 2.04805 0.00093 -0.29485 0 0 0 0 0 0 -0.21703 0.06234 0 -0.22438 0 0.77374 -1.29453 < ALA_17 -3.69211 0.24894 2.04942 0.00093 -0.29571 0 0 0 0 0 0 -0.21588 0.06293 0 -0.2241 0 0.77374 -1.29184 < ALA_18 -3.69495 0.24945 2.04972 0.00093 -0.28764 0 0 0 0 0 0 -0.21579 0.06139 0 -0.22403 0 0.77374 -1.28718 < ALA_19 -3.69897 0.25097 2.05592 0.00093 -0.29205 0 0 0 0 0 0 -0.21533 0.06347 0 -0.22494 0 0.77374 -1.28626 < ALA_20 -3.71968 0.2568 2.07522 0.00093 -0.23939 0 0 0 0 0 0 -0.21719 0.05346 0 -0.22412 0 0.77374 -1.24023 < ALA_21 -3.37576 0.22677 1.92713 0.00093 0.14828 0 0 0 0 0 0 -0.24067 0.07962 0 -0.22925 0 0.77374 -0.68921 < ALA_22 -2.72103 0.23481 1.66811 0.00093 0.09817 0 0 0 0 0 0 -0.23755 0.03658 0 -0.21162 0 0.77374 -0.35785 < ALA_23 -2.20859 0.14258 1.41672 0.00093 0.30777 0 0 0 0 0 0 -0.25985 0.00116 0 -0.19961 0 0.77374 -0.02514 < ALA:CtermProteinFull_24 -2.23886 0.11975 1.72081 0.00121 0.54464 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.9213 --- > pose -79.2326 5.58045 45.601 0.02268 -2.55283 0 -16.8561 0 0 0 0 -4.91405 1.31253 0 -4.90309 0 18.5698 -37.3722 > ALA:NtermProteinFull_1 -1.77689 0.17417 1.38316 0.00106 0.46452 0 0 0 0 0 0 0 0.07006 0 0 0 0.77374 1.08981 > ALA_2 -2.07736 0.19618 1.27363 0.00094 0.34362 0 0 0 0 0 0 -0.26679 0.00576 0 -0.24285 0 0.77374 0.00686 > ALA_3 -2.56431 0.26092 1.57435 0.00093 0.10988 0 0 0 0 0 0 -0.22113 0.04092 0 -0.23087 0 0.77374 -0.25557 > ALA_4 -3.23074 0.24937 1.89779 0.00092 0.00795 0 0 0 0 0 0 -0.22273 0.078 0 -0.20023 0 0.77374 -0.64593 > ALA_5 -3.61971 0.22884 1.97989 0.00093 -0.20559 0 0 0 0 0 0 -0.22165 0.06937 0 -0.22757 0 0.77374 -1.22174 > ALA_6 -3.68668 0.25498 2.04829 0.00092 -0.31717 0 0 0 0 0 0 -0.21194 0.06661 0 -0.21901 0 0.77374 -1.29025 > ALA_7 -3.68903 0.24134 2.03944 0.00093 -0.27617 0 0 0 0 0 0 -0.21881 0.06085 0 -0.22722 0 0.77374 -1.29493 > ALA_8 -3.69887 0.25382 2.05234 0.00093 -0.30094 0 0 0 0 0 0 -0.21414 0.06272 0 -0.22265 0 0.77374 -1.29306 > ALA_9 -3.69012 0.2465 2.04746 0.00093 -0.29181 0 0 0 0 0 0 -0.21797 0.06192 0 -0.2253 0 0.77374 -1.29466 > ALA_10 -3.6947 0.25078 2.04997 0.00093 -0.29764 0 0 0 0 0 0 -0.21621 0.06235 0 -0.22387 0 0.77374 -1.29464 > ALA_11 -3.69176 0.24853 2.04874 0.00093 -0.29524 0 0 0 0 0 0 -0.21699 0.06252 0 -0.22454 0 0.77374 -1.29408 > ALA_12 -3.69205 0.2492 2.04824 0.00093 -0.29577 0 0 0 0 0 0 -0.21657 0.06282 0 -0.22415 0 0.77374 -1.29361 > ALA_13 -3.69296 0.24892 2.0491 0.00093 -0.29563 0 0 0 0 0 0 -0.21674 0.06211 0 -0.22436 0 0.77374 -1.2949 > ALA_14 -3.69283 0.24919 2.04873 0.00093 -0.29576 0 0 0 0 0 0 -0.21656 0.06272 0 -0.22422 0 0.77374 -1.29406 > ALA_15 -3.69211 0.24879 2.04861 0.00093 -0.29624 0 0 0 0 0 0 -0.21656 0.06277 0 -0.22422 0 0.77374 -1.29429 > ALA_16 -3.69214 0.24888 2.04798 0.00093 -0.29482 0 0 0 0 0 0 -0.21705 0.0624 0 -0.22439 0 0.77374 -1.29446 > ALA_17 -3.69216 0.24896 2.04946 0.00093 -0.29571 0 0 0 0 0 0 -0.21588 0.0629 0 -0.22411 0 0.77374 -1.29187 > ALA_18 -3.69506 0.24948 2.04979 0.00093 -0.28768 0 0 0 0 0 0 -0.21578 0.0614 0 -0.22402 0 0.77374 -1.2872 > ALA_19 -3.69891 0.25093 2.05588 0.00093 -0.29206 0 0 0 0 0 0 -0.21533 0.06352 0 -0.22494 0 0.77374 -1.28625 > ALA_20 -3.71975 0.25681 2.07528 0.00093 -0.2394 0 0 0 0 0 0 -0.21718 0.0534 0 -0.22411 0 0.77374 -1.24029 > ALA_21 -3.37583 0.22677 1.92717 0.00093 0.14827 0 0 0 0 0 0 -0.24065 0.07965 0 -0.22925 0 0.77374 -0.68919 > ALA_22 -2.72101 0.23477 1.6681 0.00093 0.09814 0 0 0 0 0 0 -0.23755 0.03659 0 -0.21162 0 0.77374 -0.35791 > ALA_23 -2.20865 0.14258 1.41676 0.00093 0.3078 0 0 0 0 0 0 -0.25984 0.00116 0 -0.19959 0 0.77374 -0.0251 > ALA:CtermProteinFull_24 -2.23892 0.11975 1.72087 0.00121 0.54463 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.92129 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0010.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0010.pdb 22c22 < ATOM 13 N ALA A 2 1.773 2.141 -1.091 1.00 0.00 N --- > ATOM 13 N ALA A 2 1.774 2.141 -1.091 1.00 0.00 N 25,26c25,26 < ATOM 16 O ALA A 2 2.476 5.292 0.325 1.00 0.00 O < ATOM 17 CB ALA A 2 1.984 4.027 -2.636 1.00 0.00 C --- > ATOM 16 O ALA A 2 2.476 5.292 0.324 1.00 0.00 O > ATOM 17 CB ALA A 2 1.985 4.027 -2.636 1.00 0.00 C 29,31c29,31 < ATOM 20 1HB ALA A 2 2.388 5.034 -2.738 1.00 0.00 H < ATOM 21 2HB ALA A 2 2.430 3.378 -3.390 1.00 0.00 H < ATOM 22 3HB ALA A 2 0.905 4.054 -2.773 1.00 0.00 H --- > ATOM 20 1HB ALA A 2 2.389 5.034 -2.738 1.00 0.00 H > ATOM 21 2HB ALA A 2 2.431 3.378 -3.390 1.00 0.00 H > ATOM 22 3HB ALA A 2 0.905 4.054 -2.774 1.00 0.00 H 33,46c33,46 < ATOM 24 CA ALA A 3 -0.147 5.062 1.193 1.00 0.00 C < ATOM 25 C ALA A 3 0.529 4.874 2.545 1.00 0.00 C < ATOM 26 O ALA A 3 0.725 5.834 3.290 1.00 0.00 O < ATOM 27 CB ALA A 3 -1.628 4.727 1.291 1.00 0.00 C < ATOM 28 H ALA A 3 -0.047 3.525 -0.293 1.00 0.00 H < ATOM 29 HA ALA A 3 -0.040 6.108 0.908 1.00 0.00 H < ATOM 30 1HB ALA A 3 -2.091 5.344 2.061 1.00 0.00 H < ATOM 31 2HB ALA A 3 -2.110 4.921 0.333 1.00 0.00 H < ATOM 32 3HB ALA A 3 -1.747 3.676 1.550 1.00 0.00 H < ATOM 33 N ALA A 4 0.883 3.632 2.857 1.00 0.00 N < ATOM 34 CA ALA A 4 1.588 3.324 4.096 1.00 0.00 C < ATOM 35 C ALA A 4 2.980 3.943 4.106 1.00 0.00 C < ATOM 36 O ALA A 4 3.437 4.449 5.131 1.00 0.00 O < ATOM 37 CB ALA A 4 1.676 1.818 4.295 1.00 0.00 C --- > ATOM 24 CA ALA A 3 -0.148 5.061 1.192 1.00 0.00 C > ATOM 25 C ALA A 3 0.528 4.874 2.545 1.00 0.00 C > ATOM 26 O ALA A 3 0.724 5.835 3.290 1.00 0.00 O > ATOM 27 CB ALA A 3 -1.629 4.726 1.290 1.00 0.00 C > ATOM 28 H ALA A 3 -0.047 3.524 -0.294 1.00 0.00 H > ATOM 29 HA ALA A 3 -0.041 6.108 0.907 1.00 0.00 H > ATOM 30 1HB ALA A 3 -2.091 5.344 2.060 1.00 0.00 H > ATOM 31 2HB ALA A 3 -2.110 4.921 0.332 1.00 0.00 H > ATOM 32 3HB ALA A 3 -1.747 3.675 1.549 1.00 0.00 H > ATOM 33 N ALA A 4 0.883 3.632 2.856 1.00 0.00 N > ATOM 34 CA ALA A 4 1.587 3.325 4.096 1.00 0.00 C > ATOM 35 C ALA A 4 2.979 3.944 4.106 1.00 0.00 C > ATOM 36 O ALA A 4 3.436 4.450 5.131 1.00 0.00 O > ATOM 37 CB ALA A 4 1.676 1.819 4.295 1.00 0.00 C 48,49c48,49 < ATOM 39 HA ALA A 4 1.024 3.757 4.922 1.00 0.00 H < ATOM 40 1HB ALA A 4 2.205 1.605 5.224 1.00 0.00 H --- > ATOM 39 HA ALA A 4 1.023 3.758 4.922 1.00 0.00 H > ATOM 40 1HB ALA A 4 2.204 1.605 5.224 1.00 0.00 H 51,60c51,60 < ATOM 42 3HB ALA A 4 2.216 1.373 3.460 1.00 0.00 H < ATOM 43 N ALA A 5 3.650 3.899 2.960 1.00 0.00 N < ATOM 44 CA ALA A 5 4.960 4.522 2.814 1.00 0.00 C < ATOM 45 C ALA A 5 4.878 6.030 3.011 1.00 0.00 C < ATOM 46 O ALA A 5 5.749 6.632 3.639 1.00 0.00 O < ATOM 47 CB ALA A 5 5.552 4.198 1.450 1.00 0.00 C < ATOM 48 H ALA A 5 3.241 3.423 2.169 1.00 0.00 H < ATOM 49 HA ALA A 5 5.614 4.119 3.587 1.00 0.00 H < ATOM 50 1HB ALA A 5 6.530 4.669 1.356 1.00 0.00 H < ATOM 51 2HB ALA A 5 5.658 3.118 1.347 1.00 0.00 H --- > ATOM 42 3HB ALA A 4 2.215 1.373 3.460 1.00 0.00 H > ATOM 43 N ALA A 5 3.649 3.900 2.960 1.00 0.00 N > ATOM 44 CA ALA A 5 4.959 4.523 2.814 1.00 0.00 C > ATOM 45 C ALA A 5 4.877 6.031 3.010 1.00 0.00 C > ATOM 46 O ALA A 5 5.748 6.633 3.639 1.00 0.00 O > ATOM 47 CB ALA A 5 5.551 4.198 1.450 1.00 0.00 C > ATOM 48 H ALA A 5 3.240 3.423 2.169 1.00 0.00 H > ATOM 49 HA ALA A 5 5.614 4.120 3.588 1.00 0.00 H > ATOM 50 1HB ALA A 5 6.530 4.670 1.357 1.00 0.00 H > ATOM 51 2HB ALA A 5 5.658 3.118 1.348 1.00 0.00 H 62,252c62,252 < ATOM 53 N ALA A 6 3.827 6.636 2.469 1.00 0.00 N < ATOM 54 CA ALA A 6 3.592 8.064 2.644 1.00 0.00 C < ATOM 55 C ALA A 6 3.345 8.407 4.108 1.00 0.00 C < ATOM 56 O ALA A 6 3.837 9.418 4.610 1.00 0.00 O < ATOM 57 CB ALA A 6 2.416 8.516 1.790 1.00 0.00 C < ATOM 58 H ALA A 6 3.174 6.094 1.922 1.00 0.00 H < ATOM 59 HA ALA A 6 4.487 8.597 2.323 1.00 0.00 H < ATOM 60 1HB ALA A 6 2.253 9.585 1.932 1.00 0.00 H < ATOM 61 2HB ALA A 6 2.631 8.318 0.740 1.00 0.00 H < ATOM 62 3HB ALA A 6 1.521 7.971 2.086 1.00 0.00 H < ATOM 63 N ALA A 7 2.582 7.558 4.788 1.00 0.00 N < ATOM 64 CA ALA A 7 2.327 7.731 6.213 1.00 0.00 C < ATOM 65 C ALA A 7 3.614 7.629 7.020 1.00 0.00 C < ATOM 66 O ALA A 7 3.830 8.391 7.963 1.00 0.00 O < ATOM 67 CB ALA A 7 1.315 6.704 6.699 1.00 0.00 C < ATOM 68 H ALA A 7 2.168 6.773 4.306 1.00 0.00 H < ATOM 69 HA ALA A 7 1.916 8.730 6.365 1.00 0.00 H < ATOM 70 1HB ALA A 7 1.135 6.846 7.764 1.00 0.00 H < ATOM 71 2HB ALA A 7 0.380 6.827 6.153 1.00 0.00 H < ATOM 72 3HB ALA A 7 1.705 5.701 6.528 1.00 0.00 H < ATOM 73 N ALA A 8 4.469 6.683 6.644 1.00 0.00 N < ATOM 74 CA ALA A 8 5.767 6.524 7.289 1.00 0.00 C < ATOM 75 C ALA A 8 6.641 7.753 7.080 1.00 0.00 C < ATOM 76 O ALA A 8 7.332 8.199 7.996 1.00 0.00 O < ATOM 77 CB ALA A 8 6.469 5.280 6.764 1.00 0.00 C < ATOM 78 H ALA A 8 4.212 6.059 5.893 1.00 0.00 H < ATOM 79 HA ALA A 8 5.601 6.410 8.360 1.00 0.00 H < ATOM 80 1HB ALA A 8 7.437 5.174 7.254 1.00 0.00 H < ATOM 81 2HB ALA A 8 5.859 4.401 6.973 1.00 0.00 H < ATOM 82 3HB ALA A 8 6.616 5.372 5.689 1.00 0.00 H < ATOM 83 N ALA A 9 6.606 8.299 5.869 1.00 0.00 N < ATOM 84 CA ALA A 9 7.342 9.518 5.556 1.00 0.00 C < ATOM 85 C ALA A 9 6.838 10.693 6.382 1.00 0.00 C < ATOM 86 O ALA A 9 7.624 11.507 6.867 1.00 0.00 O < ATOM 87 CB ALA A 9 7.239 9.833 4.070 1.00 0.00 C < ATOM 88 H ALA A 9 6.055 7.858 5.146 1.00 0.00 H < ATOM 89 HA ALA A 9 8.390 9.356 5.810 1.00 0.00 H < ATOM 90 1HB ALA A 9 7.793 10.745 3.853 1.00 0.00 H < ATOM 91 2HB ALA A 9 7.657 9.008 3.494 1.00 0.00 H < ATOM 92 3HB ALA A 9 6.193 9.971 3.800 1.00 0.00 H < ATOM 93 N ALA A 10 5.521 10.778 6.540 1.00 0.00 N < ATOM 94 CA ALA A 10 4.913 11.815 7.364 1.00 0.00 C < ATOM 95 C ALA A 10 5.337 11.680 8.821 1.00 0.00 C < ATOM 96 O ALA A 10 5.612 12.675 9.492 1.00 0.00 O < ATOM 97 CB ALA A 10 3.396 11.764 7.248 1.00 0.00 C < ATOM 98 H ALA A 10 4.926 10.106 6.077 1.00 0.00 H < ATOM 99 HA ALA A 10 5.262 12.783 7.003 1.00 0.00 H < ATOM 100 1HB ALA A 10 2.957 12.544 7.869 1.00 0.00 H < ATOM 101 2HB ALA A 10 3.106 11.920 6.209 1.00 0.00 H < ATOM 102 3HB ALA A 10 3.039 10.791 7.581 1.00 0.00 H < ATOM 103 N ALA A 11 5.387 10.444 9.305 1.00 0.00 N < ATOM 104 CA ALA A 11 5.843 10.171 10.663 1.00 0.00 C < ATOM 105 C ALA A 11 7.299 10.578 10.848 1.00 0.00 C < ATOM 106 O ALA A 11 7.671 11.136 11.880 1.00 0.00 O < ATOM 107 CB ALA A 11 5.660 8.697 10.997 1.00 0.00 C < ATOM 108 H ALA A 11 5.102 9.673 8.717 1.00 0.00 H < ATOM 109 HA ALA A 11 5.239 10.765 11.349 1.00 0.00 H < ATOM 110 1HB ALA A 11 6.004 8.509 12.014 1.00 0.00 H < ATOM 111 2HB ALA A 11 4.605 8.434 10.917 1.00 0.00 H < ATOM 112 3HB ALA A 11 6.238 8.092 10.300 1.00 0.00 H < ATOM 113 N ALA A 12 8.119 10.296 9.842 1.00 0.00 N < ATOM 114 CA ALA A 12 9.522 10.693 9.863 1.00 0.00 C < ATOM 115 C ALA A 12 9.665 12.209 9.892 1.00 0.00 C < ATOM 116 O ALA A 12 10.513 12.749 10.604 1.00 0.00 O < ATOM 117 CB ALA A 12 10.254 10.116 8.660 1.00 0.00 C < ATOM 118 H ALA A 12 7.762 9.794 9.042 1.00 0.00 H < ATOM 119 HA ALA A 12 9.972 10.297 10.773 1.00 0.00 H < ATOM 120 1HB ALA A 12 11.300 10.421 8.690 1.00 0.00 H < ATOM 121 2HB ALA A 12 10.192 9.028 8.684 1.00 0.00 H < ATOM 122 3HB ALA A 12 9.795 10.485 7.744 1.00 0.00 H < ATOM 123 N ALA A 13 8.831 12.893 9.115 1.00 0.00 N < ATOM 124 CA ALA A 13 8.817 14.351 9.102 1.00 0.00 C < ATOM 125 C ALA A 13 8.418 14.910 10.462 1.00 0.00 C < ATOM 126 O ALA A 13 8.991 15.893 10.932 1.00 0.00 O < ATOM 127 CB ALA A 13 7.875 14.862 8.022 1.00 0.00 C < ATOM 128 H ALA A 13 8.191 12.389 8.519 1.00 0.00 H < ATOM 129 HA ALA A 13 9.827 14.697 8.882 1.00 0.00 H < ATOM 130 1HB ALA A 13 7.875 15.952 8.025 1.00 0.00 H < ATOM 131 2HB ALA A 13 8.207 14.501 7.049 1.00 0.00 H < ATOM 132 3HB ALA A 13 6.867 14.499 8.218 1.00 0.00 H < ATOM 133 N ALA A 14 7.432 14.278 11.089 1.00 0.00 N < ATOM 134 CA ALA A 14 6.999 14.670 12.425 1.00 0.00 C < ATOM 135 C ALA A 14 8.115 14.478 13.444 1.00 0.00 C < ATOM 136 O ALA A 14 8.314 15.314 14.325 1.00 0.00 O < ATOM 137 CB ALA A 14 5.766 13.878 12.836 1.00 0.00 C < ATOM 138 H ALA A 14 6.970 13.507 10.629 1.00 0.00 H < ATOM 139 HA ALA A 14 6.746 15.730 12.402 1.00 0.00 H < ATOM 140 1HB ALA A 14 5.455 14.182 13.835 1.00 0.00 H < ATOM 141 2HB ALA A 14 4.958 14.071 12.130 1.00 0.00 H < ATOM 142 3HB ALA A 14 6.000 12.815 12.836 1.00 0.00 H < ATOM 143 N ALA A 15 8.840 13.372 13.318 1.00 0.00 N < ATOM 144 CA ALA A 15 9.980 13.101 14.186 1.00 0.00 C < ATOM 145 C ALA A 15 11.073 14.146 14.002 1.00 0.00 C < ATOM 146 O ALA A 15 11.686 14.594 14.971 1.00 0.00 O < ATOM 147 CB ALA A 15 10.530 11.708 13.917 1.00 0.00 C < ATOM 148 H ALA A 15 8.595 12.702 12.604 1.00 0.00 H < ATOM 149 HA ALA A 15 9.639 13.153 15.220 1.00 0.00 H < ATOM 150 1HB ALA A 15 11.381 11.520 14.572 1.00 0.00 H < ATOM 151 2HB ALA A 15 9.754 10.967 14.109 1.00 0.00 H < ATOM 152 3HB ALA A 15 10.850 11.637 12.879 1.00 0.00 H < ATOM 153 N ALA A 16 11.312 14.532 12.753 1.00 0.00 N < ATOM 154 CA ALA A 16 12.284 15.574 12.445 1.00 0.00 C < ATOM 155 C ALA A 16 11.870 16.909 13.051 1.00 0.00 C < ATOM 156 O ALA A 16 12.702 17.649 13.576 1.00 0.00 O < ATOM 157 CB ALA A 16 12.459 15.708 10.940 1.00 0.00 C < ATOM 158 H ALA A 16 10.807 14.091 11.997 1.00 0.00 H < ATOM 159 HA ALA A 16 13.238 15.288 12.888 1.00 0.00 H < ATOM 160 1HB ALA A 16 13.187 16.490 10.726 1.00 0.00 H < ATOM 161 2HB ALA A 16 12.811 14.762 10.529 1.00 0.00 H < ATOM 162 3HB ALA A 16 11.504 15.967 10.484 1.00 0.00 H < ATOM 163 N ALA A 17 10.578 17.213 12.974 1.00 0.00 N < ATOM 164 CA ALA A 17 10.040 18.428 13.574 1.00 0.00 C < ATOM 165 C ALA A 17 10.212 18.418 15.087 1.00 0.00 C < ATOM 166 O ALA A 17 10.550 19.437 15.690 1.00 0.00 O < ATOM 167 CB ALA A 17 8.572 18.593 13.210 1.00 0.00 C < ATOM 168 H ALA A 17 9.953 16.585 12.489 1.00 0.00 H < ATOM 169 HA ALA A 17 10.599 19.276 13.180 1.00 0.00 H < ATOM 170 1HB ALA A 17 8.184 19.505 13.665 1.00 0.00 H < ATOM 171 2HB ALA A 17 8.471 18.657 12.126 1.00 0.00 H < ATOM 172 3HB ALA A 17 8.008 17.737 13.576 1.00 0.00 H < ATOM 173 N ALA A 18 9.978 17.261 15.697 1.00 0.00 N < ATOM 174 CA ALA A 18 10.172 17.099 17.133 1.00 0.00 C < ATOM 175 C ALA A 18 11.632 17.300 17.517 1.00 0.00 C < ATOM 176 O ALA A 18 11.936 17.924 18.534 1.00 0.00 O < ATOM 177 CB ALA A 18 9.692 15.726 17.581 1.00 0.00 C < ATOM 178 H ALA A 18 9.656 16.474 15.152 1.00 0.00 H < ATOM 179 HA ALA A 18 9.584 17.862 17.643 1.00 0.00 H < ATOM 180 1HB ALA A 18 9.844 15.620 18.655 1.00 0.00 H < ATOM 181 2HB ALA A 18 8.632 15.619 17.352 1.00 0.00 H < ATOM 182 3HB ALA A 18 10.255 14.955 17.057 1.00 0.00 H < ATOM 183 N ALA A 19 12.533 16.768 16.698 1.00 0.00 N < ATOM 184 CA ALA A 19 13.964 16.946 16.914 1.00 0.00 C < ATOM 185 C ALA A 19 14.358 18.414 16.815 1.00 0.00 C < ATOM 186 O ALA A 19 15.169 18.904 17.602 1.00 0.00 O < ATOM 187 CB ALA A 19 14.758 16.117 15.914 1.00 0.00 C < ATOM 188 H ALA A 19 12.219 16.227 15.906 1.00 0.00 H < ATOM 189 HA ALA A 19 14.200 16.604 17.922 1.00 0.00 H < ATOM 190 1HB ALA A 19 15.824 16.260 16.088 1.00 0.00 H < ATOM 191 2HB ALA A 19 14.508 15.063 16.037 1.00 0.00 H < ATOM 192 3HB ALA A 19 14.510 16.433 14.902 1.00 0.00 H < ATOM 193 N ALA A 20 13.780 19.113 15.844 1.00 0.00 N < ATOM 194 CA ALA A 20 14.017 20.542 15.683 1.00 0.00 C < ATOM 195 C ALA A 20 13.518 21.323 16.892 1.00 0.00 C < ATOM 196 O ALA A 20 14.173 22.258 17.352 1.00 0.00 O < ATOM 197 CB ALA A 20 13.349 21.050 14.413 1.00 0.00 C < ATOM 198 H ALA A 20 13.160 18.641 15.201 1.00 0.00 H < ATOM 199 HA ALA A 20 15.092 20.700 15.603 1.00 0.00 H < ATOM 200 1HB ALA A 20 13.535 22.119 14.307 1.00 0.00 H < ATOM 201 2HB ALA A 20 13.758 20.523 13.551 1.00 0.00 H < ATOM 202 3HB ALA A 20 12.276 20.873 14.471 1.00 0.00 H < ATOM 203 N ALA A 21 12.355 20.934 17.403 1.00 0.00 N < ATOM 204 CA ALA A 21 11.796 21.556 18.597 1.00 0.00 C < ATOM 205 C ALA A 21 12.690 21.326 19.808 1.00 0.00 C < ATOM 206 O ALA A 21 12.871 22.218 20.637 1.00 0.00 O < ATOM 207 CB ALA A 21 10.395 21.024 18.865 1.00 0.00 C < ATOM 208 H ALA A 21 11.845 20.187 16.952 1.00 0.00 H < ATOM 209 HA ALA A 21 11.738 22.631 18.423 1.00 0.00 H < ATOM 210 1HB ALA A 21 9.991 21.499 19.759 1.00 0.00 H < ATOM 211 2HB ALA A 21 9.752 21.248 18.014 1.00 0.00 H < ATOM 212 3HB ALA A 21 10.438 19.947 19.014 1.00 0.00 H < ATOM 213 N ALA A 22 13.249 20.124 19.905 1.00 0.00 N < ATOM 214 CA ALA A 22 14.186 19.799 20.973 1.00 0.00 C < ATOM 215 C ALA A 22 15.461 20.624 20.858 1.00 0.00 C < ATOM 216 O ALA A 22 16.016 21.072 21.861 1.00 0.00 O < ATOM 217 CB ALA A 22 14.515 18.313 20.956 1.00 0.00 C < ATOM 218 H ALA A 22 13.018 19.418 19.221 1.00 0.00 H < ATOM 219 HA ALA A 22 13.714 20.045 21.925 1.00 0.00 H < ATOM 220 1HB ALA A 22 15.216 18.086 21.759 1.00 0.00 H < ATOM 221 2HB ALA A 22 13.601 17.737 21.098 1.00 0.00 H < ATOM 222 3HB ALA A 22 14.963 18.051 19.999 1.00 0.00 H < ATOM 223 N ALA A 23 15.922 20.823 19.627 1.00 0.00 N < ATOM 224 CA ALA A 23 17.103 21.639 19.374 1.00 0.00 C < ATOM 225 C ALA A 23 16.851 23.099 19.728 1.00 0.00 C < ATOM 226 O ALA A 23 17.735 23.785 20.241 1.00 0.00 O < ATOM 227 CB ALA A 23 17.531 21.514 17.919 1.00 0.00 C < ATOM 228 H ALA A 23 15.441 20.398 18.847 1.00 0.00 H < ATOM 229 HA ALA A 23 17.909 21.275 20.011 1.00 0.00 H < ATOM 230 1HB ALA A 23 18.415 22.129 17.745 1.00 0.00 H < ATOM 231 2HB ALA A 23 17.765 20.473 17.696 1.00 0.00 H < ATOM 232 3HB ALA A 23 16.723 21.851 17.272 1.00 0.00 H < ATOM 233 N ALA A 24 15.639 23.568 19.452 1.00 0.00 N < ATOM 234 CA ALA A 24 15.266 24.946 19.749 1.00 0.00 C < ATOM 235 C ALA A 24 15.211 25.190 21.252 1.00 0.00 C < ATOM 236 O ALA A 24 14.917 24.280 22.028 1.00 0.00 O < ATOM 237 OXT ALA A 24 15.455 26.279 21.693 1.00 0.00 O < ATOM 238 CB ALA A 24 13.926 25.281 19.110 1.00 0.00 C < ATOM 239 H ALA A 24 14.960 22.955 19.025 1.00 0.00 H < ATOM 240 HA ALA A 24 16.030 25.602 19.332 1.00 0.00 H < ATOM 241 1HB ALA A 24 13.661 26.313 19.341 1.00 0.00 H < ATOM 242 2HB ALA A 24 13.998 25.158 18.029 1.00 0.00 H < ATOM 243 3HB ALA A 24 13.160 24.614 19.500 1.00 0.00 H --- > ATOM 53 N ALA A 6 3.826 6.637 2.469 1.00 0.00 N > ATOM 54 CA ALA A 6 3.591 8.065 2.644 1.00 0.00 C > ATOM 55 C ALA A 6 3.344 8.407 4.107 1.00 0.00 C > ATOM 56 O ALA A 6 3.835 9.419 4.609 1.00 0.00 O > ATOM 57 CB ALA A 6 2.415 8.516 1.790 1.00 0.00 C > ATOM 58 H ALA A 6 3.173 6.094 1.922 1.00 0.00 H > ATOM 59 HA ALA A 6 4.486 8.598 2.322 1.00 0.00 H > ATOM 60 1HB ALA A 6 2.251 9.585 1.931 1.00 0.00 H > ATOM 61 2HB ALA A 6 2.630 8.318 0.740 1.00 0.00 H > ATOM 62 3HB ALA A 6 1.520 7.971 2.085 1.00 0.00 H > ATOM 63 N ALA A 7 2.581 7.559 4.788 1.00 0.00 N > ATOM 64 CA ALA A 7 2.325 7.732 6.213 1.00 0.00 C > ATOM 65 C ALA A 7 3.613 7.630 7.020 1.00 0.00 C > ATOM 66 O ALA A 7 3.827 8.392 7.963 1.00 0.00 O > ATOM 67 CB ALA A 7 1.313 6.704 6.698 1.00 0.00 C > ATOM 68 H ALA A 7 2.167 6.774 4.305 1.00 0.00 H > ATOM 69 HA ALA A 7 1.914 8.730 6.364 1.00 0.00 H > ATOM 70 1HB ALA A 7 1.133 6.846 7.764 1.00 0.00 H > ATOM 71 2HB ALA A 7 0.378 6.828 6.152 1.00 0.00 H > ATOM 72 3HB ALA A 7 1.703 5.702 6.527 1.00 0.00 H > ATOM 73 N ALA A 8 4.467 6.685 6.644 1.00 0.00 N > ATOM 74 CA ALA A 8 5.765 6.525 7.289 1.00 0.00 C > ATOM 75 C ALA A 8 6.639 7.755 7.080 1.00 0.00 C > ATOM 76 O ALA A 8 7.330 8.200 7.996 1.00 0.00 O > ATOM 77 CB ALA A 8 6.468 5.281 6.764 1.00 0.00 C > ATOM 78 H ALA A 8 4.211 6.060 5.893 1.00 0.00 H > ATOM 79 HA ALA A 8 5.599 6.411 8.360 1.00 0.00 H > ATOM 80 1HB ALA A 8 7.436 5.176 7.255 1.00 0.00 H > ATOM 81 2HB ALA A 8 5.857 4.403 6.973 1.00 0.00 H > ATOM 82 3HB ALA A 8 6.615 5.373 5.689 1.00 0.00 H > ATOM 83 N ALA A 9 6.604 8.300 5.869 1.00 0.00 N > ATOM 84 CA ALA A 9 7.340 9.519 5.556 1.00 0.00 C > ATOM 85 C ALA A 9 6.835 10.695 6.382 1.00 0.00 C > ATOM 86 O ALA A 9 7.622 11.509 6.867 1.00 0.00 O > ATOM 87 CB ALA A 9 7.237 9.834 4.070 1.00 0.00 C > ATOM 88 H ALA A 9 6.053 7.859 5.146 1.00 0.00 H > ATOM 89 HA ALA A 9 8.388 9.357 5.810 1.00 0.00 H > ATOM 90 1HB ALA A 9 7.792 10.747 3.853 1.00 0.00 H > ATOM 91 2HB ALA A 9 7.656 9.009 3.494 1.00 0.00 H > ATOM 92 3HB ALA A 9 6.192 9.972 3.800 1.00 0.00 H > ATOM 93 N ALA A 10 5.519 10.779 6.539 1.00 0.00 N > ATOM 94 CA ALA A 10 4.910 11.817 7.364 1.00 0.00 C > ATOM 95 C ALA A 10 5.334 11.682 8.821 1.00 0.00 C > ATOM 96 O ALA A 10 5.609 12.676 9.492 1.00 0.00 O > ATOM 97 CB ALA A 10 3.394 11.765 7.247 1.00 0.00 C > ATOM 98 H ALA A 10 4.924 10.107 6.076 1.00 0.00 H > ATOM 99 HA ALA A 10 5.259 12.784 7.003 1.00 0.00 H > ATOM 100 1HB ALA A 10 2.954 12.545 7.868 1.00 0.00 H > ATOM 101 2HB ALA A 10 3.104 11.921 6.208 1.00 0.00 H > ATOM 102 3HB ALA A 10 3.037 10.792 7.580 1.00 0.00 H > ATOM 103 N ALA A 11 5.384 10.445 9.305 1.00 0.00 N > ATOM 104 CA ALA A 11 5.840 10.172 10.663 1.00 0.00 C > ATOM 105 C ALA A 11 7.296 10.580 10.848 1.00 0.00 C > ATOM 106 O ALA A 11 7.667 11.139 11.880 1.00 0.00 O > ATOM 107 CB ALA A 11 5.657 8.699 10.997 1.00 0.00 C > ATOM 108 H ALA A 11 5.100 9.675 8.717 1.00 0.00 H > ATOM 109 HA ALA A 11 5.236 10.767 11.348 1.00 0.00 H > ATOM 110 1HB ALA A 11 6.001 8.511 12.013 1.00 0.00 H > ATOM 111 2HB ALA A 11 4.602 8.436 10.916 1.00 0.00 H > ATOM 112 3HB ALA A 11 6.235 8.094 10.300 1.00 0.00 H > ATOM 113 N ALA A 12 8.116 10.298 9.842 1.00 0.00 N > ATOM 114 CA ALA A 12 9.519 10.696 9.863 1.00 0.00 C > ATOM 115 C ALA A 12 9.662 12.212 9.893 1.00 0.00 C > ATOM 116 O ALA A 12 10.509 12.751 10.604 1.00 0.00 O > ATOM 117 CB ALA A 12 10.251 10.119 8.660 1.00 0.00 C > ATOM 118 H ALA A 12 7.759 9.796 9.042 1.00 0.00 H > ATOM 119 HA ALA A 12 9.969 10.300 10.774 1.00 0.00 H > ATOM 120 1HB ALA A 12 11.297 10.424 8.690 1.00 0.00 H > ATOM 121 2HB ALA A 12 10.190 9.031 8.684 1.00 0.00 H > ATOM 122 3HB ALA A 12 9.793 10.487 7.744 1.00 0.00 H > ATOM 123 N ALA A 13 8.828 12.895 9.116 1.00 0.00 N > ATOM 124 CA ALA A 13 8.814 14.353 9.102 1.00 0.00 C > ATOM 125 C ALA A 13 8.414 14.912 10.462 1.00 0.00 C > ATOM 126 O ALA A 13 8.987 15.895 10.932 1.00 0.00 O > ATOM 127 CB ALA A 13 7.872 14.864 8.022 1.00 0.00 C > ATOM 128 H ALA A 13 8.188 12.391 8.519 1.00 0.00 H > ATOM 129 HA ALA A 13 9.824 14.699 8.882 1.00 0.00 H > ATOM 130 1HB ALA A 13 7.872 15.954 8.025 1.00 0.00 H > ATOM 131 2HB ALA A 13 8.204 14.503 7.049 1.00 0.00 H > ATOM 132 3HB ALA A 13 6.864 14.501 8.218 1.00 0.00 H > ATOM 133 N ALA A 14 7.428 14.280 11.089 1.00 0.00 N > ATOM 134 CA ALA A 14 6.995 14.672 12.425 1.00 0.00 C > ATOM 135 C ALA A 14 8.110 14.480 13.444 1.00 0.00 C > ATOM 136 O ALA A 14 8.310 15.317 14.325 1.00 0.00 O > ATOM 137 CB ALA A 14 5.762 13.880 12.835 1.00 0.00 C > ATOM 138 H ALA A 14 6.966 13.509 10.628 1.00 0.00 H > ATOM 139 HA ALA A 14 6.742 15.732 12.402 1.00 0.00 H > ATOM 140 1HB ALA A 14 5.450 14.184 13.835 1.00 0.00 H > ATOM 141 2HB ALA A 14 4.954 14.073 12.129 1.00 0.00 H > ATOM 142 3HB ALA A 14 5.996 12.817 12.836 1.00 0.00 H > ATOM 143 N ALA A 15 8.836 13.374 13.319 1.00 0.00 N > ATOM 144 CA ALA A 15 9.976 13.104 14.186 1.00 0.00 C > ATOM 145 C ALA A 15 11.068 14.149 14.002 1.00 0.00 C > ATOM 146 O ALA A 15 11.682 14.597 14.971 1.00 0.00 O > ATOM 147 CB ALA A 15 10.527 11.710 13.918 1.00 0.00 C > ATOM 148 H ALA A 15 8.591 12.704 12.604 1.00 0.00 H > ATOM 149 HA ALA A 15 9.635 13.155 15.220 1.00 0.00 H > ATOM 150 1HB ALA A 15 11.377 11.523 14.573 1.00 0.00 H > ATOM 151 2HB ALA A 15 9.751 10.969 14.110 1.00 0.00 H > ATOM 152 3HB ALA A 15 10.846 11.640 12.880 1.00 0.00 H > ATOM 153 N ALA A 16 11.308 14.534 12.753 1.00 0.00 N > ATOM 154 CA ALA A 16 12.279 15.577 12.446 1.00 0.00 C > ATOM 155 C ALA A 16 11.865 16.912 13.051 1.00 0.00 C > ATOM 156 O ALA A 16 12.697 17.652 13.576 1.00 0.00 O > ATOM 157 CB ALA A 16 12.455 15.711 10.940 1.00 0.00 C > ATOM 158 H ALA A 16 10.803 14.094 11.998 1.00 0.00 H > ATOM 159 HA ALA A 16 13.234 15.292 12.889 1.00 0.00 H > ATOM 160 1HB ALA A 16 13.183 16.493 10.727 1.00 0.00 H > ATOM 161 2HB ALA A 16 12.807 14.764 10.530 1.00 0.00 H > ATOM 162 3HB ALA A 16 11.500 15.970 10.485 1.00 0.00 H > ATOM 163 N ALA A 17 10.573 17.215 12.975 1.00 0.00 N > ATOM 164 CA ALA A 17 10.035 18.430 13.574 1.00 0.00 C > ATOM 165 C ALA A 17 10.207 18.421 15.087 1.00 0.00 C > ATOM 166 O ALA A 17 10.544 19.440 15.690 1.00 0.00 O > ATOM 167 CB ALA A 17 8.567 18.595 13.209 1.00 0.00 C > ATOM 168 H ALA A 17 9.949 16.588 12.489 1.00 0.00 H > ATOM 169 HA ALA A 17 10.594 19.279 13.180 1.00 0.00 H > ATOM 170 1HB ALA A 17 8.179 19.507 13.664 1.00 0.00 H > ATOM 171 2HB ALA A 17 8.466 18.659 12.126 1.00 0.00 H > ATOM 172 3HB ALA A 17 8.003 17.739 13.576 1.00 0.00 H > ATOM 173 N ALA A 18 9.972 17.264 15.697 1.00 0.00 N > ATOM 174 CA ALA A 18 10.167 17.102 17.133 1.00 0.00 C > ATOM 175 C ALA A 18 11.627 17.303 17.518 1.00 0.00 C > ATOM 176 O ALA A 18 11.930 17.927 18.534 1.00 0.00 O > ATOM 177 CB ALA A 18 9.687 15.729 17.581 1.00 0.00 C > ATOM 178 H ALA A 18 9.651 16.477 15.152 1.00 0.00 H > ATOM 179 HA ALA A 18 9.579 17.865 17.643 1.00 0.00 H > ATOM 180 1HB ALA A 18 9.838 15.623 18.655 1.00 0.00 H > ATOM 181 2HB ALA A 18 8.626 15.622 17.352 1.00 0.00 H > ATOM 182 3HB ALA A 18 10.250 14.958 17.058 1.00 0.00 H > ATOM 183 N ALA A 19 12.528 16.772 16.699 1.00 0.00 N > ATOM 184 CA ALA A 19 13.959 16.949 16.915 1.00 0.00 C > ATOM 185 C ALA A 19 14.352 18.418 16.816 1.00 0.00 C > ATOM 186 O ALA A 19 15.163 18.907 17.602 1.00 0.00 O > ATOM 187 CB ALA A 19 14.752 16.120 15.915 1.00 0.00 C > ATOM 188 H ALA A 19 12.213 16.230 15.906 1.00 0.00 H > ATOM 189 HA ALA A 19 14.194 16.608 17.923 1.00 0.00 H > ATOM 190 1HB ALA A 19 15.819 16.264 16.089 1.00 0.00 H > ATOM 191 2HB ALA A 19 14.503 15.066 16.038 1.00 0.00 H > ATOM 192 3HB ALA A 19 14.505 16.436 14.903 1.00 0.00 H > ATOM 193 N ALA A 20 13.774 19.116 15.845 1.00 0.00 N > ATOM 194 CA ALA A 20 14.011 20.545 15.683 1.00 0.00 C > ATOM 195 C ALA A 20 13.512 21.326 16.892 1.00 0.00 C > ATOM 196 O ALA A 20 14.166 22.262 17.352 1.00 0.00 O > ATOM 197 CB ALA A 20 13.343 21.053 14.413 1.00 0.00 C > ATOM 198 H ALA A 20 13.154 18.644 15.201 1.00 0.00 H > ATOM 199 HA ALA A 20 15.086 20.704 15.604 1.00 0.00 H > ATOM 200 1HB ALA A 20 13.529 22.122 14.307 1.00 0.00 H > ATOM 201 2HB ALA A 20 13.752 20.526 13.551 1.00 0.00 H > ATOM 202 3HB ALA A 20 12.270 20.876 14.471 1.00 0.00 H > ATOM 203 N ALA A 21 12.349 20.937 17.403 1.00 0.00 N > ATOM 204 CA ALA A 21 11.789 21.559 18.597 1.00 0.00 C > ATOM 205 C ALA A 21 12.684 21.330 19.808 1.00 0.00 C > ATOM 206 O ALA A 21 12.864 22.222 20.637 1.00 0.00 O > ATOM 207 CB ALA A 21 10.389 21.027 18.865 1.00 0.00 C > ATOM 208 H ALA A 21 11.839 20.190 16.952 1.00 0.00 H > ATOM 209 HA ALA A 21 11.731 22.634 18.423 1.00 0.00 H > ATOM 210 1HB ALA A 21 9.985 21.501 19.759 1.00 0.00 H > ATOM 211 2HB ALA A 21 9.746 21.251 18.013 1.00 0.00 H > ATOM 212 3HB ALA A 21 10.432 19.950 19.014 1.00 0.00 H > ATOM 213 N ALA A 22 13.242 20.128 19.906 1.00 0.00 N > ATOM 214 CA ALA A 22 14.180 19.804 20.974 1.00 0.00 C > ATOM 215 C ALA A 22 15.455 20.629 20.858 1.00 0.00 C > ATOM 216 O ALA A 22 16.009 21.077 21.862 1.00 0.00 O > ATOM 217 CB ALA A 22 14.509 18.318 20.957 1.00 0.00 C > ATOM 218 H ALA A 22 13.012 19.421 19.222 1.00 0.00 H > ATOM 219 HA ALA A 22 13.708 20.050 21.925 1.00 0.00 H > ATOM 220 1HB ALA A 22 15.210 18.091 21.761 1.00 0.00 H > ATOM 221 2HB ALA A 22 13.595 17.741 21.099 1.00 0.00 H > ATOM 222 3HB ALA A 22 14.957 18.056 20.000 1.00 0.00 H > ATOM 223 N ALA A 23 15.915 20.828 19.628 1.00 0.00 N > ATOM 224 CA ALA A 23 17.097 21.644 19.375 1.00 0.00 C > ATOM 225 C ALA A 23 16.844 23.104 19.728 1.00 0.00 C > ATOM 226 O ALA A 23 17.728 23.790 20.241 1.00 0.00 O > ATOM 227 CB ALA A 23 17.525 21.519 17.920 1.00 0.00 C > ATOM 228 H ALA A 23 15.435 20.402 18.848 1.00 0.00 H > ATOM 229 HA ALA A 23 17.903 21.280 20.012 1.00 0.00 H > ATOM 230 1HB ALA A 23 18.408 22.134 17.746 1.00 0.00 H > ATOM 231 2HB ALA A 23 17.758 20.477 17.697 1.00 0.00 H > ATOM 232 3HB ALA A 23 16.716 21.855 17.273 1.00 0.00 H > ATOM 233 N ALA A 24 15.632 23.573 19.452 1.00 0.00 N > ATOM 234 CA ALA A 24 15.258 24.950 19.749 1.00 0.00 C > ATOM 235 C ALA A 24 15.203 25.194 21.251 1.00 0.00 C > ATOM 236 O ALA A 24 14.909 24.285 22.027 1.00 0.00 O > ATOM 237 OXT ALA A 24 15.447 26.284 21.692 1.00 0.00 O > ATOM 238 CB ALA A 24 13.918 25.285 19.109 1.00 0.00 C > ATOM 239 H ALA A 24 14.953 22.960 19.025 1.00 0.00 H > ATOM 240 HA ALA A 24 16.022 25.607 19.332 1.00 0.00 H > ATOM 241 1HB ALA A 24 13.652 26.317 19.340 1.00 0.00 H > ATOM 242 2HB ALA A 24 13.990 25.162 18.029 1.00 0.00 H > ATOM 243 3HB ALA A 24 13.152 24.617 19.500 1.00 0.00 H 526,550c526,550 < pose -79.2382 5.58258 45.6058 0.02268 -2.55613 0 -16.8568 0 0 0 0 -4.91333 1.31337 0 -4.90206 0 18.5698 -37.3722 < ALA:NtermProteinFull_1 -1.77851 0.17508 1.38564 0.00106 0.46367 0 0 0 0 0 0 0 0.06897 0 0 0 0.77374 1.08964 < ALA_2 -2.07614 0.19671 1.27215 0.00094 0.34234 0 0 0 0 0 0 -0.26554 0.00499 0 -0.24333 0 0.77374 0.00588 < ALA_3 -2.56365 0.2603 1.57402 0.00093 0.11012 0 0 0 0 0 0 -0.2225 0.04128 0 -0.231 0 0.77374 -0.25676 < ALA_4 -3.23222 0.25003 1.90056 0.00092 0.00873 0 0 0 0 0 0 -0.22235 0.07796 0 -0.20004 0 0.77374 -0.64266 < ALA_5 -3.61861 0.22867 1.97956 0.00093 -0.20608 0 0 0 0 0 0 -0.22248 0.06915 0 -0.22789 0 0.77374 -1.22301 < ALA_6 -3.6868 0.25484 2.04758 0.00092 -0.31638 0 0 0 0 0 0 -0.2128 0.06692 0 -0.21902 0 0.77374 -1.29099 < ALA_7 -3.68872 0.24103 2.03911 0.00093 -0.27607 0 0 0 0 0 0 -0.21948 0.06282 0 -0.22706 0 0.77374 -1.2937 < ALA_8 -3.69964 0.2536 2.0527 0.00093 -0.30115 0 0 0 0 0 0 -0.21439 0.0626 0 -0.22274 0 0.77374 -1.29435 < ALA_9 -3.69202 0.24701 2.04843 0.00093 -0.29183 0 0 0 0 0 0 -0.21742 0.06208 0 -0.22511 0 0.77374 -1.29419 < ALA_10 -3.69401 0.25028 2.04935 0.00093 -0.29733 0 0 0 0 0 0 -0.21588 0.06312 0 -0.22384 0 0.77374 -1.29364 < ALA_11 -3.69252 0.24847 2.04916 0.00093 -0.29537 0 0 0 0 0 0 -0.21682 0.06175 0 -0.22458 0 0.77374 -1.29524 < ALA_12 -3.69326 0.24959 2.04911 0.00093 -0.29599 0 0 0 0 0 0 -0.21623 0.06309 0 -0.22404 0 0.77374 -1.29306 < ALA_13 -3.69247 0.24879 2.04895 0.00093 -0.29586 0 0 0 0 0 0 -0.21665 0.06186 0 -0.22443 0 0.77374 -1.29515 < ALA_14 -3.69286 0.24943 2.04886 0.00093 -0.29579 0 0 0 0 0 0 -0.21644 0.06288 0 -0.2242 0 0.77374 -1.29346 < ALA_15 -3.69188 0.24889 2.04867 0.00093 -0.2965 0 0 0 0 0 0 -0.21661 0.0622 0 -0.22438 0 0.77374 -1.29494 < ALA_16 -3.69237 0.24933 2.04821 0.00093 -0.29481 0 0 0 0 0 0 -0.21682 0.0618 0 -0.22434 0 0.77374 -1.29434 < ALA_17 -3.69191 0.24918 2.04925 0.00093 -0.29548 0 0 0 0 0 0 -0.21583 0.06353 0 -0.22404 0 0.77374 -1.29062 < ALA_18 -3.69525 0.24923 2.05008 0.00093 -0.28818 0 0 0 0 0 0 -0.21587 0.06194 0 -0.22416 0 0.77374 -1.28755 < ALA_19 -3.70011 0.25156 2.05661 0.00093 -0.29166 0 0 0 0 0 0 -0.21526 0.06405 0 -0.22498 0 0.77374 -1.28512 < ALA_20 -3.72075 0.25742 2.07644 0.00093 -0.24104 0 0 0 0 0 0 -0.21614 0.05206 0 -0.2241 0 0.77374 -1.24144 < ALA_21 -3.37568 0.2266 1.9258 0.00093 0.14731 0 0 0 0 0 0 -0.24134 0.08033 0 -0.22901 0 0.77374 -0.69133 < ALA_22 -2.72009 0.23366 1.667 0.00093 0.09657 0 0 0 0 0 0 -0.23776 0.03688 0 -0.21197 0 0.77374 -0.36104 < ALA_23 -2.20949 0.14315 1.41829 0.00093 0.3104 0 0 0 0 0 0 -0.25872 0.00111 0 -0.19777 0 0.77374 -0.01835 < ALA:CtermProteinFull_24 -2.23922 0.11971 1.72031 0.00121 0.54423 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.91999 --- > pose -79.2386 5.58287 45.6062 0.02268 -2.55609 0 -16.857 0 0 0 0 -4.91335 1.31343 0 -4.90209 0 18.5698 -37.3722 > ALA:NtermProteinFull_1 -1.77843 0.17512 1.38561 0.00106 0.46366 0 0 0 0 0 0 0 0.06883 0 0 0 0.77374 1.08959 > ALA_2 -2.07616 0.19672 1.27215 0.00094 0.3422 0 0 0 0 0 0 -0.26565 0.005 0 -0.24332 0 0.77374 0.00564 > ALA_3 -2.56381 0.26035 1.57422 0.00093 0.11008 0 0 0 0 0 0 -0.22251 0.04123 0 -0.23102 0 0.77374 -0.25679 > ALA_4 -3.2324 0.25008 1.90066 0.00092 0.00866 0 0 0 0 0 0 -0.22229 0.07805 0 -0.19999 0 0.77374 -0.64256 > ALA_5 -3.6185 0.22859 1.97944 0.00093 -0.20594 0 0 0 0 0 0 -0.22247 0.06933 0 -0.2279 0 0.77374 -1.22278 > ALA_6 -3.68695 0.25488 2.04767 0.00092 -0.31646 0 0 0 0 0 0 -0.21275 0.06693 0 -0.21901 0 0.77374 -1.29102 > ALA_7 -3.68888 0.24104 2.03921 0.00093 -0.2761 0 0 0 0 0 0 -0.21948 0.06282 0 -0.22708 0 0.77374 -1.29379 > ALA_8 -3.69971 0.25363 2.05276 0.00093 -0.3012 0 0 0 0 0 0 -0.21439 0.06244 0 -0.22276 0 0.77374 -1.29455 > ALA_9 -3.69198 0.24706 2.0484 0.00093 -0.29176 0 0 0 0 0 0 -0.21737 0.06215 0 -0.22507 0 0.77374 -1.2939 > ALA_10 -3.69369 0.25017 2.04915 0.00093 -0.29729 0 0 0 0 0 0 -0.21596 0.06312 0 -0.22389 0 0.77374 -1.29372 > ALA_11 -3.69269 0.2486 2.04928 0.00093 -0.29539 0 0 0 0 0 0 -0.21679 0.06159 0 -0.22456 0 0.77374 -1.29529 > ALA_12 -3.69314 0.24957 2.04905 0.00093 -0.296 0 0 0 0 0 0 -0.21624 0.06323 0 -0.22404 0 0.77374 -1.29291 > ALA_13 -3.69238 0.24875 2.04889 0.00093 -0.29585 0 0 0 0 0 0 -0.2167 0.06175 0 -0.22446 0 0.77374 -1.29534 > ALA_14 -3.69303 0.24951 2.04896 0.00093 -0.29576 0 0 0 0 0 0 -0.21637 0.06291 0 -0.22416 0 0.77374 -1.29327 > ALA_15 -3.69169 0.24875 2.04856 0.00093 -0.29657 0 0 0 0 0 0 -0.21666 0.06232 0 -0.2244 0 0.77374 -1.29501 > ALA_16 -3.69261 0.24935 2.04835 0.00093 -0.29483 0 0 0 0 0 0 -0.21681 0.06165 0 -0.22434 0 0.77374 -1.29456 > ALA_17 -3.69212 0.24924 2.0494 0.00093 -0.29549 0 0 0 0 0 0 -0.21576 0.06367 0 -0.22399 0 0.77374 -1.29039 > ALA_18 -3.69509 0.24916 2.0499 0.00093 -0.28809 0 0 0 0 0 0 -0.2159 0.06202 0 -0.22419 0 0.77374 -1.28751 > ALA_19 -3.69993 0.25154 2.05648 0.00093 -0.29162 0 0 0 0 0 0 -0.21528 0.0641 0 -0.225 0 0.77374 -1.28504 > ALA_20 -3.72099 0.25756 2.07666 0.00093 -0.24118 0 0 0 0 0 0 -0.2162 0.05186 0 -0.2241 0 0.77374 -1.24172 > ALA_21 -3.37577 0.22667 1.92584 0.00093 0.14732 0 0 0 0 0 0 -0.24132 0.08035 0 -0.22905 0 0.77374 -0.69129 > ALA_22 -2.71978 0.23364 1.66682 0.00093 0.09668 0 0 0 0 0 0 -0.23773 0.03694 0 -0.21197 0 0.77374 -0.36073 > ALA_23 -2.20948 0.14313 1.41825 0.00093 0.31061 0 0 0 0 0 0 -0.25871 0.00113 0 -0.1978 0 0.77374 -0.01818 > ALA:CtermProteinFull_24 -2.23941 0.11976 1.72046 0.00121 0.5442 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.91997 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0011.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0011.pdb 22,23c22,23 < ATOM 13 N ALA A 2 1.774 2.140 -1.092 1.00 0.00 N < ATOM 14 CA ALA A 2 2.307 3.488 -1.249 1.00 0.00 C --- > ATOM 13 N ALA A 2 1.775 2.140 -1.092 1.00 0.00 N > ATOM 14 CA ALA A 2 2.308 3.488 -1.250 1.00 0.00 C 26,27c26,27 < ATOM 17 CB ALA A 2 1.987 4.026 -2.637 1.00 0.00 C < ATOM 18 H ALA A 2 1.212 1.744 -1.831 1.00 0.00 H --- > ATOM 17 CB ALA A 2 1.988 4.025 -2.637 1.00 0.00 C > ATOM 18 H ALA A 2 1.213 1.744 -1.832 1.00 0.00 H 29,31c29,31 < ATOM 20 1HB ALA A 2 2.391 5.033 -2.739 1.00 0.00 H < ATOM 21 2HB ALA A 2 2.433 3.377 -3.390 1.00 0.00 H < ATOM 22 3HB ALA A 2 0.907 4.053 -2.775 1.00 0.00 H --- > ATOM 20 1HB ALA A 2 2.392 5.032 -2.739 1.00 0.00 H > ATOM 21 2HB ALA A 2 2.434 3.376 -3.390 1.00 0.00 H > ATOM 22 3HB ALA A 2 0.908 4.052 -2.776 1.00 0.00 H 33c33 < ATOM 24 CA ALA A 3 -0.148 5.061 1.191 1.00 0.00 C --- > ATOM 24 CA ALA A 3 -0.148 5.061 1.190 1.00 0.00 C 35,55c35,55 < ATOM 26 O ALA A 3 0.725 5.835 3.288 1.00 0.00 O < ATOM 27 CB ALA A 3 -1.629 4.725 1.289 1.00 0.00 C < ATOM 28 H ALA A 3 -0.046 3.524 -0.294 1.00 0.00 H < ATOM 29 HA ALA A 3 -0.041 6.108 0.906 1.00 0.00 H < ATOM 30 1HB ALA A 3 -2.091 5.342 2.059 1.00 0.00 H < ATOM 31 2HB ALA A 3 -2.110 4.919 0.331 1.00 0.00 H < ATOM 32 3HB ALA A 3 -1.746 3.674 1.548 1.00 0.00 H < ATOM 33 N ALA A 4 0.883 3.633 2.856 1.00 0.00 N < ATOM 34 CA ALA A 4 1.587 3.326 4.095 1.00 0.00 C < ATOM 35 C ALA A 4 2.979 3.944 4.105 1.00 0.00 C < ATOM 36 O ALA A 4 3.437 4.450 5.129 1.00 0.00 O < ATOM 37 CB ALA A 4 1.676 1.820 4.295 1.00 0.00 C < ATOM 38 H ALA A 4 0.658 2.882 2.219 1.00 0.00 H < ATOM 39 HA ALA A 4 1.024 3.759 4.921 1.00 0.00 H < ATOM 40 1HB ALA A 4 2.204 1.607 5.224 1.00 0.00 H < ATOM 41 2HB ALA A 4 0.671 1.400 4.345 1.00 0.00 H < ATOM 42 3HB ALA A 4 2.215 1.373 3.461 1.00 0.00 H < ATOM 43 N ALA A 5 3.649 3.900 2.958 1.00 0.00 N < ATOM 44 CA ALA A 5 4.959 4.522 2.811 1.00 0.00 C < ATOM 45 C ALA A 5 4.878 6.030 3.007 1.00 0.00 C < ATOM 46 O ALA A 5 5.749 6.632 3.636 1.00 0.00 O --- > ATOM 26 O ALA A 3 0.724 5.835 3.287 1.00 0.00 O > ATOM 27 CB ALA A 3 -1.629 4.725 1.288 1.00 0.00 C > ATOM 28 H ALA A 3 -0.046 3.524 -0.295 1.00 0.00 H > ATOM 29 HA ALA A 3 -0.041 6.108 0.905 1.00 0.00 H > ATOM 30 1HB ALA A 3 -2.092 5.343 2.058 1.00 0.00 H > ATOM 31 2HB ALA A 3 -2.110 4.919 0.329 1.00 0.00 H > ATOM 32 3HB ALA A 3 -1.747 3.674 1.547 1.00 0.00 H > ATOM 33 N ALA A 4 0.882 3.633 2.855 1.00 0.00 N > ATOM 34 CA ALA A 4 1.586 3.326 4.095 1.00 0.00 C > ATOM 35 C ALA A 4 2.978 3.944 4.105 1.00 0.00 C > ATOM 36 O ALA A 4 3.436 4.450 5.129 1.00 0.00 O > ATOM 37 CB ALA A 4 1.675 1.820 4.295 1.00 0.00 C > ATOM 38 H ALA A 4 0.658 2.882 2.218 1.00 0.00 H > ATOM 39 HA ALA A 4 1.022 3.760 4.921 1.00 0.00 H > ATOM 40 1HB ALA A 4 2.203 1.607 5.224 1.00 0.00 H > ATOM 41 2HB ALA A 4 0.670 1.400 4.344 1.00 0.00 H > ATOM 42 3HB ALA A 4 2.214 1.374 3.461 1.00 0.00 H > ATOM 43 N ALA A 5 3.648 3.899 2.958 1.00 0.00 N > ATOM 44 CA ALA A 5 4.959 4.521 2.811 1.00 0.00 C > ATOM 45 C ALA A 5 4.878 6.030 3.008 1.00 0.00 C > ATOM 46 O ALA A 5 5.749 6.631 3.636 1.00 0.00 O 57,61c57,61 < ATOM 48 H ALA A 5 3.239 3.423 2.167 1.00 0.00 H < ATOM 49 HA ALA A 5 5.614 4.119 3.584 1.00 0.00 H < ATOM 50 1HB ALA A 5 6.528 4.668 1.352 1.00 0.00 H < ATOM 51 2HB ALA A 5 5.656 3.117 1.344 1.00 0.00 H < ATOM 52 3HB ALA A 5 4.890 4.572 0.666 1.00 0.00 H --- > ATOM 48 H ALA A 5 3.239 3.422 2.167 1.00 0.00 H > ATOM 49 HA ALA A 5 5.613 4.119 3.585 1.00 0.00 H > ATOM 50 1HB ALA A 5 6.528 4.668 1.353 1.00 0.00 H > ATOM 51 2HB ALA A 5 5.656 3.117 1.345 1.00 0.00 H > ATOM 52 3HB ALA A 5 4.890 4.572 0.667 1.00 0.00 H 63c63 < ATOM 54 CA ALA A 6 3.592 8.065 2.641 1.00 0.00 C --- > ATOM 54 CA ALA A 6 3.592 8.064 2.641 1.00 0.00 C 66,67c66,67 < ATOM 57 CB ALA A 6 2.416 8.517 1.788 1.00 0.00 C < ATOM 58 H ALA A 6 3.174 6.094 1.920 1.00 0.00 H --- > ATOM 57 CB ALA A 6 2.416 8.517 1.787 1.00 0.00 C > ATOM 58 H ALA A 6 3.173 6.094 1.920 1.00 0.00 H 70,107c70,107 < ATOM 61 2HB ALA A 6 2.631 8.318 0.738 1.00 0.00 H < ATOM 62 3HB ALA A 6 1.522 7.972 2.084 1.00 0.00 H < ATOM 63 N ALA A 7 2.583 7.560 4.786 1.00 0.00 N < ATOM 64 CA ALA A 7 2.328 7.733 6.211 1.00 0.00 C < ATOM 65 C ALA A 7 3.616 7.631 7.018 1.00 0.00 C < ATOM 66 O ALA A 7 3.832 8.393 7.960 1.00 0.00 O < ATOM 67 CB ALA A 7 1.316 6.706 6.697 1.00 0.00 C < ATOM 68 H ALA A 7 2.168 6.775 4.304 1.00 0.00 H < ATOM 69 HA ALA A 7 1.918 8.732 6.362 1.00 0.00 H < ATOM 70 1HB ALA A 7 1.136 6.849 7.763 1.00 0.00 H < ATOM 71 2HB ALA A 7 0.381 6.830 6.151 1.00 0.00 H < ATOM 72 3HB ALA A 7 1.705 5.704 6.526 1.00 0.00 H < ATOM 73 N ALA A 8 4.469 6.684 6.642 1.00 0.00 N < ATOM 74 CA ALA A 8 5.767 6.523 7.287 1.00 0.00 C < ATOM 75 C ALA A 8 6.643 7.752 7.077 1.00 0.00 C < ATOM 76 O ALA A 8 7.335 8.197 7.993 1.00 0.00 O < ATOM 77 CB ALA A 8 6.469 5.279 6.763 1.00 0.00 C < ATOM 78 H ALA A 8 4.212 6.060 5.891 1.00 0.00 H < ATOM 79 HA ALA A 8 5.602 6.411 8.358 1.00 0.00 H < ATOM 80 1HB ALA A 8 7.436 5.172 7.253 1.00 0.00 H < ATOM 81 2HB ALA A 8 5.857 4.401 6.972 1.00 0.00 H < ATOM 82 3HB ALA A 8 6.615 5.370 5.688 1.00 0.00 H < ATOM 83 N ALA A 9 6.608 8.297 5.865 1.00 0.00 N < ATOM 84 CA ALA A 9 7.345 9.515 5.552 1.00 0.00 C < ATOM 85 C ALA A 9 6.841 10.692 6.378 1.00 0.00 C < ATOM 86 O ALA A 9 7.628 11.505 6.862 1.00 0.00 O < ATOM 87 CB ALA A 9 7.242 9.830 4.067 1.00 0.00 C < ATOM 88 H ALA A 9 6.057 7.856 5.143 1.00 0.00 H < ATOM 89 HA ALA A 9 8.392 9.353 5.807 1.00 0.00 H < ATOM 90 1HB ALA A 9 7.797 10.742 3.848 1.00 0.00 H < ATOM 91 2HB ALA A 9 7.660 9.004 3.490 1.00 0.00 H < ATOM 92 3HB ALA A 9 6.197 9.968 3.796 1.00 0.00 H < ATOM 93 N ALA A 10 5.525 10.777 6.536 1.00 0.00 N < ATOM 94 CA ALA A 10 4.917 11.815 7.360 1.00 0.00 C < ATOM 95 C ALA A 10 5.341 11.681 8.817 1.00 0.00 C < ATOM 96 O ALA A 10 5.617 12.676 9.487 1.00 0.00 O < ATOM 97 CB ALA A 10 3.401 11.764 7.244 1.00 0.00 C < ATOM 98 H ALA A 10 4.929 10.104 6.074 1.00 0.00 H --- > ATOM 61 2HB ALA A 6 2.632 8.318 0.737 1.00 0.00 H > ATOM 62 3HB ALA A 6 1.522 7.972 2.083 1.00 0.00 H > ATOM 63 N ALA A 7 2.582 7.560 4.785 1.00 0.00 N > ATOM 64 CA ALA A 7 2.327 7.734 6.210 1.00 0.00 C > ATOM 65 C ALA A 7 3.615 7.631 7.017 1.00 0.00 C > ATOM 66 O ALA A 7 3.830 8.393 7.960 1.00 0.00 O > ATOM 67 CB ALA A 7 1.315 6.706 6.696 1.00 0.00 C > ATOM 68 H ALA A 7 2.168 6.775 4.303 1.00 0.00 H > ATOM 69 HA ALA A 7 1.917 8.732 6.362 1.00 0.00 H > ATOM 70 1HB ALA A 7 1.135 6.849 7.762 1.00 0.00 H > ATOM 71 2HB ALA A 7 0.380 6.831 6.150 1.00 0.00 H > ATOM 72 3HB ALA A 7 1.704 5.704 6.525 1.00 0.00 H > ATOM 73 N ALA A 8 4.468 6.684 6.642 1.00 0.00 N > ATOM 74 CA ALA A 8 5.766 6.523 7.287 1.00 0.00 C > ATOM 75 C ALA A 8 6.641 7.752 7.077 1.00 0.00 C > ATOM 76 O ALA A 8 7.333 8.197 7.993 1.00 0.00 O > ATOM 77 CB ALA A 8 6.467 5.278 6.763 1.00 0.00 C > ATOM 78 H ALA A 8 4.211 6.060 5.891 1.00 0.00 H > ATOM 79 HA ALA A 8 5.600 6.410 8.358 1.00 0.00 H > ATOM 80 1HB ALA A 8 7.434 5.172 7.254 1.00 0.00 H > ATOM 81 2HB ALA A 8 5.855 4.401 6.973 1.00 0.00 H > ATOM 82 3HB ALA A 8 6.614 5.369 5.688 1.00 0.00 H > ATOM 83 N ALA A 9 6.607 8.297 5.866 1.00 0.00 N > ATOM 84 CA ALA A 9 7.344 9.515 5.552 1.00 0.00 C > ATOM 85 C ALA A 9 6.840 10.692 6.378 1.00 0.00 C > ATOM 86 O ALA A 9 7.627 11.505 6.862 1.00 0.00 O > ATOM 87 CB ALA A 9 7.242 9.829 4.067 1.00 0.00 C > ATOM 88 H ALA A 9 6.056 7.855 5.143 1.00 0.00 H > ATOM 89 HA ALA A 9 8.391 9.352 5.807 1.00 0.00 H > ATOM 90 1HB ALA A 9 7.797 10.741 3.849 1.00 0.00 H > ATOM 91 2HB ALA A 9 7.659 9.003 3.491 1.00 0.00 H > ATOM 92 3HB ALA A 9 6.196 9.968 3.796 1.00 0.00 H > ATOM 93 N ALA A 10 5.524 10.776 6.536 1.00 0.00 N > ATOM 94 CA ALA A 10 4.916 11.815 7.359 1.00 0.00 C > ATOM 95 C ALA A 10 5.340 11.681 8.816 1.00 0.00 C > ATOM 96 O ALA A 10 5.615 12.675 9.487 1.00 0.00 O > ATOM 97 CB ALA A 10 3.400 11.764 7.243 1.00 0.00 C > ATOM 98 H ALA A 10 4.928 10.104 6.073 1.00 0.00 H 109,252c109,252 < ATOM 100 1HB ALA A 10 2.962 12.545 7.864 1.00 0.00 H < ATOM 101 2HB ALA A 10 3.110 11.920 6.205 1.00 0.00 H < ATOM 102 3HB ALA A 10 3.043 10.792 7.578 1.00 0.00 H < ATOM 103 N ALA A 11 5.391 10.445 9.302 1.00 0.00 N < ATOM 104 CA ALA A 11 5.847 10.172 10.659 1.00 0.00 C < ATOM 105 C ALA A 11 7.303 10.579 10.844 1.00 0.00 C < ATOM 106 O ALA A 11 7.676 11.137 11.876 1.00 0.00 O < ATOM 107 CB ALA A 11 5.663 8.699 10.994 1.00 0.00 C < ATOM 108 H ALA A 11 5.107 9.674 8.714 1.00 0.00 H < ATOM 109 HA ALA A 11 5.244 10.768 11.345 1.00 0.00 H < ATOM 110 1HB ALA A 11 6.008 8.511 12.011 1.00 0.00 H < ATOM 111 2HB ALA A 11 4.608 8.437 10.915 1.00 0.00 H < ATOM 112 3HB ALA A 11 6.241 8.093 10.298 1.00 0.00 H < ATOM 113 N ALA A 12 8.123 10.296 9.838 1.00 0.00 N < ATOM 114 CA ALA A 12 9.526 10.693 9.858 1.00 0.00 C < ATOM 115 C ALA A 12 9.670 12.209 9.887 1.00 0.00 C < ATOM 116 O ALA A 12 10.518 12.748 10.598 1.00 0.00 O < ATOM 117 CB ALA A 12 10.258 10.115 8.655 1.00 0.00 C < ATOM 118 H ALA A 12 7.766 9.794 9.038 1.00 0.00 H < ATOM 119 HA ALA A 12 9.977 10.297 10.768 1.00 0.00 H < ATOM 120 1HB ALA A 12 11.304 10.420 8.684 1.00 0.00 H < ATOM 121 2HB ALA A 12 10.196 9.027 8.680 1.00 0.00 H < ATOM 122 3HB ALA A 12 9.798 10.484 7.739 1.00 0.00 H < ATOM 123 N ALA A 13 8.836 12.892 9.110 1.00 0.00 N < ATOM 124 CA ALA A 13 8.822 14.350 9.096 1.00 0.00 C < ATOM 125 C ALA A 13 8.423 14.910 10.455 1.00 0.00 C < ATOM 126 O ALA A 13 8.996 15.893 10.925 1.00 0.00 O < ATOM 127 CB ALA A 13 7.880 14.861 8.016 1.00 0.00 C < ATOM 128 H ALA A 13 8.195 12.389 8.514 1.00 0.00 H < ATOM 129 HA ALA A 13 9.832 14.696 8.876 1.00 0.00 H < ATOM 130 1HB ALA A 13 7.881 15.951 8.018 1.00 0.00 H < ATOM 131 2HB ALA A 13 8.212 14.500 7.043 1.00 0.00 H < ATOM 132 3HB ALA A 13 6.872 14.499 8.212 1.00 0.00 H < ATOM 133 N ALA A 14 7.437 14.279 11.083 1.00 0.00 N < ATOM 134 CA ALA A 14 7.004 14.671 12.419 1.00 0.00 C < ATOM 135 C ALA A 14 8.120 14.480 13.438 1.00 0.00 C < ATOM 136 O ALA A 14 8.320 15.316 14.319 1.00 0.00 O < ATOM 137 CB ALA A 14 5.771 13.880 12.830 1.00 0.00 C < ATOM 138 H ALA A 14 6.975 13.508 10.623 1.00 0.00 H < ATOM 139 HA ALA A 14 6.752 15.732 12.396 1.00 0.00 H < ATOM 140 1HB ALA A 14 5.460 14.184 13.830 1.00 0.00 H < ATOM 141 2HB ALA A 14 4.963 14.073 12.125 1.00 0.00 H < ATOM 142 3HB ALA A 14 6.006 12.817 12.831 1.00 0.00 H < ATOM 143 N ALA A 15 8.846 13.374 13.312 1.00 0.00 N < ATOM 144 CA ALA A 15 9.986 13.103 14.179 1.00 0.00 C < ATOM 145 C ALA A 15 11.079 14.148 13.995 1.00 0.00 C < ATOM 146 O ALA A 15 11.693 14.597 14.963 1.00 0.00 O < ATOM 147 CB ALA A 15 10.537 11.710 13.911 1.00 0.00 C < ATOM 148 H ALA A 15 8.601 12.704 12.597 1.00 0.00 H < ATOM 149 HA ALA A 15 9.646 13.155 15.213 1.00 0.00 H < ATOM 150 1HB ALA A 15 11.387 11.523 14.566 1.00 0.00 H < ATOM 151 2HB ALA A 15 9.760 10.969 14.104 1.00 0.00 H < ATOM 152 3HB ALA A 15 10.856 11.639 12.873 1.00 0.00 H < ATOM 153 N ALA A 16 11.318 14.533 12.745 1.00 0.00 N < ATOM 154 CA ALA A 16 12.290 15.575 12.437 1.00 0.00 C < ATOM 155 C ALA A 16 11.876 16.911 13.041 1.00 0.00 C < ATOM 156 O ALA A 16 12.708 17.651 13.565 1.00 0.00 O < ATOM 157 CB ALA A 16 12.466 15.708 10.932 1.00 0.00 C < ATOM 158 H ALA A 16 10.813 14.092 11.990 1.00 0.00 H < ATOM 159 HA ALA A 16 13.244 15.290 12.880 1.00 0.00 H < ATOM 160 1HB ALA A 16 13.194 16.490 10.717 1.00 0.00 H < ATOM 161 2HB ALA A 16 12.818 14.761 10.522 1.00 0.00 H < ATOM 162 3HB ALA A 16 11.511 15.967 10.476 1.00 0.00 H < ATOM 163 N ALA A 17 10.584 17.214 12.965 1.00 0.00 N < ATOM 164 CA ALA A 17 10.045 18.429 13.564 1.00 0.00 C < ATOM 165 C ALA A 17 10.218 18.421 15.077 1.00 0.00 C < ATOM 166 O ALA A 17 10.555 19.440 15.679 1.00 0.00 O < ATOM 167 CB ALA A 17 8.577 18.593 13.200 1.00 0.00 C < ATOM 168 H ALA A 17 9.959 16.586 12.479 1.00 0.00 H < ATOM 169 HA ALA A 17 10.604 19.278 13.169 1.00 0.00 H < ATOM 170 1HB ALA A 17 8.189 19.505 13.654 1.00 0.00 H < ATOM 171 2HB ALA A 17 8.476 18.656 12.116 1.00 0.00 H < ATOM 172 3HB ALA A 17 8.014 17.737 13.567 1.00 0.00 H < ATOM 173 N ALA A 18 9.985 17.264 15.688 1.00 0.00 N < ATOM 174 CA ALA A 18 10.180 17.102 17.124 1.00 0.00 C < ATOM 175 C ALA A 18 11.640 17.304 17.507 1.00 0.00 C < ATOM 176 O ALA A 18 11.944 17.929 18.524 1.00 0.00 O < ATOM 177 CB ALA A 18 9.700 15.730 17.572 1.00 0.00 C < ATOM 178 H ALA A 18 9.664 16.476 15.143 1.00 0.00 H < ATOM 179 HA ALA A 18 9.592 17.866 17.633 1.00 0.00 H < ATOM 180 1HB ALA A 18 9.852 15.624 18.646 1.00 0.00 H < ATOM 181 2HB ALA A 18 8.639 15.622 17.344 1.00 0.00 H < ATOM 182 3HB ALA A 18 10.263 14.959 17.049 1.00 0.00 H < ATOM 183 N ALA A 19 12.541 16.772 16.688 1.00 0.00 N < ATOM 184 CA ALA A 19 13.972 16.950 16.904 1.00 0.00 C < ATOM 185 C ALA A 19 14.365 18.419 16.804 1.00 0.00 C < ATOM 186 O ALA A 19 15.176 18.909 17.589 1.00 0.00 O < ATOM 187 CB ALA A 19 14.765 16.121 15.905 1.00 0.00 C < ATOM 188 H ALA A 19 12.226 16.230 15.896 1.00 0.00 H < ATOM 189 HA ALA A 19 14.207 16.609 17.912 1.00 0.00 H < ATOM 190 1HB ALA A 19 15.832 16.265 16.078 1.00 0.00 H < ATOM 191 2HB ALA A 19 14.516 15.067 16.028 1.00 0.00 H < ATOM 192 3HB ALA A 19 14.517 16.436 14.892 1.00 0.00 H < ATOM 193 N ALA A 20 13.786 19.116 15.832 1.00 0.00 N < ATOM 194 CA ALA A 20 14.023 20.545 15.669 1.00 0.00 C < ATOM 195 C ALA A 20 13.524 21.328 16.878 1.00 0.00 C < ATOM 196 O ALA A 20 14.179 22.264 17.337 1.00 0.00 O < ATOM 197 CB ALA A 20 13.355 21.052 14.399 1.00 0.00 C < ATOM 198 H ALA A 20 13.166 18.644 15.190 1.00 0.00 H < ATOM 199 HA ALA A 20 15.099 20.704 15.590 1.00 0.00 H < ATOM 200 1HB ALA A 20 13.541 22.121 14.292 1.00 0.00 H < ATOM 201 2HB ALA A 20 13.765 20.524 13.538 1.00 0.00 H < ATOM 202 3HB ALA A 20 12.283 20.875 14.457 1.00 0.00 H < ATOM 203 N ALA A 21 12.361 20.938 17.389 1.00 0.00 N < ATOM 204 CA ALA A 21 11.803 21.561 18.583 1.00 0.00 C < ATOM 205 C ALA A 21 12.698 21.333 19.794 1.00 0.00 C < ATOM 206 O ALA A 21 12.879 22.226 20.621 1.00 0.00 O < ATOM 207 CB ALA A 21 10.403 21.029 18.853 1.00 0.00 C < ATOM 208 H ALA A 21 11.851 20.192 16.939 1.00 0.00 H < ATOM 209 HA ALA A 21 11.744 22.636 18.409 1.00 0.00 H < ATOM 210 1HB ALA A 21 9.999 21.504 19.747 1.00 0.00 H < ATOM 211 2HB ALA A 21 9.759 21.251 18.002 1.00 0.00 H < ATOM 212 3HB ALA A 21 10.446 19.951 19.002 1.00 0.00 H < ATOM 213 N ALA A 22 13.256 20.131 19.892 1.00 0.00 N < ATOM 214 CA ALA A 22 14.195 19.808 20.961 1.00 0.00 C < ATOM 215 C ALA A 22 15.469 20.633 20.843 1.00 0.00 C < ATOM 216 O ALA A 22 16.024 21.083 21.846 1.00 0.00 O < ATOM 217 CB ALA A 22 14.523 18.322 20.945 1.00 0.00 C < ATOM 218 H ALA A 22 13.025 19.424 19.210 1.00 0.00 H < ATOM 219 HA ALA A 22 13.723 20.055 21.912 1.00 0.00 H < ATOM 220 1HB ALA A 22 15.225 18.096 21.748 1.00 0.00 H < ATOM 221 2HB ALA A 22 13.609 17.746 21.088 1.00 0.00 H < ATOM 222 3HB ALA A 22 14.971 18.059 19.988 1.00 0.00 H < ATOM 223 N ALA A 23 15.930 20.830 19.612 1.00 0.00 N < ATOM 224 CA ALA A 23 17.111 21.645 19.357 1.00 0.00 C < ATOM 225 C ALA A 23 16.860 23.105 19.712 1.00 0.00 C < ATOM 226 O ALA A 23 17.745 23.791 20.224 1.00 0.00 O < ATOM 227 CB ALA A 23 17.537 21.520 17.902 1.00 0.00 C < ATOM 228 H ALA A 23 15.449 20.403 18.833 1.00 0.00 H < ATOM 229 HA ALA A 23 17.918 21.281 19.994 1.00 0.00 H < ATOM 230 1HB ALA A 23 18.420 22.135 17.727 1.00 0.00 H < ATOM 231 2HB ALA A 23 17.770 20.479 17.679 1.00 0.00 H < ATOM 232 3HB ALA A 23 16.728 21.857 17.256 1.00 0.00 H < ATOM 233 N ALA A 24 15.648 23.575 19.437 1.00 0.00 N < ATOM 234 CA ALA A 24 15.275 24.953 19.735 1.00 0.00 C < ATOM 235 C ALA A 24 15.222 25.197 21.237 1.00 0.00 C < ATOM 236 O ALA A 24 14.930 24.287 22.014 1.00 0.00 O < ATOM 237 OXT ALA A 24 15.468 26.286 21.677 1.00 0.00 O < ATOM 238 CB ALA A 24 13.934 25.288 19.097 1.00 0.00 C < ATOM 239 H ALA A 24 14.968 22.963 19.010 1.00 0.00 H < ATOM 240 HA ALA A 24 16.038 25.609 19.316 1.00 0.00 H < ATOM 241 1HB ALA A 24 13.669 26.320 19.329 1.00 0.00 H < ATOM 242 2HB ALA A 24 14.004 25.166 18.016 1.00 0.00 H < ATOM 243 3HB ALA A 24 13.168 24.621 19.489 1.00 0.00 H --- > ATOM 100 1HB ALA A 10 2.961 12.545 7.863 1.00 0.00 H > ATOM 101 2HB ALA A 10 3.109 11.920 6.204 1.00 0.00 H > ATOM 102 3HB ALA A 10 3.042 10.792 7.577 1.00 0.00 H > ATOM 103 N ALA A 11 5.390 10.445 9.301 1.00 0.00 N > ATOM 104 CA ALA A 11 5.845 10.172 10.659 1.00 0.00 C > ATOM 105 C ALA A 11 7.301 10.579 10.844 1.00 0.00 C > ATOM 106 O ALA A 11 7.673 11.137 11.876 1.00 0.00 O > ATOM 107 CB ALA A 11 5.661 8.699 10.994 1.00 0.00 C > ATOM 108 H ALA A 11 5.105 9.674 8.714 1.00 0.00 H > ATOM 109 HA ALA A 11 5.242 10.768 11.345 1.00 0.00 H > ATOM 110 1HB ALA A 11 6.005 8.511 12.011 1.00 0.00 H > ATOM 111 2HB ALA A 11 4.606 8.437 10.914 1.00 0.00 H > ATOM 112 3HB ALA A 11 6.238 8.093 10.298 1.00 0.00 H > ATOM 113 N ALA A 12 8.122 10.296 9.838 1.00 0.00 N > ATOM 114 CA ALA A 12 9.524 10.692 9.859 1.00 0.00 C > ATOM 115 C ALA A 12 9.668 12.208 9.888 1.00 0.00 C > ATOM 116 O ALA A 12 10.516 12.748 10.599 1.00 0.00 O > ATOM 117 CB ALA A 12 10.256 10.114 8.656 1.00 0.00 C > ATOM 118 H ALA A 12 7.764 9.794 9.038 1.00 0.00 H > ATOM 119 HA ALA A 12 9.975 10.296 10.769 1.00 0.00 H > ATOM 120 1HB ALA A 12 11.302 10.419 8.686 1.00 0.00 H > ATOM 121 2HB ALA A 12 10.194 9.026 8.681 1.00 0.00 H > ATOM 122 3HB ALA A 12 9.797 10.483 7.740 1.00 0.00 H > ATOM 123 N ALA A 13 8.835 12.892 9.111 1.00 0.00 N > ATOM 124 CA ALA A 13 8.822 14.350 9.097 1.00 0.00 C > ATOM 125 C ALA A 13 8.422 14.910 10.456 1.00 0.00 C > ATOM 126 O ALA A 13 8.996 15.893 10.926 1.00 0.00 O > ATOM 127 CB ALA A 13 7.880 14.861 8.017 1.00 0.00 C > ATOM 128 H ALA A 13 8.194 12.388 8.515 1.00 0.00 H > ATOM 129 HA ALA A 13 9.832 14.695 8.877 1.00 0.00 H > ATOM 130 1HB ALA A 13 7.881 15.951 8.019 1.00 0.00 H > ATOM 131 2HB ALA A 13 8.212 14.499 7.044 1.00 0.00 H > ATOM 132 3HB ALA A 13 6.872 14.499 8.213 1.00 0.00 H > ATOM 133 N ALA A 14 7.436 14.279 11.084 1.00 0.00 N > ATOM 134 CA ALA A 14 7.003 14.671 12.420 1.00 0.00 C > ATOM 135 C ALA A 14 8.119 14.479 13.439 1.00 0.00 C > ATOM 136 O ALA A 14 8.319 15.315 14.320 1.00 0.00 O > ATOM 137 CB ALA A 14 5.770 13.880 12.831 1.00 0.00 C > ATOM 138 H ALA A 14 6.973 13.508 10.624 1.00 0.00 H > ATOM 139 HA ALA A 14 6.751 15.731 12.397 1.00 0.00 H > ATOM 140 1HB ALA A 14 5.459 14.184 13.831 1.00 0.00 H > ATOM 141 2HB ALA A 14 4.962 14.073 12.125 1.00 0.00 H > ATOM 142 3HB ALA A 14 6.004 12.817 12.832 1.00 0.00 H > ATOM 143 N ALA A 15 8.844 13.373 13.313 1.00 0.00 N > ATOM 144 CA ALA A 15 9.985 13.101 14.180 1.00 0.00 C > ATOM 145 C ALA A 15 11.078 14.146 13.996 1.00 0.00 C > ATOM 146 O ALA A 15 11.691 14.594 14.964 1.00 0.00 O > ATOM 147 CB ALA A 15 10.534 11.708 13.912 1.00 0.00 C > ATOM 148 H ALA A 15 8.599 12.703 12.598 1.00 0.00 H > ATOM 149 HA ALA A 15 9.644 13.154 15.214 1.00 0.00 H > ATOM 150 1HB ALA A 15 11.385 11.520 14.567 1.00 0.00 H > ATOM 151 2HB ALA A 15 9.757 10.967 14.105 1.00 0.00 H > ATOM 152 3HB ALA A 15 10.853 11.636 12.874 1.00 0.00 H > ATOM 153 N ALA A 16 11.317 14.531 12.747 1.00 0.00 N > ATOM 154 CA ALA A 16 12.289 15.572 12.439 1.00 0.00 C > ATOM 155 C ALA A 16 11.876 16.908 13.043 1.00 0.00 C > ATOM 156 O ALA A 16 12.708 17.648 13.567 1.00 0.00 O > ATOM 157 CB ALA A 16 12.465 15.705 10.933 1.00 0.00 C > ATOM 158 H ALA A 16 10.812 14.090 11.991 1.00 0.00 H > ATOM 159 HA ALA A 16 13.244 15.287 12.882 1.00 0.00 H > ATOM 160 1HB ALA A 16 13.194 16.486 10.719 1.00 0.00 H > ATOM 161 2HB ALA A 16 12.817 14.758 10.523 1.00 0.00 H > ATOM 162 3HB ALA A 16 11.511 15.964 10.477 1.00 0.00 H > ATOM 163 N ALA A 17 10.584 17.212 12.966 1.00 0.00 N > ATOM 164 CA ALA A 17 10.046 18.427 13.565 1.00 0.00 C > ATOM 165 C ALA A 17 10.219 18.419 15.079 1.00 0.00 C > ATOM 166 O ALA A 17 10.556 19.438 15.681 1.00 0.00 O > ATOM 167 CB ALA A 17 8.578 18.592 13.201 1.00 0.00 C > ATOM 168 H ALA A 17 9.959 16.584 12.481 1.00 0.00 H > ATOM 169 HA ALA A 17 10.606 19.275 13.170 1.00 0.00 H > ATOM 170 1HB ALA A 17 8.191 19.504 13.656 1.00 0.00 H > ATOM 171 2HB ALA A 17 8.477 18.655 12.118 1.00 0.00 H > ATOM 172 3HB ALA A 17 8.014 17.736 13.569 1.00 0.00 H > ATOM 173 N ALA A 18 9.985 17.262 15.689 1.00 0.00 N > ATOM 174 CA ALA A 18 10.180 17.100 17.125 1.00 0.00 C > ATOM 175 C ALA A 18 11.640 17.301 17.509 1.00 0.00 C > ATOM 176 O ALA A 18 11.944 17.926 18.525 1.00 0.00 O > ATOM 177 CB ALA A 18 9.699 15.728 17.574 1.00 0.00 C > ATOM 178 H ALA A 18 9.664 16.474 15.145 1.00 0.00 H > ATOM 179 HA ALA A 18 9.592 17.864 17.635 1.00 0.00 H > ATOM 180 1HB ALA A 18 9.851 15.622 18.648 1.00 0.00 H > ATOM 181 2HB ALA A 18 8.639 15.621 17.345 1.00 0.00 H > ATOM 182 3HB ALA A 18 10.262 14.957 17.051 1.00 0.00 H > ATOM 183 N ALA A 19 12.541 16.769 16.690 1.00 0.00 N > ATOM 184 CA ALA A 19 13.972 16.946 16.906 1.00 0.00 C > ATOM 185 C ALA A 19 14.366 18.414 16.806 1.00 0.00 C > ATOM 186 O ALA A 19 15.177 18.904 17.591 1.00 0.00 O > ATOM 187 CB ALA A 19 14.765 16.116 15.906 1.00 0.00 C > ATOM 188 H ALA A 19 12.226 16.227 15.898 1.00 0.00 H > ATOM 189 HA ALA A 19 14.207 16.605 17.914 1.00 0.00 H > ATOM 190 1HB ALA A 19 15.831 16.260 16.080 1.00 0.00 H > ATOM 191 2HB ALA A 19 14.515 15.063 16.030 1.00 0.00 H > ATOM 192 3HB ALA A 19 14.517 16.432 14.894 1.00 0.00 H > ATOM 193 N ALA A 20 13.787 19.112 15.834 1.00 0.00 N > ATOM 194 CA ALA A 20 14.025 20.541 15.672 1.00 0.00 C > ATOM 195 C ALA A 20 13.526 21.324 16.880 1.00 0.00 C > ATOM 196 O ALA A 20 14.182 22.259 17.339 1.00 0.00 O > ATOM 197 CB ALA A 20 13.358 21.048 14.401 1.00 0.00 C > ATOM 198 H ALA A 20 13.167 18.641 15.192 1.00 0.00 H > ATOM 199 HA ALA A 20 15.101 20.699 15.592 1.00 0.00 H > ATOM 200 1HB ALA A 20 13.544 22.117 14.294 1.00 0.00 H > ATOM 201 2HB ALA A 20 13.766 20.520 13.540 1.00 0.00 H > ATOM 202 3HB ALA A 20 12.285 20.872 14.459 1.00 0.00 H > ATOM 203 N ALA A 21 12.363 20.935 17.391 1.00 0.00 N > ATOM 204 CA ALA A 21 11.805 21.558 18.586 1.00 0.00 C > ATOM 205 C ALA A 21 12.701 21.329 19.796 1.00 0.00 C > ATOM 206 O ALA A 21 12.882 22.222 20.624 1.00 0.00 O > ATOM 207 CB ALA A 21 10.405 21.026 18.855 1.00 0.00 C > ATOM 208 H ALA A 21 11.853 20.189 16.942 1.00 0.00 H > ATOM 209 HA ALA A 21 11.747 22.633 18.411 1.00 0.00 H > ATOM 210 1HB ALA A 21 10.002 21.501 19.750 1.00 0.00 H > ATOM 211 2HB ALA A 21 9.761 21.249 18.004 1.00 0.00 H > ATOM 212 3HB ALA A 21 10.448 19.949 19.005 1.00 0.00 H > ATOM 213 N ALA A 22 13.258 20.127 19.895 1.00 0.00 N > ATOM 214 CA ALA A 22 14.196 19.803 20.963 1.00 0.00 C > ATOM 215 C ALA A 22 15.472 20.628 20.845 1.00 0.00 C > ATOM 216 O ALA A 22 16.026 21.077 21.848 1.00 0.00 O > ATOM 217 CB ALA A 22 14.524 18.317 20.947 1.00 0.00 C > ATOM 218 H ALA A 22 13.027 19.420 19.212 1.00 0.00 H > ATOM 219 HA ALA A 22 13.725 20.050 21.914 1.00 0.00 H > ATOM 220 1HB ALA A 22 15.226 18.090 21.750 1.00 0.00 H > ATOM 221 2HB ALA A 22 13.610 17.741 21.090 1.00 0.00 H > ATOM 222 3HB ALA A 22 14.972 18.054 19.990 1.00 0.00 H > ATOM 223 N ALA A 23 15.932 20.824 19.614 1.00 0.00 N > ATOM 224 CA ALA A 23 17.114 21.639 19.359 1.00 0.00 C > ATOM 225 C ALA A 23 16.863 23.099 19.714 1.00 0.00 C > ATOM 226 O ALA A 23 17.749 23.784 20.226 1.00 0.00 O > ATOM 227 CB ALA A 23 17.540 21.514 17.904 1.00 0.00 C > ATOM 228 H ALA A 23 15.451 20.398 18.835 1.00 0.00 H > ATOM 229 HA ALA A 23 17.920 21.274 19.996 1.00 0.00 H > ATOM 230 1HB ALA A 23 18.423 22.128 17.729 1.00 0.00 H > ATOM 231 2HB ALA A 23 17.772 20.473 17.681 1.00 0.00 H > ATOM 232 3HB ALA A 23 16.730 21.852 17.258 1.00 0.00 H > ATOM 233 N ALA A 24 15.652 23.570 19.439 1.00 0.00 N > ATOM 234 CA ALA A 24 15.279 24.948 19.738 1.00 0.00 C > ATOM 235 C ALA A 24 15.227 25.191 21.241 1.00 0.00 C > ATOM 236 O ALA A 24 14.934 24.282 22.017 1.00 0.00 O > ATOM 237 OXT ALA A 24 15.473 26.280 21.681 1.00 0.00 O > ATOM 238 CB ALA A 24 13.939 25.284 19.101 1.00 0.00 C > ATOM 239 H ALA A 24 14.971 22.958 19.013 1.00 0.00 H > ATOM 240 HA ALA A 24 16.043 25.603 19.320 1.00 0.00 H > ATOM 241 1HB ALA A 24 13.674 26.316 19.333 1.00 0.00 H > ATOM 242 2HB ALA A 24 14.009 25.161 18.020 1.00 0.00 H > ATOM 243 3HB ALA A 24 13.173 24.617 19.493 1.00 0.00 H 526,550c526,550 < pose -79.2424 5.58287 45.6072 0.02268 -2.55451 0 -16.8551 0 0 0 0 -4.91455 1.31513 0 -4.90348 0 18.5698 -37.3724 < ALA:NtermProteinFull_1 -1.77966 0.17544 1.3864 0.00106 0.46312 0 0 0 0 0 0 0 0.06946 0 0 0 0.77374 1.08956 < ALA_2 -2.07683 0.19637 1.27206 0.00094 0.3423 0 0 0 0 0 0 -0.2666 0.00542 0 -0.24322 0 0.77374 0.00419 < ALA_3 -2.56415 0.26108 1.57471 0.00093 0.11039 0 0 0 0 0 0 -0.22144 0.04178 0 -0.23062 0 0.77374 -0.25359 < ALA_4 -3.2321 0.2496 1.90047 0.00092 0.00854 0 0 0 0 0 0 -0.22279 0.07786 0 -0.20017 0 0.77374 -0.64393 < ALA_5 -3.61972 0.22855 1.97983 0.00093 -0.20611 0 0 0 0 0 0 -0.22236 0.0689 0 -0.22801 0 0.77374 -1.22425 < ALA_6 -3.68674 0.25521 2.04814 0.00092 -0.31647 0 0 0 0 0 0 -0.21215 0.0665 0 -0.21874 0 0.77374 -1.28958 < ALA_7 -3.68863 0.24111 2.03896 0.00093 -0.27564 0 0 0 0 0 0 -0.2189 0.06158 0 -0.22707 0 0.77374 -1.29392 < ALA_8 -3.69889 0.25336 2.05218 0.00093 -0.30142 0 0 0 0 0 0 -0.21456 0.06354 0 -0.22274 0 0.77374 -1.29386 < ALA_9 -3.69166 0.24677 2.04822 0.00093 -0.2917 0 0 0 0 0 0 -0.218 0.06204 0 -0.22532 0 0.77374 -1.29497 < ALA_10 -3.69503 0.25071 2.05015 0.00093 -0.29777 0 0 0 0 0 0 -0.21604 0.06272 0 -0.22381 0 0.77374 -1.29441 < ALA_11 -3.6922 0.24842 2.0488 0.00093 -0.29503 0 0 0 0 0 0 -0.21716 0.06244 0 -0.22453 0 0.77374 -1.29459 < ALA_12 -3.69269 0.24927 2.04855 0.00093 -0.29585 0 0 0 0 0 0 -0.21645 0.06271 0 -0.22415 0 0.77374 -1.29395 < ALA_13 -3.69306 0.24891 2.04928 0.00093 -0.29608 0 0 0 0 0 0 -0.21686 0.0628 0 -0.22424 0 0.77374 -1.29458 < ALA_14 -3.69295 0.24883 2.04865 0.00093 -0.29559 0 0 0 0 0 0 -0.217 0.06243 0 -0.22451 0 0.77374 -1.29547 < ALA_15 -3.69283 0.24932 2.04914 0.00093 -0.29636 0 0 0 0 0 0 -0.21623 0.06258 0 -0.22397 0 0.77374 -1.29369 < ALA_16 -3.69221 0.24871 2.04789 0.00093 -0.2947 0 0 0 0 0 0 -0.2172 0.06287 0 -0.22435 0 0.77374 -1.29432 < ALA_17 -3.69227 0.24869 2.04924 0.00093 -0.29591 0 0 0 0 0 0 -0.21629 0.06333 0 -0.22431 0 0.77374 -1.29286 < ALA_18 -3.69558 0.24966 2.05029 0.00093 -0.28799 0 0 0 0 0 0 -0.21574 0.06198 0 -0.22388 0 0.77374 -1.28659 < ALA_19 -3.69971 0.25095 2.0563 0.00093 -0.2921 0 0 0 0 0 0 -0.21543 0.06303 0 -0.22502 0 0.77374 -1.28731 < ALA_20 -3.72002 0.25697 2.07541 0.00093 -0.24033 0 0 0 0 0 0 -0.21657 0.05359 0 -0.22396 0 0.77374 -1.24025 < ALA_21 -3.37465 0.22667 1.9254 0.00093 0.14675 0 0 0 0 0 0 -0.2405 0.07978 0 -0.22919 0 0.77374 -0.69106 < ALA_22 -2.7215 0.23449 1.66801 0.00093 0.09799 0 0 0 0 0 0 -0.23719 0.03662 0 -0.21212 0 0.77374 -0.35903 < ALA_23 -2.21011 0.1434 1.41868 0.00093 0.31054 0 0 0 0 0 0 -0.25907 0.00117 0 -0.19956 0 0.77374 -0.02027 < ALA:CtermProteinFull_24 -2.23922 0.1204 1.72039 0.00121 0.54492 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.92144 --- > pose -79.2426 5.58304 45.6073 0.02268 -2.55455 0 -16.855 0 0 0 0 -4.91465 1.31503 0 -4.90349 0 18.5698 -37.3724 > ALA:NtermProteinFull_1 -1.78 0.17556 1.38673 0.00106 0.46298 0 0 0 0 0 0 0 0.06945 0 0 0 0.77374 1.08951 > ALA_2 -2.07689 0.19636 1.27202 0.00094 0.34218 0 0 0 0 0 0 -0.26661 0.00545 0 -0.24324 0 0.77374 0.00395 > ALA_3 -2.56415 0.26108 1.57475 0.00093 0.11042 0 0 0 0 0 0 -0.22143 0.04179 0 -0.2306 0 0.77374 -0.25348 > ALA_4 -3.23235 0.24963 1.90076 0.00092 0.00853 0 0 0 0 0 0 -0.22273 0.07781 0 -0.20012 0 0.77374 -0.64382 > ALA_5 -3.62002 0.22852 1.97999 0.00093 -0.20623 0 0 0 0 0 0 -0.22237 0.06895 0 -0.22803 0 0.77374 -1.22452 > ALA_6 -3.6869 0.25521 2.04825 0.00092 -0.31656 0 0 0 0 0 0 -0.21214 0.06665 0 -0.21874 0 0.77374 -1.28956 > ALA_7 -3.68878 0.24106 2.03905 0.00093 -0.27567 0 0 0 0 0 0 -0.21891 0.06166 0 -0.22707 0 0.77374 -1.29398 > ALA_8 -3.69915 0.25336 2.05232 0.00093 -0.30144 0 0 0 0 0 0 -0.21454 0.06349 0 -0.22273 0 0.77374 -1.29403 > ALA_9 -3.69157 0.24673 2.04811 0.00093 -0.29158 0 0 0 0 0 0 -0.21795 0.06209 0 -0.22528 0 0.77374 -1.29478 > ALA_10 -3.6946 0.25061 2.04983 0.00093 -0.29763 0 0 0 0 0 0 -0.21606 0.06269 0 -0.2238 0 0.77374 -1.29428 > ALA_11 -3.6922 0.24848 2.0489 0.00093 -0.29522 0 0 0 0 0 0 -0.21721 0.06224 0 -0.22455 0 0.77374 -1.29488 > ALA_12 -3.69315 0.24943 2.04894 0.00093 -0.29611 0 0 0 0 0 0 -0.21651 0.06255 0 -0.22419 0 0.77374 -1.29438 > ALA_13 -3.69277 0.24883 2.04905 0.00093 -0.29585 0 0 0 0 0 0 -0.21685 0.06302 0 -0.22426 0 0.77374 -1.29416 > ALA_14 -3.69246 0.24872 2.04827 0.00093 -0.29529 0 0 0 0 0 0 -0.21691 0.06247 0 -0.22444 0 0.77374 -1.29497 > ALA_15 -3.69294 0.24925 2.04916 0.00093 -0.29638 0 0 0 0 0 0 -0.21625 0.06256 0 -0.22395 0 0.77374 -1.29389 > ALA_16 -3.69229 0.24868 2.04798 0.00093 -0.29491 0 0 0 0 0 0 -0.21724 0.06275 0 -0.22439 0 0.77374 -1.29474 > ALA_17 -3.69215 0.24875 2.0492 0.00093 -0.2958 0 0 0 0 0 0 -0.21625 0.06324 0 -0.22427 0 0.77374 -1.29262 > ALA_18 -3.69534 0.24965 2.05014 0.00093 -0.28789 0 0 0 0 0 0 -0.21577 0.06199 0 -0.22389 0 0.77374 -1.28644 > ALA_19 -3.69973 0.25103 2.05632 0.00093 -0.29212 0 0 0 0 0 0 -0.21547 0.06301 0 -0.22505 0 0.77374 -1.28735 > ALA_20 -3.71987 0.257 2.07528 0.00093 -0.24021 0 0 0 0 0 0 -0.2166 0.0537 0 -0.22399 0 0.77374 -1.24002 > ALA_21 -3.37448 0.2267 1.92528 0.00093 0.14675 0 0 0 0 0 0 -0.24051 0.0797 0 -0.2292 0 0.77374 -0.69109 > ALA_22 -2.72161 0.23457 1.66806 0.00093 0.09806 0 0 0 0 0 0 -0.23719 0.03659 0 -0.2121 0 0.77374 -0.35895 > ALA_23 -2.21004 0.1434 1.41864 0.00093 0.31048 0 0 0 0 0 0 -0.25913 0.00118 0 -0.19959 0 0.77374 -0.02038 > ALA:CtermProteinFull_24 -2.23916 0.12042 1.72032 0.00121 0.54496 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.9215 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0012.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0012.pdb 23,26c23,26 < ATOM 14 CA ALA A 2 2.498 3.413 -1.311 1.00 0.00 C < ATOM 15 C ALA A 2 1.848 4.414 -0.364 1.00 0.00 C < ATOM 16 O ALA A 2 2.484 5.374 0.071 1.00 0.00 O < ATOM 17 CB ALA A 2 2.356 3.879 -2.752 1.00 0.00 C --- > ATOM 14 CA ALA A 2 2.497 3.413 -1.310 1.00 0.00 C > ATOM 15 C ALA A 2 1.847 4.413 -0.363 1.00 0.00 C > ATOM 16 O ALA A 2 2.482 5.373 0.073 1.00 0.00 O > ATOM 17 CB ALA A 2 2.354 3.880 -2.752 1.00 0.00 C 28,252c28,252 < ATOM 19 HA ALA A 2 3.557 3.356 -1.061 1.00 0.00 H < ATOM 20 1HB ALA A 2 2.791 4.873 -2.858 1.00 0.00 H < ATOM 21 2HB ALA A 2 2.876 3.184 -3.412 1.00 0.00 H < ATOM 22 3HB ALA A 2 1.302 3.914 -3.021 1.00 0.00 H < ATOM 23 N ALA A 3 0.578 4.184 -0.049 1.00 0.00 N < ATOM 24 CA ALA A 3 -0.172 5.087 0.815 1.00 0.00 C < ATOM 25 C ALA A 3 0.472 5.196 2.191 1.00 0.00 C < ATOM 26 O ALA A 3 0.335 6.212 2.873 1.00 0.00 O < ATOM 27 CB ALA A 3 -1.616 4.622 0.942 1.00 0.00 C < ATOM 28 H ALA A 3 0.121 3.361 -0.416 1.00 0.00 H < ATOM 29 HA ALA A 3 -0.160 6.078 0.361 1.00 0.00 H < ATOM 30 1HB ALA A 3 -2.163 5.306 1.590 1.00 0.00 H < ATOM 31 2HB ALA A 3 -2.081 4.605 -0.044 1.00 0.00 H < ATOM 32 3HB ALA A 3 -1.638 3.621 1.371 1.00 0.00 H < ATOM 33 N ALA A 4 1.176 4.143 2.594 1.00 0.00 N < ATOM 34 CA ALA A 4 1.797 4.097 3.912 1.00 0.00 C < ATOM 35 C ALA A 4 2.859 5.179 4.059 1.00 0.00 C < ATOM 36 O ALA A 4 3.167 5.613 5.169 1.00 0.00 O < ATOM 37 CB ALA A 4 2.403 2.724 4.164 1.00 0.00 C < ATOM 38 H ALA A 4 1.283 3.355 1.972 1.00 0.00 H < ATOM 39 HA ALA A 4 1.024 4.283 4.658 1.00 0.00 H < ATOM 40 1HB ALA A 4 2.863 2.704 5.152 1.00 0.00 H < ATOM 41 2HB ALA A 4 1.621 1.966 4.113 1.00 0.00 H < ATOM 42 3HB ALA A 4 3.159 2.516 3.408 1.00 0.00 H < ATOM 43 N ALA A 5 3.416 5.611 2.933 1.00 0.00 N < ATOM 44 CA ALA A 5 4.467 6.622 2.937 1.00 0.00 C < ATOM 45 C ALA A 5 3.955 7.946 3.488 1.00 0.00 C < ATOM 46 O ALA A 5 4.729 8.761 3.990 1.00 0.00 O < ATOM 47 CB ALA A 5 5.023 6.813 1.533 1.00 0.00 C < ATOM 48 H ALA A 5 3.103 5.230 2.052 1.00 0.00 H < ATOM 49 HA ALA A 5 5.268 6.275 3.590 1.00 0.00 H < ATOM 50 1HB ALA A 5 5.807 7.570 1.552 1.00 0.00 H < ATOM 51 2HB ALA A 5 5.438 5.870 1.175 1.00 0.00 H < ATOM 52 3HB ALA A 5 4.225 7.134 0.866 1.00 0.00 H < ATOM 53 N ALA A 6 2.647 8.156 3.391 1.00 0.00 N < ATOM 54 CA ALA A 6 2.032 9.393 3.856 1.00 0.00 C < ATOM 55 C ALA A 6 2.204 9.562 5.360 1.00 0.00 C < ATOM 56 O ALA A 6 2.178 10.679 5.876 1.00 0.00 O < ATOM 57 CB ALA A 6 0.557 9.424 3.486 1.00 0.00 C < ATOM 58 H ALA A 6 2.062 7.439 2.984 1.00 0.00 H < ATOM 59 HA ALA A 6 2.537 10.227 3.367 1.00 0.00 H < ATOM 60 1HB ALA A 6 0.112 10.354 3.840 1.00 0.00 H < ATOM 61 2HB ALA A 6 0.452 9.362 2.402 1.00 0.00 H < ATOM 62 3HB ALA A 6 0.048 8.580 3.948 1.00 0.00 H < ATOM 63 N ALA A 7 2.379 8.446 6.059 1.00 0.00 N < ATOM 64 CA ALA A 7 2.530 8.466 7.509 1.00 0.00 C < ATOM 65 C ALA A 7 3.786 9.222 7.922 1.00 0.00 C < ATOM 66 O ALA A 7 3.873 9.739 9.036 1.00 0.00 O < ATOM 67 CB ALA A 7 2.563 7.047 8.058 1.00 0.00 C < ATOM 68 H ALA A 7 2.408 7.561 5.574 1.00 0.00 H < ATOM 69 HA ALA A 7 1.672 8.988 7.932 1.00 0.00 H < ATOM 70 1HB ALA A 7 2.677 7.078 9.142 1.00 0.00 H < ATOM 71 2HB ALA A 7 1.634 6.537 7.805 1.00 0.00 H < ATOM 72 3HB ALA A 7 3.403 6.508 7.622 1.00 0.00 H < ATOM 73 N ALA A 8 4.758 9.284 7.018 1.00 0.00 N < ATOM 74 CA ALA A 8 6.021 9.956 7.295 1.00 0.00 C < ATOM 75 C ALA A 8 5.811 11.444 7.543 1.00 0.00 C < ATOM 76 O ALA A 8 6.616 12.092 8.213 1.00 0.00 O < ATOM 77 CB ALA A 8 6.998 9.744 6.148 1.00 0.00 C < ATOM 78 H ALA A 8 4.617 8.854 6.115 1.00 0.00 H < ATOM 79 HA ALA A 8 6.443 9.523 8.202 1.00 0.00 H < ATOM 80 1HB ALA A 8 7.936 10.251 6.370 1.00 0.00 H < ATOM 81 2HB ALA A 8 7.183 8.677 6.020 1.00 0.00 H < ATOM 82 3HB ALA A 8 6.574 10.150 5.230 1.00 0.00 H < ATOM 83 N ALA A 9 4.725 11.982 6.999 1.00 0.00 N < ATOM 84 CA ALA A 9 4.420 13.401 7.138 1.00 0.00 C < ATOM 85 C ALA A 9 4.184 13.773 8.596 1.00 0.00 C < ATOM 86 O ALA A 9 4.359 14.927 8.988 1.00 0.00 O < ATOM 87 CB ALA A 9 3.207 13.767 6.295 1.00 0.00 C < ATOM 88 H ALA A 9 4.093 11.392 6.475 1.00 0.00 H < ATOM 89 HA ALA A 9 5.280 13.968 6.783 1.00 0.00 H < ATOM 90 1HB ALA A 9 2.992 14.830 6.409 1.00 0.00 H < ATOM 91 2HB ALA A 9 3.412 13.549 5.247 1.00 0.00 H < ATOM 92 3HB ALA A 9 2.347 13.186 6.624 1.00 0.00 H < ATOM 93 N ALA A 10 3.785 12.790 9.395 1.00 0.00 N < ATOM 94 CA ALA A 10 3.500 13.018 10.807 1.00 0.00 C < ATOM 95 C ALA A 10 4.749 13.463 11.556 1.00 0.00 C < ATOM 96 O ALA A 10 4.661 14.121 12.593 1.00 0.00 O < ATOM 97 CB ALA A 10 2.922 11.760 11.440 1.00 0.00 C < ATOM 98 H ALA A 10 3.677 11.860 9.015 1.00 0.00 H < ATOM 99 HA ALA A 10 2.764 13.819 10.878 1.00 0.00 H < ATOM 100 1HB ALA A 10 2.715 11.946 12.494 1.00 0.00 H < ATOM 101 2HB ALA A 10 1.998 11.487 10.931 1.00 0.00 H < ATOM 102 3HB ALA A 10 3.640 10.946 11.351 1.00 0.00 H < ATOM 103 N ALA A 11 5.912 13.099 11.026 1.00 0.00 N < ATOM 104 CA ALA A 11 7.181 13.439 11.658 1.00 0.00 C < ATOM 105 C ALA A 11 7.386 14.947 11.708 1.00 0.00 C < ATOM 106 O ALA A 11 8.117 15.457 12.557 1.00 0.00 O < ATOM 107 CB ALA A 11 8.334 12.773 10.922 1.00 0.00 C < ATOM 108 H ALA A 11 5.916 12.575 10.163 1.00 0.00 H < ATOM 109 HA ALA A 11 7.158 13.071 12.684 1.00 0.00 H < ATOM 110 1HB ALA A 11 9.275 13.035 11.406 1.00 0.00 H < ATOM 111 2HB ALA A 11 8.204 11.691 10.945 1.00 0.00 H < ATOM 112 3HB ALA A 11 8.351 13.114 9.888 1.00 0.00 H < ATOM 113 N ALA A 12 6.735 15.658 10.793 1.00 0.00 N < ATOM 114 CA ALA A 12 6.865 17.108 10.715 1.00 0.00 C < ATOM 115 C ALA A 12 6.338 17.777 11.978 1.00 0.00 C < ATOM 116 O ALA A 12 6.742 18.889 12.318 1.00 0.00 O < ATOM 117 CB ALA A 12 6.134 17.640 9.490 1.00 0.00 C < ATOM 118 H ALA A 12 6.135 15.182 10.135 1.00 0.00 H < ATOM 119 HA ALA A 12 7.924 17.349 10.626 1.00 0.00 H < ATOM 120 1HB ALA A 12 6.240 18.724 9.446 1.00 0.00 H < ATOM 121 2HB ALA A 12 6.561 17.196 8.591 1.00 0.00 H < ATOM 122 3HB ALA A 12 5.079 17.382 9.556 1.00 0.00 H < ATOM 123 N ALA A 13 5.433 17.094 12.670 1.00 0.00 N < ATOM 124 CA ALA A 13 4.830 17.632 13.883 1.00 0.00 C < ATOM 125 C ALA A 13 5.875 17.843 14.971 1.00 0.00 C < ATOM 126 O ALA A 13 5.696 18.669 15.866 1.00 0.00 O < ATOM 127 CB ALA A 13 3.727 16.709 14.381 1.00 0.00 C < ATOM 128 H ALA A 13 5.156 16.178 12.347 1.00 0.00 H < ATOM 129 HA ALA A 13 4.396 18.603 13.644 1.00 0.00 H < ATOM 130 1HB ALA A 13 3.286 17.125 15.287 1.00 0.00 H < ATOM 131 2HB ALA A 13 2.958 16.615 13.614 1.00 0.00 H < ATOM 132 3HB ALA A 13 4.145 15.728 14.598 1.00 0.00 H < ATOM 133 N ALA A 14 6.967 17.090 14.890 1.00 0.00 N < ATOM 134 CA ALA A 14 8.032 17.174 15.882 1.00 0.00 C < ATOM 135 C ALA A 14 8.675 18.555 15.883 1.00 0.00 C < ATOM 136 O ALA A 14 9.244 18.985 16.886 1.00 0.00 O < ATOM 137 CB ALA A 14 9.081 16.102 15.626 1.00 0.00 C < ATOM 138 H ALA A 14 7.061 16.442 14.120 1.00 0.00 H < ATOM 139 HA ALA A 14 7.592 17.010 16.866 1.00 0.00 H < ATOM 140 1HB ALA A 14 9.869 16.178 16.375 1.00 0.00 H < ATOM 141 2HB ALA A 14 8.617 15.118 15.686 1.00 0.00 H < ATOM 142 3HB ALA A 14 9.508 16.241 14.634 1.00 0.00 H < ATOM 143 N ALA A 15 8.582 19.247 14.752 1.00 0.00 N < ATOM 144 CA ALA A 15 9.177 20.570 14.612 1.00 0.00 C < ATOM 145 C ALA A 15 8.538 21.566 15.572 1.00 0.00 C < ATOM 146 O ALA A 15 9.152 22.567 15.943 1.00 0.00 O < ATOM 147 CB ALA A 15 9.047 21.061 13.178 1.00 0.00 C < ATOM 148 H ALA A 15 8.085 18.845 13.969 1.00 0.00 H < ATOM 149 HA ALA A 15 10.235 20.494 14.865 1.00 0.00 H < ATOM 150 1HB ALA A 15 9.496 22.050 13.089 1.00 0.00 H < ATOM 151 2HB ALA A 15 9.559 20.369 12.509 1.00 0.00 H < ATOM 152 3HB ALA A 15 7.994 21.115 12.906 1.00 0.00 H < ATOM 153 N ALA A 16 7.302 21.285 15.971 1.00 0.00 N < ATOM 154 CA ALA A 16 6.568 22.169 16.869 1.00 0.00 C < ATOM 155 C ALA A 16 7.256 22.272 18.225 1.00 0.00 C < ATOM 156 O ALA A 16 7.089 23.258 18.942 1.00 0.00 O < ATOM 157 CB ALA A 16 5.136 21.682 17.038 1.00 0.00 C < ATOM 158 H ALA A 16 6.860 20.438 15.645 1.00 0.00 H < ATOM 159 HA ALA A 16 6.553 23.165 16.426 1.00 0.00 H < ATOM 160 1HB ALA A 16 4.601 22.352 17.711 1.00 0.00 H < ATOM 161 2HB ALA A 16 4.640 21.670 16.068 1.00 0.00 H < ATOM 162 3HB ALA A 16 5.141 20.677 17.456 1.00 0.00 H < ATOM 163 N ALA A 17 8.029 21.248 18.570 1.00 0.00 N < ATOM 164 CA ALA A 17 8.723 21.210 19.851 1.00 0.00 C < ATOM 165 C ALA A 17 9.737 22.341 19.963 1.00 0.00 C < ATOM 166 O ALA A 17 10.088 22.766 21.063 1.00 0.00 O < ATOM 167 CB ALA A 17 9.408 19.865 20.043 1.00 0.00 C < ATOM 168 H ALA A 17 8.138 20.476 17.928 1.00 0.00 H < ATOM 169 HA ALA A 17 7.983 21.345 20.641 1.00 0.00 H < ATOM 170 1HB ALA A 17 9.922 19.852 21.004 1.00 0.00 H < ATOM 171 2HB ALA A 17 8.662 19.070 20.019 1.00 0.00 H < ATOM 172 3HB ALA A 17 10.130 19.708 19.244 1.00 0.00 H < ATOM 173 N ALA A 18 10.204 22.825 18.817 1.00 0.00 N < ATOM 174 CA ALA A 18 11.198 23.891 18.784 1.00 0.00 C < ATOM 175 C ALA A 18 10.650 25.174 19.397 1.00 0.00 C < ATOM 176 O ALA A 18 11.409 26.018 19.873 1.00 0.00 O < ATOM 177 CB ALA A 18 11.658 24.142 17.355 1.00 0.00 C < ATOM 178 H ALA A 18 9.861 22.445 17.946 1.00 0.00 H < ATOM 179 HA ALA A 18 12.053 23.575 19.380 1.00 0.00 H < ATOM 180 1HB ALA A 18 12.400 24.941 17.347 1.00 0.00 H < ATOM 181 2HB ALA A 18 12.101 23.232 16.951 1.00 0.00 H < ATOM 182 3HB ALA A 18 10.806 24.434 16.744 1.00 0.00 H < ATOM 183 N ALA A 19 9.329 25.314 19.381 1.00 0.00 N < ATOM 184 CA ALA A 19 8.679 26.507 19.912 1.00 0.00 C < ATOM 185 C ALA A 19 8.931 26.652 21.407 1.00 0.00 C < ATOM 186 O ALA A 19 8.878 27.755 21.951 1.00 0.00 O < ATOM 187 CB ALA A 19 7.185 26.466 19.629 1.00 0.00 C < ATOM 188 H ALA A 19 8.761 24.576 18.991 1.00 0.00 H < ATOM 189 HA ALA A 19 9.109 27.376 19.414 1.00 0.00 H < ATOM 190 1HB ALA A 19 6.713 27.362 20.031 1.00 0.00 H < ATOM 191 2HB ALA A 19 7.019 26.420 18.552 1.00 0.00 H < ATOM 192 3HB ALA A 19 6.750 25.585 20.100 1.00 0.00 H < ATOM 193 N ALA A 20 9.207 25.533 22.067 1.00 0.00 N < ATOM 194 CA ALA A 20 9.445 25.530 23.505 1.00 0.00 C < ATOM 195 C ALA A 20 10.678 26.351 23.861 1.00 0.00 C < ATOM 196 O ALA A 20 10.799 26.855 24.977 1.00 0.00 O < ATOM 197 CB ALA A 20 9.594 24.104 24.015 1.00 0.00 C < ATOM 198 H ALA A 20 9.252 24.661 21.559 1.00 0.00 H < ATOM 199 HA ALA A 20 8.585 25.991 23.992 1.00 0.00 H < ATOM 200 1HB ALA A 20 9.772 24.119 25.091 1.00 0.00 H < ATOM 201 2HB ALA A 20 8.682 23.546 23.806 1.00 0.00 H < ATOM 202 3HB ALA A 20 10.435 23.626 23.516 1.00 0.00 H < ATOM 203 N ALA A 21 11.591 26.482 22.905 1.00 0.00 N < ATOM 204 CA ALA A 21 12.827 27.225 23.122 1.00 0.00 C < ATOM 205 C ALA A 21 12.543 28.695 23.407 1.00 0.00 C < ATOM 206 O ALA A 21 13.337 29.375 24.058 1.00 0.00 O < ATOM 207 CB ALA A 21 13.746 27.088 21.917 1.00 0.00 C < ATOM 208 H ALA A 21 11.425 26.057 22.004 1.00 0.00 H < ATOM 209 HA ALA A 21 13.325 26.805 23.996 1.00 0.00 H < ATOM 210 1HB ALA A 21 14.664 27.649 22.094 1.00 0.00 H < ATOM 211 2HB ALA A 21 13.987 26.037 21.761 1.00 0.00 H < ATOM 212 3HB ALA A 21 13.247 27.481 21.032 1.00 0.00 H < ATOM 213 N ALA A 22 11.407 29.179 22.917 1.00 0.00 N < ATOM 214 CA ALA A 22 11.031 30.576 23.093 1.00 0.00 C < ATOM 215 C ALA A 22 10.698 30.877 24.549 1.00 0.00 C < ATOM 216 O ALA A 22 10.705 32.033 24.972 1.00 0.00 O < ATOM 217 CB ALA A 22 9.851 30.924 22.198 1.00 0.00 C < ATOM 218 H ALA A 22 10.789 28.563 22.408 1.00 0.00 H < ATOM 219 HA ALA A 22 11.883 31.195 22.811 1.00 0.00 H < ATOM 220 1HB ALA A 22 9.581 31.971 22.341 1.00 0.00 H < ATOM 221 2HB ALA A 22 10.124 30.759 21.156 1.00 0.00 H < ATOM 222 3HB ALA A 22 9.001 30.293 22.454 1.00 0.00 H < ATOM 223 N ALA A 23 10.405 29.830 25.312 1.00 0.00 N < ATOM 224 CA ALA A 23 10.063 29.980 26.721 1.00 0.00 C < ATOM 225 C ALA A 23 11.298 29.860 27.604 1.00 0.00 C < ATOM 226 O ALA A 23 11.210 29.961 28.828 1.00 0.00 O < ATOM 227 CB ALA A 23 9.020 28.948 27.127 1.00 0.00 C < ATOM 228 H ALA A 23 10.420 28.905 24.906 1.00 0.00 H < ATOM 229 HA ALA A 23 9.646 30.978 26.864 1.00 0.00 H < ATOM 230 1HB ALA A 23 8.775 29.074 28.181 1.00 0.00 H < ATOM 231 2HB ALA A 23 8.121 29.085 26.526 1.00 0.00 H < ATOM 232 3HB ALA A 23 9.417 27.948 26.963 1.00 0.00 H < ATOM 233 N ALA A 24 12.449 29.644 26.977 1.00 0.00 N < ATOM 234 CA ALA A 24 13.700 29.475 27.707 1.00 0.00 C < ATOM 235 C ALA A 24 14.573 30.718 27.599 1.00 0.00 C < ATOM 236 O ALA A 24 14.522 31.440 26.603 1.00 0.00 O < ATOM 237 OXT ALA A 24 15.321 31.005 28.492 1.00 0.00 O < ATOM 238 CB ALA A 24 14.451 28.255 27.194 1.00 0.00 C < ATOM 239 H ALA A 24 12.457 29.595 25.968 1.00 0.00 H < ATOM 240 HA ALA A 24 13.460 29.325 28.759 1.00 0.00 H < ATOM 241 1HB ALA A 24 15.383 28.142 27.749 1.00 0.00 H < ATOM 242 2HB ALA A 24 13.837 27.365 27.331 1.00 0.00 H < ATOM 243 3HB ALA A 24 14.673 28.383 26.136 1.00 0.00 H --- > ATOM 19 HA ALA A 2 3.556 3.357 -1.061 1.00 0.00 H > ATOM 20 1HB ALA A 2 2.788 4.874 -2.857 1.00 0.00 H > ATOM 21 2HB ALA A 2 2.873 3.186 -3.412 1.00 0.00 H > ATOM 22 3HB ALA A 2 1.299 3.914 -3.020 1.00 0.00 H > ATOM 23 N ALA A 3 0.577 4.183 -0.048 1.00 0.00 N > ATOM 24 CA ALA A 3 -0.174 5.086 0.816 1.00 0.00 C > ATOM 25 C ALA A 3 0.469 5.194 2.193 1.00 0.00 C > ATOM 26 O ALA A 3 0.332 6.209 2.875 1.00 0.00 O > ATOM 27 CB ALA A 3 -1.617 4.621 0.942 1.00 0.00 C > ATOM 28 H ALA A 3 0.120 3.361 -0.416 1.00 0.00 H > ATOM 29 HA ALA A 3 -0.161 6.077 0.363 1.00 0.00 H > ATOM 30 1HB ALA A 3 -2.165 5.305 1.590 1.00 0.00 H > ATOM 31 2HB ALA A 3 -2.082 4.605 -0.044 1.00 0.00 H > ATOM 32 3HB ALA A 3 -1.641 3.620 1.370 1.00 0.00 H > ATOM 33 N ALA A 4 1.173 4.141 2.595 1.00 0.00 N > ATOM 34 CA ALA A 4 1.795 4.093 3.913 1.00 0.00 C > ATOM 35 C ALA A 4 2.856 5.176 4.061 1.00 0.00 C > ATOM 36 O ALA A 4 3.162 5.610 5.172 1.00 0.00 O > ATOM 37 CB ALA A 4 2.402 2.720 4.163 1.00 0.00 C > ATOM 38 H ALA A 4 1.280 3.353 1.972 1.00 0.00 H > ATOM 39 HA ALA A 4 1.022 4.279 4.659 1.00 0.00 H > ATOM 40 1HB ALA A 4 2.862 2.700 5.151 1.00 0.00 H > ATOM 41 2HB ALA A 4 1.620 1.962 4.112 1.00 0.00 H > ATOM 42 3HB ALA A 4 3.157 2.514 3.407 1.00 0.00 H > ATOM 43 N ALA A 5 3.413 5.609 2.936 1.00 0.00 N > ATOM 44 CA ALA A 5 4.463 6.621 2.941 1.00 0.00 C > ATOM 45 C ALA A 5 3.950 7.944 3.493 1.00 0.00 C > ATOM 46 O ALA A 5 4.724 8.759 3.996 1.00 0.00 O > ATOM 47 CB ALA A 5 5.020 6.813 1.538 1.00 0.00 C > ATOM 48 H ALA A 5 3.101 5.228 2.054 1.00 0.00 H > ATOM 49 HA ALA A 5 5.264 6.274 3.594 1.00 0.00 H > ATOM 50 1HB ALA A 5 5.803 7.571 1.558 1.00 0.00 H > ATOM 51 2HB ALA A 5 5.436 5.871 1.179 1.00 0.00 H > ATOM 52 3HB ALA A 5 4.222 7.134 0.871 1.00 0.00 H > ATOM 53 N ALA A 6 2.642 8.153 3.395 1.00 0.00 N > ATOM 54 CA ALA A 6 2.027 9.390 3.861 1.00 0.00 C > ATOM 55 C ALA A 6 2.198 9.558 5.366 1.00 0.00 C > ATOM 56 O ALA A 6 2.172 10.675 5.882 1.00 0.00 O > ATOM 57 CB ALA A 6 0.551 9.420 3.490 1.00 0.00 C > ATOM 58 H ALA A 6 2.058 7.436 2.988 1.00 0.00 H > ATOM 59 HA ALA A 6 2.531 10.224 3.373 1.00 0.00 H > ATOM 60 1HB ALA A 6 0.106 10.350 3.845 1.00 0.00 H > ATOM 61 2HB ALA A 6 0.447 9.358 2.407 1.00 0.00 H > ATOM 62 3HB ALA A 6 0.043 8.576 3.953 1.00 0.00 H > ATOM 63 N ALA A 7 2.373 8.441 6.064 1.00 0.00 N > ATOM 64 CA ALA A 7 2.524 8.461 7.514 1.00 0.00 C > ATOM 65 C ALA A 7 3.780 9.218 7.928 1.00 0.00 C > ATOM 66 O ALA A 7 3.866 9.734 9.042 1.00 0.00 O > ATOM 67 CB ALA A 7 2.558 7.041 8.062 1.00 0.00 C > ATOM 68 H ALA A 7 2.403 7.557 5.578 1.00 0.00 H > ATOM 69 HA ALA A 7 1.665 8.982 7.937 1.00 0.00 H > ATOM 70 1HB ALA A 7 2.671 7.072 9.146 1.00 0.00 H > ATOM 71 2HB ALA A 7 1.628 6.531 7.809 1.00 0.00 H > ATOM 72 3HB ALA A 7 3.398 6.503 7.626 1.00 0.00 H > ATOM 73 N ALA A 8 4.751 9.280 7.024 1.00 0.00 N > ATOM 74 CA ALA A 8 6.015 9.953 7.302 1.00 0.00 C > ATOM 75 C ALA A 8 5.804 11.441 7.550 1.00 0.00 C > ATOM 76 O ALA A 8 6.608 12.088 8.220 1.00 0.00 O > ATOM 77 CB ALA A 8 6.992 9.741 6.155 1.00 0.00 C > ATOM 78 H ALA A 8 4.611 8.851 6.120 1.00 0.00 H > ATOM 79 HA ALA A 8 6.436 9.519 8.209 1.00 0.00 H > ATOM 80 1HB ALA A 8 7.930 10.249 6.377 1.00 0.00 H > ATOM 81 2HB ALA A 8 7.178 8.675 6.027 1.00 0.00 H > ATOM 82 3HB ALA A 8 6.568 10.147 5.237 1.00 0.00 H > ATOM 83 N ALA A 9 4.717 11.978 7.005 1.00 0.00 N > ATOM 84 CA ALA A 9 4.412 13.397 7.145 1.00 0.00 C > ATOM 85 C ALA A 9 4.174 13.768 8.603 1.00 0.00 C > ATOM 86 O ALA A 9 4.348 14.921 8.996 1.00 0.00 O > ATOM 87 CB ALA A 9 3.199 13.763 6.302 1.00 0.00 C > ATOM 88 H ALA A 9 4.087 11.388 6.481 1.00 0.00 H > ATOM 89 HA ALA A 9 5.272 13.965 6.792 1.00 0.00 H > ATOM 90 1HB ALA A 9 2.984 14.825 6.416 1.00 0.00 H > ATOM 91 2HB ALA A 9 3.406 13.546 5.254 1.00 0.00 H > ATOM 92 3HB ALA A 9 2.339 13.181 6.629 1.00 0.00 H > ATOM 93 N ALA A 10 3.775 12.784 9.402 1.00 0.00 N > ATOM 94 CA ALA A 10 3.488 13.011 10.813 1.00 0.00 C > ATOM 95 C ALA A 10 4.736 13.457 11.564 1.00 0.00 C > ATOM 96 O ALA A 10 4.646 14.115 12.601 1.00 0.00 O > ATOM 97 CB ALA A 10 2.911 11.753 11.445 1.00 0.00 C > ATOM 98 H ALA A 10 3.668 11.854 9.021 1.00 0.00 H > ATOM 99 HA ALA A 10 2.752 13.811 10.884 1.00 0.00 H > ATOM 100 1HB ALA A 10 2.702 11.938 12.499 1.00 0.00 H > ATOM 101 2HB ALA A 10 1.988 11.479 10.935 1.00 0.00 H > ATOM 102 3HB ALA A 10 3.629 10.939 11.356 1.00 0.00 H > ATOM 103 N ALA A 11 5.900 13.095 11.035 1.00 0.00 N > ATOM 104 CA ALA A 11 7.168 13.435 11.669 1.00 0.00 C > ATOM 105 C ALA A 11 7.371 14.944 11.719 1.00 0.00 C > ATOM 106 O ALA A 11 8.102 15.453 12.569 1.00 0.00 O > ATOM 107 CB ALA A 11 8.323 12.770 10.933 1.00 0.00 C > ATOM 108 H ALA A 11 5.906 12.570 10.172 1.00 0.00 H > ATOM 109 HA ALA A 11 7.144 13.067 12.694 1.00 0.00 H > ATOM 110 1HB ALA A 11 9.263 13.034 11.418 1.00 0.00 H > ATOM 111 2HB ALA A 11 8.194 11.688 10.956 1.00 0.00 H > ATOM 112 3HB ALA A 11 8.340 13.111 9.900 1.00 0.00 H > ATOM 113 N ALA A 12 6.721 15.654 10.804 1.00 0.00 N > ATOM 114 CA ALA A 12 6.849 17.105 10.727 1.00 0.00 C > ATOM 115 C ALA A 12 6.320 17.773 11.989 1.00 0.00 C > ATOM 116 O ALA A 12 6.723 18.885 12.330 1.00 0.00 O > ATOM 117 CB ALA A 12 6.120 17.636 9.502 1.00 0.00 C > ATOM 118 H ALA A 12 6.122 15.177 10.145 1.00 0.00 H > ATOM 119 HA ALA A 12 7.909 17.347 10.639 1.00 0.00 H > ATOM 120 1HB ALA A 12 6.225 18.720 9.458 1.00 0.00 H > ATOM 121 2HB ALA A 12 6.548 17.193 8.602 1.00 0.00 H > ATOM 122 3HB ALA A 12 5.064 17.377 9.566 1.00 0.00 H > ATOM 123 N ALA A 13 5.415 17.088 12.680 1.00 0.00 N > ATOM 124 CA ALA A 13 4.810 17.625 13.893 1.00 0.00 C > ATOM 125 C ALA A 13 5.854 17.836 14.982 1.00 0.00 C > ATOM 126 O ALA A 13 5.673 18.663 15.877 1.00 0.00 O > ATOM 127 CB ALA A 13 3.708 16.701 14.389 1.00 0.00 C > ATOM 128 H ALA A 13 5.140 16.172 12.357 1.00 0.00 H > ATOM 129 HA ALA A 13 4.376 18.596 13.654 1.00 0.00 H > ATOM 130 1HB ALA A 13 3.266 17.115 15.295 1.00 0.00 H > ATOM 131 2HB ALA A 13 2.940 16.605 13.622 1.00 0.00 H > ATOM 132 3HB ALA A 13 4.127 15.719 14.607 1.00 0.00 H > ATOM 133 N ALA A 14 6.947 17.085 14.902 1.00 0.00 N > ATOM 134 CA ALA A 14 8.010 17.171 15.895 1.00 0.00 C > ATOM 135 C ALA A 14 8.653 18.552 15.897 1.00 0.00 C > ATOM 136 O ALA A 14 9.220 18.982 16.901 1.00 0.00 O > ATOM 137 CB ALA A 14 9.061 16.099 15.640 1.00 0.00 C > ATOM 138 H ALA A 14 7.043 16.438 14.132 1.00 0.00 H > ATOM 139 HA ALA A 14 7.570 17.006 16.878 1.00 0.00 H > ATOM 140 1HB ALA A 14 9.848 16.176 16.390 1.00 0.00 H > ATOM 141 2HB ALA A 14 8.598 15.114 15.699 1.00 0.00 H > ATOM 142 3HB ALA A 14 9.489 16.239 14.649 1.00 0.00 H > ATOM 143 N ALA A 15 8.560 19.244 14.766 1.00 0.00 N > ATOM 144 CA ALA A 15 9.154 20.568 14.627 1.00 0.00 C > ATOM 145 C ALA A 15 8.513 21.563 15.586 1.00 0.00 C > ATOM 146 O ALA A 15 9.124 22.564 15.958 1.00 0.00 O > ATOM 147 CB ALA A 15 9.025 21.058 13.192 1.00 0.00 C > ATOM 148 H ALA A 15 8.065 18.842 13.983 1.00 0.00 H > ATOM 149 HA ALA A 15 10.211 20.493 14.881 1.00 0.00 H > ATOM 150 1HB ALA A 15 9.473 22.048 13.105 1.00 0.00 H > ATOM 151 2HB ALA A 15 9.538 20.367 12.524 1.00 0.00 H > ATOM 152 3HB ALA A 15 7.972 21.112 12.920 1.00 0.00 H > ATOM 153 N ALA A 16 7.277 21.281 15.984 1.00 0.00 N > ATOM 154 CA ALA A 16 6.540 22.164 16.881 1.00 0.00 C > ATOM 155 C ALA A 16 7.226 22.267 18.237 1.00 0.00 C > ATOM 156 O ALA A 16 7.058 23.253 18.955 1.00 0.00 O > ATOM 157 CB ALA A 16 5.109 21.675 17.048 1.00 0.00 C > ATOM 158 H ALA A 16 6.836 20.433 15.657 1.00 0.00 H > ATOM 159 HA ALA A 16 6.524 23.159 16.438 1.00 0.00 H > ATOM 160 1HB ALA A 16 4.572 22.345 17.720 1.00 0.00 H > ATOM 161 2HB ALA A 16 4.613 21.662 16.077 1.00 0.00 H > ATOM 162 3HB ALA A 16 5.114 20.670 17.466 1.00 0.00 H > ATOM 163 N ALA A 17 8.000 21.244 18.583 1.00 0.00 N > ATOM 164 CA ALA A 17 8.692 21.206 19.866 1.00 0.00 C > ATOM 165 C ALA A 17 9.705 22.339 19.979 1.00 0.00 C > ATOM 166 O ALA A 17 10.054 22.764 21.080 1.00 0.00 O > ATOM 167 CB ALA A 17 9.379 19.862 20.058 1.00 0.00 C > ATOM 168 H ALA A 17 8.111 20.472 17.941 1.00 0.00 H > ATOM 169 HA ALA A 17 7.952 21.341 20.655 1.00 0.00 H > ATOM 170 1HB ALA A 17 9.891 19.849 21.020 1.00 0.00 H > ATOM 171 2HB ALA A 17 8.634 19.066 20.033 1.00 0.00 H > ATOM 172 3HB ALA A 17 10.103 19.706 19.260 1.00 0.00 H > ATOM 173 N ALA A 18 10.173 22.824 18.834 1.00 0.00 N > ATOM 174 CA ALA A 18 11.166 23.891 18.802 1.00 0.00 C > ATOM 175 C ALA A 18 10.616 25.173 19.414 1.00 0.00 C > ATOM 176 O ALA A 18 11.373 26.018 19.892 1.00 0.00 O > ATOM 177 CB ALA A 18 11.628 24.142 17.374 1.00 0.00 C > ATOM 178 H ALA A 18 9.832 22.443 17.962 1.00 0.00 H > ATOM 179 HA ALA A 18 12.021 23.575 19.400 1.00 0.00 H > ATOM 180 1HB ALA A 18 12.369 24.942 17.367 1.00 0.00 H > ATOM 181 2HB ALA A 18 12.072 23.233 16.970 1.00 0.00 H > ATOM 182 3HB ALA A 18 10.776 24.433 16.762 1.00 0.00 H > ATOM 183 N ALA A 19 9.295 25.312 19.397 1.00 0.00 N > ATOM 184 CA ALA A 19 8.643 26.503 19.927 1.00 0.00 C > ATOM 185 C ALA A 19 8.893 26.649 21.422 1.00 0.00 C > ATOM 186 O ALA A 19 8.837 27.752 21.966 1.00 0.00 O > ATOM 187 CB ALA A 19 7.148 26.460 19.642 1.00 0.00 C > ATOM 188 H ALA A 19 8.727 24.573 19.006 1.00 0.00 H > ATOM 189 HA ALA A 19 9.071 27.374 19.430 1.00 0.00 H > ATOM 190 1HB ALA A 19 6.675 27.356 20.044 1.00 0.00 H > ATOM 191 2HB ALA A 19 6.984 26.415 18.566 1.00 0.00 H > ATOM 192 3HB ALA A 19 6.714 25.579 20.112 1.00 0.00 H > ATOM 193 N ALA A 20 9.169 25.530 22.083 1.00 0.00 N > ATOM 194 CA ALA A 20 9.405 25.528 23.521 1.00 0.00 C > ATOM 195 C ALA A 20 10.637 26.350 23.878 1.00 0.00 C > ATOM 196 O ALA A 20 10.756 26.854 24.995 1.00 0.00 O > ATOM 197 CB ALA A 20 9.555 24.102 24.031 1.00 0.00 C > ATOM 198 H ALA A 20 9.216 24.658 21.575 1.00 0.00 H > ATOM 199 HA ALA A 20 8.545 25.987 24.007 1.00 0.00 H > ATOM 200 1HB ALA A 20 9.732 24.117 25.107 1.00 0.00 H > ATOM 201 2HB ALA A 20 8.644 23.542 23.821 1.00 0.00 H > ATOM 202 3HB ALA A 20 10.397 23.624 23.533 1.00 0.00 H > ATOM 203 N ALA A 21 11.551 26.481 22.923 1.00 0.00 N > ATOM 204 CA ALA A 21 12.786 27.225 23.142 1.00 0.00 C > ATOM 205 C ALA A 21 12.501 28.694 23.427 1.00 0.00 C > ATOM 206 O ALA A 21 13.293 29.375 24.079 1.00 0.00 O > ATOM 207 CB ALA A 21 13.707 27.089 21.939 1.00 0.00 C > ATOM 208 H ALA A 21 11.387 26.055 22.023 1.00 0.00 H > ATOM 209 HA ALA A 21 13.284 26.806 24.017 1.00 0.00 H > ATOM 210 1HB ALA A 21 14.625 27.650 22.117 1.00 0.00 H > ATOM 211 2HB ALA A 21 13.949 26.037 21.783 1.00 0.00 H > ATOM 212 3HB ALA A 21 13.209 27.481 21.053 1.00 0.00 H > ATOM 213 N ALA A 22 11.366 29.178 22.934 1.00 0.00 N > ATOM 214 CA ALA A 22 10.988 30.575 23.109 1.00 0.00 C > ATOM 215 C ALA A 22 10.651 30.876 24.564 1.00 0.00 C > ATOM 216 O ALA A 22 10.657 32.032 24.986 1.00 0.00 O > ATOM 217 CB ALA A 22 9.810 30.922 22.211 1.00 0.00 C > ATOM 218 H ALA A 22 10.749 28.562 22.424 1.00 0.00 H > ATOM 219 HA ALA A 22 11.840 31.194 22.829 1.00 0.00 H > ATOM 220 1HB ALA A 22 9.539 31.968 22.354 1.00 0.00 H > ATOM 221 2HB ALA A 22 10.085 30.757 21.169 1.00 0.00 H > ATOM 222 3HB ALA A 22 8.960 30.290 22.466 1.00 0.00 H > ATOM 223 N ALA A 23 10.358 29.828 25.327 1.00 0.00 N > ATOM 224 CA ALA A 23 10.013 29.979 26.736 1.00 0.00 C > ATOM 225 C ALA A 23 11.246 29.859 27.621 1.00 0.00 C > ATOM 226 O ALA A 23 11.156 29.961 28.845 1.00 0.00 O > ATOM 227 CB ALA A 23 8.970 28.947 27.139 1.00 0.00 C > ATOM 228 H ALA A 23 10.376 28.904 24.921 1.00 0.00 H > ATOM 229 HA ALA A 23 9.596 30.976 26.877 1.00 0.00 H > ATOM 230 1HB ALA A 23 8.723 29.072 28.193 1.00 0.00 H > ATOM 231 2HB ALA A 23 8.072 29.083 26.536 1.00 0.00 H > ATOM 232 3HB ALA A 23 9.368 27.946 26.976 1.00 0.00 H > ATOM 233 N ALA A 24 12.399 29.643 26.996 1.00 0.00 N > ATOM 234 CA ALA A 24 13.648 29.475 27.729 1.00 0.00 C > ATOM 235 C ALA A 24 14.519 30.720 27.627 1.00 0.00 C > ATOM 236 O ALA A 24 14.469 31.444 26.632 1.00 0.00 O > ATOM 237 OXT ALA A 24 15.265 31.006 28.522 1.00 0.00 O > ATOM 238 CB ALA A 24 14.404 28.258 27.215 1.00 0.00 C > ATOM 239 H ALA A 24 12.410 29.594 25.987 1.00 0.00 H > ATOM 240 HA ALA A 24 13.406 29.322 28.781 1.00 0.00 H > ATOM 241 1HB ALA A 24 15.334 28.145 27.772 1.00 0.00 H > ATOM 242 2HB ALA A 24 13.791 27.366 27.348 1.00 0.00 H > ATOM 243 3HB ALA A 24 14.628 28.389 26.158 1.00 0.00 H 526,550c526,550 < pose -55.2695 17.1059 34.2275 0.02503 -0.90825 0 -13.4249 0 0 0 0 -7.45782 0.37046 0 -2.84076 0 18.5698 -9.60251 < ALA:NtermProteinFull_1 -1.35186 0.32413 1.09129 0.00105 0.45541 0 0 0 0 0 0 0 0.12748 0 0 0 0.77374 1.42125 < ALA_2 -1.51069 0.49323 0.99002 0.00098 0.3799 0 0 0 0 0 0 -0.33019 0.02223 0 -0.19561 0 0.77374 0.62363 < ALA_3 -2.03358 0.66904 1.37095 0.00101 0.16799 0 0 0 0 0 0 -0.31808 0.04063 0 -0.1641 0 0.77374 0.50762 < ALA_4 -2.51593 0.82861 1.5381 0.00102 -0.0666 0 0 0 0 0 0 -0.35005 0.01296 0 -0.13521 0 0.77374 0.08664 < ALA_5 -2.51532 0.79583 1.52522 0.00103 -0.15492 0 0 0 0 0 0 -0.34926 0.00898 0 -0.13201 0 0.77374 -0.0467 < ALA_6 -2.50211 0.80344 1.51098 0.00103 -0.1387 0 0 0 0 0 0 -0.34845 0.00879 0 -0.13241 0 0.77374 -0.02368 < ALA_7 -2.49875 0.80533 1.50579 0.00103 -0.13526 0 0 0 0 0 0 -0.3483 0.00875 0 -0.13266 0 0.77374 -0.02032 < ALA_8 -2.49973 0.80614 1.5059 0.00103 -0.13545 0 0 0 0 0 0 -0.34817 0.00921 0 -0.13306 0 0.77374 -0.02039 < ALA_9 -2.49901 0.80495 1.5053 0.00103 -0.13511 0 0 0 0 0 0 -0.3481 0.00873 0 -0.13308 0 0.77374 -0.02156 < ALA_10 -2.49903 0.80502 1.50541 0.00103 -0.13497 0 0 0 0 0 0 -0.34824 0.009 0 -0.13301 0 0.77374 -0.02107 < ALA_11 -2.50005 0.8055 1.50612 0.00103 -0.13588 0 0 0 0 0 0 -0.3482 0.00911 0 -0.13304 0 0.77374 -0.02166 < ALA_12 -2.49935 0.80503 1.50561 0.00103 -0.13512 0 0 0 0 0 0 -0.34815 0.0089 0 -0.13307 0 0.77374 -0.02139 < ALA_13 -2.49932 0.80514 1.50565 0.00103 -0.13521 0 0 0 0 0 0 -0.34821 0.00904 0 -0.13303 0 0.77374 -0.02118 < ALA_14 -2.49971 0.80527 1.50589 0.00103 -0.13554 0 0 0 0 0 0 -0.34818 0.009 0 -0.13305 0 0.77374 -0.02156 < ALA_15 -2.49957 0.80517 1.50577 0.00103 -0.13529 0 0 0 0 0 0 -0.34818 0.00895 0 -0.13306 0 0.77374 -0.02144 < ALA_16 -2.49907 0.80497 1.50541 0.00103 -0.1353 0 0 0 0 0 0 -0.34817 0.00899 0 -0.13311 0 0.77374 -0.02151 < ALA_17 -2.49854 0.80627 1.50527 0.00103 -0.13507 0 0 0 0 0 0 -0.34828 0.00898 0 -0.13291 0 0.77374 -0.0195 < ALA_18 -2.50168 0.80545 1.50795 0.00103 -0.13582 0 0 0 0 0 0 -0.3481 0.00928 0 -0.13287 0 0.77374 -0.021 < ALA_19 -2.53295 0.80142 1.52821 0.00103 -0.14725 0 0 0 0 0 0 -0.34825 0.00727 0 -0.13251 0 0.77374 -0.04928 < ALA_20 -2.66644 0.76978 1.59924 0.00102 -0.14286 0 0 0 0 0 0 -0.34578 0.00601 0 -0.13759 0 0.77374 -0.14288 < ALA_21 -2.66407 0.75251 1.59129 0.00102 0.02451 0 0 0 0 0 0 -0.34849 0.01135 0 -0.14203 0 0.77374 -0.00017 < ALA_22 -1.89558 0.54683 1.20162 0.00107 -0.00793 0 0 0 0 0 0 -0.36051 0.00046 0 -0.0682 0 0.77374 0.19151 < ALA_23 -1.52109 0.42253 1.0096 0.0014 0.07784 0 0 0 0 0 0 -0.18049 0.01636 0 -0.00516 0 0.77374 0.59474 < ALA:CtermProteinFull_24 -1.5661 0.23434 1.20094 0.00103 0.2684 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.91234 --- > pose -55.2692 17.1007 34.2276 0.02503 -0.90724 0 -13.4191 0 0 0 0 -7.45704 0.36789 0 -2.84111 0 18.5698 -9.60265 > ALA:NtermProteinFull_1 -1.35258 0.32422 1.09231 0.00105 0.45581 0 0 0 0 0 0 0 0.12465 0 0 0 0.77374 1.41921 > ALA_2 -1.51082 0.49327 0.99033 0.00098 0.38005 0 0 0 0 0 0 -0.32952 0.02274 0 -0.19663 0 0.77374 0.62414 > ALA_3 -2.03397 0.66876 1.3713 0.00101 0.16786 0 0 0 0 0 0 -0.31826 0.03993 0 -0.16385 0 0.77374 0.50652 > ALA_4 -2.51688 0.83016 1.53906 0.00102 -0.06639 0 0 0 0 0 0 -0.34974 0.01314 0 -0.13585 0 0.77374 0.08826 > ALA_5 -2.51537 0.79562 1.52537 0.00103 -0.15505 0 0 0 0 0 0 -0.34905 0.00915 0 -0.13203 0 0.77374 -0.04658 > ALA_6 -2.50274 0.80444 1.51141 0.00103 -0.13889 0 0 0 0 0 0 -0.34844 0.0088 0 -0.13245 0 0.77374 -0.02311 > ALA_7 -2.49888 0.80483 1.50594 0.00103 -0.13556 0 0 0 0 0 0 -0.34833 0.00882 0 -0.1327 0 0.77374 -0.02112 > ALA_8 -2.499 0.80536 1.50536 0.00103 -0.13516 0 0 0 0 0 0 -0.34829 0.0089 0 -0.13303 0 0.77374 -0.02109 > ALA_9 -2.4992 0.80463 1.50544 0.00103 -0.13526 0 0 0 0 0 0 -0.3482 0.00903 0 -0.13296 0 0.77374 -0.02176 > ALA_10 -2.4994 0.80534 1.50557 0.00103 -0.13524 0 0 0 0 0 0 -0.34824 0.00892 0 -0.13296 0 0.77374 -0.02123 > ALA_11 -2.49925 0.80506 1.50558 0.00103 -0.13526 0 0 0 0 0 0 -0.34825 0.00902 0 -0.13293 0 0.77374 -0.02125 > ALA_12 -2.49955 0.80531 1.50576 0.00103 -0.13542 0 0 0 0 0 0 -0.34822 0.00902 0 -0.13297 0 0.77374 -0.0213 > ALA_13 -2.4992 0.80495 1.50553 0.00103 -0.13516 0 0 0 0 0 0 -0.34819 0.00898 0 -0.13304 0 0.77374 -0.02136 > ALA_14 -2.49929 0.80498 1.50558 0.00103 -0.1353 0 0 0 0 0 0 -0.34825 0.00905 0 -0.13301 0 0.77374 -0.02147 > ALA_15 -2.49931 0.80493 1.50557 0.00103 -0.13534 0 0 0 0 0 0 -0.34826 0.00893 0 -0.13294 0 0.77374 -0.02165 > ALA_16 -2.4989 0.80477 1.5053 0.00103 -0.13517 0 0 0 0 0 0 -0.34822 0.00908 0 -0.133 0 0.77374 -0.02137 > ALA_17 -2.49835 0.8059 1.50516 0.00103 -0.13505 0 0 0 0 0 0 -0.34832 0.00906 0 -0.13289 0 0.77374 -0.01971 > ALA_18 -2.50184 0.80573 1.50802 0.00103 -0.13573 0 0 0 0 0 0 -0.34823 0.0091 0 -0.13279 0 0.77374 -0.02096 > ALA_19 -2.53272 0.7996 1.52798 0.00103 -0.14697 0 0 0 0 0 0 -0.34808 0.00729 0 -0.13259 0 0.77374 -0.05072 > ALA_20 -2.66695 0.76953 1.59948 0.00102 -0.14284 0 0 0 0 0 0 -0.34595 0.00614 0 -0.13781 0 0.77374 -0.14363 > ALA_21 -2.66313 0.75181 1.59031 0.00102 0.02357 0 0 0 0 0 0 -0.34852 0.01144 0 -0.14228 0 0.77374 -0.00205 > ALA_22 -1.89487 0.54493 1.20082 0.00107 -0.00789 0 0 0 0 0 0 -0.36043 0.00046 0 -0.06791 0 0.77374 0.18993 > ALA_23 -1.52184 0.42319 1.01036 0.0014 0.07873 0 0 0 0 0 0 -0.18007 0.01624 0 -0.00449 0 0.77374 0.59726 > ALA:CtermProteinFull_24 -1.56516 0.23333 1.20009 0.00103 0.26843 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.91146 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0013.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0013.pdb 13c13 < ATOM 4 O ALA A 1 2.446 1.927 1.033 1.00 0.00 O --- > ATOM 4 O ALA A 1 2.447 1.926 1.033 1.00 0.00 O 22,23c22,23 < ATOM 13 N ALA A 2 1.985 2.059 -1.165 1.00 0.00 N < ATOM 14 CA ALA A 2 2.535 3.401 -1.315 1.00 0.00 C --- > ATOM 13 N ALA A 2 1.984 2.059 -1.165 1.00 0.00 N > ATOM 14 CA ALA A 2 2.534 3.401 -1.314 1.00 0.00 C 25,27c25,27 < ATOM 16 O ALA A 2 2.367 5.302 0.139 1.00 0.00 O < ATOM 17 CB ALA A 2 2.512 3.823 -2.776 1.00 0.00 C < ATOM 18 H ALA A 2 1.575 1.603 -1.968 1.00 0.00 H --- > ATOM 16 O ALA A 2 2.367 5.302 0.140 1.00 0.00 O > ATOM 17 CB ALA A 2 2.511 3.823 -2.776 1.00 0.00 C > ATOM 18 H ALA A 2 1.574 1.603 -1.967 1.00 0.00 H 29,60c29,60 < ATOM 20 1HB ALA A 2 2.926 4.827 -2.872 1.00 0.00 H < ATOM 21 2HB ALA A 2 3.109 3.127 -3.365 1.00 0.00 H < ATOM 22 3HB ALA A 2 1.486 3.817 -3.140 1.00 0.00 H < ATOM 23 N ALA A 3 0.454 4.254 -0.411 1.00 0.00 N < ATOM 24 CA ALA A 3 -0.389 5.130 0.393 1.00 0.00 C < ATOM 25 C ALA A 3 -0.061 5.003 1.875 1.00 0.00 C < ATOM 26 O ALA A 3 -0.049 5.994 2.605 1.00 0.00 O < ATOM 27 CB ALA A 3 -1.859 4.822 0.148 1.00 0.00 C < ATOM 28 H ALA A 3 0.024 3.511 -0.944 1.00 0.00 H < ATOM 29 HA ALA A 3 -0.190 6.159 0.094 1.00 0.00 H < ATOM 30 1HB ALA A 3 -2.476 5.485 0.756 1.00 0.00 H < ATOM 31 2HB ALA A 3 -2.092 4.974 -0.906 1.00 0.00 H < ATOM 32 3HB ALA A 3 -2.063 3.787 0.419 1.00 0.00 H < ATOM 33 N ALA A 4 0.206 3.777 2.313 1.00 0.00 N < ATOM 34 CA ALA A 4 0.588 3.525 3.698 1.00 0.00 C < ATOM 35 C ALA A 4 1.929 4.169 4.025 1.00 0.00 C < ATOM 36 O ALA A 4 2.113 4.726 5.108 1.00 0.00 O < ATOM 37 CB ALA A 4 0.639 2.029 3.969 1.00 0.00 C < ATOM 38 H ALA A 4 0.142 3.000 1.671 1.00 0.00 H < ATOM 39 HA ALA A 4 -0.166 3.975 4.344 1.00 0.00 H < ATOM 40 1HB ALA A 4 0.925 1.857 5.006 1.00 0.00 H < ATOM 41 2HB ALA A 4 -0.343 1.592 3.786 1.00 0.00 H < ATOM 42 3HB ALA A 4 1.370 1.565 3.309 1.00 0.00 H < ATOM 43 N ALA A 5 2.863 4.090 3.084 1.00 0.00 N < ATOM 44 CA ALA A 5 4.165 4.728 3.241 1.00 0.00 C < ATOM 45 C ALA A 5 4.027 6.241 3.343 1.00 0.00 C < ATOM 46 O ALA A 5 4.711 6.884 4.140 1.00 0.00 O < ATOM 47 CB ALA A 5 5.079 4.356 2.083 1.00 0.00 C < ATOM 48 H ALA A 5 2.666 3.574 2.238 1.00 0.00 H < ATOM 49 HA ALA A 5 4.608 4.369 4.170 1.00 0.00 H < ATOM 50 1HB ALA A 5 6.047 4.840 2.214 1.00 0.00 H < ATOM 51 2HB ALA A 5 5.215 3.275 2.058 1.00 0.00 H --- > ATOM 20 1HB ALA A 2 2.924 4.827 -2.872 1.00 0.00 H > ATOM 21 2HB ALA A 2 3.108 3.127 -3.366 1.00 0.00 H > ATOM 22 3HB ALA A 2 1.484 3.818 -3.140 1.00 0.00 H > ATOM 23 N ALA A 3 0.454 4.254 -0.410 1.00 0.00 N > ATOM 24 CA ALA A 3 -0.389 5.130 0.394 1.00 0.00 C > ATOM 25 C ALA A 3 -0.060 5.003 1.876 1.00 0.00 C > ATOM 26 O ALA A 3 -0.048 5.993 2.607 1.00 0.00 O > ATOM 27 CB ALA A 3 -1.859 4.822 0.151 1.00 0.00 C > ATOM 28 H ALA A 3 0.024 3.511 -0.943 1.00 0.00 H > ATOM 29 HA ALA A 3 -0.190 6.159 0.095 1.00 0.00 H > ATOM 30 1HB ALA A 3 -2.475 5.484 0.758 1.00 0.00 H > ATOM 31 2HB ALA A 3 -2.093 4.974 -0.903 1.00 0.00 H > ATOM 32 3HB ALA A 3 -2.063 3.787 0.422 1.00 0.00 H > ATOM 33 N ALA A 4 0.207 3.777 2.315 1.00 0.00 N > ATOM 34 CA ALA A 4 0.589 3.524 3.699 1.00 0.00 C > ATOM 35 C ALA A 4 1.930 4.168 4.026 1.00 0.00 C > ATOM 36 O ALA A 4 2.115 4.725 5.108 1.00 0.00 O > ATOM 37 CB ALA A 4 0.640 2.028 3.970 1.00 0.00 C > ATOM 38 H ALA A 4 0.143 3.000 1.672 1.00 0.00 H > ATOM 39 HA ALA A 4 -0.164 3.975 4.346 1.00 0.00 H > ATOM 40 1HB ALA A 4 0.927 1.856 5.007 1.00 0.00 H > ATOM 41 2HB ALA A 4 -0.341 1.591 3.787 1.00 0.00 H > ATOM 42 3HB ALA A 4 1.372 1.564 3.310 1.00 0.00 H > ATOM 43 N ALA A 5 2.864 4.089 3.084 1.00 0.00 N > ATOM 44 CA ALA A 5 4.166 4.727 3.240 1.00 0.00 C > ATOM 45 C ALA A 5 4.029 6.240 3.343 1.00 0.00 C > ATOM 46 O ALA A 5 4.712 6.883 4.140 1.00 0.00 O > ATOM 47 CB ALA A 5 5.080 4.356 2.082 1.00 0.00 C > ATOM 48 H ALA A 5 2.667 3.573 2.238 1.00 0.00 H > ATOM 49 HA ALA A 5 4.610 4.368 4.169 1.00 0.00 H > ATOM 50 1HB ALA A 5 6.048 4.840 2.213 1.00 0.00 H > ATOM 51 2HB ALA A 5 5.216 3.274 2.057 1.00 0.00 H 62,252c62,252 < ATOM 53 N ALA A 6 3.140 6.806 2.531 1.00 0.00 N < ATOM 54 CA ALA A 6 2.864 8.237 2.574 1.00 0.00 C < ATOM 55 C ALA A 6 2.276 8.644 3.919 1.00 0.00 C < ATOM 56 O ALA A 6 2.628 9.686 4.472 1.00 0.00 O < ATOM 57 CB ALA A 6 1.922 8.629 1.445 1.00 0.00 C < ATOM 58 H ALA A 6 2.644 6.229 1.867 1.00 0.00 H < ATOM 59 HA ALA A 6 3.807 8.768 2.448 1.00 0.00 H < ATOM 60 1HB ALA A 6 1.725 9.700 1.491 1.00 0.00 H < ATOM 61 2HB ALA A 6 2.381 8.385 0.487 1.00 0.00 H < ATOM 62 3HB ALA A 6 0.985 8.084 1.547 1.00 0.00 H < ATOM 63 N ALA A 7 1.377 7.816 4.441 1.00 0.00 N < ATOM 64 CA ALA A 7 0.786 8.055 5.753 1.00 0.00 C < ATOM 65 C ALA A 7 1.844 8.019 6.848 1.00 0.00 C < ATOM 66 O ALA A 7 1.821 8.832 7.773 1.00 0.00 O < ATOM 67 CB ALA A 7 -0.304 7.032 6.036 1.00 0.00 C < ATOM 68 H ALA A 7 1.097 7.000 3.917 1.00 0.00 H < ATOM 69 HA ALA A 7 0.343 9.051 5.748 1.00 0.00 H < ATOM 70 1HB ALA A 7 -0.736 7.223 7.019 1.00 0.00 H < ATOM 71 2HB ALA A 7 -1.082 7.109 5.277 1.00 0.00 H < ATOM 72 3HB ALA A 7 0.123 6.031 6.017 1.00 0.00 H < ATOM 73 N ALA A 8 2.770 7.073 6.739 1.00 0.00 N < ATOM 74 CA ALA A 8 3.874 6.969 7.686 1.00 0.00 C < ATOM 75 C ALA A 8 4.761 8.206 7.636 1.00 0.00 C < ATOM 76 O ALA A 8 5.207 8.704 8.670 1.00 0.00 O < ATOM 77 CB ALA A 8 4.695 5.718 7.407 1.00 0.00 C < ATOM 78 H ALA A 8 2.708 6.409 5.981 1.00 0.00 H < ATOM 79 HA ALA A 8 3.454 6.899 8.689 1.00 0.00 H < ATOM 80 1HB ALA A 8 5.515 5.655 8.122 1.00 0.00 H < ATOM 81 2HB ALA A 8 4.060 4.837 7.504 1.00 0.00 H < ATOM 82 3HB ALA A 8 5.097 5.766 6.396 1.00 0.00 H < ATOM 83 N ALA A 9 5.013 8.699 6.428 1.00 0.00 N < ATOM 84 CA ALA A 9 5.795 9.916 6.245 1.00 0.00 C < ATOM 85 C ALA A 9 5.102 11.116 6.876 1.00 0.00 C < ATOM 86 O ALA A 9 5.746 11.962 7.496 1.00 0.00 O < ATOM 87 CB ALA A 9 6.045 10.167 4.765 1.00 0.00 C < ATOM 88 H ALA A 9 4.654 8.218 5.616 1.00 0.00 H < ATOM 89 HA ALA A 9 6.753 9.781 6.747 1.00 0.00 H < ATOM 90 1HB ALA A 9 6.630 11.079 4.644 1.00 0.00 H < ATOM 91 2HB ALA A 9 6.593 9.326 4.341 1.00 0.00 H < ATOM 92 3HB ALA A 9 5.093 10.276 4.249 1.00 0.00 H < ATOM 93 N ALA A 10 3.785 11.185 6.714 1.00 0.00 N < ATOM 94 CA ALA A 10 2.993 12.248 7.320 1.00 0.00 C < ATOM 95 C ALA A 10 3.064 12.190 8.841 1.00 0.00 C < ATOM 96 O ALA A 10 3.165 13.220 9.507 1.00 0.00 O < ATOM 97 CB ALA A 10 1.546 12.163 6.855 1.00 0.00 C < ATOM 98 H ALA A 10 3.320 10.482 6.156 1.00 0.00 H < ATOM 99 HA ALA A 10 3.409 13.204 7.003 1.00 0.00 H < ATOM 100 1HB ALA A 10 0.968 12.963 7.316 1.00 0.00 H < ATOM 101 2HB ALA A 10 1.506 12.265 5.771 1.00 0.00 H < ATOM 102 3HB ALA A 10 1.128 11.200 7.144 1.00 0.00 H < ATOM 103 N ALA A 11 3.011 10.979 9.384 1.00 0.00 N < ATOM 104 CA ALA A 11 3.134 10.779 10.823 1.00 0.00 C < ATOM 105 C ALA A 11 4.498 11.231 11.328 1.00 0.00 C < ATOM 106 O ALA A 11 4.605 11.843 12.391 1.00 0.00 O < ATOM 107 CB ALA A 11 2.896 9.318 11.177 1.00 0.00 C < ATOM 108 H ALA A 11 2.883 10.176 8.785 1.00 0.00 H < ATOM 109 HA ALA A 11 2.376 11.389 11.316 1.00 0.00 H < ATOM 110 1HB ALA A 11 2.991 9.184 12.255 1.00 0.00 H < ATOM 111 2HB ALA A 11 1.895 9.025 10.862 1.00 0.00 H < ATOM 112 3HB ALA A 11 3.632 8.697 10.669 1.00 0.00 H < ATOM 113 N ALA A 12 5.538 10.926 10.560 1.00 0.00 N < ATOM 114 CA ALA A 12 6.890 11.355 10.896 1.00 0.00 C < ATOM 115 C ALA A 12 7.003 12.874 10.893 1.00 0.00 C < ATOM 116 O ALA A 12 7.651 13.460 11.761 1.00 0.00 O < ATOM 117 CB ALA A 12 7.895 10.749 9.927 1.00 0.00 C < ATOM 118 H ALA A 12 5.388 10.383 9.722 1.00 0.00 H < ATOM 119 HA ALA A 12 7.116 11.005 11.903 1.00 0.00 H < ATOM 120 1HB ALA A 12 8.900 11.078 10.191 1.00 0.00 H < ATOM 121 2HB ALA A 12 7.843 9.661 9.983 1.00 0.00 H < ATOM 122 3HB ALA A 12 7.662 11.071 8.913 1.00 0.00 H < ATOM 123 N ALA A 13 6.368 13.508 9.913 1.00 0.00 N < ATOM 124 CA ALA A 13 6.343 14.963 9.832 1.00 0.00 C < ATOM 125 C ALA A 13 5.633 15.570 11.035 1.00 0.00 C < ATOM 126 O ALA A 13 6.071 16.584 11.580 1.00 0.00 O < ATOM 127 CB ALA A 13 5.672 15.410 8.541 1.00 0.00 C < ATOM 128 H ALA A 13 5.890 12.967 9.206 1.00 0.00 H < ATOM 129 HA ALA A 13 7.373 15.320 9.836 1.00 0.00 H < ATOM 130 1HB ALA A 13 5.661 16.499 8.495 1.00 0.00 H < ATOM 131 2HB ALA A 13 6.225 15.016 7.688 1.00 0.00 H < ATOM 132 3HB ALA A 13 4.650 15.036 8.515 1.00 0.00 H < ATOM 133 N ALA A 14 4.536 14.944 11.446 1.00 0.00 N < ATOM 134 CA ALA A 14 3.799 15.384 12.625 1.00 0.00 C < ATOM 135 C ALA A 14 4.651 15.269 13.882 1.00 0.00 C < ATOM 136 O ALA A 14 4.626 16.148 14.743 1.00 0.00 O < ATOM 137 CB ALA A 14 2.516 14.580 12.779 1.00 0.00 C < ATOM 138 H ALA A 14 4.204 14.143 10.929 1.00 0.00 H < ATOM 139 HA ALA A 14 3.542 16.435 12.491 1.00 0.00 H < ATOM 140 1HB ALA A 14 1.977 14.920 13.663 1.00 0.00 H < ATOM 141 2HB ALA A 14 1.891 14.719 11.897 1.00 0.00 H < ATOM 142 3HB ALA A 14 2.760 13.524 12.887 1.00 0.00 H < ATOM 143 N ALA A 15 5.403 14.178 13.983 1.00 0.00 N < ATOM 144 CA ALA A 15 6.312 13.975 15.105 1.00 0.00 C < ATOM 145 C ALA A 15 7.398 15.043 15.135 1.00 0.00 C < ATOM 146 O ALA A 15 7.758 15.545 16.199 1.00 0.00 O < ATOM 147 CB ALA A 15 6.935 12.589 15.037 1.00 0.00 C < ATOM 148 H ALA A 15 5.345 13.472 13.263 1.00 0.00 H < ATOM 149 HA ALA A 15 5.736 14.059 16.026 1.00 0.00 H < ATOM 150 1HB ALA A 15 7.611 12.452 15.882 1.00 0.00 H < ATOM 151 2HB ALA A 15 6.149 11.834 15.076 1.00 0.00 H < ATOM 152 3HB ALA A 15 7.492 12.485 14.107 1.00 0.00 H < ATOM 153 N ALA A 16 7.916 15.386 13.960 1.00 0.00 N < ATOM 154 CA ALA A 16 8.917 16.440 13.843 1.00 0.00 C < ATOM 155 C ALA A 16 8.354 17.785 14.281 1.00 0.00 C < ATOM 156 O ALA A 16 9.031 18.564 14.952 1.00 0.00 O < ATOM 157 CB ALA A 16 9.433 16.522 12.414 1.00 0.00 C < ATOM 158 H ALA A 16 7.608 14.904 13.128 1.00 0.00 H < ATOM 159 HA ALA A 16 9.747 16.193 14.505 1.00 0.00 H < ATOM 160 1HB ALA A 16 10.180 17.314 12.342 1.00 0.00 H < ATOM 161 2HB ALA A 16 9.886 15.571 12.135 1.00 0.00 H < ATOM 162 3HB ALA A 16 8.607 16.742 11.740 1.00 0.00 H < ATOM 163 N ALA A 17 7.110 18.054 13.898 1.00 0.00 N < ATOM 164 CA ALA A 17 6.431 19.279 14.303 1.00 0.00 C < ATOM 165 C ALA A 17 6.255 19.336 15.815 1.00 0.00 C < ATOM 166 O ALA A 17 6.430 20.388 16.430 1.00 0.00 O < ATOM 167 CB ALA A 17 5.081 19.391 13.609 1.00 0.00 C < ATOM 168 H ALA A 17 6.623 17.392 13.310 1.00 0.00 H < ATOM 169 HA ALA A 17 7.052 20.124 14.007 1.00 0.00 H < ATOM 170 1HB ALA A 17 4.587 20.310 13.921 1.00 0.00 H < ATOM 171 2HB ALA A 17 5.228 19.407 12.529 1.00 0.00 H < ATOM 172 3HB ALA A 17 4.462 18.537 13.877 1.00 0.00 H < ATOM 173 N ALA A 18 5.907 18.200 16.409 1.00 0.00 N < ATOM 174 CA ALA A 18 5.769 18.103 17.857 1.00 0.00 C < ATOM 175 C ALA A 18 7.096 18.368 18.556 1.00 0.00 C < ATOM 176 O ALA A 18 7.142 19.043 19.585 1.00 0.00 O < ATOM 177 CB ALA A 18 5.229 16.735 18.247 1.00 0.00 C < ATOM 178 H ALA A 18 5.735 17.381 15.842 1.00 0.00 H < ATOM 179 HA ALA A 18 5.062 18.867 18.181 1.00 0.00 H < ATOM 180 1HB ALA A 18 5.131 16.678 19.332 1.00 0.00 H < ATOM 181 2HB ALA A 18 4.253 16.583 17.787 1.00 0.00 H < ATOM 182 3HB ALA A 18 5.916 15.962 17.905 1.00 0.00 H < ATOM 183 N ALA A 19 8.173 17.833 17.992 1.00 0.00 N < ATOM 184 CA ALA A 19 9.511 18.063 18.525 1.00 0.00 C < ATOM 185 C ALA A 19 9.885 19.538 18.457 1.00 0.00 C < ATOM 186 O ALA A 19 10.483 20.080 19.387 1.00 0.00 O < ATOM 187 CB ALA A 19 10.532 17.223 17.772 1.00 0.00 C < ATOM 188 H ALA A 19 8.063 17.253 17.173 1.00 0.00 H < ATOM 189 HA ALA A 19 9.513 17.766 19.574 1.00 0.00 H < ATOM 190 1HB ALA A 19 11.526 17.405 18.182 1.00 0.00 H < ATOM 191 2HB ALA A 19 10.284 16.167 17.879 1.00 0.00 H < ATOM 192 3HB ALA A 19 10.520 17.494 16.718 1.00 0.00 H < ATOM 193 N ALA A 20 9.530 20.183 17.351 1.00 0.00 N < ATOM 194 CA ALA A 20 9.771 21.611 17.187 1.00 0.00 C < ATOM 195 C ALA A 20 9.000 22.423 18.219 1.00 0.00 C < ATOM 196 O ALA A 20 9.515 23.396 18.769 1.00 0.00 O < ATOM 197 CB ALA A 20 9.398 22.053 15.779 1.00 0.00 C < ATOM 198 H ALA A 20 9.080 19.671 16.606 1.00 0.00 H < ATOM 199 HA ALA A 20 10.834 21.795 17.344 1.00 0.00 H < ATOM 200 1HB ALA A 20 9.584 23.122 15.672 1.00 0.00 H < ATOM 201 2HB ALA A 20 9.999 21.505 15.054 1.00 0.00 H < ATOM 202 3HB ALA A 20 8.343 21.849 15.602 1.00 0.00 H < ATOM 203 N ALA A 21 7.761 22.018 18.477 1.00 0.00 N < ATOM 204 CA ALA A 21 6.936 22.671 19.487 1.00 0.00 C < ATOM 205 C ALA A 21 7.540 22.514 20.877 1.00 0.00 C < ATOM 206 O ALA A 21 7.511 23.442 21.685 1.00 0.00 O < ATOM 207 CB ALA A 21 5.522 22.110 19.459 1.00 0.00 C < ATOM 208 H ALA A 21 7.381 21.238 17.960 1.00 0.00 H < ATOM 209 HA ALA A 21 6.898 23.736 19.257 1.00 0.00 H < ATOM 210 1HB ALA A 21 4.918 22.607 20.219 1.00 0.00 H < ATOM 211 2HB ALA A 21 5.082 22.281 18.477 1.00 0.00 H < ATOM 212 3HB ALA A 21 5.551 21.041 19.662 1.00 0.00 H < ATOM 213 N ALA A 22 8.088 21.335 21.149 1.00 0.00 N < ATOM 214 CA ALA A 22 8.762 21.077 22.416 1.00 0.00 C < ATOM 215 C ALA A 22 10.001 21.949 22.568 1.00 0.00 C < ATOM 216 O ALA A 22 10.281 22.462 23.651 1.00 0.00 O < ATOM 217 CB ALA A 22 9.133 19.605 22.529 1.00 0.00 C < ATOM 218 H ALA A 22 8.037 20.598 20.460 1.00 0.00 H < ATOM 219 HA ALA A 22 8.074 21.330 23.223 1.00 0.00 H < ATOM 220 1HB ALA A 22 9.635 19.429 23.480 1.00 0.00 H < ATOM 221 2HB ALA A 22 8.230 18.997 22.476 1.00 0.00 H < ATOM 222 3HB ALA A 22 9.800 19.335 21.711 1.00 0.00 H < ATOM 223 N ALA A 23 10.742 22.112 21.477 1.00 0.00 N < ATOM 224 CA ALA A 23 11.935 22.950 21.479 1.00 0.00 C < ATOM 225 C ALA A 23 11.580 24.414 21.706 1.00 0.00 C < ATOM 226 O ALA A 23 12.234 25.107 22.484 1.00 0.00 O < ATOM 227 CB ALA A 23 12.699 22.787 20.173 1.00 0.00 C < ATOM 228 H ALA A 23 10.470 21.644 20.624 1.00 0.00 H < ATOM 229 HA ALA A 23 12.572 22.629 22.303 1.00 0.00 H < ATOM 230 1HB ALA A 23 13.587 23.419 20.189 1.00 0.00 H < ATOM 231 2HB ALA A 23 12.996 21.745 20.053 1.00 0.00 H < ATOM 232 3HB ALA A 23 12.061 23.080 19.340 1.00 0.00 H < ATOM 233 N ALA A 24 10.541 24.878 21.021 1.00 0.00 N < ATOM 234 CA ALA A 24 10.095 26.260 21.149 1.00 0.00 C < ATOM 235 C ALA A 24 8.738 26.465 20.487 1.00 0.00 C < ATOM 236 O ALA A 24 8.402 25.787 19.516 1.00 0.00 O < ATOM 237 OXT ALA A 24 7.983 27.297 20.910 1.00 0.00 O < ATOM 238 CB ALA A 24 11.125 27.207 20.550 1.00 0.00 C < ATOM 239 H ALA A 24 10.046 24.258 20.396 1.00 0.00 H < ATOM 240 HA ALA A 24 9.985 26.484 22.211 1.00 0.00 H < ATOM 241 1HB ALA A 24 10.777 28.235 20.654 1.00 0.00 H < ATOM 242 2HB ALA A 24 12.074 27.090 21.073 1.00 0.00 H < ATOM 243 3HB ALA A 24 11.261 26.975 19.495 1.00 0.00 H --- > ATOM 53 N ALA A 6 3.141 6.805 2.531 1.00 0.00 N > ATOM 54 CA ALA A 6 2.865 8.236 2.575 1.00 0.00 C > ATOM 55 C ALA A 6 2.277 8.643 3.921 1.00 0.00 C > ATOM 56 O ALA A 6 2.630 9.685 4.473 1.00 0.00 O > ATOM 57 CB ALA A 6 1.923 8.629 1.446 1.00 0.00 C > ATOM 58 H ALA A 6 2.645 6.229 1.867 1.00 0.00 H > ATOM 59 HA ALA A 6 3.808 8.767 2.448 1.00 0.00 H > ATOM 60 1HB ALA A 6 1.726 9.700 1.493 1.00 0.00 H > ATOM 61 2HB ALA A 6 2.382 8.385 0.488 1.00 0.00 H > ATOM 62 3HB ALA A 6 0.986 8.084 1.549 1.00 0.00 H > ATOM 63 N ALA A 7 1.379 7.815 4.443 1.00 0.00 N > ATOM 64 CA ALA A 7 0.788 8.053 5.754 1.00 0.00 C > ATOM 65 C ALA A 7 1.846 8.018 6.850 1.00 0.00 C > ATOM 66 O ALA A 7 1.824 8.830 7.775 1.00 0.00 O > ATOM 67 CB ALA A 7 -0.302 7.031 6.038 1.00 0.00 C > ATOM 68 H ALA A 7 1.098 6.999 3.918 1.00 0.00 H > ATOM 69 HA ALA A 7 0.346 9.049 5.750 1.00 0.00 H > ATOM 70 1HB ALA A 7 -0.733 7.222 7.021 1.00 0.00 H > ATOM 71 2HB ALA A 7 -1.080 7.108 5.279 1.00 0.00 H > ATOM 72 3HB ALA A 7 0.125 6.029 6.019 1.00 0.00 H > ATOM 73 N ALA A 8 2.773 7.071 6.740 1.00 0.00 N > ATOM 74 CA ALA A 8 3.877 6.967 7.686 1.00 0.00 C > ATOM 75 C ALA A 8 4.764 8.204 7.636 1.00 0.00 C > ATOM 76 O ALA A 8 5.210 8.702 8.670 1.00 0.00 O > ATOM 77 CB ALA A 8 4.698 5.717 7.406 1.00 0.00 C > ATOM 78 H ALA A 8 2.710 6.407 5.982 1.00 0.00 H > ATOM 79 HA ALA A 8 3.458 6.897 8.690 1.00 0.00 H > ATOM 80 1HB ALA A 8 5.519 5.653 8.121 1.00 0.00 H > ATOM 81 2HB ALA A 8 4.063 4.835 7.503 1.00 0.00 H > ATOM 82 3HB ALA A 8 5.100 5.764 6.396 1.00 0.00 H > ATOM 83 N ALA A 9 5.016 8.697 6.428 1.00 0.00 N > ATOM 84 CA ALA A 9 5.798 9.914 6.245 1.00 0.00 C > ATOM 85 C ALA A 9 5.104 11.115 6.877 1.00 0.00 C > ATOM 86 O ALA A 9 5.749 11.960 7.497 1.00 0.00 O > ATOM 87 CB ALA A 9 6.047 10.166 4.766 1.00 0.00 C > ATOM 88 H ALA A 9 4.656 8.217 5.616 1.00 0.00 H > ATOM 89 HA ALA A 9 6.756 9.780 6.747 1.00 0.00 H > ATOM 90 1HB ALA A 9 6.632 11.078 4.645 1.00 0.00 H > ATOM 91 2HB ALA A 9 6.595 9.325 4.341 1.00 0.00 H > ATOM 92 3HB ALA A 9 5.094 10.276 4.250 1.00 0.00 H > ATOM 93 N ALA A 10 3.787 11.183 6.716 1.00 0.00 N > ATOM 94 CA ALA A 10 2.995 12.247 7.323 1.00 0.00 C > ATOM 95 C ALA A 10 3.067 12.187 8.843 1.00 0.00 C > ATOM 96 O ALA A 10 3.169 13.217 9.510 1.00 0.00 O > ATOM 97 CB ALA A 10 1.549 12.161 6.858 1.00 0.00 C > ATOM 98 H ALA A 10 3.323 10.481 6.158 1.00 0.00 H > ATOM 99 HA ALA A 10 3.412 13.203 7.006 1.00 0.00 H > ATOM 100 1HB ALA A 10 0.971 12.961 7.320 1.00 0.00 H > ATOM 101 2HB ALA A 10 1.508 12.264 5.774 1.00 0.00 H > ATOM 102 3HB ALA A 10 1.131 11.198 7.147 1.00 0.00 H > ATOM 103 N ALA A 11 3.015 10.976 9.386 1.00 0.00 N > ATOM 104 CA ALA A 11 3.138 10.775 10.825 1.00 0.00 C > ATOM 105 C ALA A 11 4.502 11.227 11.330 1.00 0.00 C > ATOM 106 O ALA A 11 4.610 11.838 12.393 1.00 0.00 O > ATOM 107 CB ALA A 11 2.900 9.314 11.179 1.00 0.00 C > ATOM 108 H ALA A 11 2.886 10.173 8.787 1.00 0.00 H > ATOM 109 HA ALA A 11 2.380 11.385 11.318 1.00 0.00 H > ATOM 110 1HB ALA A 11 2.995 9.180 12.256 1.00 0.00 H > ATOM 111 2HB ALA A 11 1.898 9.022 10.864 1.00 0.00 H > ATOM 112 3HB ALA A 11 3.636 8.693 10.670 1.00 0.00 H > ATOM 113 N ALA A 12 5.542 10.922 10.561 1.00 0.00 N > ATOM 114 CA ALA A 12 6.895 11.351 10.897 1.00 0.00 C > ATOM 115 C ALA A 12 7.007 12.870 10.895 1.00 0.00 C > ATOM 116 O ALA A 12 7.656 13.455 11.763 1.00 0.00 O > ATOM 117 CB ALA A 12 7.899 10.745 9.927 1.00 0.00 C > ATOM 118 H ALA A 12 5.392 10.380 9.723 1.00 0.00 H > ATOM 119 HA ALA A 12 7.121 11.000 11.904 1.00 0.00 H > ATOM 120 1HB ALA A 12 8.904 11.074 10.191 1.00 0.00 H > ATOM 121 2HB ALA A 12 7.847 9.658 9.982 1.00 0.00 H > ATOM 122 3HB ALA A 12 7.666 11.068 8.914 1.00 0.00 H > ATOM 123 N ALA A 13 6.372 13.504 9.916 1.00 0.00 N > ATOM 124 CA ALA A 13 6.347 14.960 9.835 1.00 0.00 C > ATOM 125 C ALA A 13 5.638 15.566 11.039 1.00 0.00 C > ATOM 126 O ALA A 13 6.076 16.580 11.584 1.00 0.00 O > ATOM 127 CB ALA A 13 5.676 15.408 8.545 1.00 0.00 C > ATOM 128 H ALA A 13 5.894 12.964 9.209 1.00 0.00 H > ATOM 129 HA ALA A 13 7.377 15.317 9.839 1.00 0.00 H > ATOM 130 1HB ALA A 13 5.665 16.497 8.499 1.00 0.00 H > ATOM 131 2HB ALA A 13 6.228 15.014 7.692 1.00 0.00 H > ATOM 132 3HB ALA A 13 4.653 15.034 8.519 1.00 0.00 H > ATOM 133 N ALA A 14 4.541 14.940 11.450 1.00 0.00 N > ATOM 134 CA ALA A 14 3.804 15.380 12.629 1.00 0.00 C > ATOM 135 C ALA A 14 4.656 15.263 13.886 1.00 0.00 C > ATOM 136 O ALA A 14 4.632 16.142 14.748 1.00 0.00 O > ATOM 137 CB ALA A 14 2.522 14.575 12.783 1.00 0.00 C > ATOM 138 H ALA A 14 4.208 14.139 10.933 1.00 0.00 H > ATOM 139 HA ALA A 14 3.548 16.431 12.496 1.00 0.00 H > ATOM 140 1HB ALA A 14 1.983 14.915 13.668 1.00 0.00 H > ATOM 141 2HB ALA A 14 1.896 14.715 11.901 1.00 0.00 H > ATOM 142 3HB ALA A 14 2.765 13.520 12.891 1.00 0.00 H > ATOM 143 N ALA A 15 5.409 14.173 13.986 1.00 0.00 N > ATOM 144 CA ALA A 15 6.317 13.968 15.108 1.00 0.00 C > ATOM 145 C ALA A 15 7.404 15.036 15.138 1.00 0.00 C > ATOM 146 O ALA A 15 7.765 15.538 16.203 1.00 0.00 O > ATOM 147 CB ALA A 15 6.941 12.582 15.039 1.00 0.00 C > ATOM 148 H ALA A 15 5.350 13.467 13.266 1.00 0.00 H > ATOM 149 HA ALA A 15 5.742 14.051 16.029 1.00 0.00 H > ATOM 150 1HB ALA A 15 7.617 12.444 15.883 1.00 0.00 H > ATOM 151 2HB ALA A 15 6.155 11.827 15.077 1.00 0.00 H > ATOM 152 3HB ALA A 15 7.497 12.479 14.109 1.00 0.00 H > ATOM 153 N ALA A 16 7.921 15.380 13.964 1.00 0.00 N > ATOM 154 CA ALA A 16 8.922 16.433 13.847 1.00 0.00 C > ATOM 155 C ALA A 16 8.360 17.779 14.286 1.00 0.00 C > ATOM 156 O ALA A 16 9.038 18.557 14.957 1.00 0.00 O > ATOM 157 CB ALA A 16 9.439 16.517 12.418 1.00 0.00 C > ATOM 158 H ALA A 16 7.614 14.899 13.131 1.00 0.00 H > ATOM 159 HA ALA A 16 9.753 16.187 14.508 1.00 0.00 H > ATOM 160 1HB ALA A 16 10.185 17.308 12.346 1.00 0.00 H > ATOM 161 2HB ALA A 16 9.891 15.565 12.138 1.00 0.00 H > ATOM 162 3HB ALA A 16 8.612 16.737 11.745 1.00 0.00 H > ATOM 163 N ALA A 17 7.116 18.048 13.903 1.00 0.00 N > ATOM 164 CA ALA A 17 6.437 19.273 14.310 1.00 0.00 C > ATOM 165 C ALA A 17 6.262 19.329 15.822 1.00 0.00 C > ATOM 166 O ALA A 17 6.437 20.380 16.438 1.00 0.00 O > ATOM 167 CB ALA A 17 5.088 19.386 13.616 1.00 0.00 C > ATOM 168 H ALA A 17 6.628 17.387 13.315 1.00 0.00 H > ATOM 169 HA ALA A 17 7.058 20.118 14.014 1.00 0.00 H > ATOM 170 1HB ALA A 17 4.593 20.305 13.930 1.00 0.00 H > ATOM 171 2HB ALA A 17 5.234 19.403 12.536 1.00 0.00 H > ATOM 172 3HB ALA A 17 4.468 18.531 13.884 1.00 0.00 H > ATOM 173 N ALA A 18 5.914 18.192 16.415 1.00 0.00 N > ATOM 174 CA ALA A 18 5.776 18.094 17.863 1.00 0.00 C > ATOM 175 C ALA A 18 7.103 18.358 18.562 1.00 0.00 C > ATOM 176 O ALA A 18 7.150 19.032 19.591 1.00 0.00 O > ATOM 177 CB ALA A 18 5.236 16.726 18.252 1.00 0.00 C > ATOM 178 H ALA A 18 5.741 17.374 15.848 1.00 0.00 H > ATOM 179 HA ALA A 18 5.069 18.858 18.188 1.00 0.00 H > ATOM 180 1HB ALA A 18 5.139 16.668 19.337 1.00 0.00 H > ATOM 181 2HB ALA A 18 4.260 16.575 17.792 1.00 0.00 H > ATOM 182 3HB ALA A 18 5.922 15.953 17.909 1.00 0.00 H > ATOM 183 N ALA A 19 8.180 17.824 17.997 1.00 0.00 N > ATOM 184 CA ALA A 19 9.518 18.052 18.530 1.00 0.00 C > ATOM 185 C ALA A 19 9.893 19.527 18.463 1.00 0.00 C > ATOM 186 O ALA A 19 10.492 20.068 19.393 1.00 0.00 O > ATOM 187 CB ALA A 19 10.539 17.213 17.776 1.00 0.00 C > ATOM 188 H ALA A 19 8.070 17.244 17.178 1.00 0.00 H > ATOM 189 HA ALA A 19 9.521 17.754 19.578 1.00 0.00 H > ATOM 190 1HB ALA A 19 11.533 17.394 18.185 1.00 0.00 H > ATOM 191 2HB ALA A 19 10.291 16.156 17.882 1.00 0.00 H > ATOM 192 3HB ALA A 19 10.526 17.484 16.722 1.00 0.00 H > ATOM 193 N ALA A 20 9.537 20.173 17.358 1.00 0.00 N > ATOM 194 CA ALA A 20 9.779 21.602 17.195 1.00 0.00 C > ATOM 195 C ALA A 20 9.008 22.413 18.228 1.00 0.00 C > ATOM 196 O ALA A 20 9.524 23.385 18.779 1.00 0.00 O > ATOM 197 CB ALA A 20 9.405 22.045 15.788 1.00 0.00 C > ATOM 198 H ALA A 20 9.088 19.662 16.612 1.00 0.00 H > ATOM 199 HA ALA A 20 10.842 21.785 17.352 1.00 0.00 H > ATOM 200 1HB ALA A 20 9.592 23.114 15.681 1.00 0.00 H > ATOM 201 2HB ALA A 20 10.007 21.498 15.062 1.00 0.00 H > ATOM 202 3HB ALA A 20 8.350 21.842 15.611 1.00 0.00 H > ATOM 203 N ALA A 21 7.769 22.008 18.486 1.00 0.00 N > ATOM 204 CA ALA A 21 6.945 22.660 19.497 1.00 0.00 C > ATOM 205 C ALA A 21 7.550 22.502 20.886 1.00 0.00 C > ATOM 206 O ALA A 21 7.521 23.429 21.696 1.00 0.00 O > ATOM 207 CB ALA A 21 5.531 22.100 19.469 1.00 0.00 C > ATOM 208 H ALA A 21 7.389 21.229 17.969 1.00 0.00 H > ATOM 209 HA ALA A 21 6.908 23.725 19.268 1.00 0.00 H > ATOM 210 1HB ALA A 21 4.928 22.596 20.229 1.00 0.00 H > ATOM 211 2HB ALA A 21 5.090 22.272 18.487 1.00 0.00 H > ATOM 212 3HB ALA A 21 5.559 21.030 19.670 1.00 0.00 H > ATOM 213 N ALA A 22 8.098 21.322 21.157 1.00 0.00 N > ATOM 214 CA ALA A 22 8.771 21.062 22.424 1.00 0.00 C > ATOM 215 C ALA A 22 10.011 21.934 22.576 1.00 0.00 C > ATOM 216 O ALA A 22 10.292 22.446 23.660 1.00 0.00 O > ATOM 217 CB ALA A 22 9.142 19.591 22.535 1.00 0.00 C > ATOM 218 H ALA A 22 8.046 20.586 20.467 1.00 0.00 H > ATOM 219 HA ALA A 22 8.084 21.315 23.231 1.00 0.00 H > ATOM 220 1HB ALA A 22 9.644 19.413 23.486 1.00 0.00 H > ATOM 221 2HB ALA A 22 8.238 18.983 22.482 1.00 0.00 H > ATOM 222 3HB ALA A 22 9.808 19.321 21.717 1.00 0.00 H > ATOM 223 N ALA A 23 10.751 22.098 21.485 1.00 0.00 N > ATOM 224 CA ALA A 23 11.945 22.935 21.488 1.00 0.00 C > ATOM 225 C ALA A 23 11.591 24.399 21.716 1.00 0.00 C > ATOM 226 O ALA A 23 12.246 25.091 22.495 1.00 0.00 O > ATOM 227 CB ALA A 23 12.708 22.773 20.181 1.00 0.00 C > ATOM 228 H ALA A 23 10.479 21.631 20.632 1.00 0.00 H > ATOM 229 HA ALA A 23 12.583 22.613 22.311 1.00 0.00 H > ATOM 230 1HB ALA A 23 13.597 23.404 20.198 1.00 0.00 H > ATOM 231 2HB ALA A 23 13.005 21.731 20.060 1.00 0.00 H > ATOM 232 3HB ALA A 23 12.070 23.067 19.349 1.00 0.00 H > ATOM 233 N ALA A 24 10.551 24.865 21.032 1.00 0.00 N > ATOM 234 CA ALA A 24 10.106 26.247 21.162 1.00 0.00 C > ATOM 235 C ALA A 24 8.750 26.453 20.500 1.00 0.00 C > ATOM 236 O ALA A 24 8.412 25.776 19.529 1.00 0.00 O > ATOM 237 OXT ALA A 24 7.995 27.284 20.925 1.00 0.00 O > ATOM 238 CB ALA A 24 11.136 27.194 20.564 1.00 0.00 C > ATOM 239 H ALA A 24 10.057 24.245 20.406 1.00 0.00 H > ATOM 240 HA ALA A 24 9.997 26.469 22.224 1.00 0.00 H > ATOM 241 1HB ALA A 24 10.789 28.222 20.668 1.00 0.00 H > ATOM 242 2HB ALA A 24 12.085 27.076 21.086 1.00 0.00 H > ATOM 243 3HB ALA A 24 11.272 26.963 19.508 1.00 0.00 H 526,550c526,550 < pose -78.343 5.79884 45.6464 0.02256 -2.92353 0 -17.2427 0 0 0 0 -4.80109 1.12155 0 -4.90215 0 18.5698 -37.0534 < ALA:NtermProteinFull_1 -1.83938 0.18378 1.4725 0.00105 0.45276 0 0 0 0 0 0 0 0.04595 0 0 0 0.77374 1.09039 < ALA_2 -2.05168 0.22378 1.22491 0.00093 0.31011 0 0 0 0 0 0 -0.23621 0.01211 0 -0.22835 0 0.77374 0.02935 < ALA_3 -2.54609 0.22828 1.57257 0.00093 0.10737 0 0 0 0 0 0 -0.24365 0.03943 0 -0.23212 0 0.77374 -0.29953 < ALA_4 -3.27554 0.25973 1.98745 0.00092 0.06102 0 0 0 0 0 0 -0.21818 0.07358 0 -0.20697 0 0.77374 -0.54425 < ALA_5 -3.59145 0.23509 1.97508 0.00093 -0.20535 0 0 0 0 0 0 -0.22308 0.05952 0 -0.22772 0 0.77374 -1.20325 < ALA_6 -3.65238 0.25571 2.01832 0.00093 -0.28387 0 0 0 0 0 0 -0.2156 0.05668 0 -0.2239 0 0.77374 -1.27036 < ALA_7 -3.65451 0.251 2.02166 0.00093 -0.27093 0 0 0 0 0 0 -0.21877 0.05409 0 -0.22715 0 0.77374 -1.26993 < ALA_8 -3.65792 0.25594 2.02583 0.00093 -0.28052 0 0 0 0 0 0 -0.21766 0.05436 0 -0.22567 0 0.77374 -1.27097 < ALA_9 -3.65539 0.25423 2.02607 0.00093 -0.28013 0 0 0 0 0 0 -0.21843 0.0536 0 -0.22641 0 0.77374 -1.27179 < ALA_10 -3.65512 0.25507 2.02558 0.00093 -0.28137 0 0 0 0 0 0 -0.21813 0.05487 0 -0.22586 0 0.77374 -1.27029 < ALA_11 -3.65337 0.25392 2.02435 0.00093 -0.27997 0 0 0 0 0 0 -0.21873 0.05396 0 -0.22644 0 0.77374 -1.27162 < ALA_12 -3.6548 0.25504 2.02541 0.00093 -0.28073 0 0 0 0 0 0 -0.21787 0.05423 0 -0.22573 0 0.77374 -1.26977 < ALA_13 -3.65458 0.25412 2.02511 0.00093 -0.2807 0 0 0 0 0 0 -0.21876 0.05477 0 -0.2262 0 0.77374 -1.27157 < ALA_14 -3.65422 0.25441 2.02476 0.00093 -0.28097 0 0 0 0 0 0 -0.21827 0.05406 0 -0.22623 0 0.77374 -1.2718 < ALA_15 -3.65361 0.25442 2.02454 0.00093 -0.28032 0 0 0 0 0 0 -0.21852 0.05459 0 -0.22588 0 0.77374 -1.27011 < ALA_16 -3.65387 0.25403 2.02445 0.00093 -0.27966 0 0 0 0 0 0 -0.21833 0.05423 0 -0.22608 0 0.77374 -1.27056 < ALA_17 -3.65497 0.25496 2.02604 0.00093 -0.27924 0 0 0 0 0 0 -0.2175 0.05504 0 -0.22583 0 0.77374 -1.26682 < ALA_18 -3.65844 0.25494 2.02789 0.00093 -0.27554 0 0 0 0 0 0 -0.21681 0.05305 0 -0.22609 0 0.77374 -1.26632 < ALA_19 -3.66302 0.25779 2.03177 0.00093 -0.27867 0 0 0 0 0 0 -0.21868 0.05427 0 -0.22685 0 0.77374 -1.26872 < ALA_20 -3.86635 0.31339 2.34782 0.00093 -0.01244 0 0 0 0 0 0 -0.22194 0.0488 0 -0.22686 0 0.77374 -0.84291 < ALA_21 -3.40797 0.23697 2.21045 0.00093 0.10148 0 0 0 0 0 0 -0.24285 0.06492 0 -0.22722 0 0.77374 -0.48955 < ALA_22 -2.44597 0.20708 1.42855 0.00093 0.06855 0 0 0 0 0 0 -0.22238 0.01528 0 -0.21567 0 0.77374 -0.38988 < ALA_23 -2.04405 0.16872 1.1988 0.00091 -0.10961 0 0 0 0 0 0 -0.14075 0.00015 0 -0.1729 0 0.77374 -0.32499 < ALA:CtermProteinFull_24 -2.09836 0.17643 1.87645 0.00113 0.21519 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.94459 --- > pose -78.3421 5.79787 45.6457 0.02256 -2.92321 0 -17.2425 0 0 0 0 -4.80101 1.12118 0 -4.90209 0 18.5698 -37.0538 > ALA:NtermProteinFull_1 -1.83941 0.18361 1.47252 0.00105 0.45283 0 0 0 0 0 0 0 0.04588 0 0 0 0.77374 1.09021 > ALA_2 -2.05166 0.22358 1.22496 0.00093 0.31022 0 0 0 0 0 0 -0.23622 0.01213 0 -0.22836 0 0.77374 0.02933 > ALA_3 -2.54618 0.22831 1.57265 0.00093 0.10735 0 0 0 0 0 0 -0.24358 0.0394 0 -0.2321 0 0.77374 -0.29947 > ALA_4 -3.27554 0.25966 1.98737 0.00092 0.06101 0 0 0 0 0 0 -0.21822 0.07365 0 -0.20699 0 0.77374 -0.5444 > ALA_5 -3.59143 0.23508 1.97501 0.00093 -0.20526 0 0 0 0 0 0 -0.22307 0.05953 0 -0.22773 0 0.77374 -1.2032 > ALA_6 -3.65207 0.2557 2.01814 0.00093 -0.28375 0 0 0 0 0 0 -0.21558 0.05669 0 -0.22388 0 0.77374 -1.2701 > ALA_7 -3.65454 0.25103 2.02172 0.00093 -0.27106 0 0 0 0 0 0 -0.21881 0.05395 0 -0.22716 0 0.77374 -1.27019 > ALA_8 -3.65821 0.25601 2.02607 0.00093 -0.28068 0 0 0 0 0 0 -0.2177 0.05428 0 -0.22571 0 0.77374 -1.27128 > ALA_9 -3.65513 0.25419 2.0259 0.00093 -0.27998 0 0 0 0 0 0 -0.21839 0.0537 0 -0.22641 0 0.77374 -1.27145 > ALA_10 -3.65473 0.25497 2.02531 0.00093 -0.28118 0 0 0 0 0 0 -0.21808 0.0549 0 -0.22582 0 0.77374 -1.26996 > ALA_11 -3.65361 0.2539 2.0245 0.00093 -0.28009 0 0 0 0 0 0 -0.21873 0.05386 0 -0.22643 0 0.77374 -1.27194 > ALA_12 -3.65494 0.25502 2.02549 0.00093 -0.2808 0 0 0 0 0 0 -0.21787 0.05425 0 -0.22574 0 0.77374 -1.26992 > ALA_13 -3.65413 0.25406 2.02483 0.00093 -0.28054 0 0 0 0 0 0 -0.21873 0.0548 0 -0.22619 0 0.77374 -1.27122 > ALA_14 -3.65412 0.25443 2.02474 0.00093 -0.28097 0 0 0 0 0 0 -0.21828 0.05391 0 -0.22622 0 0.77374 -1.27185 > ALA_15 -3.65394 0.25448 2.0248 0.00093 -0.28053 0 0 0 0 0 0 -0.21855 0.0545 0 -0.22592 0 0.77374 -1.27049 > ALA_16 -3.65375 0.25403 2.02438 0.00093 -0.2796 0 0 0 0 0 0 -0.21831 0.05432 0 -0.22609 0 0.77374 -1.27036 > ALA_17 -3.6545 0.25486 2.02572 0.00093 -0.279 0 0 0 0 0 0 -0.21748 0.05511 0 -0.22581 0 0.77374 -1.26643 > ALA_18 -3.65859 0.25496 2.028 0.00093 -0.27562 0 0 0 0 0 0 -0.21677 0.05292 0 -0.22605 0 0.77374 -1.26648 > ALA_19 -3.66342 0.25781 2.03206 0.00093 -0.27889 0 0 0 0 0 0 -0.21869 0.05424 0 -0.22687 0 0.77374 -1.26909 > ALA_20 -3.86619 0.31328 2.34764 0.00093 -0.0124 0 0 0 0 0 0 -0.22192 0.04892 0 -0.22686 0 0.77374 -0.84287 > ALA_21 -3.40766 0.23689 2.21022 0.00093 0.1016 0 0 0 0 0 0 -0.24286 0.06492 0 -0.2272 0 0.77374 -0.48943 > ALA_22 -2.44615 0.20709 1.42865 0.00093 0.06851 0 0 0 0 0 0 -0.22239 0.01518 0 -0.21564 0 0.77374 -0.39008 > ALA_23 -2.04409 0.16867 1.19886 0.00091 -0.10969 0 0 0 0 0 0 -0.14078 0.00015 0 -0.17291 0 0.77374 -0.32513 > ALA:CtermProteinFull_24 -2.0981 0.17625 1.87619 0.00113 0.21531 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.94452 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0014.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0014.pdb 13c13 < ATOM 4 O ALA A 1 2.480 1.913 1.025 1.00 0.00 O --- > ATOM 4 O ALA A 1 1.636 2.241 0.838 1.00 0.00 O 22,252c22,252 < ATOM 13 N ALA A 2 1.946 2.074 -1.155 1.00 0.00 N < ATOM 14 CA ALA A 2 2.497 3.415 -1.307 1.00 0.00 C < ATOM 15 C ALA A 2 1.778 4.411 -0.405 1.00 0.00 C < ATOM 16 O ALA A 2 2.403 5.293 0.183 1.00 0.00 O < ATOM 17 CB ALA A 2 2.412 3.861 -2.760 1.00 0.00 C < ATOM 18 H ALA A 2 1.507 1.629 -1.949 1.00 0.00 H < ATOM 19 HA ALA A 2 3.544 3.388 -1.007 1.00 0.00 H < ATOM 20 1HB ALA A 2 2.827 4.864 -2.857 1.00 0.00 H < ATOM 21 2HB ALA A 2 2.979 3.172 -3.386 1.00 0.00 H < ATOM 22 3HB ALA A 2 1.371 3.867 -3.078 1.00 0.00 H < ATOM 23 N ALA A 3 0.462 4.263 -0.301 1.00 0.00 N < ATOM 24 CA ALA A 3 -0.340 5.130 0.554 1.00 0.00 C < ATOM 25 C ALA A 3 0.059 4.984 2.017 1.00 0.00 C < ATOM 26 O ALA A 3 0.106 5.966 2.759 1.00 0.00 O < ATOM 27 CB ALA A 3 -1.821 4.826 0.377 1.00 0.00 C < ATOM 28 H ALA A 3 0.005 3.532 -0.827 1.00 0.00 H < ATOM 29 HA ALA A 3 -0.154 6.163 0.259 1.00 0.00 H < ATOM 30 1HB ALA A 3 -2.406 5.482 1.022 1.00 0.00 H < ATOM 31 2HB ALA A 3 -2.104 4.992 -0.662 1.00 0.00 H < ATOM 32 3HB ALA A 3 -2.013 3.788 0.645 1.00 0.00 H < ATOM 33 N ALA A 4 0.347 3.753 2.426 1.00 0.00 N < ATOM 34 CA ALA A 4 0.803 3.485 3.785 1.00 0.00 C < ATOM 35 C ALA A 4 2.156 4.133 4.049 1.00 0.00 C < ATOM 36 O ALA A 4 2.395 4.675 5.128 1.00 0.00 O < ATOM 37 CB ALA A 4 0.878 1.985 4.032 1.00 0.00 C < ATOM 38 H ALA A 4 0.246 2.984 1.780 1.00 0.00 H < ATOM 39 HA ALA A 4 0.083 3.921 4.477 1.00 0.00 H < ATOM 40 1HB ALA A 4 1.220 1.801 5.050 1.00 0.00 H < ATOM 41 2HB ALA A 4 -0.110 1.544 3.896 1.00 0.00 H < ATOM 42 3HB ALA A 4 1.576 1.535 3.328 1.00 0.00 H < ATOM 43 N ALA A 5 3.039 4.073 3.058 1.00 0.00 N < ATOM 44 CA ALA A 5 4.340 4.724 3.151 1.00 0.00 C < ATOM 45 C ALA A 5 4.192 6.234 3.290 1.00 0.00 C < ATOM 46 O ALA A 5 4.914 6.871 4.057 1.00 0.00 O < ATOM 47 CB ALA A 5 5.190 4.386 1.935 1.00 0.00 C < ATOM 48 H ALA A 5 2.803 3.564 2.219 1.00 0.00 H < ATOM 49 HA ALA A 5 4.841 4.354 4.046 1.00 0.00 H < ATOM 50 1HB ALA A 5 6.159 4.879 2.019 1.00 0.00 H < ATOM 51 2HB ALA A 5 5.336 3.307 1.882 1.00 0.00 H < ATOM 52 3HB ALA A 5 4.686 4.728 1.033 1.00 0.00 H < ATOM 53 N ALA A 6 3.252 6.802 2.542 1.00 0.00 N < ATOM 54 CA ALA A 6 2.956 8.227 2.635 1.00 0.00 C < ATOM 55 C ALA A 6 2.450 8.595 4.024 1.00 0.00 C < ATOM 56 O ALA A 6 2.820 9.632 4.576 1.00 0.00 O < ATOM 57 CB ALA A 6 1.938 8.627 1.578 1.00 0.00 C < ATOM 58 H ALA A 6 2.728 6.233 1.893 1.00 0.00 H < ATOM 59 HA ALA A 6 3.881 8.777 2.460 1.00 0.00 H < ATOM 60 1HB ALA A 6 1.727 9.693 1.660 1.00 0.00 H < ATOM 61 2HB ALA A 6 2.338 8.411 0.587 1.00 0.00 H < ATOM 62 3HB ALA A 6 1.018 8.064 1.728 1.00 0.00 H < ATOM 63 N ALA A 7 1.602 7.740 4.585 1.00 0.00 N < ATOM 64 CA ALA A 7 1.100 7.937 5.940 1.00 0.00 C < ATOM 65 C ALA A 7 2.233 7.902 6.958 1.00 0.00 C < ATOM 66 O ALA A 7 2.257 8.692 7.901 1.00 0.00 O < ATOM 67 CB ALA A 7 0.055 6.883 6.276 1.00 0.00 C < ATOM 68 H ALA A 7 1.297 6.933 4.060 1.00 0.00 H < ATOM 69 HA ALA A 7 0.636 8.922 5.990 1.00 0.00 H < ATOM 70 1HB ALA A 7 -0.310 7.042 7.290 1.00 0.00 H < ATOM 71 2HB ALA A 7 -0.776 6.958 5.575 1.00 0.00 H < ATOM 72 3HB ALA A 7 0.501 5.892 6.203 1.00 0.00 H < ATOM 73 N ALA A 8 3.170 6.981 6.761 1.00 0.00 N < ATOM 74 CA ALA A 8 4.345 6.888 7.619 1.00 0.00 C < ATOM 75 C ALA A 8 5.189 8.153 7.537 1.00 0.00 C < ATOM 76 O ALA A 8 5.697 8.638 8.548 1.00 0.00 O < ATOM 77 CB ALA A 8 5.179 5.671 7.245 1.00 0.00 C < ATOM 78 H ALA A 8 3.066 6.328 5.997 1.00 0.00 H < ATOM 79 HA ALA A 8 4.005 6.779 8.649 1.00 0.00 H < ATOM 80 1HB ALA A 8 6.053 5.615 7.895 1.00 0.00 H < ATOM 81 2HB ALA A 8 4.580 4.768 7.365 1.00 0.00 H < ATOM 82 3HB ALA A 8 5.503 5.757 6.209 1.00 0.00 H < ATOM 83 N ALA A 9 5.334 8.685 6.328 1.00 0.00 N < ATOM 84 CA ALA A 9 6.056 9.934 6.122 1.00 0.00 C < ATOM 85 C ALA A 9 5.375 11.090 6.844 1.00 0.00 C < ATOM 86 O ALA A 9 6.039 11.941 7.437 1.00 0.00 O < ATOM 87 CB ALA A 9 6.177 10.238 4.636 1.00 0.00 C < ATOM 88 H ALA A 9 4.933 8.211 5.531 1.00 0.00 H < ATOM 89 HA ALA A 9 7.056 9.821 6.541 1.00 0.00 H < ATOM 90 1HB ALA A 9 6.718 11.173 4.498 1.00 0.00 H < ATOM 91 2HB ALA A 9 6.717 9.430 4.142 1.00 0.00 H < ATOM 92 3HB ALA A 9 5.182 10.327 4.201 1.00 0.00 H < ATOM 93 N ALA A 10 4.048 11.114 6.792 1.00 0.00 N < ATOM 94 CA ALA A 10 3.272 12.124 7.501 1.00 0.00 C < ATOM 95 C ALA A 10 3.480 12.022 9.006 1.00 0.00 C < ATOM 96 O ALA A 10 3.598 13.035 9.696 1.00 0.00 O < ATOM 97 CB ALA A 10 1.794 11.992 7.161 1.00 0.00 C < ATOM 98 H ALA A 10 3.564 10.415 6.246 1.00 0.00 H < ATOM 99 HA ALA A 10 3.621 13.106 7.181 1.00 0.00 H < ATOM 100 1HB ALA A 10 1.228 12.753 7.698 1.00 0.00 H < ATOM 101 2HB ALA A 10 1.654 12.125 6.088 1.00 0.00 H < ATOM 102 3HB ALA A 10 1.441 11.004 7.452 1.00 0.00 H < ATOM 103 N ALA A 11 3.524 10.794 9.511 1.00 0.00 N < ATOM 104 CA ALA A 11 3.790 10.555 10.924 1.00 0.00 C < ATOM 105 C ALA A 11 5.173 11.058 11.317 1.00 0.00 C < ATOM 106 O ALA A 11 5.351 11.641 12.387 1.00 0.00 O < ATOM 107 CB ALA A 11 3.655 9.074 11.246 1.00 0.00 C < ATOM 108 H ALA A 11 3.370 10.005 8.899 1.00 0.00 H < ATOM 109 HA ALA A 11 3.054 11.111 11.506 1.00 0.00 H < ATOM 110 1HB ALA A 11 3.856 8.912 12.305 1.00 0.00 H < ATOM 111 2HB ALA A 11 2.643 8.742 11.014 1.00 0.00 H < ATOM 112 3HB ALA A 11 4.368 8.506 10.650 1.00 0.00 H < ATOM 113 N ALA A 12 6.150 10.830 10.446 1.00 0.00 N < ATOM 114 CA ALA A 12 7.504 11.322 10.668 1.00 0.00 C < ATOM 115 C ALA A 12 7.536 12.844 10.715 1.00 0.00 C < ATOM 116 O ALA A 12 8.236 13.435 11.538 1.00 0.00 O < ATOM 117 CB ALA A 12 8.439 10.807 9.583 1.00 0.00 C < ATOM 118 H ALA A 12 5.949 10.302 9.609 1.00 0.00 H < ATOM 119 HA ALA A 12 7.846 10.951 11.634 1.00 0.00 H < ATOM 120 1HB ALA A 12 9.446 11.183 9.762 1.00 0.00 H < ATOM 121 2HB ALA A 12 8.450 9.717 9.600 1.00 0.00 H < ATOM 122 3HB ALA A 12 8.092 11.151 8.610 1.00 0.00 H < ATOM 123 N ALA A 13 6.774 13.475 9.828 1.00 0.00 N < ATOM 124 CA ALA A 13 6.658 14.928 9.814 1.00 0.00 C < ATOM 125 C ALA A 13 6.047 15.445 11.110 1.00 0.00 C < ATOM 126 O ALA A 13 6.480 16.463 11.650 1.00 0.00 O < ATOM 127 CB ALA A 13 5.829 15.382 8.621 1.00 0.00 C < ATOM 128 H ALA A 13 6.262 12.934 9.146 1.00 0.00 H < ATOM 129 HA ALA A 13 7.660 15.347 9.727 1.00 0.00 H < ATOM 130 1HB ALA A 13 5.752 16.469 8.624 1.00 0.00 H < ATOM 131 2HB ALA A 13 6.310 15.055 7.699 1.00 0.00 H < ATOM 132 3HB ALA A 13 4.833 14.947 8.684 1.00 0.00 H < ATOM 133 N ALA A 14 5.037 14.738 11.605 1.00 0.00 N < ATOM 134 CA ALA A 14 4.410 15.082 12.876 1.00 0.00 C < ATOM 135 C ALA A 14 5.403 14.974 14.026 1.00 0.00 C < ATOM 136 O ALA A 14 5.420 15.815 14.925 1.00 0.00 O < ATOM 137 CB ALA A 14 3.205 14.189 13.132 1.00 0.00 C < ATOM 138 H ALA A 14 4.694 13.940 11.088 1.00 0.00 H < ATOM 139 HA ALA A 14 4.076 16.118 12.819 1.00 0.00 H < ATOM 140 1HB ALA A 14 2.748 14.459 14.084 1.00 0.00 H < ATOM 141 2HB ALA A 14 2.478 14.321 12.330 1.00 0.00 H < ATOM 142 3HB ALA A 14 3.524 13.149 13.164 1.00 0.00 H < ATOM 143 N ALA A 15 6.229 13.935 13.993 1.00 0.00 N < ATOM 144 CA ALA A 15 7.274 13.754 14.993 1.00 0.00 C < ATOM 145 C ALA A 15 8.279 14.898 14.953 1.00 0.00 C < ATOM 146 O ALA A 15 8.726 15.381 15.993 1.00 0.00 O < ATOM 147 CB ALA A 15 7.981 12.422 14.787 1.00 0.00 C < ATOM 148 H ALA A 15 6.131 13.252 13.255 1.00 0.00 H < ATOM 149 HA ALA A 15 6.805 13.756 15.977 1.00 0.00 H < ATOM 150 1HB ALA A 15 8.758 12.302 15.541 1.00 0.00 H < ATOM 151 2HB ALA A 15 7.259 11.610 14.876 1.00 0.00 H < ATOM 152 3HB ALA A 15 8.431 12.399 13.796 1.00 0.00 H < ATOM 153 N ALA A 16 8.631 15.328 13.746 1.00 0.00 N < ATOM 154 CA ALA A 16 9.529 16.463 13.568 1.00 0.00 C < ATOM 155 C ALA A 16 8.925 17.738 14.143 1.00 0.00 C < ATOM 156 O ALA A 16 9.620 18.537 14.769 1.00 0.00 O < ATOM 157 CB ALA A 16 9.858 16.651 12.094 1.00 0.00 C < ATOM 158 H ALA A 16 8.267 14.855 12.930 1.00 0.00 H < ATOM 159 HA ALA A 16 10.450 16.254 14.112 1.00 0.00 H < ATOM 160 1HB ALA A 16 10.529 17.503 11.978 1.00 0.00 H < ATOM 161 2HB ALA A 16 10.342 15.753 11.712 1.00 0.00 H < ATOM 162 3HB ALA A 16 8.941 16.834 11.537 1.00 0.00 H < ATOM 163 N ALA A 17 7.627 17.922 13.926 1.00 0.00 N < ATOM 164 CA ALA A 17 6.912 19.064 14.483 1.00 0.00 C < ATOM 165 C ALA A 17 6.929 19.034 16.006 1.00 0.00 C < ATOM 166 O ALA A 17 7.097 20.067 16.654 1.00 0.00 O < ATOM 167 CB ALA A 17 5.479 19.092 13.971 1.00 0.00 C < ATOM 168 H ALA A 17 7.123 17.254 13.360 1.00 0.00 H < ATOM 169 HA ALA A 17 7.420 19.972 14.160 1.00 0.00 H < ATOM 170 1HB ALA A 17 4.958 19.950 14.395 1.00 0.00 H < ATOM 171 2HB ALA A 17 5.483 19.172 12.883 1.00 0.00 H < ATOM 172 3HB ALA A 17 4.969 18.176 14.265 1.00 0.00 H < ATOM 173 N ALA A 18 6.754 17.845 16.572 1.00 0.00 N < ATOM 174 CA ALA A 18 6.821 17.667 18.017 1.00 0.00 C < ATOM 175 C ALA A 18 8.202 18.022 18.553 1.00 0.00 C < ATOM 176 O ALA A 18 8.328 18.647 19.606 1.00 0.00 O < ATOM 177 CB ALA A 18 6.459 16.238 18.393 1.00 0.00 C < ATOM 178 H ALA A 18 6.570 17.044 15.985 1.00 0.00 H < ATOM 179 HA ALA A 18 6.100 18.345 18.476 1.00 0.00 H < ATOM 180 1HB ALA A 18 6.514 16.121 19.475 1.00 0.00 H < ATOM 181 2HB ALA A 18 5.447 16.017 18.054 1.00 0.00 H < ATOM 182 3HB ALA A 18 7.157 15.550 17.918 1.00 0.00 H < ATOM 183 N ALA A 19 9.236 17.620 17.821 1.00 0.00 N < ATOM 184 CA ALA A 19 10.607 17.957 18.183 1.00 0.00 C < ATOM 185 C ALA A 19 10.830 19.463 18.157 1.00 0.00 C < ATOM 186 O ALA A 19 11.504 20.016 19.027 1.00 0.00 O < ATOM 187 CB ALA A 19 11.587 17.261 17.250 1.00 0.00 C < ATOM 188 H ALA A 19 9.067 17.068 16.993 1.00 0.00 H < ATOM 189 HA ALA A 19 10.783 17.610 19.202 1.00 0.00 H < ATOM 190 1HB ALA A 19 12.607 17.522 17.533 1.00 0.00 H < ATOM 191 2HB ALA A 19 11.456 16.181 17.323 1.00 0.00 H < ATOM 192 3HB ALA A 19 11.403 17.580 16.226 1.00 0.00 H < ATOM 193 N ALA A 20 10.261 20.123 17.155 1.00 0.00 N < ATOM 194 CA ALA A 20 10.338 21.576 17.052 1.00 0.00 C < ATOM 195 C ALA A 20 9.643 22.250 18.228 1.00 0.00 C < ATOM 196 O ALA A 20 10.118 23.260 18.746 1.00 0.00 O < ATOM 197 CB ALA A 20 9.731 22.047 15.738 1.00 0.00 C < ATOM 198 H ALA A 20 9.761 19.606 16.446 1.00 0.00 H < ATOM 199 HA ALA A 20 11.390 21.861 17.077 1.00 0.00 H < ATOM 200 1HB ALA A 20 9.797 23.133 15.676 1.00 0.00 H < ATOM 201 2HB ALA A 20 10.276 21.602 14.905 1.00 0.00 H < ATOM 202 3HB ALA A 20 8.687 21.743 15.691 1.00 0.00 H < ATOM 203 N ALA A 21 8.516 21.684 18.645 1.00 0.00 N < ATOM 204 CA ALA A 21 7.792 22.184 19.808 1.00 0.00 C < ATOM 205 C ALA A 21 8.616 22.025 21.079 1.00 0.00 C < ATOM 206 O ALA A 21 8.628 22.907 21.937 1.00 0.00 O < ATOM 207 CB ALA A 21 6.457 21.469 19.949 1.00 0.00 C < ATOM 208 H ALA A 21 8.150 20.887 18.144 1.00 0.00 H < ATOM 209 HA ALA A 21 7.609 23.249 19.660 1.00 0.00 H < ATOM 210 1HB ALA A 21 5.928 21.853 20.822 1.00 0.00 H < ATOM 211 2HB ALA A 21 5.856 21.641 19.056 1.00 0.00 H < ATOM 212 3HB ALA A 21 6.628 20.401 20.071 1.00 0.00 H < ATOM 213 N ALA A 22 9.303 20.893 21.195 1.00 0.00 N < ATOM 214 CA ALA A 22 10.143 20.623 22.355 1.00 0.00 C < ATOM 215 C ALA A 22 11.327 21.580 22.413 1.00 0.00 C < ATOM 216 O ALA A 22 11.628 22.148 23.463 1.00 0.00 O < ATOM 217 CB ALA A 22 10.630 19.181 22.332 1.00 0.00 C < ATOM 218 H ALA A 22 9.241 20.203 20.460 1.00 0.00 H < ATOM 219 HA ALA A 22 9.544 20.778 23.252 1.00 0.00 H < ATOM 220 1HB ALA A 22 11.257 18.995 23.204 1.00 0.00 H < ATOM 221 2HB ALA A 22 9.773 18.508 22.350 1.00 0.00 H < ATOM 222 3HB ALA A 22 11.209 19.007 21.426 1.00 0.00 H < ATOM 223 N ALA A 23 11.996 21.756 21.279 1.00 0.00 N < ATOM 224 CA ALA A 23 13.193 22.586 21.215 1.00 0.00 C < ATOM 225 C ALA A 23 13.796 22.577 19.817 1.00 0.00 C < ATOM 226 O ALA A 23 13.427 23.387 18.966 1.00 0.00 O < ATOM 227 CB ALA A 23 14.218 22.115 22.237 1.00 0.00 C < ATOM 228 H ALA A 23 11.666 21.303 20.438 1.00 0.00 H < ATOM 229 HA ALA A 23 12.906 23.611 21.449 1.00 0.00 H < ATOM 230 1HB ALA A 23 15.106 22.745 22.177 1.00 0.00 H < ATOM 231 2HB ALA A 23 13.792 22.183 23.238 1.00 0.00 H < ATOM 232 3HB ALA A 23 14.491 21.082 22.028 1.00 0.00 H < ATOM 233 N ALA A 24 14.725 21.656 19.585 1.00 0.00 N < ATOM 234 CA ALA A 24 15.395 21.551 18.294 1.00 0.00 C < ATOM 235 C ALA A 24 16.053 20.188 18.123 1.00 0.00 C < ATOM 236 O ALA A 24 16.472 19.565 19.098 1.00 0.00 O < ATOM 237 OXT ALA A 24 16.167 19.710 17.028 1.00 0.00 O < ATOM 238 CB ALA A 24 16.426 22.660 18.140 1.00 0.00 C < ATOM 239 H ALA A 24 14.974 21.012 20.321 1.00 0.00 H < ATOM 240 HA ALA A 24 14.642 21.659 17.512 1.00 0.00 H < ATOM 241 1HB ALA A 24 16.917 22.568 17.172 1.00 0.00 H < ATOM 242 2HB ALA A 24 15.932 23.629 18.206 1.00 0.00 H < ATOM 243 3HB ALA A 24 17.169 22.577 18.933 1.00 0.00 H --- > ATOM 13 N ALA A 2 2.899 1.704 -0.945 1.00 0.00 N > ATOM 14 CA ALA A 2 3.545 3.009 -1.022 1.00 0.00 C > ATOM 15 C ALA A 2 2.531 4.109 -1.308 1.00 0.00 C > ATOM 16 O ALA A 2 2.609 5.201 -0.745 1.00 0.00 O > ATOM 17 CB ALA A 2 4.631 3.000 -2.087 1.00 0.00 C > ATOM 18 H ALA A 2 3.134 0.998 -1.628 1.00 0.00 H > ATOM 19 HA ALA A 2 4.000 3.219 -0.054 1.00 0.00 H > ATOM 20 1HB ALA A 2 5.104 3.982 -2.132 1.00 0.00 H > ATOM 21 2HB ALA A 2 5.380 2.248 -1.837 1.00 0.00 H > ATOM 22 3HB ALA A 2 4.190 2.766 -3.054 1.00 0.00 H > ATOM 23 N ALA A 3 1.580 3.816 -2.188 1.00 0.00 N > ATOM 24 CA ALA A 3 0.527 4.767 -2.524 1.00 0.00 C > ATOM 25 C ALA A 3 -0.331 5.091 -1.308 1.00 0.00 C > ATOM 26 O ALA A 3 -0.741 6.235 -1.112 1.00 0.00 O > ATOM 27 CB ALA A 3 -0.338 4.223 -3.652 1.00 0.00 C > ATOM 28 H ALA A 3 1.586 2.911 -2.636 1.00 0.00 H > ATOM 29 HA ALA A 3 0.999 5.692 -2.855 1.00 0.00 H > ATOM 30 1HB ALA A 3 -1.120 4.945 -3.891 1.00 0.00 H > ATOM 31 2HB ALA A 3 0.279 4.052 -4.533 1.00 0.00 H > ATOM 32 3HB ALA A 3 -0.794 3.285 -3.340 1.00 0.00 H > ATOM 33 N ALA A 4 -0.600 4.077 -0.492 1.00 0.00 N > ATOM 34 CA ALA A 4 -1.356 4.264 0.740 1.00 0.00 C > ATOM 35 C ALA A 4 -0.599 5.150 1.721 1.00 0.00 C > ATOM 36 O ALA A 4 -1.189 6.002 2.386 1.00 0.00 O > ATOM 37 CB ALA A 4 -1.671 2.919 1.378 1.00 0.00 C > ATOM 38 H ALA A 4 -0.272 3.152 -0.732 1.00 0.00 H > ATOM 39 HA ALA A 4 -2.291 4.765 0.491 1.00 0.00 H > ATOM 40 1HB ALA A 4 -2.236 3.075 2.297 1.00 0.00 H > ATOM 41 2HB ALA A 4 -2.263 2.318 0.686 1.00 0.00 H > ATOM 42 3HB ALA A 4 -0.743 2.398 1.607 1.00 0.00 H > ATOM 43 N ALA A 5 0.711 4.944 1.807 1.00 0.00 N > ATOM 44 CA ALA A 5 1.564 5.778 2.646 1.00 0.00 C > ATOM 45 C ALA A 5 1.549 7.228 2.177 1.00 0.00 C > ATOM 46 O ALA A 5 1.520 8.152 2.990 1.00 0.00 O > ATOM 47 CB ALA A 5 2.987 5.240 2.655 1.00 0.00 C > ATOM 48 H ALA A 5 1.127 4.191 1.278 1.00 0.00 H > ATOM 49 HA ALA A 5 1.170 5.752 3.662 1.00 0.00 H > ATOM 50 1HB ALA A 5 3.612 5.873 3.285 1.00 0.00 H > ATOM 51 2HB ALA A 5 2.989 4.223 3.047 1.00 0.00 H > ATOM 52 3HB ALA A 5 3.381 5.237 1.640 1.00 0.00 H > ATOM 53 N ALA A 6 1.570 7.419 0.863 1.00 0.00 N > ATOM 54 CA ALA A 6 1.483 8.754 0.282 1.00 0.00 C > ATOM 55 C ALA A 6 0.158 9.421 0.628 1.00 0.00 C > ATOM 56 O ALA A 6 0.113 10.612 0.932 1.00 0.00 O > ATOM 57 CB ALA A 6 1.664 8.687 -1.228 1.00 0.00 C > ATOM 58 H ALA A 6 1.647 6.620 0.250 1.00 0.00 H > ATOM 59 HA ALA A 6 2.283 9.361 0.707 1.00 0.00 H > ATOM 60 1HB ALA A 6 1.596 9.691 -1.647 1.00 0.00 H > ATOM 61 2HB ALA A 6 2.640 8.262 -1.459 1.00 0.00 H > ATOM 62 3HB ALA A 6 0.884 8.061 -1.659 1.00 0.00 H > ATOM 63 N ALA A 7 -0.919 8.644 0.579 1.00 0.00 N > ATOM 64 CA ALA A 7 -2.238 9.139 0.958 1.00 0.00 C > ATOM 65 C ALA A 7 -2.270 9.556 2.422 1.00 0.00 C > ATOM 66 O ALA A 7 -2.864 10.575 2.775 1.00 0.00 O > ATOM 67 CB ALA A 7 -3.298 8.082 0.686 1.00 0.00 C > ATOM 68 H ALA A 7 -0.823 7.687 0.272 1.00 0.00 H > ATOM 69 HA ALA A 7 -2.455 10.021 0.354 1.00 0.00 H > ATOM 70 1HB ALA A 7 -4.277 8.466 0.973 1.00 0.00 H > ATOM 71 2HB ALA A 7 -3.303 7.837 -0.376 1.00 0.00 H > ATOM 72 3HB ALA A 7 -3.076 7.187 1.264 1.00 0.00 H > ATOM 73 N ALA A 8 -1.627 8.763 3.273 1.00 0.00 N > ATOM 74 CA ALA A 8 -1.519 9.086 4.690 1.00 0.00 C > ATOM 75 C ALA A 8 -0.754 10.386 4.902 1.00 0.00 C > ATOM 76 O ALA A 8 -1.122 11.204 5.746 1.00 0.00 O > ATOM 77 CB ALA A 8 -0.848 7.948 5.444 1.00 0.00 C > ATOM 78 H ALA A 8 -1.202 7.914 2.928 1.00 0.00 H > ATOM 79 HA ALA A 8 -2.527 9.224 5.084 1.00 0.00 H > ATOM 80 1HB ALA A 8 -0.775 8.204 6.501 1.00 0.00 H > ATOM 81 2HB ALA A 8 -1.438 7.038 5.331 1.00 0.00 H > ATOM 82 3HB ALA A 8 0.151 7.784 5.041 1.00 0.00 H > ATOM 83 N ALA A 9 0.313 10.571 4.133 1.00 0.00 N > ATOM 84 CA ALA A 9 1.091 11.803 4.184 1.00 0.00 C > ATOM 85 C ALA A 9 0.250 13.003 3.772 1.00 0.00 C > ATOM 86 O ALA A 9 0.342 14.074 4.372 1.00 0.00 O > ATOM 87 CB ALA A 9 2.322 11.689 3.297 1.00 0.00 C > ATOM 88 H ALA A 9 0.593 9.839 3.495 1.00 0.00 H > ATOM 89 HA ALA A 9 1.412 11.958 5.214 1.00 0.00 H > ATOM 90 1HB ALA A 9 2.893 12.617 3.346 1.00 0.00 H > ATOM 91 2HB ALA A 9 2.944 10.862 3.640 1.00 0.00 H > ATOM 92 3HB ALA A 9 2.014 11.508 2.268 1.00 0.00 H > ATOM 93 N ALA A 10 -0.571 12.819 2.743 1.00 0.00 N > ATOM 94 CA ALA A 10 -1.482 13.864 2.293 1.00 0.00 C > ATOM 95 C ALA A 10 -2.489 14.222 3.379 1.00 0.00 C > ATOM 96 O ALA A 10 -2.805 15.394 3.584 1.00 0.00 O > ATOM 97 CB ALA A 10 -2.203 13.429 1.026 1.00 0.00 C > ATOM 98 H ALA A 10 -0.563 11.932 2.260 1.00 0.00 H > ATOM 99 HA ALA A 10 -0.894 14.756 2.076 1.00 0.00 H > ATOM 100 1HB ALA A 10 -2.880 14.220 0.702 1.00 0.00 H > ATOM 101 2HB ALA A 10 -1.473 13.233 0.241 1.00 0.00 H > ATOM 102 3HB ALA A 10 -2.774 12.523 1.225 1.00 0.00 H > ATOM 103 N ALA A 11 -2.990 13.205 4.072 1.00 0.00 N > ATOM 104 CA ALA A 11 -3.908 13.415 5.186 1.00 0.00 C > ATOM 105 C ALA A 11 -3.241 14.203 6.307 1.00 0.00 C > ATOM 106 O ALA A 11 -3.856 15.082 6.911 1.00 0.00 O > ATOM 107 CB ALA A 11 -4.420 12.081 5.709 1.00 0.00 C > ATOM 108 H ALA A 11 -2.730 12.262 3.820 1.00 0.00 H > ATOM 109 HA ALA A 11 -4.753 14.001 4.823 1.00 0.00 H > ATOM 110 1HB ALA A 11 -5.104 12.255 6.540 1.00 0.00 H > ATOM 111 2HB ALA A 11 -4.945 11.555 4.911 1.00 0.00 H > ATOM 112 3HB ALA A 11 -3.581 11.478 6.050 1.00 0.00 H > ATOM 113 N ALA A 12 -1.981 13.882 6.580 1.00 0.00 N > ATOM 114 CA ALA A 12 -1.206 14.607 7.580 1.00 0.00 C > ATOM 115 C ALA A 12 -1.034 16.069 7.189 1.00 0.00 C > ATOM 116 O ALA A 12 -1.123 16.962 8.032 1.00 0.00 O > ATOM 117 CB ALA A 12 0.152 13.949 7.777 1.00 0.00 C > ATOM 118 H ALA A 12 -1.549 13.117 6.082 1.00 0.00 H > ATOM 119 HA ALA A 12 -1.754 14.575 8.521 1.00 0.00 H > ATOM 120 1HB ALA A 12 0.719 14.501 8.526 1.00 0.00 H > ATOM 121 2HB ALA A 12 0.012 12.921 8.112 1.00 0.00 H > ATOM 122 3HB ALA A 12 0.697 13.952 6.835 1.00 0.00 H > ATOM 123 N ALA A 13 -0.787 16.309 5.906 1.00 0.00 N > ATOM 124 CA ALA A 13 -0.673 17.667 5.387 1.00 0.00 C > ATOM 125 C ALA A 13 -1.979 18.432 5.557 1.00 0.00 C > ATOM 126 O ALA A 13 -1.977 19.612 5.908 1.00 0.00 O > ATOM 127 CB ALA A 13 -0.261 17.642 3.923 1.00 0.00 C > ATOM 128 H ALA A 13 -0.675 15.530 5.273 1.00 0.00 H > ATOM 129 HA ALA A 13 0.095 18.185 5.962 1.00 0.00 H > ATOM 130 1HB ALA A 13 -0.180 18.663 3.550 1.00 0.00 H > ATOM 131 2HB ALA A 13 0.703 17.143 3.825 1.00 0.00 H > ATOM 132 3HB ALA A 13 -1.009 17.103 3.344 1.00 0.00 H > ATOM 133 N ALA A 14 -3.093 17.754 5.305 1.00 0.00 N > ATOM 134 CA ALA A 14 -4.411 18.346 5.498 1.00 0.00 C > ATOM 135 C ALA A 14 -4.643 18.712 6.959 1.00 0.00 C > ATOM 136 O ALA A 14 -5.203 19.764 7.264 1.00 0.00 O > ATOM 137 CB ALA A 14 -5.496 17.396 5.012 1.00 0.00 C > ATOM 138 H ALA A 14 -3.026 16.803 4.972 1.00 0.00 H > ATOM 139 HA ALA A 14 -4.459 19.265 4.913 1.00 0.00 H > ATOM 140 1HB ALA A 14 -6.474 17.853 5.163 1.00 0.00 H > ATOM 141 2HB ALA A 14 -5.351 17.190 3.952 1.00 0.00 H > ATOM 142 3HB ALA A 14 -5.441 16.465 5.573 1.00 0.00 H > ATOM 143 N ALA A 15 -4.208 17.836 7.858 1.00 0.00 N > ATOM 144 CA ALA A 15 -4.301 18.097 9.290 1.00 0.00 C > ATOM 145 C ALA A 15 -3.478 19.318 9.681 1.00 0.00 C > ATOM 146 O ALA A 15 -3.908 20.134 10.496 1.00 0.00 O > ATOM 147 CB ALA A 15 -3.850 16.879 10.082 1.00 0.00 C > ATOM 148 H ALA A 15 -3.802 16.966 7.543 1.00 0.00 H > ATOM 149 HA ALA A 15 -5.344 18.307 9.529 1.00 0.00 H > ATOM 150 1HB ALA A 15 -3.925 17.089 11.148 1.00 0.00 H > ATOM 151 2HB ALA A 15 -4.486 16.028 9.834 1.00 0.00 H > ATOM 152 3HB ALA A 15 -2.817 16.644 9.830 1.00 0.00 H > ATOM 153 N ALA A 16 -2.291 19.437 9.096 1.00 0.00 N > ATOM 154 CA ALA A 16 -1.435 20.594 9.328 1.00 0.00 C > ATOM 155 C ALA A 16 -2.102 21.877 8.849 1.00 0.00 C > ATOM 156 O ALA A 16 -2.021 22.913 9.508 1.00 0.00 O > ATOM 157 CB ALA A 16 -0.092 20.407 8.638 1.00 0.00 C > ATOM 158 H ALA A 16 -1.973 18.707 8.475 1.00 0.00 H > ATOM 159 HA ALA A 16 -1.271 20.684 10.402 1.00 0.00 H > ATOM 160 1HB ALA A 16 0.536 21.279 8.820 1.00 0.00 H > ATOM 161 2HB ALA A 16 0.399 19.517 9.033 1.00 0.00 H > ATOM 162 3HB ALA A 16 -0.247 20.289 7.567 1.00 0.00 H > ATOM 163 N ALA A 17 -2.760 21.801 7.697 1.00 0.00 N > ATOM 164 CA ALA A 17 -3.503 22.936 7.164 1.00 0.00 C > ATOM 165 C ALA A 17 -4.637 23.341 8.098 1.00 0.00 C > ATOM 166 O ALA A 17 -4.884 24.528 8.311 1.00 0.00 O > ATOM 167 CB ALA A 17 -4.049 22.610 5.781 1.00 0.00 C > ATOM 168 H ALA A 17 -2.746 20.935 7.178 1.00 0.00 H > ATOM 169 HA ALA A 17 -2.819 23.781 7.083 1.00 0.00 H > ATOM 170 1HB ALA A 17 -4.601 23.467 5.396 1.00 0.00 H > ATOM 171 2HB ALA A 17 -3.222 22.379 5.109 1.00 0.00 H > ATOM 172 3HB ALA A 17 -4.713 21.750 5.846 1.00 0.00 H > ATOM 173 N ALA A 18 -5.322 22.348 8.653 1.00 0.00 N > ATOM 174 CA ALA A 18 -6.385 22.597 9.619 1.00 0.00 C > ATOM 175 C ALA A 18 -5.845 23.284 10.867 1.00 0.00 C > ATOM 176 O ALA A 18 -6.476 24.191 11.411 1.00 0.00 O > ATOM 177 CB ALA A 18 -7.079 21.295 9.992 1.00 0.00 C > ATOM 178 H ALA A 18 -5.102 21.395 8.399 1.00 0.00 H > ATOM 179 HA ALA A 18 -7.112 23.265 9.159 1.00 0.00 H > ATOM 180 1HB ALA A 18 -7.870 21.497 10.714 1.00 0.00 H > ATOM 181 2HB ALA A 18 -7.511 20.844 9.098 1.00 0.00 H > ATOM 182 3HB ALA A 18 -6.355 20.609 10.429 1.00 0.00 H > ATOM 183 N ALA A 19 -4.673 22.847 11.316 1.00 0.00 N > ATOM 184 CA ALA A 19 -4.012 23.466 12.459 1.00 0.00 C > ATOM 185 C ALA A 19 -3.661 24.920 12.171 1.00 0.00 C > ATOM 186 O ALA A 19 -3.807 25.787 13.033 1.00 0.00 O > ATOM 187 CB ALA A 19 -2.761 22.685 12.834 1.00 0.00 C > ATOM 188 H ALA A 19 -4.229 22.066 10.855 1.00 0.00 H > ATOM 189 HA ALA A 19 -4.704 23.450 13.301 1.00 0.00 H > ATOM 190 1HB ALA A 19 -2.278 23.159 13.689 1.00 0.00 H > ATOM 191 2HB ALA A 19 -3.035 21.662 13.094 1.00 0.00 H > ATOM 192 3HB ALA A 19 -2.073 22.673 11.990 1.00 0.00 H > ATOM 193 N ALA A 20 -3.197 25.182 10.954 1.00 0.00 N > ATOM 194 CA ALA A 20 -2.890 26.542 10.526 1.00 0.00 C > ATOM 195 C ALA A 20 -4.141 27.411 10.515 1.00 0.00 C > ATOM 196 O ALA A 20 -4.096 28.584 10.885 1.00 0.00 O > ATOM 197 CB ALA A 20 -2.241 26.531 9.150 1.00 0.00 C > ATOM 198 H ALA A 20 -3.053 24.419 10.307 1.00 0.00 H > ATOM 199 HA ALA A 20 -2.191 26.972 11.243 1.00 0.00 H > ATOM 200 1HB ALA A 20 -2.018 27.553 8.845 1.00 0.00 H > ATOM 201 2HB ALA A 20 -1.317 25.954 9.188 1.00 0.00 H > ATOM 202 3HB ALA A 20 -2.921 26.079 8.431 1.00 0.00 H > ATOM 203 N ALA A 21 -5.256 26.829 10.088 1.00 0.00 N > ATOM 204 CA ALA A 21 -6.537 27.526 10.097 1.00 0.00 C > ATOM 205 C ALA A 21 -6.976 27.852 11.519 1.00 0.00 C > ATOM 206 O ALA A 21 -7.503 28.933 11.783 1.00 0.00 O > ATOM 207 CB ALA A 21 -7.598 26.693 9.394 1.00 0.00 C > ATOM 208 H ALA A 21 -5.216 25.878 9.748 1.00 0.00 H > ATOM 209 HA ALA A 21 -6.414 28.467 9.561 1.00 0.00 H > ATOM 210 1HB ALA A 21 -8.549 27.227 9.409 1.00 0.00 H > ATOM 211 2HB ALA A 21 -7.297 26.517 8.361 1.00 0.00 H > ATOM 212 3HB ALA A 21 -7.710 25.739 9.906 1.00 0.00 H > ATOM 213 N ALA A 22 -6.755 26.912 12.431 1.00 0.00 N > ATOM 214 CA ALA A 22 -7.112 27.105 13.832 1.00 0.00 C > ATOM 215 C ALA A 22 -6.268 28.200 14.470 1.00 0.00 C > ATOM 216 O ALA A 22 -6.789 29.078 15.157 1.00 0.00 O > ATOM 217 CB ALA A 22 -6.957 25.801 14.602 1.00 0.00 C > ATOM 218 H ALA A 22 -6.329 26.041 12.148 1.00 0.00 H > ATOM 219 HA ALA A 22 -8.155 27.419 13.875 1.00 0.00 H > ATOM 220 1HB ALA A 22 -7.228 25.962 15.646 1.00 0.00 H > ATOM 221 2HB ALA A 22 -7.611 25.044 14.170 1.00 0.00 H > ATOM 222 3HB ALA A 22 -5.924 25.465 14.543 1.00 0.00 H > ATOM 223 N ALA A 23 -4.961 28.143 14.238 1.00 0.00 N > ATOM 224 CA ALA A 23 -4.032 29.086 14.851 1.00 0.00 C > ATOM 225 C ALA A 23 -2.592 28.769 14.466 1.00 0.00 C > ATOM 226 O ALA A 23 -2.094 29.245 13.446 1.00 0.00 O > ATOM 227 CB ALA A 23 -4.190 29.076 16.364 1.00 0.00 C > ATOM 228 H ALA A 23 -4.601 27.429 13.621 1.00 0.00 H > ATOM 229 HA ALA A 23 -4.266 30.083 14.478 1.00 0.00 H > ATOM 230 1HB ALA A 23 -3.490 29.784 16.808 1.00 0.00 H > ATOM 231 2HB ALA A 23 -5.209 29.361 16.626 1.00 0.00 H > ATOM 232 3HB ALA A 23 -3.984 28.077 16.745 1.00 0.00 H > ATOM 233 N ALA A 24 -1.929 27.964 15.289 1.00 0.00 N > ATOM 234 CA ALA A 24 -0.539 27.598 15.046 1.00 0.00 C > ATOM 235 C ALA A 24 -0.152 26.352 15.833 1.00 0.00 C > ATOM 236 O ALA A 24 -0.688 26.096 16.911 1.00 0.00 O > ATOM 237 OXT ALA A 24 0.683 25.606 15.403 1.00 0.00 O > ATOM 238 CB ALA A 24 0.384 28.754 15.401 1.00 0.00 C > ATOM 239 H ALA A 24 -2.399 27.597 16.104 1.00 0.00 H > ATOM 240 HA ALA A 24 -0.429 27.371 13.986 1.00 0.00 H > ATOM 241 1HB ALA A 24 1.418 28.465 15.214 1.00 0.00 H > ATOM 242 2HB ALA A 24 0.133 29.621 14.789 1.00 0.00 H > ATOM 243 3HB ALA A 24 0.263 29.007 16.453 1.00 0.00 H 526,550c526,550 < pose -75.5554 6.93538 43.2454 0.02242 -3.27776 0 -16.6467 0 0 0 0 -3.4601 1.43196 0 -6.17773 0 18.5698 -34.9127 < ALA:NtermProteinFull_1 -1.82913 0.18709 1.4609 0.00105 0.4551 0 0 0 0 0 0 0 0.05555 0 0 0 0.77374 1.1043 < ALA_2 -2.06571 0.2314 1.23926 0.00093 0.31746 0 0 0 0 0 0 -0.23685 0.01271 0 -0.23263 0 0.77374 0.04031 < ALA_3 -2.56502 0.24627 1.57959 0.00093 0.10683 0 0 0 0 0 0 -0.24573 0.05364 0 -0.23605 0 0.77374 -0.28579 < ALA_4 -3.29753 0.28868 1.99355 0.00093 0.05176 0 0 0 0 0 0 -0.22161 0.09011 0 -0.2127 0 0.77374 -0.53307 < ALA_5 -3.62043 0.26473 1.99184 0.00093 -0.2032 0 0 0 0 0 0 -0.22482 0.07652 0 -0.23176 0 0.77374 -1.17246 < ALA_6 -3.6846 0.2853 2.03562 0.00093 -0.28366 0 0 0 0 0 0 -0.21783 0.07271 0 -0.22788 0 0.77374 -1.24568 < ALA_7 -3.69034 0.28321 2.04164 0.00093 -0.27009 0 0 0 0 0 0 -0.2205 0.07057 0 -0.23072 0 0.77374 -1.24155 < ALA_8 -3.69291 0.28774 2.04539 0.00093 -0.28087 0 0 0 0 0 0 -0.21968 0.06953 0 -0.23004 0 0.77374 -1.24619 < ALA_9 -3.68998 0.2871 2.04543 0.00093 -0.27883 0 0 0 0 0 0 -0.21981 0.0704 0 -0.22999 0 0.77374 -1.24102 < ALA_10 -3.68833 0.28671 2.04393 0.00093 -0.27962 0 0 0 0 0 0 -0.22007 0.07048 0 -0.23009 0 0.77374 -1.24232 < ALA_11 -3.68963 0.28719 2.04502 0.00093 -0.28033 0 0 0 0 0 0 -0.21961 0.06914 0 -0.23 0 0.77374 -1.24356 < ALA_12 -3.68863 0.28633 2.04402 0.00093 -0.28005 0 0 0 0 0 0 -0.22074 0.07067 0 -0.23016 0 0.77374 -1.24389 < ALA_13 -3.68815 0.28636 2.04356 0.00093 -0.27973 0 0 0 0 0 0 -0.2205 0.06977 0 -0.23009 0 0.77374 -1.24412 < ALA_14 -3.68833 0.28598 2.04402 0.00093 -0.28026 0 0 0 0 0 0 -0.22092 0.07148 0 -0.22991 0 0.77374 -1.24327 < ALA_15 -3.68979 0.28716 2.04462 0.00093 -0.27937 0 0 0 0 0 0 -0.22016 0.07024 0 -0.23 0 0.77374 -1.24263 < ALA_16 -3.68898 0.2866 2.04463 0.00093 -0.27819 0 0 0 0 0 0 -0.21954 0.07096 0 -0.22998 0 0.77374 -1.23984 < ALA_17 -3.69306 0.28575 2.04683 0.00093 -0.27262 0 0 0 0 0 0 -0.21954 0.07056 0 -0.22988 0 0.77374 -1.23729 < ALA_18 -3.703 0.29149 2.0556 0.00093 -0.27757 0 0 0 0 0 0 -0.21968 0.06957 0 -0.23051 0 0.77374 -1.23942 < ALA_19 -3.97442 0.27751 2.31393 0.00093 -0.28752 0 0 0 0 0 0 -0.22415 0.0645 0 -0.23109 0 0.77374 -1.28658 < ALA_20 -3.24865 0.28518 1.85822 0.00093 0.04196 0 0 0 0 0 0 -0.24844 0.07679 0 -0.23259 0 0.77374 -0.69286 < ALA_21 -2.41314 0.21821 1.38396 0.00093 0.05281 0 0 0 0 0 0 -0.22418 0.00363 0 -0.21603 0 0.77374 -0.42006 < ALA_22 -2.08737 0.43618 1.11413 0.0009 -0.16212 0 0 0 0 0 0 -0.08343 0.078 0 -0.14011 0 0.77374 -0.07008 < ALA_23 -1.86461 0.58479 1.20393 0.00079 -0.12391 0 0 0 0 0 0 1.10769 0.00445 0 -1.45552 0 0.77374 0.23134 < ALA:CtermProteinFull_24 -0.61365 0.18844 0.52581 0.00111 0.09424 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.96969 --- > pose -75.7883 7.44072 43.4172 0.02238 -3.47209 0 -16.6264 0 0 0 0 -3.45519 1.42879 0 -6.16659 0 18.5698 -34.6297 > ALA:NtermProteinFull_1 -1.93753 0.43933 1.54374 0.00101 0.35483 0 0 0 0 0 0 0 0.04257 0 0 0 0.77374 1.21769 > ALA_2 -2.07066 0.48979 1.15206 0.00093 0.19334 0 0 0 0 0 0 -0.22723 0.01873 0 -0.2209 0 0.77374 0.1098 > ALA_3 -2.54938 0.23223 1.513 0.00094 0.08164 0 0 0 0 0 0 -0.25184 0.05592 0 -0.23666 0 0.77374 -0.38041 > ALA_4 -3.4107 0.29823 2.21678 0.00092 0.10374 0 0 0 0 0 0 -0.21756 0.0918 0 -0.21223 0 0.77374 -0.35528 > ALA_5 -3.63224 0.26223 2.00683 0.00093 -0.2027 0 0 0 0 0 0 -0.22628 0.07616 0 -0.23221 0 0.77374 -1.17353 > ALA_6 -3.68944 0.28704 2.03637 0.00093 -0.28056 0 0 0 0 0 0 -0.21695 0.07241 0 -0.22789 0 0.77374 -1.24434 > ALA_7 -3.68988 0.28334 2.0426 0.00093 -0.27202 0 0 0 0 0 0 -0.22053 0.07039 0 -0.23077 0 0.77374 -1.24219 > ALA_8 -3.69316 0.28778 2.04502 0.00093 -0.27974 0 0 0 0 0 0 -0.21961 0.07029 0 -0.22991 0 0.77374 -1.24465 > ALA_9 -3.68978 0.28658 2.04518 0.00093 -0.27943 0 0 0 0 0 0 -0.22101 0.06978 0 -0.23054 0 0.77374 -1.24456 > ALA_10 -3.68971 0.28799 2.04486 0.00093 -0.27988 0 0 0 0 0 0 -0.2197 0.07083 0 -0.22959 0 0.77374 -1.24052 > ALA_11 -3.68883 0.28575 2.0442 0.00093 -0.28016 0 0 0 0 0 0 -0.22095 0.07052 0 -0.23032 0 0.77374 -1.24512 > ALA_12 -3.68884 0.28687 2.04382 0.00093 -0.27979 0 0 0 0 0 0 -0.22055 0.07112 0 -0.23019 0 0.77374 -1.24289 > ALA_13 -3.6896 0.28726 2.04484 0.00093 -0.27987 0 0 0 0 0 0 -0.22005 0.06928 0 -0.22978 0 0.77374 -1.24324 > ALA_14 -3.68891 0.28645 2.04377 0.00093 -0.27975 0 0 0 0 0 0 -0.22118 0.07241 0 -0.23028 0 0.77374 -1.24281 > ALA_15 -3.6895 0.28714 2.04458 0.00093 -0.27921 0 0 0 0 0 0 -0.21939 0.0702 0 -0.2298 0 0.77374 -1.24131 > ALA_16 -3.68831 0.28578 2.04424 0.00093 -0.27789 0 0 0 0 0 0 -0.22074 0.07212 0 -0.23033 0 0.77374 -1.24046 > ALA_17 -3.6949 0.28803 2.04839 0.00093 -0.27356 0 0 0 0 0 0 -0.21724 0.06762 0 -0.22934 0 0.77374 -1.23633 > ALA_18 -3.69879 0.28822 2.05288 0.00093 -0.27726 0 0 0 0 0 0 -0.22169 0.06812 0 -0.23122 0 0.77374 -1.24506 > ALA_19 -3.97639 0.27807 2.31527 0.00093 -0.28668 0 0 0 0 0 0 -0.22361 0.06634 0 -0.23023 0 0.77374 -1.28257 > ALA_20 -3.24908 0.28446 1.85897 0.00093 0.04166 0 0 0 0 0 0 -0.24834 0.07516 0 -0.23285 0 0.77374 -0.69535 > ALA_21 -2.41322 0.21777 1.3834 0.00093 0.05265 0 0 0 0 0 0 -0.22477 0.00409 0 -0.21621 0 0.77374 -0.42162 > ALA_22 -2.08751 0.43666 1.11424 0.0009 -0.16202 0 0 0 0 0 0 -0.08359 0.07841 0 -0.13988 0 0.77374 -0.06905 > ALA_23 -1.86657 0.58554 1.205 0.00079 -0.12405 0 0 0 0 0 0 1.10762 0.00454 0 -1.45547 0 0.77374 0.23115 > ALA:CtermProteinFull_24 -0.61539 0.18816 0.52716 0.00111 0.0946 0 0 0 0 0 0 0 0 0 0 0 0.77374 0.96937 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0015.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0015.pdb 13c13 < ATOM 4 O ALA A 1 2.528 1.895 1.010 1.00 0.00 O --- > ATOM 4 O ALA A 1 2.494 1.908 1.021 1.00 0.00 O 22,252c22,252 < ATOM 13 N ALA A 2 1.893 2.094 -1.139 1.00 0.00 N < ATOM 14 CA ALA A 2 2.436 3.439 -1.292 1.00 0.00 C < ATOM 15 C ALA A 2 1.760 4.417 -0.340 1.00 0.00 C < ATOM 16 O ALA A 2 2.419 5.257 0.272 1.00 0.00 O < ATOM 17 CB ALA A 2 2.284 3.911 -2.731 1.00 0.00 C < ATOM 18 H ALA A 2 1.417 1.664 -1.919 1.00 0.00 H < ATOM 19 HA ALA A 2 3.496 3.407 -1.041 1.00 0.00 H < ATOM 20 1HB ALA A 2 2.694 4.916 -2.829 1.00 0.00 H < ATOM 21 2HB ALA A 2 2.822 3.233 -3.395 1.00 0.00 H < ATOM 22 3HB ALA A 2 1.229 3.921 -3.001 1.00 0.00 H < ATOM 23 N ALA A 3 0.442 4.303 -0.220 1.00 0.00 N < ATOM 24 CA ALA A 3 -0.321 5.153 0.687 1.00 0.00 C < ATOM 25 C ALA A 3 0.055 4.886 2.139 1.00 0.00 C < ATOM 26 O ALA A 3 0.093 5.804 2.959 1.00 0.00 O < ATOM 27 CB ALA A 3 -1.814 4.943 0.479 1.00 0.00 C < ATOM 28 H ALA A 3 -0.044 3.611 -0.771 1.00 0.00 H < ATOM 29 HA ALA A 3 -0.076 6.192 0.464 1.00 0.00 H < ATOM 30 1HB ALA A 3 -2.370 5.584 1.163 1.00 0.00 H < ATOM 31 2HB ALA A 3 -2.077 5.194 -0.548 1.00 0.00 H < ATOM 32 3HB ALA A 3 -2.065 3.902 0.674 1.00 0.00 H < ATOM 33 N ALA A 4 0.332 3.625 2.451 1.00 0.00 N < ATOM 34 CA ALA A 4 0.765 3.244 3.790 1.00 0.00 C < ATOM 35 C ALA A 4 2.092 3.901 4.147 1.00 0.00 C < ATOM 36 O ALA A 4 2.301 4.322 5.285 1.00 0.00 O < ATOM 37 CB ALA A 4 0.878 1.731 3.900 1.00 0.00 C < ATOM 38 H ALA A 4 0.240 2.911 1.742 1.00 0.00 H < ATOM 39 HA ALA A 4 0.017 3.595 4.500 1.00 0.00 H < ATOM 40 1HB ALA A 4 1.203 1.462 4.905 1.00 0.00 H < ATOM 41 2HB ALA A 4 -0.093 1.278 3.699 1.00 0.00 H < ATOM 42 3HB ALA A 4 1.605 1.367 3.175 1.00 0.00 H < ATOM 43 N ALA A 5 2.987 3.987 3.168 1.00 0.00 N < ATOM 44 CA ALA A 5 4.253 4.687 3.347 1.00 0.00 C < ATOM 45 C ALA A 5 4.039 6.192 3.454 1.00 0.00 C < ATOM 46 O ALA A 5 4.608 6.848 4.326 1.00 0.00 O < ATOM 47 CB ALA A 5 5.201 4.368 2.200 1.00 0.00 C < ATOM 48 H ALA A 5 2.785 3.555 2.278 1.00 0.00 H < ATOM 49 HA ALA A 5 4.700 4.346 4.280 1.00 0.00 H < ATOM 50 1HB ALA A 5 6.142 4.899 2.348 1.00 0.00 H < ATOM 51 2HB ALA A 5 5.390 3.295 2.172 1.00 0.00 H < ATOM 52 3HB ALA A 5 4.752 4.681 1.259 1.00 0.00 H < ATOM 53 N ALA A 6 3.217 6.733 2.562 1.00 0.00 N < ATOM 54 CA ALA A 6 2.962 8.168 2.526 1.00 0.00 C < ATOM 55 C ALA A 6 2.229 8.628 3.779 1.00 0.00 C < ATOM 56 O ALA A 6 2.800 9.314 4.627 1.00 0.00 O < ATOM 57 CB ALA A 6 2.165 8.533 1.282 1.00 0.00 C < ATOM 58 H ALA A 6 2.757 6.134 1.891 1.00 0.00 H < ATOM 59 HA ALA A 6 3.923 8.682 2.493 1.00 0.00 H < ATOM 60 1HB ALA A 6 1.982 9.608 1.270 1.00 0.00 H < ATOM 61 2HB ALA A 6 2.728 8.251 0.393 1.00 0.00 H < ATOM 62 3HB ALA A 6 1.213 8.004 1.292 1.00 0.00 H < ATOM 63 N ALA A 7 0.961 8.247 3.891 1.00 0.00 N < ATOM 64 CA ALA A 7 0.113 8.717 4.979 1.00 0.00 C < ATOM 65 C ALA A 7 0.423 7.981 6.276 1.00 0.00 C < ATOM 66 O ALA A 7 0.530 8.594 7.339 1.00 0.00 O < ATOM 67 CB ALA A 7 -1.356 8.551 4.616 1.00 0.00 C < ATOM 68 H ALA A 7 0.575 7.616 3.203 1.00 0.00 H < ATOM 69 HA ALA A 7 0.320 9.775 5.138 1.00 0.00 H < ATOM 70 1HB ALA A 7 -1.977 8.907 5.439 1.00 0.00 H < ATOM 71 2HB ALA A 7 -1.576 9.130 3.719 1.00 0.00 H < ATOM 72 3HB ALA A 7 -1.568 7.500 4.430 1.00 0.00 H < ATOM 73 N ALA A 8 0.568 6.664 6.183 1.00 0.00 N < ATOM 74 CA ALA A 8 0.799 5.834 7.359 1.00 0.00 C < ATOM 75 C ALA A 8 2.266 5.441 7.477 1.00 0.00 C < ATOM 76 O ALA A 8 2.940 5.803 8.442 1.00 0.00 O < ATOM 77 CB ALA A 8 -0.078 4.591 7.312 1.00 0.00 C < ATOM 78 H ALA A 8 0.516 6.226 5.275 1.00 0.00 H < ATOM 79 HA ALA A 8 0.538 6.417 8.242 1.00 0.00 H < ATOM 80 1HB ALA A 8 0.106 3.981 8.196 1.00 0.00 H < ATOM 81 2HB ALA A 8 -1.127 4.887 7.287 1.00 0.00 H < ATOM 82 3HB ALA A 8 0.157 4.014 6.419 1.00 0.00 H < ATOM 83 N ALA A 9 2.756 4.700 6.489 1.00 0.00 N < ATOM 84 CA ALA A 9 4.127 4.204 6.510 1.00 0.00 C < ATOM 85 C ALA A 9 5.129 5.351 6.476 1.00 0.00 C < ATOM 86 O ALA A 9 5.820 5.614 7.460 1.00 0.00 O < ATOM 87 CB ALA A 9 4.366 3.258 5.343 1.00 0.00 C < ATOM 88 H ALA A 9 2.164 4.474 5.703 1.00 0.00 H < ATOM 89 HA ALA A 9 4.275 3.659 7.443 1.00 0.00 H < ATOM 90 1HB ALA A 9 5.394 2.896 5.373 1.00 0.00 H < ATOM 91 2HB ALA A 9 3.682 2.412 5.414 1.00 0.00 H < ATOM 92 3HB ALA A 9 4.195 3.786 4.406 1.00 0.00 H < ATOM 93 N ALA A 10 5.202 6.032 5.337 1.00 0.00 N < ATOM 94 CA ALA A 10 6.122 7.151 5.172 1.00 0.00 C < ATOM 95 C ALA A 10 5.769 8.297 6.111 1.00 0.00 C < ATOM 96 O ALA A 10 6.503 8.586 7.056 1.00 0.00 O < ATOM 97 CB ALA A 10 6.118 7.631 3.727 1.00 0.00 C < ATOM 98 H ALA A 10 4.606 5.767 4.566 1.00 0.00 H < ATOM 99 HA ALA A 10 7.124 6.807 5.426 1.00 0.00 H < ATOM 100 1HB ALA A 10 6.809 8.467 3.620 1.00 0.00 H < ATOM 101 2HB ALA A 10 6.428 6.816 3.073 1.00 0.00 H < ATOM 102 3HB ALA A 10 5.114 7.953 3.454 1.00 0.00 H < ATOM 103 N ALA A 11 4.641 8.947 5.846 1.00 0.00 N < ATOM 104 CA ALA A 11 4.172 10.042 6.687 1.00 0.00 C < ATOM 105 C ALA A 11 3.154 9.552 7.709 1.00 0.00 C < ATOM 106 O ALA A 11 3.492 9.303 8.866 1.00 0.00 O < ATOM 107 CB ALA A 11 3.572 11.148 5.832 1.00 0.00 C < ATOM 108 H ALA A 11 4.095 8.677 5.040 1.00 0.00 H < ATOM 109 HA ALA A 11 5.027 10.441 7.232 1.00 0.00 H < ATOM 110 1HB ALA A 11 3.226 11.958 6.474 1.00 0.00 H < ATOM 111 2HB ALA A 11 4.329 11.528 5.145 1.00 0.00 H < ATOM 112 3HB ALA A 11 2.733 10.753 5.262 1.00 0.00 H < ATOM 113 N ALA A 12 1.905 9.417 7.275 1.00 0.00 N < ATOM 114 CA ALA A 12 0.839 8.939 8.147 1.00 0.00 C < ATOM 115 C ALA A 12 1.100 7.510 8.604 1.00 0.00 C < ATOM 116 O ALA A 12 0.715 7.120 9.707 1.00 0.00 O < ATOM 117 CB ALA A 12 -0.505 9.030 7.439 1.00 0.00 C < ATOM 118 H ALA A 12 1.689 9.651 6.317 1.00 0.00 H < ATOM 119 HA ALA A 12 0.815 9.574 9.032 1.00 0.00 H < ATOM 120 1HB ALA A 12 -1.291 8.670 8.102 1.00 0.00 H < ATOM 121 2HB ALA A 12 -0.705 10.068 7.169 1.00 0.00 H < ATOM 122 3HB ALA A 12 -0.483 8.420 6.537 1.00 0.00 H < ATOM 123 N ALA A 13 1.756 6.731 7.750 1.00 0.00 N < ATOM 124 CA ALA A 13 2.088 5.349 8.073 1.00 0.00 C < ATOM 125 C ALA A 13 3.099 5.275 9.210 1.00 0.00 C < ATOM 126 O ALA A 13 3.026 4.392 10.063 1.00 0.00 O < ATOM 127 CB ALA A 13 2.621 4.630 6.843 1.00 0.00 C < ATOM 128 H ALA A 13 2.033 7.107 6.855 1.00 0.00 H < ATOM 129 HA ALA A 13 1.176 4.851 8.405 1.00 0.00 H < ATOM 130 1HB ALA A 13 2.864 3.599 7.100 1.00 0.00 H < ATOM 131 2HB ALA A 13 1.864 4.640 6.058 1.00 0.00 H < ATOM 132 3HB ALA A 13 3.518 5.136 6.487 1.00 0.00 H < ATOM 133 N ALA A 14 4.044 6.210 9.215 1.00 0.00 N < ATOM 134 CA ALA A 14 5.148 6.178 10.167 1.00 0.00 C < ATOM 135 C ALA A 14 4.918 7.160 11.309 1.00 0.00 C < ATOM 136 O ALA A 14 4.778 6.762 12.465 1.00 0.00 O < ATOM 137 CB ALA A 14 6.463 6.482 9.465 1.00 0.00 C < ATOM 138 H ALA A 14 3.997 6.961 8.541 1.00 0.00 H < ATOM 139 HA ALA A 14 5.198 5.176 10.594 1.00 0.00 H < ATOM 140 1HB ALA A 14 7.277 6.454 10.189 1.00 0.00 H < ATOM 141 2HB ALA A 14 6.642 5.736 8.690 1.00 0.00 H < ATOM 142 3HB ALA A 14 6.413 7.471 9.012 1.00 0.00 H < ATOM 143 N ALA A 15 4.880 8.446 10.977 1.00 0.00 N < ATOM 144 CA ALA A 15 4.799 9.496 11.987 1.00 0.00 C < ATOM 145 C ALA A 15 3.494 9.407 12.769 1.00 0.00 C < ATOM 146 O ALA A 15 3.480 9.560 13.990 1.00 0.00 O < ATOM 147 CB ALA A 15 4.935 10.866 11.339 1.00 0.00 C < ATOM 148 H ALA A 15 4.909 8.704 10.001 1.00 0.00 H < ATOM 149 HA ALA A 15 5.620 9.354 12.689 1.00 0.00 H < ATOM 150 1HB ALA A 15 4.872 11.639 12.105 1.00 0.00 H < ATOM 151 2HB ALA A 15 5.898 10.935 10.832 1.00 0.00 H < ATOM 152 3HB ALA A 15 4.134 11.007 10.615 1.00 0.00 H < ATOM 153 N ALA A 16 2.400 9.160 12.058 1.00 0.00 N < ATOM 154 CA ALA A 16 1.085 9.073 12.681 1.00 0.00 C < ATOM 155 C ALA A 16 0.875 7.715 13.338 1.00 0.00 C < ATOM 156 O ALA A 16 0.687 7.624 14.551 1.00 0.00 O < ATOM 157 CB ALA A 16 -0.007 9.338 11.654 1.00 0.00 C < ATOM 158 H ALA A 16 2.481 9.028 11.059 1.00 0.00 H < ATOM 159 HA ALA A 16 1.028 9.833 13.460 1.00 0.00 H < ATOM 160 1HB ALA A 16 -0.983 9.270 12.135 1.00 0.00 H < ATOM 161 2HB ALA A 16 0.122 10.336 11.235 1.00 0.00 H < ATOM 162 3HB ALA A 16 0.057 8.599 10.857 1.00 0.00 H < ATOM 163 N ALA A 17 0.908 6.661 12.530 1.00 0.00 N < ATOM 164 CA ALA A 17 0.686 5.308 13.026 1.00 0.00 C < ATOM 165 C ALA A 17 1.807 4.874 13.962 1.00 0.00 C < ATOM 166 O ALA A 17 1.614 4.773 15.173 1.00 0.00 O < ATOM 167 CB ALA A 17 0.558 4.332 11.865 1.00 0.00 C < ATOM 168 H ALA A 17 1.091 6.800 11.546 1.00 0.00 H < ATOM 169 HA ALA A 17 -0.244 5.304 13.595 1.00 0.00 H < ATOM 170 1HB ALA A 17 0.393 3.326 12.252 1.00 0.00 H < ATOM 171 2HB ALA A 17 -0.284 4.622 11.237 1.00 0.00 H < ATOM 172 3HB ALA A 17 1.473 4.348 11.275 1.00 0.00 H < ATOM 173 N ALA A 18 2.980 4.617 13.392 1.00 0.00 N < ATOM 174 CA ALA A 18 4.121 4.146 14.168 1.00 0.00 C < ATOM 175 C ALA A 18 4.590 5.204 15.157 1.00 0.00 C < ATOM 176 O ALA A 18 4.396 5.068 16.365 1.00 0.00 O < ATOM 177 CB ALA A 18 5.261 3.744 13.243 1.00 0.00 C < ATOM 178 H ALA A 18 3.084 4.753 12.397 1.00 0.00 H < ATOM 179 HA ALA A 18 3.805 3.272 14.738 1.00 0.00 H < ATOM 180 1HB ALA A 18 6.105 3.394 13.837 1.00 0.00 H < ATOM 181 2HB ALA A 18 4.927 2.945 12.580 1.00 0.00 H < ATOM 182 3HB ALA A 18 5.567 4.604 12.649 1.00 0.00 H < ATOM 183 N ALA A 19 5.208 6.260 14.638 1.00 0.00 N < ATOM 184 CA ALA A 19 5.726 7.334 15.477 1.00 0.00 C < ATOM 185 C ALA A 19 4.733 8.485 15.574 1.00 0.00 C < ATOM 186 O ALA A 19 4.652 9.163 16.598 1.00 0.00 O < ATOM 187 CB ALA A 19 7.060 7.830 14.939 1.00 0.00 C < ATOM 188 H ALA A 19 5.322 6.319 13.636 1.00 0.00 H < ATOM 189 HA ALA A 19 5.876 6.937 16.481 1.00 0.00 H < ATOM 190 1HB ALA A 19 7.434 8.632 15.576 1.00 0.00 H < ATOM 191 2HB ALA A 19 7.777 7.009 14.931 1.00 0.00 H < ATOM 192 3HB ALA A 19 6.927 8.205 13.926 1.00 0.00 H < ATOM 193 N ALA A 20 3.978 8.700 14.502 1.00 0.00 N < ATOM 194 CA ALA A 20 3.040 9.814 14.436 1.00 0.00 C < ATOM 195 C ALA A 20 1.962 9.689 15.506 1.00 0.00 C < ATOM 196 O ALA A 20 1.548 10.683 16.102 1.00 0.00 O < ATOM 197 CB ALA A 20 2.407 9.893 13.055 1.00 0.00 C < ATOM 198 H ALA A 20 4.057 8.076 13.711 1.00 0.00 H < ATOM 199 HA ALA A 20 3.592 10.734 14.625 1.00 0.00 H < ATOM 200 1HB ALA A 20 1.708 10.729 13.022 1.00 0.00 H < ATOM 201 2HB ALA A 20 3.185 10.041 12.306 1.00 0.00 H < ATOM 202 3HB ALA A 20 1.874 8.967 12.846 1.00 0.00 H < ATOM 203 N ALA A 21 1.511 8.462 15.744 1.00 0.00 N < ATOM 204 CA ALA A 21 0.483 8.205 16.746 1.00 0.00 C < ATOM 205 C ALA A 21 1.040 7.399 17.912 1.00 0.00 C < ATOM 206 O ALA A 21 0.836 7.749 19.075 1.00 0.00 O < ATOM 207 CB ALA A 21 -0.698 7.479 16.118 1.00 0.00 C < ATOM 208 H ALA A 21 1.891 7.688 15.218 1.00 0.00 H < ATOM 209 HA ALA A 21 0.142 9.164 17.135 1.00 0.00 H < ATOM 210 1HB ALA A 21 -1.457 7.294 16.878 1.00 0.00 H < ATOM 211 2HB ALA A 21 -1.122 8.094 15.323 1.00 0.00 H < ATOM 212 3HB ALA A 21 -0.363 6.530 15.702 1.00 0.00 H < ATOM 213 N ALA A 22 1.744 6.317 17.595 1.00 0.00 N < ATOM 214 CA ALA A 22 2.355 5.475 18.616 1.00 0.00 C < ATOM 215 C ALA A 22 3.805 5.157 18.272 1.00 0.00 C < ATOM 216 O ALA A 22 4.720 5.504 19.018 1.00 0.00 O < ATOM 217 CB ALA A 22 1.559 4.190 18.789 1.00 0.00 C < ATOM 218 H ALA A 22 1.858 6.072 16.622 1.00 0.00 H < ATOM 219 HA ALA A 22 2.348 6.024 19.557 1.00 0.00 H < ATOM 220 1HB ALA A 22 2.028 3.571 19.555 1.00 0.00 H < ATOM 221 2HB ALA A 22 0.540 4.431 19.092 1.00 0.00 H < ATOM 222 3HB ALA A 22 1.537 3.645 17.847 1.00 0.00 H < ATOM 223 N ALA A 23 4.007 4.495 17.138 1.00 0.00 N < ATOM 224 CA ALA A 23 5.347 4.142 16.685 1.00 0.00 C < ATOM 225 C ALA A 23 6.021 5.317 15.989 1.00 0.00 C < ATOM 226 O ALA A 23 7.239 5.330 15.810 1.00 0.00 O < ATOM 227 CB ALA A 23 5.293 2.938 15.757 1.00 0.00 C < ATOM 228 H ALA A 23 3.212 4.229 16.575 1.00 0.00 H < ATOM 229 HA ALA A 23 5.944 3.885 17.561 1.00 0.00 H < ATOM 230 1HB ALA A 23 6.301 2.686 15.427 1.00 0.00 H < ATOM 231 2HB ALA A 23 4.862 2.088 16.287 1.00 0.00 H < ATOM 232 3HB ALA A 23 4.677 3.174 14.890 1.00 0.00 H < ATOM 233 N ALA A 24 5.222 6.304 15.599 1.00 0.00 N < ATOM 234 CA ALA A 24 5.741 7.490 14.929 1.00 0.00 C < ATOM 235 C ALA A 24 4.743 8.640 14.992 1.00 0.00 C < ATOM 236 O ALA A 24 3.532 8.422 15.030 1.00 0.00 O < ATOM 237 OXT ALA A 24 5.135 9.774 15.005 1.00 0.00 O < ATOM 238 CB ALA A 24 6.089 7.171 13.482 1.00 0.00 C < ATOM 239 H ALA A 24 4.229 6.231 15.771 1.00 0.00 H < ATOM 240 HA ALA A 24 6.646 7.805 15.448 1.00 0.00 H < ATOM 241 1HB ALA A 24 6.475 8.067 12.995 1.00 0.00 H < ATOM 242 2HB ALA A 24 6.846 6.388 13.454 1.00 0.00 H < ATOM 243 3HB ALA A 24 5.196 6.831 12.960 1.00 0.00 H --- > ATOM 13 N ALA A 2 1.931 2.079 -1.151 1.00 0.00 N > ATOM 14 CA ALA A 2 2.482 3.421 -1.304 1.00 0.00 C > ATOM 15 C ALA A 2 1.785 4.411 -0.379 1.00 0.00 C > ATOM 16 O ALA A 2 2.426 5.281 0.210 1.00 0.00 O > ATOM 17 CB ALA A 2 2.367 3.878 -2.751 1.00 0.00 C > ATOM 18 H ALA A 2 1.479 1.640 -1.940 1.00 0.00 H > ATOM 19 HA ALA A 2 3.535 3.388 -1.026 1.00 0.00 H > ATOM 20 1HB ALA A 2 2.782 4.882 -2.849 1.00 0.00 H > ATOM 21 2HB ALA A 2 2.919 3.193 -3.394 1.00 0.00 H > ATOM 22 3HB ALA A 2 1.320 3.889 -3.047 1.00 0.00 H > ATOM 23 N ALA A 3 0.469 4.273 -0.256 1.00 0.00 N > ATOM 24 CA ALA A 3 -0.312 5.133 0.624 1.00 0.00 C > ATOM 25 C ALA A 3 0.097 4.948 2.080 1.00 0.00 C > ATOM 26 O ALA A 3 0.153 5.910 2.846 1.00 0.00 O > ATOM 27 CB ALA A 3 -1.798 4.856 0.453 1.00 0.00 C > ATOM 28 H ALA A 3 -0.002 3.554 -0.786 1.00 0.00 H > ATOM 29 HA ALA A 3 -0.112 6.169 0.351 1.00 0.00 H > ATOM 30 1HB ALA A 3 -2.369 5.506 1.117 1.00 0.00 H > ATOM 31 2HB ALA A 3 -2.088 5.049 -0.580 1.00 0.00 H > ATOM 32 3HB ALA A 3 -2.005 3.816 0.699 1.00 0.00 H > ATOM 33 N ALA A 4 0.382 3.706 2.456 1.00 0.00 N > ATOM 34 CA ALA A 4 0.837 3.400 3.807 1.00 0.00 C > ATOM 35 C ALA A 4 2.201 4.019 4.082 1.00 0.00 C > ATOM 36 O ALA A 4 2.471 4.482 5.191 1.00 0.00 O > ATOM 37 CB ALA A 4 0.887 1.894 4.021 1.00 0.00 C > ATOM 38 H ALA A 4 0.281 2.954 1.789 1.00 0.00 H > ATOM 39 HA ALA A 4 0.125 3.833 4.510 1.00 0.00 H > ATOM 40 1HB ALA A 4 1.228 1.681 5.034 1.00 0.00 H > ATOM 41 2HB ALA A 4 -0.109 1.473 3.877 1.00 0.00 H > ATOM 42 3HB ALA A 4 1.575 1.448 3.305 1.00 0.00 H > ATOM 43 N ALA A 5 3.058 4.024 3.067 1.00 0.00 N > ATOM 44 CA ALA A 5 4.357 4.680 3.165 1.00 0.00 C > ATOM 45 C ALA A 5 4.203 6.189 3.305 1.00 0.00 C > ATOM 46 O ALA A 5 4.923 6.828 4.072 1.00 0.00 O > ATOM 47 CB ALA A 5 5.212 4.346 1.951 1.00 0.00 C > ATOM 48 H ALA A 5 2.804 3.562 2.206 1.00 0.00 H > ATOM 49 HA ALA A 5 4.856 4.311 4.061 1.00 0.00 H > ATOM 50 1HB ALA A 5 6.178 4.843 2.039 1.00 0.00 H > ATOM 51 2HB ALA A 5 5.362 3.268 1.898 1.00 0.00 H > ATOM 52 3HB ALA A 5 4.709 4.688 1.048 1.00 0.00 H > ATOM 53 N ALA A 6 3.259 6.754 2.559 1.00 0.00 N > ATOM 54 CA ALA A 6 2.951 8.176 2.661 1.00 0.00 C > ATOM 55 C ALA A 6 2.450 8.532 4.054 1.00 0.00 C > ATOM 56 O ALA A 6 2.812 9.571 4.607 1.00 0.00 O > ATOM 57 CB ALA A 6 1.922 8.571 1.612 1.00 0.00 C > ATOM 58 H ALA A 6 2.742 6.184 1.905 1.00 0.00 H > ATOM 59 HA ALA A 6 3.869 8.735 2.482 1.00 0.00 H > ATOM 60 1HB ALA A 6 1.702 9.635 1.700 1.00 0.00 H > ATOM 61 2HB ALA A 6 2.317 8.364 0.617 1.00 0.00 H > ATOM 62 3HB ALA A 6 1.008 7.998 1.765 1.00 0.00 H > ATOM 63 N ALA A 7 1.615 7.665 4.617 1.00 0.00 N > ATOM 64 CA ALA A 7 1.119 7.852 5.976 1.00 0.00 C > ATOM 65 C ALA A 7 2.248 7.757 6.993 1.00 0.00 C > ATOM 66 O ALA A 7 2.616 8.750 7.621 1.00 0.00 O > ATOM 67 CB ALA A 7 0.037 6.828 6.289 1.00 0.00 C > ATOM 68 H ALA A 7 1.317 6.857 4.091 1.00 0.00 H > ATOM 69 HA ALA A 7 0.689 8.851 6.045 1.00 0.00 H > ATOM 70 1HB ALA A 7 -0.324 6.980 7.306 1.00 0.00 H > ATOM 71 2HB ALA A 7 -0.790 6.947 5.589 1.00 0.00 H > ATOM 72 3HB ALA A 7 0.449 5.824 6.197 1.00 0.00 H > ATOM 73 N ALA A 8 2.796 6.557 7.152 1.00 0.00 N > ATOM 74 CA ALA A 8 3.816 6.308 8.163 1.00 0.00 C > ATOM 75 C ALA A 8 5.156 5.972 7.522 1.00 0.00 C > ATOM 76 O ALA A 8 6.188 6.538 7.885 1.00 0.00 O > ATOM 77 CB ALA A 8 3.378 5.186 9.092 1.00 0.00 C > ATOM 78 H ALA A 8 2.497 5.798 6.557 1.00 0.00 H > ATOM 79 HA ALA A 8 3.944 7.220 8.747 1.00 0.00 H > ATOM 80 1HB ALA A 8 4.150 5.012 9.842 1.00 0.00 H > ATOM 81 2HB ALA A 8 2.448 5.465 9.588 1.00 0.00 H > ATOM 82 3HB ALA A 8 3.222 4.276 8.515 1.00 0.00 H > ATOM 83 N ALA A 9 5.135 5.049 6.567 1.00 0.00 N > ATOM 84 CA ALA A 9 6.358 4.584 5.924 1.00 0.00 C > ATOM 85 C ALA A 9 6.995 5.688 5.090 1.00 0.00 C > ATOM 86 O ALA A 9 8.189 5.962 5.213 1.00 0.00 O > ATOM 87 CB ALA A 9 6.071 3.366 5.058 1.00 0.00 C > ATOM 88 H ALA A 9 4.249 4.659 6.280 1.00 0.00 H > ATOM 89 HA ALA A 9 7.066 4.304 6.704 1.00 0.00 H > ATOM 90 1HB ALA A 9 6.994 3.031 4.584 1.00 0.00 H > ATOM 91 2HB ALA A 9 5.670 2.565 5.679 1.00 0.00 H > ATOM 92 3HB ALA A 9 5.344 3.628 4.291 1.00 0.00 H > ATOM 93 N ALA A 10 6.192 6.319 4.240 1.00 0.00 N > ATOM 94 CA ALA A 10 6.639 7.485 3.487 1.00 0.00 C > ATOM 95 C ALA A 10 6.652 8.733 4.360 1.00 0.00 C > ATOM 96 O ALA A 10 7.692 9.116 4.896 1.00 0.00 O > ATOM 97 CB ALA A 10 5.751 7.701 2.270 1.00 0.00 C > ATOM 98 H ALA A 10 5.249 5.983 4.113 1.00 0.00 H > ATOM 99 HA ALA A 10 7.659 7.301 3.151 1.00 0.00 H > ATOM 100 1HB ALA A 10 6.097 8.575 1.717 1.00 0.00 H > ATOM 101 2HB ALA A 10 5.797 6.823 1.625 1.00 0.00 H > ATOM 102 3HB ALA A 10 4.723 7.860 2.593 1.00 0.00 H > ATOM 103 N ALA A 11 5.491 9.364 4.499 1.00 0.00 N > ATOM 104 CA ALA A 11 5.361 10.554 5.332 1.00 0.00 C > ATOM 105 C ALA A 11 5.326 10.190 6.811 1.00 0.00 C > ATOM 106 O ALA A 11 6.344 10.250 7.499 1.00 0.00 O > ATOM 107 CB ALA A 11 4.113 11.335 4.949 1.00 0.00 C > ATOM 108 H ALA A 11 4.678 9.011 4.016 1.00 0.00 H > ATOM 109 HA ALA A 11 6.236 11.182 5.164 1.00 0.00 H > ATOM 110 1HB ALA A 11 4.030 12.220 5.580 1.00 0.00 H > ATOM 111 2HB ALA A 11 4.180 11.638 3.904 1.00 0.00 H > ATOM 112 3HB ALA A 11 3.234 10.707 5.089 1.00 0.00 H > ATOM 113 N ALA A 12 4.147 9.813 7.294 1.00 0.00 N > ATOM 114 CA ALA A 12 3.972 9.456 8.696 1.00 0.00 C > ATOM 115 C ALA A 12 4.776 8.211 9.052 1.00 0.00 C > ATOM 116 O ALA A 12 5.240 8.063 10.182 1.00 0.00 O > ATOM 117 CB ALA A 12 2.498 9.241 9.009 1.00 0.00 C > ATOM 118 H ALA A 12 3.351 9.772 6.673 1.00 0.00 H > ATOM 119 HA ALA A 12 4.345 10.280 9.305 1.00 0.00 H > ATOM 120 1HB ALA A 12 2.384 8.975 10.060 1.00 0.00 H > ATOM 121 2HB ALA A 12 1.946 10.158 8.805 1.00 0.00 H > ATOM 122 3HB ALA A 12 2.109 8.436 8.387 1.00 0.00 H > ATOM 123 N ALA A 13 4.936 7.319 8.081 1.00 0.00 N > ATOM 124 CA ALA A 13 5.676 6.081 8.293 1.00 0.00 C > ATOM 125 C ALA A 13 7.152 6.357 8.549 1.00 0.00 C > ATOM 126 O ALA A 13 7.750 5.791 9.464 1.00 0.00 O > ATOM 127 CB ALA A 13 5.511 5.154 7.097 1.00 0.00 C > ATOM 128 H ALA A 13 4.536 7.504 7.172 1.00 0.00 H > ATOM 129 HA ALA A 13 5.269 5.591 9.178 1.00 0.00 H > ATOM 130 1HB ALA A 13 6.069 4.234 7.271 1.00 0.00 H > ATOM 131 2HB ALA A 13 4.455 4.918 6.962 1.00 0.00 H > ATOM 132 3HB ALA A 13 5.890 5.644 6.202 1.00 0.00 H > ATOM 133 N ALA A 14 7.734 7.231 7.735 1.00 0.00 N > ATOM 134 CA ALA A 14 9.168 7.490 7.789 1.00 0.00 C > ATOM 135 C ALA A 14 9.467 8.789 8.526 1.00 0.00 C > ATOM 136 O ALA A 14 10.113 8.785 9.574 1.00 0.00 O > ATOM 137 CB ALA A 14 9.752 7.532 6.384 1.00 0.00 C > ATOM 138 H ALA A 14 7.170 7.730 7.063 1.00 0.00 H > ATOM 139 HA ALA A 14 9.639 6.676 8.342 1.00 0.00 H > ATOM 140 1HB ALA A 14 10.823 7.726 6.441 1.00 0.00 H > ATOM 141 2HB ALA A 14 9.582 6.575 5.890 1.00 0.00 H > ATOM 142 3HB ALA A 14 9.270 8.325 5.814 1.00 0.00 H > ATOM 143 N ALA A 15 8.993 9.900 7.972 1.00 0.00 N > ATOM 144 CA ALA A 15 9.287 11.217 8.524 1.00 0.00 C > ATOM 145 C ALA A 15 8.789 11.337 9.958 1.00 0.00 C > ATOM 146 O ALA A 15 9.535 11.734 10.853 1.00 0.00 O > ATOM 147 CB ALA A 15 8.670 12.304 7.656 1.00 0.00 C > ATOM 148 H ALA A 15 8.414 9.830 7.147 1.00 0.00 H > ATOM 149 HA ALA A 15 10.370 11.346 8.534 1.00 0.00 H > ATOM 150 1HB ALA A 15 8.898 13.282 8.081 1.00 0.00 H > ATOM 151 2HB ALA A 15 9.080 12.242 6.648 1.00 0.00 H > ATOM 152 3HB ALA A 15 7.590 12.169 7.618 1.00 0.00 H > ATOM 153 N ALA A 16 7.524 10.992 10.171 1.00 0.00 N > ATOM 154 CA ALA A 16 6.930 11.039 11.502 1.00 0.00 C > ATOM 155 C ALA A 16 7.555 9.997 12.420 1.00 0.00 C > ATOM 156 O ALA A 16 8.300 10.333 13.341 1.00 0.00 O > ATOM 157 CB ALA A 16 5.425 10.835 11.417 1.00 0.00 C > ATOM 158 H ALA A 16 6.959 10.689 9.390 1.00 0.00 H > ATOM 159 HA ALA A 16 7.130 12.022 11.927 1.00 0.00 H > ATOM 160 1HB ALA A 16 4.996 10.873 12.419 1.00 0.00 H > ATOM 161 2HB ALA A 16 4.985 11.622 10.805 1.00 0.00 H > ATOM 162 3HB ALA A 16 5.214 9.866 10.969 1.00 0.00 H > ATOM 163 N ALA A 17 7.247 8.730 12.165 1.00 0.00 N > ATOM 164 CA ALA A 17 7.687 7.644 13.034 1.00 0.00 C > ATOM 165 C ALA A 17 9.205 7.516 13.028 1.00 0.00 C > ATOM 166 O ALA A 17 9.866 7.815 14.022 1.00 0.00 O > ATOM 167 CB ALA A 17 7.044 6.332 12.609 1.00 0.00 C > ATOM 168 H ALA A 17 6.694 8.513 11.349 1.00 0.00 H > ATOM 169 HA ALA A 17 7.375 7.877 14.052 1.00 0.00 H > ATOM 170 1HB ALA A 17 7.382 5.532 13.267 1.00 0.00 H > ATOM 171 2HB ALA A 17 5.959 6.421 12.674 1.00 0.00 H > ATOM 172 3HB ALA A 17 7.328 6.103 11.584 1.00 0.00 H > ATOM 173 N ALA A 18 9.752 7.069 11.903 1.00 0.00 N > ATOM 174 CA ALA A 18 11.186 6.832 11.790 1.00 0.00 C > ATOM 175 C ALA A 18 11.973 8.126 11.955 1.00 0.00 C > ATOM 176 O ALA A 18 12.673 8.315 12.949 1.00 0.00 O > ATOM 177 CB ALA A 18 11.512 6.182 10.453 1.00 0.00 C > ATOM 178 H ALA A 18 9.159 6.888 11.106 1.00 0.00 H > ATOM 179 HA ALA A 18 11.482 6.156 12.592 1.00 0.00 H > ATOM 180 1HB ALA A 18 12.586 6.011 10.383 1.00 0.00 H > ATOM 181 2HB ALA A 18 10.987 5.229 10.374 1.00 0.00 H > ATOM 182 3HB ALA A 18 11.195 6.838 9.643 1.00 0.00 H > ATOM 183 N ALA A 19 11.854 9.014 10.974 1.00 0.00 N > ATOM 184 CA ALA A 19 12.640 10.241 10.952 1.00 0.00 C > ATOM 185 C ALA A 19 12.273 11.152 12.117 1.00 0.00 C > ATOM 186 O ALA A 19 13.044 11.306 13.064 1.00 0.00 O > ATOM 187 CB ALA A 19 12.448 10.970 9.630 1.00 0.00 C > ATOM 188 H ALA A 19 11.201 8.834 10.224 1.00 0.00 H > ATOM 189 HA ALA A 19 13.691 9.972 11.057 1.00 0.00 H > ATOM 190 1HB ALA A 19 13.041 11.885 9.629 1.00 0.00 H > ATOM 191 2HB ALA A 19 12.770 10.328 8.810 1.00 0.00 H > ATOM 192 3HB ALA A 19 11.396 11.221 9.503 1.00 0.00 H > ATOM 193 N ALA A 20 11.090 11.753 12.041 1.00 0.00 N > ATOM 194 CA ALA A 20 10.660 12.724 13.040 1.00 0.00 C > ATOM 195 C ALA A 20 9.766 12.076 14.089 1.00 0.00 C > ATOM 196 O ALA A 20 9.886 12.359 15.281 1.00 0.00 O > ATOM 197 CB ALA A 20 9.936 13.885 12.372 1.00 0.00 C > ATOM 198 H ALA A 20 10.474 11.531 11.273 1.00 0.00 H > ATOM 199 HA ALA A 20 11.547 13.106 13.546 1.00 0.00 H > ATOM 200 1HB ALA A 20 9.621 14.602 13.130 1.00 0.00 H > ATOM 201 2HB ALA A 20 10.608 14.375 11.667 1.00 0.00 H > ATOM 202 3HB ALA A 20 9.063 13.511 11.841 1.00 0.00 H > ATOM 203 N ALA A 21 8.868 11.206 13.639 1.00 0.00 N > ATOM 204 CA ALA A 21 7.931 10.540 14.534 1.00 0.00 C > ATOM 205 C ALA A 21 8.661 9.664 15.544 1.00 0.00 C > ATOM 206 O ALA A 21 8.274 9.588 16.710 1.00 0.00 O > ATOM 207 CB ALA A 21 6.935 9.710 13.737 1.00 0.00 C > ATOM 208 H ALA A 21 8.835 11.001 12.650 1.00 0.00 H > ATOM 209 HA ALA A 21 7.388 11.306 15.088 1.00 0.00 H > ATOM 210 1HB ALA A 21 6.241 9.219 14.420 1.00 0.00 H > ATOM 211 2HB ALA A 21 6.379 10.360 13.061 1.00 0.00 H > ATOM 212 3HB ALA A 21 7.469 8.958 13.159 1.00 0.00 H > ATOM 213 N ALA A 22 9.720 9.002 15.089 1.00 0.00 N > ATOM 214 CA ALA A 22 10.526 8.155 15.959 1.00 0.00 C > ATOM 215 C ALA A 22 12.013 8.426 15.770 1.00 0.00 C > ATOM 216 O ALA A 22 12.694 8.876 16.691 1.00 0.00 O > ATOM 217 CB ALA A 22 10.220 6.687 15.700 1.00 0.00 C > ATOM 218 H ALA A 22 9.973 9.089 14.115 1.00 0.00 H > ATOM 219 HA ALA A 22 10.272 8.391 16.992 1.00 0.00 H > ATOM 220 1HB ALA A 22 10.829 6.066 16.358 1.00 0.00 H > ATOM 221 2HB ALA A 22 9.165 6.495 15.896 1.00 0.00 H > ATOM 222 3HB ALA A 22 10.445 6.446 14.663 1.00 0.00 H > ATOM 223 N ALA A 23 12.511 8.151 14.569 1.00 0.00 N > ATOM 224 CA ALA A 23 13.912 8.398 14.246 1.00 0.00 C > ATOM 225 C ALA A 23 14.147 9.862 13.897 1.00 0.00 C > ATOM 226 O ALA A 23 15.283 10.335 13.898 1.00 0.00 O > ATOM 227 CB ALA A 23 14.356 7.503 13.099 1.00 0.00 C > ATOM 228 H ALA A 23 11.905 7.761 13.862 1.00 0.00 H > ATOM 229 HA ALA A 23 14.509 8.164 15.128 1.00 0.00 H > ATOM 230 1HB ALA A 23 15.404 7.698 12.869 1.00 0.00 H > ATOM 231 2HB ALA A 23 14.237 6.458 13.385 1.00 0.00 H > ATOM 232 3HB ALA A 23 13.748 7.710 12.220 1.00 0.00 H > ATOM 233 N ALA A 24 13.066 10.575 13.599 1.00 0.00 N > ATOM 234 CA ALA A 24 13.152 11.989 13.254 1.00 0.00 C > ATOM 235 C ALA A 24 11.803 12.678 13.414 1.00 0.00 C > ATOM 236 O ALA A 24 10.754 12.056 13.248 1.00 0.00 O > ATOM 237 OXT ALA A 24 11.755 13.841 13.706 1.00 0.00 O > ATOM 238 CB ALA A 24 13.667 12.157 11.832 1.00 0.00 C > ATOM 239 H ALA A 24 12.162 10.126 13.612 1.00 0.00 H > ATOM 240 HA ALA A 24 13.853 12.463 13.942 1.00 0.00 H > ATOM 241 1HB ALA A 24 13.726 13.218 11.589 1.00 0.00 H > ATOM 242 2HB ALA A 24 14.658 11.710 11.749 1.00 0.00 H > ATOM 243 3HB ALA A 24 12.987 11.663 11.139 1.00 0.00 H 526,550c526,550 < pose -133.903 17236.4 78.2267 0.02103 4.39014 0 -3.03556 -8.49889 0 0 0 4.17516 1.25716 0 -4.30757 0 18.5698 17193.3 < ALA:NtermProteinFull_1 -1.86929 0.18965 1.51208 0.00105 0.48862 0 0 0 0 0 0 0 0.05502 0 0 0 0.77374 1.15088 < ALA_2 -2.07184 0.21344 1.27725 0.00092 0.23331 0 0 0 0 0 0 -0.19136 0.01953 0 -0.21494 0 0.77374 0.04006 < ALA_3 -3.06312 0.25832 1.8619 0.00094 -0.07552 0 0 0 0 0 0 -0.28223 0.05219 0 -0.21112 0 0.77374 -0.6849 < ALA_4 -5.16005 375.789 2.84148 0.00094 0.82197 0 0 0 0 0 0 -0.25155 0.15608 0 -0.23702 0 0.77374 374.735 < ALA_5 -6.0607 426.296 3.09044 0.00089 0.34807 0 0 0 0 0 0 -0.06782 0.0277 0 -0.09954 0 0.77374 424.309 < ALA_6 -5.08796 27.1613 2.71114 0.00087 -0.3813 0 0 0 0 0 0 0.50575 0.191 0 -0.35884 0 0.77374 25.5157 < ALA_7 -4.8367 598.208 2.51243 0.00086 -0.08169 0 0 0 0 0 0 0.01867 0.06267 0 0.01304 0 0.77374 596.671 < ALA_8 -7.37233 1327.27 4.10354 0.0007 0.42941 0 0 0 0 0 0 0.62555 0.05486 0 -0.11702 0 0.77374 1325.77 < ALA_9 -6.31373 1202.36 3.17586 0.00088 0.8438 0 0 0 0 0 0 0.48838 9e-05 0 -0.3838 0 0.77374 1200.94 < ALA_10 -4.63173 298.299 2.27561 0.00088 0.71589 0 0 0 0 0 0 0.48491 0.01601 0 -0.37202 0 0.77374 297.563 < ALA_11 -5.5092 26.4117 3.11858 0.00071 -0.41527 0 0 0 0 0 0 0.7701 0.00497 0 -0.37496 0 0.77374 24.7804 < ALA_12 -6.1414 680.646 3.16017 0.00097 -0.30928 0 0 0 0 0 0 -0.33019 0.00506 0 -0.19955 0 0.77374 677.606 < ALA_13 -7.73328 2128.41 3.93615 0.00093 0.03052 0 0 0 0 0 0 -0.25398 0.23116 0 -0.18981 0 0.77374 2125.2 < ALA_14 -7.59601 314.553 4.44273 0.0007 0.2355 0 0 0 0 0 0 0.64362 0.23181 0 -0.14191 0 0.77374 313.144 < ALA_15 -6.33745 883.553 3.97552 0.00092 1.295 0 0 0 0 0 0 -0.1889 0.00702 0 -0.20888 0 0.77374 882.87 < ALA_16 -6.2304 615.82 3.64703 0.00082 0.62593 0 0 0 0 0 0 0.37678 0.01689 0 0.0501 0 0.77374 615.081 < ALA_17 -5.46246 1.64319 2.92074 0.00087 -0.28494 0 0 0 0 0 0 0.52441 0.03377 0 -0.35917 0 0.77374 -0.20985 < ALA_18 -6.62567 797.137 3.67205 0.00087 -0.27438 0 0 0 0 0 0 0.52536 0.00656 0 -0.41159 0 0.77374 794.804 < ALA_19 -7.17197 1942.49 4.61546 0.00081 -1.12429 0 0 0 0 0 0 0.14586 0.06995 0 0.08095 0 0.77374 1939.88 < ALA_20 -6.70965 1868.13 4.11636 0.00094 0.26071 0 0 0 0 0 0 -0.25448 0.00019 0 -0.24061 0 0.77374 1866.07 < ALA_21 -3.88024 79.815 2.33331 0.00069 0.28213 0 0 0 0 0 0 0.47117 0.01079 0 0.11775 0 0.77374 79.9243 < ALA_22 -3.20949 31.4425 1.92444 0.00068 -0.16167 0 0 0 0 0 0 0.71091 0.00307 0 -0.37467 0 0.77374 31.1095 < ALA_23 -4.14135 665.445 2.26326 0.00106 -0.08194 0 0 0 0 0 0 -0.29582 0.00079 0 -0.07396 0 0.77374 663.891 < ALA:CtermProteinFull_24 -10.6875 2944.84 8.73918 0.00111 0.96956 0 0 0 0 0 0 0 0 0 0 0 0.77374 2944.64 --- > pose -120.973 10785.8 69.6063 0.02131 3.69745 0 -3.69982 -7.87226 0 0 0 3.89074 1.86237 0 -4.18443 0 18.5698 10746.7 > ALA:NtermProteinFull_1 -1.85472 0.1867 1.48483 0.00105 0.45679 0 0 0 0 0 0 0 0.05977 0 0 0 0.77374 1.10815 > ALA_2 -2.10686 0.22831 1.28682 0.00093 0.27786 0 0 0 0 0 0 -0.22909 0.01636 0 -0.23327 0 0.77374 0.01481 > ALA_3 -2.62273 0.26019 1.60601 0.00094 0.07746 0 0 0 0 0 0 -0.2548 0.0375 0 -0.23167 0 0.77374 -0.35336 > ALA_4 -4.01449 0.23657 2.35766 0.00094 -0.22459 0 0 0 0 0 0 -0.26561 0.15262 0 -0.20571 0 0.77374 -1.18888 > ALA_5 -6.39769 328.436 3.24382 0.00092 0.41211 0 0 0 0 0 0 -0.21345 0.09876 0 -0.1957 0 0.77374 326.159 > ALA_6 -4.92135 90.9886 2.51678 0.00093 -0.21873 0 0 0 0 0 0 -0.22029 0.06827 0 -0.23176 0 0.77374 88.7562 > ALA_7 -4.71373 243.644 2.43037 0.00088 0.17313 0 0 0 0 0 0 0.47382 0.13403 0 -0.31706 0 0.77374 242.6 > ALA_8 -6.32892 1164.4 3.61182 0.00069 0.22618 0 0 0 0 0 0 0.47974 0.07035 0 0.11448 0 0.77374 1163.35 > ALA_9 -5.27879 822.656 2.48824 0.00089 0.07861 0 0 0 0 0 0 0.00784 0.26956 0 -0.07844 0 0.77374 820.917 > ALA_10 -5.29286 307.241 2.5821 0.00081 0.62324 0 0 0 0 0 0 0.78928 0.01193 0 -0.11865 0 0.77374 306.611 > ALA_11 -5.37004 51.2291 2.99207 0.00082 -0.07198 0 0 0 0 0 0 0.77171 0.00444 0 -0.12947 0 0.77374 50.2004 > ALA_12 -5.65952 313.381 2.86699 0.00097 0.13831 0 0 0 0 0 0 -0.3312 0.00147 0 -0.19159 0 0.77374 310.98 > ALA_13 -6.79932 1806.64 3.48923 0.00091 -0.31377 0 0 0 0 0 0 -0.10649 0.22247 0 -0.15188 0 0.77374 1803.76 > ALA_14 -5.9817 54.2577 3.58773 0.00071 -0.05297 0 0 0 0 0 0 0.6321 0.12045 0 -0.13204 0 0.77374 53.2058 > ALA_15 -4.83353 30.2914 2.91634 0.00091 0.44643 0 0 0 0 0 0 -0.01485 0.00718 0 -0.10475 0 0.77374 29.4828 > ALA_16 -5.89392 610.3 3.28578 0.00087 0.44519 0 0 0 0 0 0 0.51316 0.16609 0 -0.27922 0 0.77374 609.311 > ALA_17 -5.7047 335.012 3.16173 0.00088 0.31959 0 0 0 0 0 0 0.4928 0.06928 0 -0.38837 0 0.77374 333.737 > ALA_18 -5.52808 186.511 2.98314 0.00088 0.42809 0 0 0 0 0 0 0.48281 0.17709 0 -0.36571 0 0.77374 185.463 > ALA_19 -6.42727 823.192 3.84048 0.00087 -0.39408 0 0 0 0 0 0 0.52863 0.13115 0 -0.4223 0 0.77374 821.223 > ALA_20 -5.64923 849.211 3.77869 0.00076 -0.29663 0 0 0 0 0 0 0.28505 0.01336 0 0.15751 0 0.77374 848.275 > ALA_21 -4.93245 825.621 2.73166 0.00094 0.59609 0 0 0 0 0 0 -0.25515 0.01376 0 -0.23684 0 0.77374 824.312 > ALA_22 -4.1343 116.581 2.27329 0.00068 0.27596 0 0 0 0 0 0 0.62541 0.0159 0 -0.36735 0 0.77374 116.044 > ALA_23 -3.65103 217.489 1.9674 0.00106 0.14573 0 0 0 0 0 0 -0.3007 0.0006 0 -0.07464 0 0.77374 216.351 > ALA:CtermProteinFull_24 -6.87607 1607.77 6.12331 0.00111 0.14943 0 0 0 0 0 0 0 0 0 0 0 0.77374 1607.94 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0016.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0016.pdb 13c13 < ATOM 4 O ALA A 1 2.495 1.908 1.020 1.00 0.00 O --- > ATOM 4 O ALA A 1 2.436 1.931 1.036 1.00 0.00 O 22,252c22,252 < ATOM 13 N ALA A 2 1.930 2.080 -1.151 1.00 0.00 N < ATOM 14 CA ALA A 2 2.440 3.439 -1.291 1.00 0.00 C < ATOM 15 C ALA A 2 1.661 4.413 -0.418 1.00 0.00 C < ATOM 16 O ALA A 2 2.177 4.918 0.579 1.00 0.00 O < ATOM 17 CB ALA A 2 2.388 3.876 -2.748 1.00 0.00 C < ATOM 18 H ALA A 2 1.505 1.629 -1.948 1.00 0.00 H < ATOM 19 HA ALA A 2 3.478 3.447 -0.957 1.00 0.00 H < ATOM 20 1HB ALA A 2 2.773 4.892 -2.837 1.00 0.00 H < ATOM 21 2HB ALA A 2 2.998 3.203 -3.352 1.00 0.00 H < ATOM 22 3HB ALA A 2 1.359 3.846 -3.100 1.00 0.00 H < ATOM 23 N ALA A 3 0.415 4.675 -0.799 1.00 0.00 N < ATOM 24 CA ALA A 3 -0.417 5.639 -0.089 1.00 0.00 C < ATOM 25 C ALA A 3 -0.793 5.128 1.296 1.00 0.00 C < ATOM 26 O ALA A 3 -0.645 5.837 2.291 1.00 0.00 O < ATOM 27 CB ALA A 3 -1.670 5.952 -0.894 1.00 0.00 C < ATOM 28 H ALA A 3 0.034 4.193 -1.601 1.00 0.00 H < ATOM 29 HA ALA A 3 0.160 6.555 0.038 1.00 0.00 H < ATOM 30 1HB ALA A 3 -2.280 6.674 -0.351 1.00 0.00 H < ATOM 31 2HB ALA A 3 -1.386 6.372 -1.860 1.00 0.00 H < ATOM 32 3HB ALA A 3 -2.240 5.038 -1.049 1.00 0.00 H < ATOM 33 N ALA A 4 -1.279 3.893 1.354 1.00 0.00 N < ATOM 34 CA ALA A 4 -1.794 3.329 2.596 1.00 0.00 C < ATOM 35 C ALA A 4 -0.662 2.847 3.494 1.00 0.00 C < ATOM 36 O ALA A 4 -0.467 3.362 4.595 1.00 0.00 O < ATOM 37 CB ALA A 4 -2.758 2.189 2.301 1.00 0.00 C < ATOM 38 H ALA A 4 -1.291 3.329 0.516 1.00 0.00 H < ATOM 39 HA ALA A 4 -2.330 4.116 3.128 1.00 0.00 H < ATOM 40 1HB ALA A 4 -3.135 1.779 3.238 1.00 0.00 H < ATOM 41 2HB ALA A 4 -3.592 2.563 1.707 1.00 0.00 H < ATOM 42 3HB ALA A 4 -2.239 1.409 1.746 1.00 0.00 H < ATOM 43 N ALA A 5 0.082 1.854 3.017 1.00 0.00 N < ATOM 44 CA ALA A 5 1.104 1.205 3.830 1.00 0.00 C < ATOM 45 C ALA A 5 2.371 2.047 3.898 1.00 0.00 C < ATOM 46 O ALA A 5 2.753 2.524 4.967 1.00 0.00 O < ATOM 47 CB ALA A 5 1.417 -0.179 3.279 1.00 0.00 C < ATOM 48 H ALA A 5 -0.064 1.542 2.068 1.00 0.00 H < ATOM 49 HA ALA A 5 0.716 1.102 4.843 1.00 0.00 H < ATOM 50 1HB ALA A 5 2.182 -0.651 3.896 1.00 0.00 H < ATOM 51 2HB ALA A 5 0.514 -0.789 3.291 1.00 0.00 H < ATOM 52 3HB ALA A 5 1.781 -0.089 2.257 1.00 0.00 H < ATOM 53 N ALA A 6 3.018 2.227 2.752 1.00 0.00 N < ATOM 54 CA ALA A 6 4.298 2.924 2.697 1.00 0.00 C < ATOM 55 C ALA A 6 4.109 4.432 2.787 1.00 0.00 C < ATOM 56 O ALA A 6 4.597 5.074 3.717 1.00 0.00 O < ATOM 57 CB ALA A 6 5.044 2.560 1.421 1.00 0.00 C < ATOM 58 H ALA A 6 2.614 1.872 1.898 1.00 0.00 H < ATOM 59 HA ALA A 6 4.892 2.609 3.555 1.00 0.00 H < ATOM 60 1HB ALA A 6 5.998 3.087 1.395 1.00 0.00 H < ATOM 61 2HB ALA A 6 5.224 1.485 1.399 1.00 0.00 H < ATOM 62 3HB ALA A 6 4.447 2.845 0.557 1.00 0.00 H < ATOM 63 N ALA A 7 3.397 4.993 1.816 1.00 0.00 N < ATOM 64 CA ALA A 7 3.265 6.441 1.700 1.00 0.00 C < ATOM 65 C ALA A 7 2.291 6.990 2.735 1.00 0.00 C < ATOM 66 O ALA A 7 2.676 7.755 3.619 1.00 0.00 O < ATOM 67 CB ALA A 7 2.816 6.822 0.297 1.00 0.00 C < ATOM 68 H ALA A 7 2.934 4.402 1.140 1.00 0.00 H < ATOM 69 HA ALA A 7 4.241 6.886 1.891 1.00 0.00 H < ATOM 70 1HB ALA A 7 2.722 7.905 0.227 1.00 0.00 H < ATOM 71 2HB ALA A 7 3.552 6.473 -0.428 1.00 0.00 H < ATOM 72 3HB ALA A 7 1.852 6.360 0.086 1.00 0.00 H < ATOM 73 N ALA A 8 1.028 6.594 2.620 1.00 0.00 N < ATOM 74 CA ALA A 8 -0.031 7.160 3.448 1.00 0.00 C < ATOM 75 C ALA A 8 -0.015 6.559 4.848 1.00 0.00 C < ATOM 76 O ALA A 8 0.238 7.257 5.830 1.00 0.00 O < ATOM 77 CB ALA A 8 -1.388 6.942 2.794 1.00 0.00 C < ATOM 78 H ALA A 8 0.795 5.884 1.941 1.00 0.00 H < ATOM 79 HA ALA A 8 0.149 8.231 3.542 1.00 0.00 H < ATOM 80 1HB ALA A 8 -2.167 7.370 3.425 1.00 0.00 H < ATOM 81 2HB ALA A 8 -1.403 7.427 1.818 1.00 0.00 H < ATOM 82 3HB ALA A 8 -1.565 5.875 2.672 1.00 0.00 H < ATOM 83 N ALA A 9 -0.286 5.261 4.933 1.00 0.00 N < ATOM 84 CA ALA A 9 -0.411 4.587 6.219 1.00 0.00 C < ATOM 85 C ALA A 9 0.952 4.385 6.870 1.00 0.00 C < ATOM 86 O ALA A 9 1.235 4.947 7.927 1.00 0.00 O < ATOM 87 CB ALA A 9 -1.120 3.252 6.051 1.00 0.00 C < ATOM 88 H ALA A 9 -0.409 4.728 4.084 1.00 0.00 H < ATOM 89 HA ALA A 9 -1.004 5.222 6.878 1.00 0.00 H < ATOM 90 1HB ALA A 9 -1.206 2.761 7.021 1.00 0.00 H < ATOM 91 2HB ALA A 9 -2.116 3.418 5.640 1.00 0.00 H < ATOM 92 3HB ALA A 9 -0.549 2.619 5.374 1.00 0.00 H < ATOM 93 N ALA A 10 1.792 3.578 6.231 1.00 0.00 N < ATOM 94 CA ALA A 10 3.083 3.211 6.800 1.00 0.00 C < ATOM 95 C ALA A 10 4.074 4.364 6.709 1.00 0.00 C < ATOM 96 O ALA A 10 4.524 4.891 7.726 1.00 0.00 O < ATOM 97 CB ALA A 10 3.640 1.979 6.101 1.00 0.00 C < ATOM 98 H ALA A 10 1.530 3.210 5.328 1.00 0.00 H < ATOM 99 HA ALA A 10 2.935 2.981 7.856 1.00 0.00 H < ATOM 100 1HB ALA A 10 4.604 1.717 6.537 1.00 0.00 H < ATOM 101 2HB ALA A 10 2.947 1.146 6.225 1.00 0.00 H < ATOM 102 3HB ALA A 10 3.767 2.190 5.041 1.00 0.00 H < ATOM 103 N ALA A 11 4.411 4.753 5.483 1.00 0.00 N < ATOM 104 CA ALA A 11 5.455 5.744 5.253 1.00 0.00 C < ATOM 105 C ALA A 11 4.962 7.148 5.578 1.00 0.00 C < ATOM 106 O ALA A 11 5.458 7.793 6.502 1.00 0.00 O < ATOM 107 CB ALA A 11 5.944 5.674 3.814 1.00 0.00 C < ATOM 108 H ALA A 11 3.931 4.351 4.691 1.00 0.00 H < ATOM 109 HA ALA A 11 6.287 5.520 5.920 1.00 0.00 H < ATOM 110 1HB ALA A 11 6.723 6.420 3.658 1.00 0.00 H < ATOM 111 2HB ALA A 11 6.347 4.681 3.614 1.00 0.00 H < ATOM 112 3HB ALA A 11 5.113 5.871 3.138 1.00 0.00 H < ATOM 113 N ALA A 12 3.983 7.618 4.812 1.00 0.00 N < ATOM 114 CA ALA A 12 3.501 8.988 4.938 1.00 0.00 C < ATOM 115 C ALA A 12 2.621 9.151 6.171 1.00 0.00 C < ATOM 116 O ALA A 12 2.972 9.873 7.105 1.00 0.00 O < ATOM 117 CB ALA A 12 2.739 9.400 3.687 1.00 0.00 C < ATOM 118 H ALA A 12 3.562 7.010 4.124 1.00 0.00 H < ATOM 119 HA ALA A 12 4.366 9.642 5.056 1.00 0.00 H < ATOM 120 1HB ALA A 12 2.386 10.425 3.797 1.00 0.00 H < ATOM 121 2HB ALA A 12 3.399 9.334 2.821 1.00 0.00 H < ATOM 122 3HB ALA A 12 1.888 8.736 3.545 1.00 0.00 H < ATOM 123 N ALA A 13 1.477 8.475 6.169 1.00 0.00 N < ATOM 124 CA ALA A 13 0.500 8.620 7.241 1.00 0.00 C < ATOM 125 C ALA A 13 0.951 7.889 8.499 1.00 0.00 C < ATOM 126 O ALA A 13 1.203 8.509 9.532 1.00 0.00 O < ATOM 127 CB ALA A 13 -0.860 8.107 6.791 1.00 0.00 C < ATOM 128 H ALA A 13 1.279 7.846 5.404 1.00 0.00 H < ATOM 129 HA ALA A 13 0.416 9.679 7.483 1.00 0.00 H < ATOM 130 1HB ALA A 13 -1.579 8.222 7.603 1.00 0.00 H < ATOM 131 2HB ALA A 13 -1.196 8.679 5.926 1.00 0.00 H < ATOM 132 3HB ALA A 13 -0.782 7.055 6.522 1.00 0.00 H < ATOM 133 N ALA A 14 1.051 6.567 8.406 1.00 0.00 N < ATOM 134 CA ALA A 14 1.344 5.737 9.568 1.00 0.00 C < ATOM 135 C ALA A 14 2.803 5.867 9.985 1.00 0.00 C < ATOM 136 O ALA A 14 3.105 6.342 11.080 1.00 0.00 O < ATOM 137 CB ALA A 14 1.004 4.282 9.279 1.00 0.00 C < ATOM 138 H ALA A 14 0.921 6.126 7.506 1.00 0.00 H < ATOM 139 HA ALA A 14 0.727 6.085 10.397 1.00 0.00 H < ATOM 140 1HB ALA A 14 1.228 3.675 10.156 1.00 0.00 H < ATOM 141 2HB ALA A 14 -0.056 4.196 9.039 1.00 0.00 H < ATOM 142 3HB ALA A 14 1.596 3.932 8.435 1.00 0.00 H < ATOM 143 N ALA A 15 3.704 5.443 9.106 1.00 0.00 N < ATOM 144 CA ALA A 15 5.125 5.396 9.428 1.00 0.00 C < ATOM 145 C ALA A 15 5.744 6.788 9.395 1.00 0.00 C < ATOM 146 O ALA A 15 6.199 7.300 10.418 1.00 0.00 O < ATOM 147 CB ALA A 15 5.856 4.470 8.467 1.00 0.00 C < ATOM 148 H ALA A 15 3.397 5.146 8.191 1.00 0.00 H < ATOM 149 HA ALA A 15 5.230 5.008 10.441 1.00 0.00 H < ATOM 150 1HB ALA A 15 6.916 4.445 8.720 1.00 0.00 H < ATOM 151 2HB ALA A 15 5.441 3.465 8.544 1.00 0.00 H < ATOM 152 3HB ALA A 15 5.735 4.834 7.448 1.00 0.00 H < ATOM 153 N ALA A 16 5.759 7.395 8.214 1.00 0.00 N < ATOM 154 CA ALA A 16 6.413 8.685 8.024 1.00 0.00 C < ATOM 155 C ALA A 16 5.578 9.817 8.609 1.00 0.00 C < ATOM 156 O ALA A 16 6.002 10.491 9.548 1.00 0.00 O < ATOM 157 CB ALA A 16 6.677 8.932 6.545 1.00 0.00 C < ATOM 158 H ALA A 16 5.306 6.953 7.427 1.00 0.00 H < ATOM 159 HA ALA A 16 7.365 8.663 8.553 1.00 0.00 H < ATOM 160 1HB ALA A 16 7.165 9.898 6.420 1.00 0.00 H < ATOM 161 2HB ALA A 16 7.322 8.145 6.155 1.00 0.00 H < ATOM 162 3HB ALA A 16 5.733 8.929 6.002 1.00 0.00 H < ATOM 163 N ALA A 17 4.391 10.021 8.049 1.00 0.00 N < ATOM 164 CA ALA A 17 3.542 11.141 8.438 1.00 0.00 C < ATOM 165 C ALA A 17 2.860 10.877 9.774 1.00 0.00 C < ATOM 166 O ALA A 17 3.057 11.615 10.739 1.00 0.00 O < ATOM 167 CB ALA A 17 2.505 11.419 7.360 1.00 0.00 C < ATOM 168 H ALA A 17 4.067 9.383 7.336 1.00 0.00 H < ATOM 169 HA ALA A 17 4.175 12.021 8.554 1.00 0.00 H < ATOM 170 1HB ALA A 17 1.879 12.258 7.665 1.00 0.00 H < ATOM 171 2HB ALA A 17 3.009 11.663 6.425 1.00 0.00 H < ATOM 172 3HB ALA A 17 1.884 10.537 7.217 1.00 0.00 H < ATOM 173 N ALA A 18 2.057 9.820 9.824 1.00 0.00 N < ATOM 174 CA ALA A 18 1.212 9.553 10.982 1.00 0.00 C < ATOM 175 C ALA A 18 2.042 9.088 12.172 1.00 0.00 C < ATOM 176 O ALA A 18 2.033 9.717 13.231 1.00 0.00 O < ATOM 177 CB ALA A 18 0.153 8.516 10.638 1.00 0.00 C < ATOM 178 H ALA A 18 2.030 9.185 9.039 1.00 0.00 H < ATOM 179 HA ALA A 18 0.718 10.483 11.262 1.00 0.00 H < ATOM 180 1HB ALA A 18 -0.469 8.328 11.513 1.00 0.00 H < ATOM 181 2HB ALA A 18 -0.469 8.888 9.824 1.00 0.00 H < ATOM 182 3HB ALA A 18 0.637 7.590 10.331 1.00 0.00 H < ATOM 183 N ALA A 19 2.757 7.983 11.993 1.00 0.00 N < ATOM 184 CA ALA A 19 3.501 7.366 13.084 1.00 0.00 C < ATOM 185 C ALA A 19 4.977 7.735 13.023 1.00 0.00 C < ATOM 186 O ALA A 19 5.524 8.305 13.968 1.00 0.00 O < ATOM 187 CB ALA A 19 3.332 5.854 13.052 1.00 0.00 C < ATOM 188 H ALA A 19 2.787 7.560 11.076 1.00 0.00 H < ATOM 189 HA ALA A 19 3.100 7.746 14.024 1.00 0.00 H < ATOM 190 1HB ALA A 19 3.893 5.408 13.873 1.00 0.00 H < ATOM 191 2HB ALA A 19 2.277 5.603 13.155 1.00 0.00 H < ATOM 192 3HB ALA A 19 3.706 5.467 12.105 1.00 0.00 H < ATOM 193 N ALA A 20 5.618 7.408 11.907 1.00 0.00 N < ATOM 194 CA ALA A 20 7.060 7.582 11.771 1.00 0.00 C < ATOM 195 C ALA A 20 7.431 9.057 11.690 1.00 0.00 C < ATOM 196 O ALA A 20 8.206 9.558 12.505 1.00 0.00 O < ATOM 197 CB ALA A 20 7.570 6.840 10.545 1.00 0.00 C < ATOM 198 H ALA A 20 5.094 7.028 11.131 1.00 0.00 H < ATOM 199 HA ALA A 20 7.536 7.166 12.659 1.00 0.00 H < ATOM 200 1HB ALA A 20 8.648 6.980 10.457 1.00 0.00 H < ATOM 201 2HB ALA A 20 7.349 5.777 10.644 1.00 0.00 H < ATOM 202 3HB ALA A 20 7.080 7.230 9.654 1.00 0.00 H < ATOM 203 N ALA A 21 6.873 9.749 10.702 1.00 0.00 N < ATOM 204 CA ALA A 21 7.191 11.154 10.476 1.00 0.00 C < ATOM 205 C ALA A 21 6.582 12.038 11.557 1.00 0.00 C < ATOM 206 O ALA A 21 7.297 12.735 12.277 1.00 0.00 O < ATOM 207 CB ALA A 21 6.708 11.592 9.101 1.00 0.00 C < ATOM 208 H ALA A 21 6.212 9.290 10.092 1.00 0.00 H < ATOM 209 HA ALA A 21 8.274 11.268 10.522 1.00 0.00 H < ATOM 210 1HB ALA A 21 6.952 12.643 8.947 1.00 0.00 H < ATOM 211 2HB ALA A 21 7.196 10.989 8.335 1.00 0.00 H < ATOM 212 3HB ALA A 21 5.629 11.457 9.035 1.00 0.00 H < ATOM 213 N ALA A 22 5.259 12.004 11.666 1.00 0.00 N < ATOM 214 CA ALA A 22 4.556 12.749 12.703 1.00 0.00 C < ATOM 215 C ALA A 22 4.152 11.840 13.857 1.00 0.00 C < ATOM 216 O ALA A 22 4.599 12.022 14.989 1.00 0.00 O < ATOM 217 CB ALA A 22 3.332 13.442 12.122 1.00 0.00 C < ATOM 218 H ALA A 22 4.725 11.447 11.013 1.00 0.00 H < ATOM 219 HA ALA A 22 5.236 13.505 13.096 1.00 0.00 H < ATOM 220 1HB ALA A 22 2.818 13.994 12.908 1.00 0.00 H < ATOM 221 2HB ALA A 22 3.643 14.132 11.337 1.00 0.00 H < ATOM 222 3HB ALA A 22 2.658 12.697 11.702 1.00 0.00 H < ATOM 223 N ALA A 23 3.303 10.861 13.563 1.00 0.00 N < ATOM 224 CA ALA A 23 2.922 9.856 14.547 1.00 0.00 C < ATOM 225 C ALA A 23 3.645 8.538 14.297 1.00 0.00 C < ATOM 226 O ALA A 23 3.759 7.702 15.193 1.00 0.00 O < ATOM 227 CB ALA A 23 1.416 9.643 14.532 1.00 0.00 C < ATOM 228 H ALA A 23 2.912 10.812 12.633 1.00 0.00 H < ATOM 229 HA ALA A 23 3.218 10.217 15.532 1.00 0.00 H < ATOM 230 1HB ALA A 23 1.147 8.889 15.272 1.00 0.00 H < ATOM 231 2HB ALA A 23 0.913 10.581 14.770 1.00 0.00 H < ATOM 232 3HB ALA A 23 1.106 9.307 13.544 1.00 0.00 H < ATOM 233 N ALA A 24 4.133 8.360 13.074 1.00 0.00 N < ATOM 234 CA ALA A 24 4.891 7.166 12.718 1.00 0.00 C < ATOM 235 C ALA A 24 6.225 7.531 12.079 1.00 0.00 C < ATOM 236 O ALA A 24 6.350 8.568 11.429 1.00 0.00 O < ATOM 237 OXT ALA A 24 7.170 6.803 12.207 1.00 0.00 O < ATOM 238 CB ALA A 24 4.079 6.283 11.781 1.00 0.00 C < ATOM 239 H ALA A 24 3.975 9.069 12.373 1.00 0.00 H < ATOM 240 HA ALA A 24 5.099 6.612 13.633 1.00 0.00 H < ATOM 241 1HB ALA A 24 4.658 5.396 11.525 1.00 0.00 H < ATOM 242 2HB ALA A 24 3.155 5.983 12.274 1.00 0.00 H < ATOM 243 3HB ALA A 24 3.843 6.837 10.874 1.00 0.00 H --- > ATOM 13 N ALA A 2 1.997 2.054 -1.168 1.00 0.00 N > ATOM 14 CA ALA A 2 2.528 3.404 -1.312 1.00 0.00 C > ATOM 15 C ALA A 2 1.724 4.403 -0.490 1.00 0.00 C > ATOM 16 O ALA A 2 2.201 4.915 0.523 1.00 0.00 O > ATOM 17 CB ALA A 2 2.542 3.814 -2.778 1.00 0.00 C > ATOM 18 H ALA A 2 1.609 1.589 -1.976 1.00 0.00 H > ATOM 19 HA ALA A 2 3.551 3.408 -0.935 1.00 0.00 H > ATOM 20 1HB ALA A 2 2.942 4.824 -2.869 1.00 0.00 H > ATOM 21 2HB ALA A 2 3.169 3.124 -3.342 1.00 0.00 H > ATOM 22 3HB ALA A 2 1.528 3.788 -3.172 1.00 0.00 H > ATOM 23 N ALA A 3 0.502 4.678 -0.933 1.00 0.00 N > ATOM 24 CA ALA A 3 -0.358 5.643 -0.259 1.00 0.00 C > ATOM 25 C ALA A 3 -0.782 5.139 1.114 1.00 0.00 C > ATOM 26 O ALA A 3 -0.793 5.893 2.087 1.00 0.00 O > ATOM 27 CB ALA A 3 -1.581 5.949 -1.111 1.00 0.00 C > ATOM 28 H ALA A 3 0.160 4.206 -1.758 1.00 0.00 H > ATOM 29 HA ALA A 3 0.211 6.562 -0.116 1.00 0.00 H > ATOM 30 1HB ALA A 3 -2.214 6.671 -0.595 1.00 0.00 H > ATOM 31 2HB ALA A 3 -1.264 6.364 -2.068 1.00 0.00 H > ATOM 32 3HB ALA A 3 -2.143 5.032 -1.282 1.00 0.00 H > ATOM 33 N ALA A 4 -1.132 3.859 1.186 1.00 0.00 N > ATOM 34 CA ALA A 4 -1.684 3.284 2.407 1.00 0.00 C > ATOM 35 C ALA A 4 -0.579 2.846 3.359 1.00 0.00 C > ATOM 36 O ALA A 4 -0.371 3.457 4.407 1.00 0.00 O > ATOM 37 CB ALA A 4 -2.592 2.108 2.075 1.00 0.00 C > ATOM 38 H ALA A 4 -1.013 3.270 0.375 1.00 0.00 H > ATOM 39 HA ALA A 4 -2.272 4.053 2.908 1.00 0.00 H > ATOM 40 1HB ALA A 4 -2.997 1.689 2.996 1.00 0.00 H > ATOM 41 2HB ALA A 4 -3.411 2.449 1.441 1.00 0.00 H > ATOM 42 3HB ALA A 4 -2.021 1.345 1.550 1.00 0.00 H > ATOM 43 N ALA A 5 0.129 1.784 2.988 1.00 0.00 N > ATOM 44 CA ALA A 5 1.149 1.203 3.852 1.00 0.00 C > ATOM 45 C ALA A 5 2.419 2.045 3.849 1.00 0.00 C > ATOM 46 O ALA A 5 2.823 2.581 4.881 1.00 0.00 O > ATOM 47 CB ALA A 5 1.459 -0.223 3.421 1.00 0.00 C > ATOM 48 H ALA A 5 -0.045 1.369 2.084 1.00 0.00 H > ATOM 49 HA ALA A 5 0.761 1.188 4.871 1.00 0.00 H > ATOM 50 1HB ALA A 5 2.222 -0.643 4.076 1.00 0.00 H > ATOM 51 2HB ALA A 5 0.554 -0.827 3.485 1.00 0.00 H > ATOM 52 3HB ALA A 5 1.822 -0.222 2.395 1.00 0.00 H > ATOM 53 N ALA A 6 3.045 2.158 2.682 1.00 0.00 N > ATOM 54 CA ALA A 6 4.314 2.864 2.559 1.00 0.00 C > ATOM 55 C ALA A 6 4.110 4.373 2.594 1.00 0.00 C > ATOM 56 O ALA A 6 4.631 5.060 3.473 1.00 0.00 O > ATOM 57 CB ALA A 6 5.025 2.456 1.276 1.00 0.00 C > ATOM 58 H ALA A 6 2.630 1.743 1.859 1.00 0.00 H > ATOM 59 HA ALA A 6 4.937 2.592 3.410 1.00 0.00 H > ATOM 60 1HB ALA A 6 5.971 2.992 1.199 1.00 0.00 H > ATOM 61 2HB ALA A 6 5.216 1.383 1.292 1.00 0.00 H > ATOM 62 3HB ALA A 6 4.398 2.701 0.420 1.00 0.00 H > ATOM 63 N ALA A 7 3.349 4.885 1.632 1.00 0.00 N > ATOM 64 CA ALA A 7 3.203 6.325 1.456 1.00 0.00 C > ATOM 65 C ALA A 7 2.250 6.913 2.488 1.00 0.00 C > ATOM 66 O ALA A 7 2.649 7.722 3.325 1.00 0.00 O > ATOM 67 CB ALA A 7 2.717 6.639 0.048 1.00 0.00 C > ATOM 68 H ALA A 7 2.859 4.261 1.008 1.00 0.00 H > ATOM 69 HA ALA A 7 4.180 6.785 1.603 1.00 0.00 H > ATOM 70 1HB ALA A 7 2.613 7.718 -0.068 1.00 0.00 H > ATOM 71 2HB ALA A 7 3.438 6.264 -0.678 1.00 0.00 H > ATOM 72 3HB ALA A 7 1.753 6.162 -0.118 1.00 0.00 H > ATOM 73 N ALA A 8 0.988 6.500 2.424 1.00 0.00 N > ATOM 74 CA ALA A 8 -0.054 7.090 3.256 1.00 0.00 C > ATOM 75 C ALA A 8 0.008 6.553 4.680 1.00 0.00 C > ATOM 76 O ALA A 8 0.257 7.301 5.626 1.00 0.00 O > ATOM 77 CB ALA A 8 -1.426 6.829 2.652 1.00 0.00 C > ATOM 78 H ALA A 8 0.745 5.759 1.783 1.00 0.00 H > ATOM 79 HA ALA A 8 0.114 8.166 3.297 1.00 0.00 H > ATOM 80 1HB ALA A 8 -2.193 7.275 3.284 1.00 0.00 H > ATOM 81 2HB ALA A 8 -1.474 7.270 1.656 1.00 0.00 H > ATOM 82 3HB ALA A 8 -1.593 5.755 2.581 1.00 0.00 H > ATOM 83 N ALA A 9 -0.220 5.252 4.827 1.00 0.00 N > ATOM 84 CA ALA A 9 -0.294 4.631 6.144 1.00 0.00 C > ATOM 85 C ALA A 9 1.091 4.484 6.762 1.00 0.00 C > ATOM 86 O ALA A 9 1.385 5.082 7.797 1.00 0.00 O > ATOM 87 CB ALA A 9 -0.979 3.275 6.053 1.00 0.00 C > ATOM 88 H ALA A 9 -0.345 4.679 4.005 1.00 0.00 H > ATOM 89 HA ALA A 9 -0.882 5.281 6.792 1.00 0.00 H > ATOM 90 1HB ALA A 9 -1.027 2.824 7.044 1.00 0.00 H > ATOM 91 2HB ALA A 9 -1.989 3.404 5.663 1.00 0.00 H > ATOM 92 3HB ALA A 9 -0.414 2.626 5.386 1.00 0.00 H > ATOM 93 N ALA A 10 1.937 3.685 6.122 1.00 0.00 N > ATOM 94 CA ALA A 10 3.248 3.360 6.671 1.00 0.00 C > ATOM 95 C ALA A 10 4.229 4.507 6.468 1.00 0.00 C > ATOM 96 O ALA A 10 4.705 5.108 7.432 1.00 0.00 O > ATOM 97 CB ALA A 10 3.787 2.085 6.038 1.00 0.00 C > ATOM 98 H ALA A 10 1.665 3.292 5.232 1.00 0.00 H > ATOM 99 HA ALA A 10 3.137 3.201 7.743 1.00 0.00 H > ATOM 100 1HB ALA A 10 4.766 1.856 6.458 1.00 0.00 H > ATOM 101 2HB ALA A 10 3.103 1.261 6.241 1.00 0.00 H > ATOM 102 3HB ALA A 10 3.877 2.224 4.962 1.00 0.00 H > ATOM 103 N ALA A 11 4.529 4.807 5.209 1.00 0.00 N > ATOM 104 CA ALA A 11 5.559 5.785 4.879 1.00 0.00 C > ATOM 105 C ALA A 11 5.057 7.207 5.094 1.00 0.00 C > ATOM 106 O ALA A 11 5.593 7.947 5.919 1.00 0.00 O > ATOM 107 CB ALA A 11 6.024 5.600 3.442 1.00 0.00 C > ATOM 108 H ALA A 11 4.031 4.346 4.461 1.00 0.00 H > ATOM 109 HA ALA A 11 6.405 5.625 5.547 1.00 0.00 H > ATOM 110 1HB ALA A 11 6.793 6.338 3.210 1.00 0.00 H > ATOM 111 2HB ALA A 11 6.434 4.598 3.318 1.00 0.00 H > ATOM 112 3HB ALA A 11 5.180 5.732 2.767 1.00 0.00 H > ATOM 113 N ALA A 12 4.026 7.585 4.346 1.00 0.00 N > ATOM 114 CA ALA A 12 3.537 8.958 4.352 1.00 0.00 C > ATOM 115 C ALA A 12 2.797 9.274 5.646 1.00 0.00 C > ATOM 116 O ALA A 12 3.204 10.152 6.407 1.00 0.00 O > ATOM 117 CB ALA A 12 2.634 9.204 3.152 1.00 0.00 C > ATOM 118 H ALA A 12 3.568 6.902 3.759 1.00 0.00 H > ATOM 119 HA ALA A 12 4.398 9.624 4.289 1.00 0.00 H > ATOM 120 1HB ALA A 12 2.277 10.234 3.171 1.00 0.00 H > ATOM 121 2HB ALA A 12 3.194 9.031 2.234 1.00 0.00 H > ATOM 122 3HB ALA A 12 1.783 8.526 3.192 1.00 0.00 H > ATOM 123 N ALA A 13 1.707 8.554 5.889 1.00 0.00 N > ATOM 124 CA ALA A 13 0.860 8.812 7.047 1.00 0.00 C > ATOM 125 C ALA A 13 1.376 8.083 8.281 1.00 0.00 C > ATOM 126 O ALA A 13 1.809 8.709 9.249 1.00 0.00 O > ATOM 127 CB ALA A 13 -0.576 8.406 6.755 1.00 0.00 C > ATOM 128 H ALA A 13 1.459 7.807 5.255 1.00 0.00 H > ATOM 129 HA ALA A 13 0.889 9.882 7.256 1.00 0.00 H > ATOM 130 1HB ALA A 13 -1.196 8.605 7.629 1.00 0.00 H > ATOM 131 2HB ALA A 13 -0.951 8.978 5.906 1.00 0.00 H > ATOM 132 3HB ALA A 13 -0.613 7.343 6.519 1.00 0.00 H > ATOM 133 N ALA A 14 1.329 6.755 8.240 1.00 0.00 N > ATOM 134 CA ALA A 14 1.654 5.941 9.405 1.00 0.00 C > ATOM 135 C ALA A 14 3.150 5.964 9.692 1.00 0.00 C > ATOM 136 O ALA A 14 3.581 6.413 10.755 1.00 0.00 O > ATOM 137 CB ALA A 14 1.177 4.510 9.201 1.00 0.00 C > ATOM 138 H ALA A 14 1.060 6.299 7.380 1.00 0.00 H > ATOM 139 HA ALA A 14 1.142 6.365 10.268 1.00 0.00 H > ATOM 140 1HB ALA A 14 1.427 3.915 10.079 1.00 0.00 H > ATOM 141 2HB ALA A 14 0.097 4.505 9.055 1.00 0.00 H > ATOM 142 3HB ALA A 14 1.664 4.086 8.324 1.00 0.00 H > ATOM 143 N ALA A 15 3.938 5.478 8.739 1.00 0.00 N > ATOM 144 CA ALA A 15 5.382 5.376 8.917 1.00 0.00 C > ATOM 145 C ALA A 15 6.025 6.754 9.002 1.00 0.00 C > ATOM 146 O ALA A 15 6.707 7.073 9.976 1.00 0.00 O > ATOM 147 CB ALA A 15 6.000 4.573 7.782 1.00 0.00 C > ATOM 148 H ALA A 15 3.527 5.172 7.869 1.00 0.00 H > ATOM 149 HA ALA A 15 5.571 4.861 9.859 1.00 0.00 H > ATOM 150 1HB ALA A 15 7.078 4.505 7.929 1.00 0.00 H > ATOM 151 2HB ALA A 15 5.571 3.570 7.771 1.00 0.00 H > ATOM 152 3HB ALA A 15 5.793 5.065 6.833 1.00 0.00 H > ATOM 153 N ALA A 16 5.804 7.569 7.975 1.00 0.00 N > ATOM 154 CA ALA A 16 6.346 8.922 7.941 1.00 0.00 C > ATOM 155 C ALA A 16 5.273 9.954 8.262 1.00 0.00 C > ATOM 156 O ALA A 16 5.346 10.644 9.278 1.00 0.00 O > ATOM 157 CB ALA A 16 6.967 9.209 6.582 1.00 0.00 C > ATOM 158 H ALA A 16 5.246 7.242 7.199 1.00 0.00 H > ATOM 159 HA ALA A 16 7.120 8.996 8.705 1.00 0.00 H > ATOM 160 1HB ALA A 16 7.367 10.223 6.571 1.00 0.00 H > ATOM 161 2HB ALA A 16 7.772 8.500 6.392 1.00 0.00 H > ATOM 162 3HB ALA A 16 6.208 9.112 5.807 1.00 0.00 H > ATOM 163 N ALA A 17 4.276 10.054 7.389 1.00 0.00 N > ATOM 164 CA ALA A 17 3.229 11.058 7.533 1.00 0.00 C > ATOM 165 C ALA A 17 2.409 10.822 8.796 1.00 0.00 C > ATOM 166 O ALA A 17 2.165 11.746 9.571 1.00 0.00 O > ATOM 167 CB ALA A 17 2.325 11.061 6.309 1.00 0.00 C > ATOM 168 H ALA A 17 4.243 9.418 6.605 1.00 0.00 H > ATOM 169 HA ALA A 17 3.706 12.034 7.623 1.00 0.00 H > ATOM 170 1HB ALA A 17 1.548 11.816 6.432 1.00 0.00 H > ATOM 171 2HB ALA A 17 2.916 11.289 5.422 1.00 0.00 H > ATOM 172 3HB ALA A 17 1.864 10.082 6.195 1.00 0.00 H > ATOM 173 N ALA A 18 1.987 9.578 8.997 1.00 0.00 N > ATOM 174 CA ALA A 18 1.168 9.224 10.149 1.00 0.00 C > ATOM 175 C ALA A 18 2.005 9.150 11.419 1.00 0.00 C > ATOM 176 O ALA A 18 1.783 9.905 12.366 1.00 0.00 O > ATOM 177 CB ALA A 18 0.456 7.901 9.907 1.00 0.00 C > ATOM 178 H ALA A 18 2.241 8.859 8.334 1.00 0.00 H > ATOM 179 HA ALA A 18 0.421 10.006 10.287 1.00 0.00 H > ATOM 180 1HB ALA A 18 -0.152 7.650 10.776 1.00 0.00 H > ATOM 181 2HB ALA A 18 -0.184 7.987 9.029 1.00 0.00 H > ATOM 182 3HB ALA A 18 1.193 7.117 9.742 1.00 0.00 H > ATOM 183 N ALA A 19 2.970 8.236 11.433 1.00 0.00 N > ATOM 184 CA ALA A 19 3.847 8.065 12.586 1.00 0.00 C > ATOM 185 C ALA A 19 5.214 8.688 12.335 1.00 0.00 C > ATOM 186 O ALA A 19 5.612 9.631 13.018 1.00 0.00 O > ATOM 187 CB ALA A 19 3.992 6.589 12.927 1.00 0.00 C > ATOM 188 H ALA A 19 3.099 7.645 10.625 1.00 0.00 H > ATOM 189 HA ALA A 19 3.396 8.581 13.434 1.00 0.00 H > ATOM 190 1HB ALA A 19 4.649 6.478 13.789 1.00 0.00 H > ATOM 191 2HB ALA A 19 3.013 6.172 13.161 1.00 0.00 H > ATOM 192 3HB ALA A 19 4.418 6.060 12.076 1.00 0.00 H > ATOM 193 N ALA A 20 5.930 8.155 11.350 1.00 0.00 N > ATOM 194 CA ALA A 20 7.285 8.606 11.057 1.00 0.00 C > ATOM 195 C ALA A 20 7.301 10.075 10.655 1.00 0.00 C > ATOM 196 O ALA A 20 8.185 10.830 11.060 1.00 0.00 O > ATOM 197 CB ALA A 20 7.902 7.751 9.960 1.00 0.00 C > ATOM 198 H ALA A 20 5.524 7.418 10.791 1.00 0.00 H > ATOM 199 HA ALA A 20 7.880 8.501 11.963 1.00 0.00 H > ATOM 200 1HB ALA A 20 8.913 8.100 9.752 1.00 0.00 H > ATOM 201 2HB ALA A 20 7.937 6.711 10.285 1.00 0.00 H > ATOM 202 3HB ALA A 20 7.299 7.828 9.056 1.00 0.00 H > ATOM 203 N ALA A 21 6.318 10.476 9.856 1.00 0.00 N > ATOM 204 CA ALA A 21 6.211 11.859 9.406 1.00 0.00 C > ATOM 205 C ALA A 21 5.451 12.709 10.417 1.00 0.00 C > ATOM 206 O ALA A 21 6.026 13.587 11.060 1.00 0.00 O > ATOM 207 CB ALA A 21 5.533 11.923 8.046 1.00 0.00 C > ATOM 208 H ALA A 21 5.626 9.805 9.552 1.00 0.00 H > ATOM 209 HA ALA A 21 7.218 12.265 9.318 1.00 0.00 H > ATOM 210 1HB ALA A 21 5.460 12.962 7.724 1.00 0.00 H > ATOM 211 2HB ALA A 21 6.119 11.358 7.320 1.00 0.00 H > ATOM 212 3HB ALA A 21 4.534 11.495 8.116 1.00 0.00 H > ATOM 213 N ALA A 22 4.157 12.443 10.552 1.00 0.00 N > ATOM 214 CA ALA A 22 3.331 13.135 11.534 1.00 0.00 C > ATOM 215 C ALA A 22 3.067 12.255 12.750 1.00 0.00 C > ATOM 216 O ALA A 22 3.489 12.574 13.862 1.00 0.00 O > ATOM 217 CB ALA A 22 2.017 13.575 10.906 1.00 0.00 C > ATOM 218 H ALA A 22 3.734 11.743 9.959 1.00 0.00 H > ATOM 219 HA ALA A 22 3.874 14.018 11.872 1.00 0.00 H > ATOM 220 1HB ALA A 22 1.411 14.090 11.652 1.00 0.00 H > ATOM 221 2HB ALA A 22 2.220 14.250 10.074 1.00 0.00 H > ATOM 222 3HB ALA A 22 1.478 12.703 10.541 1.00 0.00 H > ATOM 223 N ALA A 23 2.368 11.147 12.531 1.00 0.00 N > ATOM 224 CA ALA A 23 2.105 10.185 13.595 1.00 0.00 C > ATOM 225 C ALA A 23 3.292 9.254 13.802 1.00 0.00 C > ATOM 226 O ALA A 23 3.413 8.608 14.843 1.00 0.00 O > ATOM 227 CB ALA A 23 0.850 9.382 13.285 1.00 0.00 C > ATOM 228 H ALA A 23 2.010 10.966 11.605 1.00 0.00 H > ATOM 229 HA ALA A 23 1.949 10.739 14.521 1.00 0.00 H > ATOM 230 1HB ALA A 23 0.667 8.668 14.088 1.00 0.00 H > ATOM 231 2HB ALA A 23 -0.001 10.057 13.197 1.00 0.00 H > ATOM 232 3HB ALA A 23 0.985 8.845 12.347 1.00 0.00 H > ATOM 233 N ALA A 24 4.167 9.188 12.804 1.00 0.00 N > ATOM 234 CA ALA A 24 5.349 8.337 12.876 1.00 0.00 C > ATOM 235 C ALA A 24 6.350 8.692 11.784 1.00 0.00 C > ATOM 236 O ALA A 24 5.972 9.147 10.705 1.00 0.00 O > ATOM 237 OXT ALA A 24 7.524 8.529 11.971 1.00 0.00 O > ATOM 238 CB ALA A 24 4.953 6.871 12.774 1.00 0.00 C > ATOM 239 H ALA A 24 4.010 9.742 11.974 1.00 0.00 H > ATOM 240 HA ALA A 24 5.830 8.507 13.839 1.00 0.00 H > ATOM 241 1HB ALA A 24 5.846 6.249 12.829 1.00 0.00 H > ATOM 242 2HB ALA A 24 4.282 6.618 13.595 1.00 0.00 H > ATOM 243 3HB ALA A 24 4.447 6.697 11.826 1.00 0.00 H 526,550c526,550 < pose -140.331 14106.9 80.0893 0.0205 19.5633 0 0 -9.74849 0 0 0 8.34168 4.15587 0 -0.13282 0 18.5698 14087.5 < ALA:NtermProteinFull_1 -3.21074 61.1598 2.64957 0.00105 1.23586 0 0 0 0 0 0 0 0.0065 0 0 0 0.77374 62.6158 < ALA_2 -3.40164 107.596 1.91492 0.00088 0.73901 0 0 0 0 0 0 0.50751 0.05734 0 -0.41869 0 0.77374 107.769 < ALA_3 -3.59702 253.071 1.85497 0.00089 0.4886 0 0 0 0 0 0 0.00472 0.21995 0 -0.0676 0 0.77374 252.749 < ALA_4 -4.14653 182.617 2.45458 0.00082 0.58497 0 0 0 0 0 0 0.41143 0.27431 0 0.06049 0 0.77374 183.031 < ALA_5 -4.88558 213.362 2.85753 0.00083 0.75265 0 0 0 0 0 0 0.43497 0.14842 0 0.069 0 0.77374 213.513 < ALA_6 -5.33282 289.564 2.74106 0.00084 0.71409 0 0 0 0 0 0 0.35599 0.30009 0 0.00038 0 0.77374 289.117 < ALA_7 -5.87195 292.978 2.89127 0.00084 0.74142 0 0 0 0 0 0 0.41581 0.30919 0 0.00579 0 0.77374 292.244 < ALA_8 -6.17863 435.323 3.11742 0.00083 0.64381 0 0 0 0 0 0 0.44026 0.16122 0 0.06974 0 0.77374 434.351 < ALA_9 -6.09307 435.613 3.12053 0.00085 0.66731 0 0 0 0 0 0 0.41857 0.17072 0 -0.00911 0 0.77374 434.663 < ALA_10 -6.29163 433.331 3.21416 0.00085 0.62063 0 0 0 0 0 0 0.39975 0.28471 0 -0.0284 0 0.77374 432.305 < ALA_11 -6.29595 414.742 3.23937 0.00084 0.654 0 0 0 0 0 0 0.42513 0.18831 0 0.01494 0 0.77374 413.742 < ALA_12 -6.15745 390.238 3.13587 0.00084 0.7529 0 0 0 0 0 0 0.43193 0.13121 0 0.03193 0 0.77374 389.339 < ALA_13 -6.36576 452.662 3.23726 0.00085 0.81189 0 0 0 0 0 0 0.417 0.23617 0 -0.0015 0 0.77374 451.771 < ALA_14 -7.26327 632.259 3.7553 0.00085 0.66729 0 0 0 0 0 0 0.39624 0.20962 0 -0.03943 0 0.77374 630.759 < ALA_15 -7.89719 708.973 4.55591 0.00084 1.95549 0 0 0 0 0 0 0.41965 0.14192 0 0.01198 0 0.77374 708.935 < ALA_16 -7.35568 526.497 4.08821 0.00084 1.02902 0 0 0 0 0 0 0.40137 0.1723 0 -0.01766 0 0.77374 525.59 < ALA_17 -6.322 241.02 3.2984 0.00084 0.1634 0 0 0 0 0 0 0.33553 0.39888 0 -0.02366 0 0.77374 239.645 < ALA_18 -6.63378 572.82 3.2712 0.00087 0.96132 0 0 0 0 0 0 0.28339 0.18683 0 -0.03187 0 0.77374 571.631 < ALA_19 -7.49673 1657.2 4.72699 0.00072 0.37083 0 0 0 0 0 0 0.56493 0.24397 0 0.11803 0 0.77374 1656.5 < ALA_20 -6.3528 1637.37 4.02496 0.00087 0.95067 0 0 0 0 0 0 0.24122 0.05002 0 -0.01117 0 0.77374 1637.05 < ALA_21 -4.69018 434.174 2.76037 0.00086 0.9656 0 0 0 0 0 0 0.30778 0.06214 0 -0.04225 0 0.77374 434.312 < ALA_22 -3.52294 30.3505 2.00835 0.00071 -0.11381 0 0 0 0 0 0 0.62828 0.16633 0 -0.11658 0 0.77374 30.1746 < ALA_23 -4.44621 540.673 2.54202 0.00089 0.3309 0 0 0 0 0 0 0.10021 0.0357 0 0.29282 0 0.77374 540.303 < ALA:CtermProteinFull_24 -10.5213 3163.35 8.62914 0.001 2.8754 0 0 0 0 0 0 0 0 0 0 0 0.77374 3165.1 --- > pose -146.164 15538.8 83.8586 0.0206 12.6856 0 0 -8.63145 0 0 0 7.45826 2.79631 0 -0.83163 0 18.5698 15508.5 > ALA:NtermProteinFull_1 -3.45551 69.777 2.78684 0.00104 1.36838 0 0 0 0 0 0 0 0.01756 0 0 0 0.77374 71.269 > ALA_2 -3.62705 196.61 2.02514 0.00088 0.87703 0 0 0 0 0 0 0.5168 0.0167 0 -0.44612 0 0.77374 196.747 > ALA_3 -3.60112 297.546 1.79306 0.00091 0.45777 0 0 0 0 0 0 -0.16031 0.2419 0 -0.16403 0 0.77374 296.888 > ALA_4 -4.43223 142.395 2.64748 0.00079 0.65313 0 0 0 0 0 0 0.64903 0.13157 0 0.25798 0 0.77374 143.076 > ALA_5 -4.8779 196.701 2.84158 0.00084 0.80214 0 0 0 0 0 0 0.37833 0.09559 0 -0.02423 0 0.77374 196.691 > ALA_6 -5.52142 316.769 2.80868 0.00084 0.83906 0 0 0 0 0 0 0.33216 0.34295 0 -0.02747 0 0.77374 316.317 > ALA_7 -6.27325 451.795 3.06239 0.00083 0.92895 0 0 0 0 0 0 0.41626 0.28576 0 0.02407 0 0.77374 451.013 > ALA_8 -6.32695 422.642 3.22918 0.00083 0.42427 0 0 0 0 0 0 0.41061 0.14902 0 0.02842 0 0.77374 421.331 > ALA_9 -6.05885 386.611 3.08697 0.00085 0.72663 0 0 0 0 0 0 0.39714 0.20505 0 -0.02912 0 0.77374 385.714 > ALA_10 -6.35733 526.036 3.21643 0.00083 0.63621 0 0 0 0 0 0 0.42049 0.27359 0 0.03484 0 0.77374 525.035 > ALA_11 -6.3061 339.663 3.2493 0.00084 0.31175 0 0 0 0 0 0 0.36806 0.26027 0 -0.02816 0 0.77374 338.293 > ALA_12 -6.35934 688.792 3.25938 0.00086 0.82354 0 0 0 0 0 0 0.34878 0.09851 0 -0.05685 0 0.77374 687.681 > ALA_13 -7.43855 784.723 4.03703 0.00079 0.05021 0 0 0 0 0 0 0.54995 0.2836 0 0.20066 0 0.77374 783.18 > ALA_14 -7.31142 480.008 3.87362 0.00086 0.33662 0 0 0 0 0 0 0.34352 0.07018 0 -0.05373 0 0.77374 478.041 > ALA_15 -6.97118 608.28 3.85639 0.00089 1.30011 0 0 0 0 0 0 0.17808 0.00519 0 -0.00165 0 0.77374 607.421 > ALA_16 -8.51477 609.884 4.94932 0.0007 0.46691 0 0 0 0 0 0 0.64373 0.09399 0 -0.08806 0 0.77374 608.21 > ALA_17 -7.14681 637.919 3.70879 0.00091 0.0941 0 0 0 0 0 0 -0.07102 0.01358 0 -0.14021 0 0.77374 635.152 > ALA_18 -7.75435 1176.55 3.93641 0.00084 0.34131 0 0 0 0 0 0 0.36252 0.00032 0 -0.03594 0 0.77374 1174.17 > ALA_19 -8.09386 1861.47 5.15308 0.0007 -0.39841 0 0 0 0 0 0 0.62789 0.07956 0 -0.09778 0 0.77374 1859.51 > ALA_20 -6.15442 1319.1 3.90994 0.00093 0.02486 0 0 0 0 0 0 -0.2196 0.00173 0 -0.23366 0 0.77374 1317.2 > ALA_21 -5.47729 640.503 3.11773 0.00078 0.66073 0 0 0 0 0 0 0.61358 0.06754 0 0.2217 0 0.77374 640.482 > ALA_22 -3.95852 34.2648 2.29194 0.0007 -0.01443 0 0 0 0 0 0 0.63398 0.06208 0 -0.11519 0 0.77374 33.9391 > ALA_23 -4.43764 589.713 2.42796 0.00103 0.33043 0 0 0 0 0 0 -0.28172 9e-05 0 -0.05709 0 0.77374 588.47 > ALA:CtermProteinFull_24 -9.70862 2761.01 8.58995 0.00112 0.64426 0 0 0 0 0 0 0 0 0 0 0 0.77374 2761.31 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0018.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0018.pdb 76c76 < ATOM 67 CB ALA A 7 15.239 10.007 -0.492 1.00 0.00 C --- > ATOM 67 CB ALA A 7 15.239 10.006 -0.492 1.00 0.00 C 98c98 < ATOM 89 HA ALA A 9 18.173 15.621 -0.000 1.00 0.00 H --- > ATOM 89 HA ALA A 9 18.173 15.621 -0.001 1.00 0.00 H 119c119 < ATOM 110 1HB ALA A 11 24.216 18.523 0.089 1.00 0.00 H --- > ATOM 110 1HB ALA A 11 24.216 18.522 0.089 1.00 0.00 H 121c121 < ATOM 112 3HB ALA A 11 24.008 17.190 -1.070 1.00 0.00 H --- > ATOM 112 3HB ALA A 11 24.009 17.190 -1.071 1.00 0.00 H 127c127 < ATOM 118 H ALA A 12 24.807 17.945 -2.555 1.00 0.00 H --- > ATOM 118 H ALA A 12 24.807 17.944 -2.555 1.00 0.00 H 130c130 < ATOM 121 2HB ALA A 12 24.272 19.499 -5.424 1.00 0.00 H --- > ATOM 121 2HB ALA A 12 24.272 19.499 -5.425 1.00 0.00 H 147,148c147,148 < ATOM 138 H ALA A 14 29.226 21.547 -2.505 1.00 0.00 H < ATOM 139 HA ALA A 14 30.973 21.886 -3.966 1.00 0.00 H --- > ATOM 138 H ALA A 14 29.226 21.546 -2.505 1.00 0.00 H > ATOM 139 HA ALA A 14 30.973 21.885 -3.966 1.00 0.00 H 152c152 < ATOM 143 N ALA A 15 30.629 25.121 -3.490 1.00 0.00 N --- > ATOM 143 N ALA A 15 30.630 25.121 -3.490 1.00 0.00 N 163c163 < ATOM 154 CA ALA A 16 34.907 26.125 -3.932 1.00 0.00 C --- > ATOM 154 CA ALA A 16 34.907 26.124 -3.932 1.00 0.00 C 171c171 < ATOM 162 3HB ALA A 16 34.056 26.883 -5.750 1.00 0.00 H --- > ATOM 162 3HB ALA A 16 34.056 26.883 -5.751 1.00 0.00 H 174c174 < ATOM 165 C ALA A 17 37.043 30.077 -4.248 1.00 0.00 C --- > ATOM 165 C ALA A 17 37.043 30.076 -4.248 1.00 0.00 C 180,181c180,181 < ATOM 171 2HB ALA A 17 34.530 29.931 -1.898 1.00 0.00 H < ATOM 172 3HB ALA A 17 36.179 29.282 -1.753 1.00 0.00 H --- > ATOM 171 2HB ALA A 17 34.530 29.931 -1.899 1.00 0.00 H > ATOM 172 3HB ALA A 17 36.179 29.281 -1.753 1.00 0.00 H 183c183 < ATOM 174 CA ALA A 18 39.412 29.611 -3.930 1.00 0.00 C --- > ATOM 174 CA ALA A 18 39.412 29.611 -3.931 1.00 0.00 C 187c187 < ATOM 178 H ALA A 18 37.781 29.081 -2.649 1.00 0.00 H --- > ATOM 178 H ALA A 18 37.782 29.081 -2.649 1.00 0.00 H 196c196 < ATOM 187 CB ALA A 19 39.705 33.859 -3.244 1.00 0.00 C --- > ATOM 187 CB ALA A 19 39.706 33.859 -3.244 1.00 0.00 C 199,200c199,200 < ATOM 190 1HB ALA A 19 40.013 34.903 -3.187 1.00 0.00 H < ATOM 191 2HB ALA A 19 38.626 33.791 -3.107 1.00 0.00 H --- > ATOM 190 1HB ALA A 19 40.013 34.903 -3.188 1.00 0.00 H > ATOM 191 2HB ALA A 19 38.626 33.791 -3.108 1.00 0.00 H 208c208 < ATOM 199 HA ALA A 20 44.252 32.759 -3.049 1.00 0.00 H --- > ATOM 199 HA ALA A 20 44.252 32.758 -3.049 1.00 0.00 H 215c215 < ATOM 206 O ALA A 21 46.793 36.872 -6.437 1.00 0.00 O --- > ATOM 206 O ALA A 21 46.793 36.872 -6.438 1.00 0.00 O 231c231 < ATOM 222 3HB ALA A 22 48.599 36.012 -5.913 1.00 0.00 H --- > ATOM 222 3HB ALA A 22 48.599 36.012 -5.914 1.00 0.00 H 236c236 < ATOM 227 CB ALA A 23 48.391 40.948 -5.534 1.00 0.00 C --- > ATOM 227 CB ALA A 23 48.391 40.948 -5.535 1.00 0.00 C 239c239 < ATOM 230 1HB ALA A 23 48.708 41.923 -5.906 1.00 0.00 H --- > ATOM 230 1HB ALA A 23 48.708 41.922 -5.906 1.00 0.00 H 244c244 < ATOM 235 C ALA A 24 52.888 42.092 -4.964 1.00 0.00 C --- > ATOM 235 C ALA A 24 52.888 42.091 -4.964 1.00 0.00 C 250c250 < ATOM 241 1HB ALA A 24 54.322 39.926 -4.211 1.00 0.00 H --- > ATOM 241 1HB ALA A 24 54.323 39.926 -4.211 1.00 0.00 H 526c526 < pose -29.4041 38.7958 18.8956 0.015 -5.70869 0 -15.482 0 0 0 0 27.5079 2.29091 0 -6.82213 0 18.5698 48.658 --- > pose -29.4041 38.7958 18.8956 0.015 -5.70869 0 -15.482 0 0 0 0 27.5079 2.29091 0 -6.82212 0 18.5698 48.658 528,529c528,529 < ALA_2 -0.88564 1.49317 0.66057 0.00059 0.06638 0 0 0 0 0 0 1.25007 0.09853 0 -0.33359 0 0.77374 3.12381 < ALA_3 -1.30331 1.71266 0.80229 0.00059 -0.31506 0 0 0 0 0 0 1.25103 0.09907 0 -0.30776 0 0.77374 2.71325 --- > ALA_2 -0.88564 1.49317 0.66057 0.00059 0.06638 0 0 0 0 0 0 1.25007 0.09853 0 -0.33359 0 0.77374 3.12382 > ALA_3 -1.30332 1.71266 0.80229 0.00059 -0.31506 0 0 0 0 0 0 1.25103 0.09907 0 -0.30776 0 0.77374 2.71325 547,550c547,550 < ALA_21 -1.30078 1.71361 0.79859 0.00059 -0.32186 0 0 0 0 0 0 1.25084 0.09502 0 -0.30891 0 0.77374 2.70083 < ALA_22 -1.28366 1.70796 0.80724 0.00059 -0.33234 0 0 0 0 0 0 1.25104 0.11142 0 -0.30432 0 0.77374 2.73167 < ALA_23 -1.06906 1.51529 0.89988 0.00059 0.285 0 0 0 0 0 0 1.23862 0.0224 0 -0.32119 0 0.77374 3.34527 < ALA:CtermProteinFull_24 -0.8154 0.78631 0.79677 0.00095 0.29376 0 0 0 0 0 0 0 0 0 0 0 0.77374 1.83612 --- > ALA_21 -1.30078 1.7136 0.79859 0.00059 -0.32186 0 0 0 0 0 0 1.25084 0.09502 0 -0.30891 0 0.77374 2.70083 > ALA_22 -1.28366 1.70796 0.80724 0.00059 -0.33234 0 0 0 0 0 0 1.25104 0.11141 0 -0.30432 0 0.77374 2.73167 > ALA_23 -1.06906 1.51529 0.89988 0.00059 0.285 0 0 0 0 0 0 1.23863 0.0224 0 -0.32118 0 0.77374 3.34527 > ALA:CtermProteinFull_24 -0.81541 0.78631 0.79677 0.00095 0.29376 0 0 0 0 0 0 0 0 0 0 0 0.77374 1.83612 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0019.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0019.pdb 13c13 < ATOM 4 O ALA A 1 2.566 1.880 0.997 1.00 0.00 O --- > ATOM 4 O ALA A 1 2.567 1.880 0.996 1.00 0.00 O 22,252c22,252 < ATOM 13 N ALA A 2 1.850 2.111 -1.124 1.00 0.00 N < ATOM 14 CA ALA A 2 2.229 3.516 -1.220 1.00 0.00 C < ATOM 15 C ALA A 2 3.742 3.675 -1.281 1.00 0.00 C < ATOM 16 O ALA A 2 4.315 3.850 -2.357 1.00 0.00 O < ATOM 17 CB ALA A 2 1.662 4.299 -0.044 1.00 0.00 C < ATOM 18 H ALA A 2 1.456 1.651 -1.932 1.00 0.00 H < ATOM 19 HA ALA A 2 1.813 3.916 -2.144 1.00 0.00 H < ATOM 20 1HB ALA A 2 1.953 5.346 -0.130 1.00 0.00 H < ATOM 21 2HB ALA A 2 0.574 4.224 -0.048 1.00 0.00 H < ATOM 22 3HB ALA A 2 2.050 3.890 0.887 1.00 0.00 H < ATOM 23 N ALA A 3 4.386 3.613 -0.120 1.00 0.00 N < ATOM 24 CA ALA A 3 5.842 3.664 -0.048 1.00 0.00 C < ATOM 25 C ALA A 3 6.358 5.071 -0.317 1.00 0.00 C < ATOM 26 O ALA A 3 6.677 5.814 0.612 1.00 0.00 O < ATOM 27 CB ALA A 3 6.456 2.678 -1.032 1.00 0.00 C < ATOM 28 H ALA A 3 3.854 3.529 0.734 1.00 0.00 H < ATOM 29 HA ALA A 3 6.140 3.386 0.963 1.00 0.00 H < ATOM 30 1HB ALA A 3 7.542 2.728 -0.966 1.00 0.00 H < ATOM 31 2HB ALA A 3 6.123 1.669 -0.791 1.00 0.00 H < ATOM 32 3HB ALA A 3 6.142 2.931 -2.043 1.00 0.00 H < ATOM 33 N ALA A 4 6.438 5.433 -1.593 1.00 0.00 N < ATOM 34 CA ALA A 4 6.835 6.780 -1.984 1.00 0.00 C < ATOM 35 C ALA A 4 8.328 6.997 -1.776 1.00 0.00 C < ATOM 36 O ALA A 4 9.115 6.914 -2.720 1.00 0.00 O < ATOM 37 CB ALA A 4 6.037 7.815 -1.204 1.00 0.00 C < ATOM 38 H ALA A 4 6.218 4.757 -2.310 1.00 0.00 H < ATOM 39 HA ALA A 4 6.625 6.901 -3.047 1.00 0.00 H < ATOM 40 1HB ALA A 4 6.345 8.816 -1.507 1.00 0.00 H < ATOM 41 2HB ALA A 4 4.974 7.685 -1.408 1.00 0.00 H < ATOM 42 3HB ALA A 4 6.220 7.687 -0.138 1.00 0.00 H < ATOM 43 N ALA A 5 8.714 7.275 -0.535 1.00 0.00 N < ATOM 44 CA ALA A 5 10.122 7.419 -0.185 1.00 0.00 C < ATOM 45 C ALA A 5 10.688 8.733 -0.709 1.00 0.00 C < ATOM 46 O ALA A 5 10.808 9.708 0.033 1.00 0.00 O < ATOM 47 CB ALA A 5 10.925 6.244 -0.724 1.00 0.00 C < ATOM 48 H ALA A 5 8.014 7.389 0.183 1.00 0.00 H < ATOM 49 HA ALA A 5 10.200 7.432 0.902 1.00 0.00 H < ATOM 50 1HB ALA A 5 11.974 6.367 -0.454 1.00 0.00 H < ATOM 51 2HB ALA A 5 10.546 5.317 -0.295 1.00 0.00 H < ATOM 52 3HB ALA A 5 10.832 6.207 -1.808 1.00 0.00 H < ATOM 53 N ALA A 6 11.036 8.751 -1.991 1.00 0.00 N < ATOM 54 CA ALA A 6 11.510 9.969 -2.638 1.00 0.00 C < ATOM 55 C ALA A 6 12.928 10.311 -2.197 1.00 0.00 C < ATOM 56 O ALA A 6 13.894 10.025 -2.904 1.00 0.00 O < ATOM 57 CB ALA A 6 10.570 11.128 -2.342 1.00 0.00 C < ATOM 58 H ALA A 6 10.970 7.901 -2.531 1.00 0.00 H < ATOM 59 HA ALA A 6 11.528 9.795 -3.714 1.00 0.00 H < ATOM 60 1HB ALA A 6 10.937 12.029 -2.832 1.00 0.00 H < ATOM 61 2HB ALA A 6 9.573 10.892 -2.715 1.00 0.00 H < ATOM 62 3HB ALA A 6 10.524 11.293 -1.266 1.00 0.00 H < ATOM 63 N ALA A 7 13.045 10.924 -1.024 1.00 0.00 N < ATOM 64 CA ALA A 7 14.348 11.230 -0.446 1.00 0.00 C < ATOM 65 C ALA A 7 15.016 12.388 -1.175 1.00 0.00 C < ATOM 66 O ALA A 7 14.980 13.529 -0.713 1.00 0.00 O < ATOM 67 CB ALA A 7 15.243 9.999 -0.477 1.00 0.00 C < ATOM 68 H ALA A 7 12.210 11.185 -0.519 1.00 0.00 H < ATOM 69 HA ALA A 7 14.197 11.530 0.591 1.00 0.00 H < ATOM 70 1HB ALA A 7 16.212 10.244 -0.042 1.00 0.00 H < ATOM 71 2HB ALA A 7 14.779 9.197 0.098 1.00 0.00 H < ATOM 72 3HB ALA A 7 15.379 9.675 -1.507 1.00 0.00 H < ATOM 73 N ALA A 8 15.625 12.090 -2.318 1.00 0.00 N < ATOM 74 CA ALA A 8 16.228 13.119 -3.156 1.00 0.00 C < ATOM 75 C ALA A 8 17.522 13.639 -2.544 1.00 0.00 C < ATOM 76 O ALA A 8 18.615 13.231 -2.937 1.00 0.00 O < ATOM 77 CB ALA A 8 15.250 14.263 -3.377 1.00 0.00 C < ATOM 78 H ALA A 8 15.671 11.125 -2.613 1.00 0.00 H < ATOM 79 HA ALA A 8 16.471 12.671 -4.120 1.00 0.00 H < ATOM 80 1HB ALA A 8 15.715 15.023 -4.005 1.00 0.00 H < ATOM 81 2HB ALA A 8 14.353 13.885 -3.869 1.00 0.00 H < ATOM 82 3HB ALA A 8 14.980 14.701 -2.417 1.00 0.00 H < ATOM 83 N ALA A 9 17.392 14.543 -1.579 1.00 0.00 N < ATOM 84 CA ALA A 9 18.546 15.058 -0.851 1.00 0.00 C < ATOM 85 C ALA A 9 19.356 16.020 -1.712 1.00 0.00 C < ATOM 86 O ALA A 9 19.227 17.238 -1.588 1.00 0.00 O < ATOM 87 CB ALA A 9 19.424 13.912 -0.370 1.00 0.00 C < ATOM 88 H ALA A 9 16.471 14.882 -1.343 1.00 0.00 H < ATOM 89 HA ALA A 9 18.182 15.611 0.014 1.00 0.00 H < ATOM 90 1HB ALA A 9 20.281 14.313 0.171 1.00 0.00 H < ATOM 91 2HB ALA A 9 18.848 13.265 0.291 1.00 0.00 H < ATOM 92 3HB ALA A 9 19.773 13.337 -1.226 1.00 0.00 H < ATOM 93 N ALA A 10 20.190 15.466 -2.585 1.00 0.00 N < ATOM 94 CA ALA A 10 20.959 16.270 -3.527 1.00 0.00 C < ATOM 95 C ALA A 10 22.097 17.001 -2.826 1.00 0.00 C < ATOM 96 O ALA A 10 23.247 16.563 -2.866 1.00 0.00 O < ATOM 97 CB ALA A 10 20.052 17.263 -4.239 1.00 0.00 C < ATOM 98 H ALA A 10 20.295 14.461 -2.596 1.00 0.00 H < ATOM 99 HA ALA A 10 21.398 15.599 -4.266 1.00 0.00 H < ATOM 100 1HB ALA A 10 20.641 17.856 -4.939 1.00 0.00 H < ATOM 101 2HB ALA A 10 19.278 16.723 -4.784 1.00 0.00 H < ATOM 102 3HB ALA A 10 19.588 17.922 -3.507 1.00 0.00 H < ATOM 103 N ALA A 11 21.770 18.118 -2.185 1.00 0.00 N < ATOM 104 CA ALA A 11 22.747 18.866 -1.403 1.00 0.00 C < ATOM 105 C ALA A 11 23.722 19.610 -2.306 1.00 0.00 C < ATOM 106 O ALA A 11 23.574 20.810 -2.541 1.00 0.00 O < ATOM 107 CB ALA A 11 23.501 17.934 -0.465 1.00 0.00 C < ATOM 108 H ALA A 11 20.821 18.457 -2.240 1.00 0.00 H < ATOM 109 HA ALA A 11 22.211 19.606 -0.809 1.00 0.00 H < ATOM 110 1HB ALA A 11 24.227 18.508 0.112 1.00 0.00 H < ATOM 111 2HB ALA A 11 22.797 17.453 0.214 1.00 0.00 H < ATOM 112 3HB ALA A 11 24.020 17.175 -1.048 1.00 0.00 H < ATOM 113 N ALA A 12 24.720 18.892 -2.811 1.00 0.00 N < ATOM 114 CA ALA A 12 25.672 19.462 -3.757 1.00 0.00 C < ATOM 115 C ALA A 12 26.639 20.410 -3.061 1.00 0.00 C < ATOM 116 O ALA A 12 27.770 20.039 -2.748 1.00 0.00 O < ATOM 117 CB ALA A 12 24.937 20.184 -4.877 1.00 0.00 C < ATOM 118 H ALA A 12 24.821 17.927 -2.532 1.00 0.00 H < ATOM 119 HA ALA A 12 26.253 18.646 -4.185 1.00 0.00 H < ATOM 120 1HB ALA A 12 25.662 20.604 -5.575 1.00 0.00 H < ATOM 121 2HB ALA A 12 24.293 19.480 -5.403 1.00 0.00 H < ATOM 122 3HB ALA A 12 24.332 20.986 -4.457 1.00 0.00 H < ATOM 123 N ALA A 13 26.188 21.637 -2.821 1.00 0.00 N < ATOM 124 CA ALA A 13 26.982 22.615 -2.086 1.00 0.00 C < ATOM 125 C ALA A 13 28.126 23.148 -2.937 1.00 0.00 C < ATOM 126 O ALA A 13 28.034 24.234 -3.509 1.00 0.00 O < ATOM 127 CB ALA A 13 27.519 22.002 -0.800 1.00 0.00 C < ATOM 128 H ALA A 13 25.272 21.899 -3.156 1.00 0.00 H < ATOM 129 HA ALA A 13 26.334 23.455 -1.833 1.00 0.00 H < ATOM 130 1HB ALA A 13 28.109 22.745 -0.263 1.00 0.00 H < ATOM 131 2HB ALA A 13 26.687 21.679 -0.176 1.00 0.00 H < ATOM 132 3HB ALA A 13 28.147 21.145 -1.041 1.00 0.00 H < ATOM 133 N ALA A 14 29.206 22.377 -3.018 1.00 0.00 N < ATOM 134 CA ALA A 14 30.337 22.729 -3.868 1.00 0.00 C < ATOM 135 C ALA A 14 31.140 23.877 -3.269 1.00 0.00 C < ATOM 136 O ALA A 14 32.179 23.661 -2.646 1.00 0.00 O < ATOM 137 CB ALA A 14 29.856 23.093 -5.266 1.00 0.00 C < ATOM 138 H ALA A 14 29.243 21.525 -2.477 1.00 0.00 H < ATOM 139 HA ALA A 14 30.993 21.862 -3.936 1.00 0.00 H < ATOM 140 1HB ALA A 14 30.712 23.353 -5.888 1.00 0.00 H < ATOM 141 2HB ALA A 14 29.334 22.242 -5.704 1.00 0.00 H < ATOM 142 3HB ALA A 14 29.178 23.943 -5.207 1.00 0.00 H < ATOM 143 N ALA A 15 30.652 25.098 -3.462 1.00 0.00 N < ATOM 144 CA ALA A 15 31.276 26.274 -2.870 1.00 0.00 C < ATOM 145 C ALA A 15 32.576 26.626 -3.582 1.00 0.00 C < ATOM 146 O ALA A 15 32.608 27.519 -4.429 1.00 0.00 O < ATOM 147 CB ALA A 15 31.530 26.049 -1.386 1.00 0.00 C < ATOM 148 H ALA A 15 29.828 25.213 -4.035 1.00 0.00 H < ATOM 149 HA ALA A 15 30.592 27.115 -2.987 1.00 0.00 H < ATOM 150 1HB ALA A 15 31.996 26.936 -0.958 1.00 0.00 H < ATOM 151 2HB ALA A 15 30.584 25.856 -0.880 1.00 0.00 H < ATOM 152 3HB ALA A 15 32.191 25.194 -1.257 1.00 0.00 H < ATOM 153 N ALA A 16 33.645 25.920 -3.233 1.00 0.00 N < ATOM 154 CA ALA A 16 34.931 26.097 -3.899 1.00 0.00 C < ATOM 155 C ALA A 16 35.593 27.402 -3.477 1.00 0.00 C < ATOM 156 O ALA A 16 36.478 27.413 -2.621 1.00 0.00 O < ATOM 157 CB ALA A 16 34.755 26.056 -5.410 1.00 0.00 C < ATOM 158 H ALA A 16 33.566 25.242 -2.489 1.00 0.00 H < ATOM 159 HA ALA A 16 35.584 25.278 -3.597 1.00 0.00 H < ATOM 160 1HB ALA A 16 35.724 26.190 -5.892 1.00 0.00 H < ATOM 161 2HB ALA A 16 34.335 25.094 -5.701 1.00 0.00 H < ATOM 162 3HB ALA A 16 34.083 26.855 -5.719 1.00 0.00 H < ATOM 163 N ALA A 17 35.161 28.502 -4.084 1.00 0.00 N < ATOM 164 CA ALA A 17 35.650 29.825 -3.713 1.00 0.00 C < ATOM 165 C ALA A 17 37.071 30.047 -4.214 1.00 0.00 C < ATOM 166 O ALA A 17 37.284 30.687 -5.244 1.00 0.00 O < ATOM 167 CB ALA A 17 35.586 30.009 -2.204 1.00 0.00 C < ATOM 168 H ALA A 17 34.475 28.420 -4.822 1.00 0.00 H < ATOM 169 HA ALA A 17 35.009 30.568 -4.187 1.00 0.00 H < ATOM 170 1HB ALA A 17 35.955 31.001 -1.943 1.00 0.00 H < ATOM 171 2HB ALA A 17 34.554 29.905 -1.868 1.00 0.00 H < ATOM 172 3HB ALA A 17 36.203 29.254 -1.720 1.00 0.00 H < ATOM 173 N ALA A 18 38.042 29.514 -3.480 1.00 0.00 N < ATOM 174 CA ALA A 18 39.439 29.579 -3.893 1.00 0.00 C < ATOM 175 C ALA A 18 40.002 30.983 -3.710 1.00 0.00 C < ATOM 176 O ALA A 18 40.687 31.264 -2.727 1.00 0.00 O < ATOM 177 CB ALA A 18 39.584 29.136 -5.341 1.00 0.00 C < ATOM 178 H ALA A 18 37.806 29.052 -2.614 1.00 0.00 H < ATOM 179 HA ALA A 18 40.012 28.904 -3.257 1.00 0.00 H < ATOM 180 1HB ALA A 18 40.633 29.190 -5.635 1.00 0.00 H < ATOM 181 2HB ALA A 18 39.231 28.109 -5.445 1.00 0.00 H < ATOM 182 3HB ALA A 18 38.994 29.788 -5.983 1.00 0.00 H < ATOM 183 N ALA A 19 39.710 31.861 -4.664 1.00 0.00 N < ATOM 184 CA ALA A 19 40.114 33.259 -4.568 1.00 0.00 C < ATOM 185 C ALA A 19 41.609 33.417 -4.810 1.00 0.00 C < ATOM 186 O ALA A 19 42.035 33.776 -5.908 1.00 0.00 O < ATOM 187 CB ALA A 19 39.735 33.828 -3.208 1.00 0.00 C < ATOM 188 H ALA A 19 39.194 31.553 -5.475 1.00 0.00 H < ATOM 189 HA ALA A 19 39.589 33.817 -5.343 1.00 0.00 H < ATOM 190 1HB ALA A 19 40.044 34.872 -3.152 1.00 0.00 H < ATOM 191 2HB ALA A 19 38.656 33.761 -3.074 1.00 0.00 H < ATOM 192 3HB ALA A 19 40.235 33.260 -2.425 1.00 0.00 H < ATOM 193 N ALA A 20 42.403 33.148 -3.779 1.00 0.00 N < ATOM 194 CA ALA A 20 43.855 33.177 -3.902 1.00 0.00 C < ATOM 195 C ALA A 20 44.372 34.607 -3.990 1.00 0.00 C < ATOM 196 O ALA A 20 44.836 35.172 -3.000 1.00 0.00 O < ATOM 197 CB ALA A 20 44.301 32.378 -5.118 1.00 0.00 C < ATOM 198 H ALA A 20 41.989 32.916 -2.887 1.00 0.00 H < ATOM 199 HA ALA A 20 44.280 32.723 -3.007 1.00 0.00 H < ATOM 200 1HB ALA A 20 45.387 32.409 -5.196 1.00 0.00 H < ATOM 201 2HB ALA A 20 43.974 31.343 -5.013 1.00 0.00 H < ATOM 202 3HB ALA A 20 43.860 32.808 -6.017 1.00 0.00 H < ATOM 203 N ALA A 21 44.289 35.189 -5.182 1.00 0.00 N < ATOM 204 CA ALA A 21 44.668 36.582 -5.383 1.00 0.00 C < ATOM 205 C ALA A 21 46.182 36.751 -5.350 1.00 0.00 C < ATOM 206 O ALA A 21 46.830 36.832 -6.394 1.00 0.00 O < ATOM 207 CB ALA A 21 44.015 37.466 -4.331 1.00 0.00 C < ATOM 208 H ALA A 21 43.954 34.652 -5.969 1.00 0.00 H < ATOM 209 HA ALA A 21 44.319 36.889 -6.369 1.00 0.00 H < ATOM 210 1HB ALA A 21 44.308 38.503 -4.494 1.00 0.00 H < ATOM 211 2HB ALA A 21 42.931 37.379 -4.405 1.00 0.00 H < ATOM 212 3HB ALA A 21 44.336 37.150 -3.340 1.00 0.00 H < ATOM 213 N ALA A 22 46.740 36.803 -4.146 1.00 0.00 N < ATOM 214 CA ALA A 22 48.186 36.876 -3.974 1.00 0.00 C < ATOM 215 C ALA A 22 48.715 38.259 -4.334 1.00 0.00 C < ATOM 216 O ALA A 22 48.962 39.087 -3.458 1.00 0.00 O < ATOM 217 CB ALA A 22 48.874 35.811 -4.816 1.00 0.00 C < ATOM 218 H ALA A 22 46.148 36.792 -3.328 1.00 0.00 H < ATOM 219 HA ALA A 22 48.412 36.695 -2.923 1.00 0.00 H < ATOM 220 1HB ALA A 22 49.953 35.879 -4.678 1.00 0.00 H < ATOM 221 2HB ALA A 22 48.530 34.824 -4.507 1.00 0.00 H < ATOM 222 3HB ALA A 22 48.633 35.967 -5.867 1.00 0.00 H < ATOM 223 N ALA A 23 48.885 38.503 -5.629 1.00 0.00 N < ATOM 224 CA ALA A 23 49.299 39.814 -6.114 1.00 0.00 C < ATOM 225 C ALA A 23 50.772 40.069 -5.821 1.00 0.00 C < ATOM 226 O ALA A 23 51.626 39.904 -6.693 1.00 0.00 O < ATOM 227 CB ALA A 23 48.440 40.904 -5.491 1.00 0.00 C < ATOM 228 H ALA A 23 48.724 37.760 -6.295 1.00 0.00 H < ATOM 229 HA ALA A 23 49.165 39.833 -7.195 1.00 0.00 H < ATOM 230 1HB ALA A 23 48.761 41.877 -5.863 1.00 0.00 H < ATOM 231 2HB ALA A 23 47.396 40.741 -5.758 1.00 0.00 H < ATOM 232 3HB ALA A 23 48.546 40.877 -4.408 1.00 0.00 H < ATOM 233 N ALA A 24 51.064 40.474 -4.590 1.00 0.00 N < ATOM 234 CA ALA A 24 52.431 40.792 -4.192 1.00 0.00 C < ATOM 235 C ALA A 24 52.940 42.032 -4.914 1.00 0.00 C < ATOM 236 O ALA A 24 52.534 42.317 -6.041 1.00 0.00 O < ATOM 237 OXT ALA A 24 53.747 42.746 -4.385 1.00 0.00 O < ATOM 238 CB ALA A 24 53.350 39.609 -4.460 1.00 0.00 C < ATOM 239 H ALA A 24 50.321 40.563 -3.912 1.00 0.00 H < ATOM 240 HA ALA A 24 52.431 41.004 -3.123 1.00 0.00 H < ATOM 241 1HB ALA A 24 54.366 39.862 -4.158 1.00 0.00 H < ATOM 242 2HB ALA A 24 53.006 38.745 -3.891 1.00 0.00 H < ATOM 243 3HB ALA A 24 53.336 39.372 -5.523 1.00 0.00 H --- > ATOM 13 N ALA A 2 1.849 2.111 -1.123 1.00 0.00 N > ATOM 14 CA ALA A 2 2.228 3.516 -1.219 1.00 0.00 C > ATOM 15 C ALA A 2 3.741 3.675 -1.281 1.00 0.00 C > ATOM 16 O ALA A 2 4.313 3.851 -2.357 1.00 0.00 O > ATOM 17 CB ALA A 2 1.661 4.299 -0.043 1.00 0.00 C > ATOM 18 H ALA A 2 1.455 1.652 -1.932 1.00 0.00 H > ATOM 19 HA ALA A 2 1.811 3.917 -2.143 1.00 0.00 H > ATOM 20 1HB ALA A 2 1.953 5.346 -0.129 1.00 0.00 H > ATOM 21 2HB ALA A 2 0.574 4.223 -0.046 1.00 0.00 H > ATOM 22 3HB ALA A 2 2.051 3.889 0.887 1.00 0.00 H > ATOM 23 N ALA A 3 4.386 3.613 -0.121 1.00 0.00 N > ATOM 24 CA ALA A 3 5.841 3.664 -0.050 1.00 0.00 C > ATOM 25 C ALA A 3 6.357 5.072 -0.318 1.00 0.00 C > ATOM 26 O ALA A 3 6.676 5.814 0.611 1.00 0.00 O > ATOM 27 CB ALA A 3 6.455 2.679 -1.034 1.00 0.00 C > ATOM 28 H ALA A 3 3.854 3.528 0.733 1.00 0.00 H > ATOM 29 HA ALA A 3 6.141 3.385 0.961 1.00 0.00 H > ATOM 30 1HB ALA A 3 7.542 2.729 -0.969 1.00 0.00 H > ATOM 31 2HB ALA A 3 6.123 1.669 -0.794 1.00 0.00 H > ATOM 32 3HB ALA A 3 6.141 2.933 -2.046 1.00 0.00 H > ATOM 33 N ALA A 4 6.436 5.434 -1.594 1.00 0.00 N > ATOM 34 CA ALA A 4 6.833 6.782 -1.984 1.00 0.00 C > ATOM 35 C ALA A 4 8.326 6.999 -1.777 1.00 0.00 C > ATOM 36 O ALA A 4 9.112 6.917 -2.721 1.00 0.00 O > ATOM 37 CB ALA A 4 6.035 7.816 -1.202 1.00 0.00 C > ATOM 38 H ALA A 4 6.217 4.759 -2.312 1.00 0.00 H > ATOM 39 HA ALA A 4 6.622 6.903 -3.046 1.00 0.00 H > ATOM 40 1HB ALA A 4 6.342 8.817 -1.505 1.00 0.00 H > ATOM 41 2HB ALA A 4 4.972 7.686 -1.406 1.00 0.00 H > ATOM 42 3HB ALA A 4 6.219 7.687 -0.137 1.00 0.00 H > ATOM 43 N ALA A 5 8.713 7.276 -0.536 1.00 0.00 N > ATOM 44 CA ALA A 5 10.121 7.420 -0.186 1.00 0.00 C > ATOM 45 C ALA A 5 10.686 8.734 -0.710 1.00 0.00 C > ATOM 46 O ALA A 5 10.806 9.709 0.033 1.00 0.00 O > ATOM 47 CB ALA A 5 10.924 6.246 -0.726 1.00 0.00 C > ATOM 48 H ALA A 5 8.013 7.390 0.183 1.00 0.00 H > ATOM 49 HA ALA A 5 10.200 7.432 0.901 1.00 0.00 H > ATOM 50 1HB ALA A 5 11.973 6.368 -0.457 1.00 0.00 H > ATOM 51 2HB ALA A 5 10.545 5.318 -0.298 1.00 0.00 H > ATOM 52 3HB ALA A 5 10.830 6.210 -1.811 1.00 0.00 H > ATOM 53 N ALA A 6 11.033 8.754 -1.992 1.00 0.00 N > ATOM 54 CA ALA A 6 11.507 9.972 -2.639 1.00 0.00 C > ATOM 55 C ALA A 6 12.925 10.314 -2.198 1.00 0.00 C > ATOM 56 O ALA A 6 13.891 10.029 -2.906 1.00 0.00 O > ATOM 57 CB ALA A 6 10.567 11.130 -2.341 1.00 0.00 C > ATOM 58 H ALA A 6 10.967 7.904 -2.533 1.00 0.00 H > ATOM 59 HA ALA A 6 11.524 9.799 -3.715 1.00 0.00 H > ATOM 60 1HB ALA A 6 10.934 12.032 -2.830 1.00 0.00 H > ATOM 61 2HB ALA A 6 9.570 10.895 -2.714 1.00 0.00 H > ATOM 62 3HB ALA A 6 10.521 11.295 -1.265 1.00 0.00 H > ATOM 63 N ALA A 7 13.042 10.926 -1.025 1.00 0.00 N > ATOM 64 CA ALA A 7 14.346 11.232 -0.448 1.00 0.00 C > ATOM 65 C ALA A 7 15.013 12.391 -1.176 1.00 0.00 C > ATOM 66 O ALA A 7 14.977 13.531 -0.713 1.00 0.00 O > ATOM 67 CB ALA A 7 15.241 10.002 -0.480 1.00 0.00 C > ATOM 68 H ALA A 7 12.207 11.186 -0.520 1.00 0.00 H > ATOM 69 HA ALA A 7 14.195 11.532 0.590 1.00 0.00 H > ATOM 70 1HB ALA A 7 16.211 10.246 -0.046 1.00 0.00 H > ATOM 71 2HB ALA A 7 14.778 9.199 0.094 1.00 0.00 H > ATOM 72 3HB ALA A 7 15.377 9.678 -1.511 1.00 0.00 H > ATOM 73 N ALA A 8 15.621 12.093 -2.319 1.00 0.00 N > ATOM 74 CA ALA A 8 16.224 13.123 -3.157 1.00 0.00 C > ATOM 75 C ALA A 8 17.518 13.644 -2.546 1.00 0.00 C > ATOM 76 O ALA A 8 18.611 13.236 -2.940 1.00 0.00 O > ATOM 77 CB ALA A 8 15.245 14.267 -3.377 1.00 0.00 C > ATOM 78 H ALA A 8 15.668 11.129 -2.615 1.00 0.00 H > ATOM 79 HA ALA A 8 16.466 12.676 -4.122 1.00 0.00 H > ATOM 80 1HB ALA A 8 15.710 15.028 -4.005 1.00 0.00 H > ATOM 81 2HB ALA A 8 14.348 13.890 -3.868 1.00 0.00 H > ATOM 82 3HB ALA A 8 14.976 14.705 -2.417 1.00 0.00 H > ATOM 83 N ALA A 9 17.389 14.547 -1.580 1.00 0.00 N > ATOM 84 CA ALA A 9 18.543 15.062 -0.853 1.00 0.00 C > ATOM 85 C ALA A 9 19.352 16.024 -1.713 1.00 0.00 C > ATOM 86 O ALA A 9 19.223 17.242 -1.589 1.00 0.00 O > ATOM 87 CB ALA A 9 19.422 13.916 -0.373 1.00 0.00 C > ATOM 88 H ALA A 9 16.467 14.885 -1.343 1.00 0.00 H > ATOM 89 HA ALA A 9 18.179 15.614 0.014 1.00 0.00 H > ATOM 90 1HB ALA A 9 20.279 14.316 0.168 1.00 0.00 H > ATOM 91 2HB ALA A 9 18.846 13.268 0.288 1.00 0.00 H > ATOM 92 3HB ALA A 9 19.770 13.341 -1.230 1.00 0.00 H > ATOM 93 N ALA A 10 20.186 15.471 -2.587 1.00 0.00 N > ATOM 94 CA ALA A 10 20.954 16.276 -3.529 1.00 0.00 C > ATOM 95 C ALA A 10 22.092 17.006 -2.829 1.00 0.00 C > ATOM 96 O ALA A 10 23.242 16.568 -2.870 1.00 0.00 O > ATOM 97 CB ALA A 10 20.046 17.269 -4.240 1.00 0.00 C > ATOM 98 H ALA A 10 20.290 14.466 -2.599 1.00 0.00 H > ATOM 99 HA ALA A 10 21.392 15.606 -4.269 1.00 0.00 H > ATOM 100 1HB ALA A 10 20.635 17.863 -4.940 1.00 0.00 H > ATOM 101 2HB ALA A 10 19.272 16.729 -4.784 1.00 0.00 H > ATOM 102 3HB ALA A 10 19.583 17.927 -3.507 1.00 0.00 H > ATOM 103 N ALA A 11 21.766 18.123 -2.186 1.00 0.00 N > ATOM 104 CA ALA A 11 22.743 18.870 -1.404 1.00 0.00 C > ATOM 105 C ALA A 11 23.717 19.616 -2.308 1.00 0.00 C > ATOM 106 O ALA A 11 23.568 20.815 -2.541 1.00 0.00 O > ATOM 107 CB ALA A 11 23.498 17.938 -0.468 1.00 0.00 C > ATOM 108 H ALA A 11 20.816 18.462 -2.241 1.00 0.00 H > ATOM 109 HA ALA A 11 22.207 19.610 -0.809 1.00 0.00 H > ATOM 110 1HB ALA A 11 24.224 18.511 0.109 1.00 0.00 H > ATOM 111 2HB ALA A 11 22.794 17.456 0.211 1.00 0.00 H > ATOM 112 3HB ALA A 11 24.016 17.179 -1.051 1.00 0.00 H > ATOM 113 N ALA A 12 24.714 18.898 -2.813 1.00 0.00 N > ATOM 114 CA ALA A 12 25.666 19.469 -3.760 1.00 0.00 C > ATOM 115 C ALA A 12 26.634 20.417 -3.064 1.00 0.00 C > ATOM 116 O ALA A 12 27.765 20.045 -2.752 1.00 0.00 O > ATOM 117 CB ALA A 12 24.931 20.192 -4.879 1.00 0.00 C > ATOM 118 H ALA A 12 24.816 17.933 -2.535 1.00 0.00 H > ATOM 119 HA ALA A 12 26.247 18.653 -4.189 1.00 0.00 H > ATOM 120 1HB ALA A 12 25.654 20.612 -5.577 1.00 0.00 H > ATOM 121 2HB ALA A 12 24.286 19.488 -5.405 1.00 0.00 H > ATOM 122 3HB ALA A 12 24.325 20.993 -4.458 1.00 0.00 H > ATOM 123 N ALA A 13 26.183 21.643 -2.823 1.00 0.00 N > ATOM 124 CA ALA A 13 26.976 22.621 -2.087 1.00 0.00 C > ATOM 125 C ALA A 13 28.120 23.155 -2.939 1.00 0.00 C > ATOM 126 O ALA A 13 28.027 24.241 -3.510 1.00 0.00 O > ATOM 127 CB ALA A 13 27.515 22.007 -0.803 1.00 0.00 C > ATOM 128 H ALA A 13 25.266 21.905 -3.157 1.00 0.00 H > ATOM 129 HA ALA A 13 26.329 23.460 -1.833 1.00 0.00 H > ATOM 130 1HB ALA A 13 28.105 22.749 -0.265 1.00 0.00 H > ATOM 131 2HB ALA A 13 26.683 21.683 -0.178 1.00 0.00 H > ATOM 132 3HB ALA A 13 28.142 21.151 -1.044 1.00 0.00 H > ATOM 133 N ALA A 14 29.200 22.384 -3.022 1.00 0.00 N > ATOM 134 CA ALA A 14 30.330 22.737 -3.872 1.00 0.00 C > ATOM 135 C ALA A 14 31.133 23.884 -3.273 1.00 0.00 C > ATOM 136 O ALA A 14 32.173 23.668 -2.650 1.00 0.00 O > ATOM 137 CB ALA A 14 29.849 23.102 -5.269 1.00 0.00 C > ATOM 138 H ALA A 14 29.238 21.532 -2.481 1.00 0.00 H > ATOM 139 HA ALA A 14 30.986 21.870 -3.940 1.00 0.00 H > ATOM 140 1HB ALA A 14 30.704 23.363 -5.892 1.00 0.00 H > ATOM 141 2HB ALA A 14 29.326 22.251 -5.707 1.00 0.00 H > ATOM 142 3HB ALA A 14 29.171 23.952 -5.209 1.00 0.00 H > ATOM 143 N ALA A 15 30.645 25.105 -3.465 1.00 0.00 N > ATOM 144 CA ALA A 15 31.269 26.282 -2.871 1.00 0.00 C > ATOM 145 C ALA A 15 32.568 26.634 -3.584 1.00 0.00 C > ATOM 146 O ALA A 15 32.601 27.528 -4.431 1.00 0.00 O > ATOM 147 CB ALA A 15 31.524 26.055 -1.388 1.00 0.00 C > ATOM 148 H ALA A 15 29.820 25.221 -4.036 1.00 0.00 H > ATOM 149 HA ALA A 15 30.586 27.123 -2.988 1.00 0.00 H > ATOM 150 1HB ALA A 15 31.991 26.942 -0.960 1.00 0.00 H > ATOM 151 2HB ALA A 15 30.579 25.862 -0.882 1.00 0.00 H > ATOM 152 3HB ALA A 15 32.186 25.200 -1.260 1.00 0.00 H > ATOM 153 N ALA A 16 33.639 25.928 -3.237 1.00 0.00 N > ATOM 154 CA ALA A 16 34.923 26.106 -3.903 1.00 0.00 C > ATOM 155 C ALA A 16 35.586 27.411 -3.481 1.00 0.00 C > ATOM 156 O ALA A 16 36.471 27.421 -2.625 1.00 0.00 O > ATOM 157 CB ALA A 16 34.747 26.066 -5.414 1.00 0.00 C > ATOM 158 H ALA A 16 33.560 25.250 -2.493 1.00 0.00 H > ATOM 159 HA ALA A 16 35.577 25.287 -3.602 1.00 0.00 H > ATOM 160 1HB ALA A 16 35.715 26.201 -5.897 1.00 0.00 H > ATOM 161 2HB ALA A 16 34.326 25.104 -5.706 1.00 0.00 H > ATOM 162 3HB ALA A 16 34.074 26.865 -5.722 1.00 0.00 H > ATOM 163 N ALA A 17 35.153 28.511 -4.087 1.00 0.00 N > ATOM 164 CA ALA A 17 35.642 29.834 -3.715 1.00 0.00 C > ATOM 165 C ALA A 17 37.063 30.056 -4.217 1.00 0.00 C > ATOM 166 O ALA A 17 37.275 30.697 -5.246 1.00 0.00 O > ATOM 167 CB ALA A 17 35.579 30.017 -2.206 1.00 0.00 C > ATOM 168 H ALA A 17 34.467 28.430 -4.824 1.00 0.00 H > ATOM 169 HA ALA A 17 35.000 30.577 -4.188 1.00 0.00 H > ATOM 170 1HB ALA A 17 35.948 31.009 -1.944 1.00 0.00 H > ATOM 171 2HB ALA A 17 34.548 29.912 -1.869 1.00 0.00 H > ATOM 172 3HB ALA A 17 36.197 29.262 -1.722 1.00 0.00 H > ATOM 173 N ALA A 18 38.034 29.523 -3.484 1.00 0.00 N > ATOM 174 CA ALA A 18 39.431 29.589 -3.898 1.00 0.00 C > ATOM 175 C ALA A 18 39.994 30.992 -3.714 1.00 0.00 C > ATOM 176 O ALA A 18 40.679 31.273 -2.731 1.00 0.00 O > ATOM 177 CB ALA A 18 39.576 29.146 -5.346 1.00 0.00 C > ATOM 178 H ALA A 18 37.799 29.060 -2.618 1.00 0.00 H > ATOM 179 HA ALA A 18 40.004 28.913 -3.263 1.00 0.00 H > ATOM 180 1HB ALA A 18 40.624 29.201 -5.641 1.00 0.00 H > ATOM 181 2HB ALA A 18 39.223 28.120 -5.450 1.00 0.00 H > ATOM 182 3HB ALA A 18 38.985 29.799 -5.987 1.00 0.00 H > ATOM 183 N ALA A 19 39.701 31.871 -4.667 1.00 0.00 N > ATOM 184 CA ALA A 19 40.105 33.269 -4.570 1.00 0.00 C > ATOM 185 C ALA A 19 41.600 33.428 -4.814 1.00 0.00 C > ATOM 186 O ALA A 19 42.025 33.788 -5.911 1.00 0.00 O > ATOM 187 CB ALA A 19 39.727 33.837 -3.210 1.00 0.00 C > ATOM 188 H ALA A 19 39.185 31.563 -5.478 1.00 0.00 H > ATOM 189 HA ALA A 19 39.579 33.828 -5.344 1.00 0.00 H > ATOM 190 1HB ALA A 19 40.035 34.881 -3.153 1.00 0.00 H > ATOM 191 2HB ALA A 19 38.648 33.769 -3.074 1.00 0.00 H > ATOM 192 3HB ALA A 19 40.227 33.269 -2.427 1.00 0.00 H > ATOM 193 N ALA A 20 42.394 33.158 -3.783 1.00 0.00 N > ATOM 194 CA ALA A 20 43.847 33.187 -3.907 1.00 0.00 C > ATOM 195 C ALA A 20 44.363 34.618 -3.994 1.00 0.00 C > ATOM 196 O ALA A 20 44.827 35.182 -3.004 1.00 0.00 O > ATOM 197 CB ALA A 20 44.291 32.390 -5.124 1.00 0.00 C > ATOM 198 H ALA A 20 41.981 32.926 -2.891 1.00 0.00 H > ATOM 199 HA ALA A 20 44.272 32.733 -3.012 1.00 0.00 H > ATOM 200 1HB ALA A 20 45.378 32.421 -5.203 1.00 0.00 H > ATOM 201 2HB ALA A 20 43.965 31.355 -5.020 1.00 0.00 H > ATOM 202 3HB ALA A 20 43.850 32.820 -6.022 1.00 0.00 H > ATOM 203 N ALA A 21 44.279 35.200 -5.186 1.00 0.00 N > ATOM 204 CA ALA A 21 44.658 36.594 -5.386 1.00 0.00 C > ATOM 205 C ALA A 21 46.172 36.763 -5.354 1.00 0.00 C > ATOM 206 O ALA A 21 46.819 36.845 -6.398 1.00 0.00 O > ATOM 207 CB ALA A 21 44.005 37.477 -4.333 1.00 0.00 C > ATOM 208 H ALA A 21 43.944 34.664 -5.973 1.00 0.00 H > ATOM 209 HA ALA A 21 44.308 36.902 -6.371 1.00 0.00 H > ATOM 210 1HB ALA A 21 44.298 38.514 -4.496 1.00 0.00 H > ATOM 211 2HB ALA A 21 42.921 37.390 -4.406 1.00 0.00 H > ATOM 212 3HB ALA A 21 44.327 37.161 -3.342 1.00 0.00 H > ATOM 213 N ALA A 22 46.731 36.814 -4.150 1.00 0.00 N > ATOM 214 CA ALA A 22 48.177 36.887 -3.979 1.00 0.00 C > ATOM 215 C ALA A 22 48.705 38.270 -4.339 1.00 0.00 C > ATOM 216 O ALA A 22 48.953 39.098 -3.462 1.00 0.00 O > ATOM 217 CB ALA A 22 48.864 35.823 -4.823 1.00 0.00 C > ATOM 218 H ALA A 22 46.139 36.802 -3.332 1.00 0.00 H > ATOM 219 HA ALA A 22 48.404 36.706 -2.929 1.00 0.00 H > ATOM 220 1HB ALA A 22 49.944 35.891 -4.685 1.00 0.00 H > ATOM 221 2HB ALA A 22 48.520 34.836 -4.514 1.00 0.00 H > ATOM 222 3HB ALA A 22 48.623 35.980 -5.873 1.00 0.00 H > ATOM 223 N ALA A 23 48.875 38.515 -5.634 1.00 0.00 N > ATOM 224 CA ALA A 23 49.288 39.827 -6.117 1.00 0.00 C > ATOM 225 C ALA A 23 50.761 40.083 -5.826 1.00 0.00 C > ATOM 226 O ALA A 23 51.614 39.918 -6.698 1.00 0.00 O > ATOM 227 CB ALA A 23 48.428 40.917 -5.494 1.00 0.00 C > ATOM 228 H ALA A 23 48.713 37.774 -6.300 1.00 0.00 H > ATOM 229 HA ALA A 23 49.153 39.847 -7.199 1.00 0.00 H > ATOM 230 1HB ALA A 23 48.749 41.890 -5.865 1.00 0.00 H > ATOM 231 2HB ALA A 23 47.384 40.753 -5.759 1.00 0.00 H > ATOM 232 3HB ALA A 23 48.535 40.889 -4.410 1.00 0.00 H > ATOM 233 N ALA A 24 51.054 40.486 -4.594 1.00 0.00 N > ATOM 234 CA ALA A 24 52.420 40.804 -4.197 1.00 0.00 C > ATOM 235 C ALA A 24 52.929 42.046 -4.918 1.00 0.00 C > ATOM 236 O ALA A 24 52.522 42.332 -6.044 1.00 0.00 O > ATOM 237 OXT ALA A 24 53.736 42.759 -4.389 1.00 0.00 O > ATOM 238 CB ALA A 24 53.339 39.622 -4.467 1.00 0.00 C > ATOM 239 H ALA A 24 50.311 40.575 -3.916 1.00 0.00 H > ATOM 240 HA ALA A 24 52.421 41.015 -3.127 1.00 0.00 H > ATOM 241 1HB ALA A 24 54.355 39.875 -4.165 1.00 0.00 H > ATOM 242 2HB ALA A 24 52.996 38.757 -3.898 1.00 0.00 H > ATOM 243 3HB ALA A 24 53.325 39.386 -5.530 1.00 0.00 H 526,550c526,550 < pose -29.4035 38.7985 18.8954 0.015 -5.71033 0 -15.4825 0 0 0 0 27.5077 2.28978 0 -6.82208 0 18.5698 48.6579 < ALA:NtermProteinFull_1 -0.65311 0.76252 0.55358 0.00105 0.0932 0 0 0 0 0 0 0 0.17283 0 0 0 0.77374 1.70381 < ALA_2 -0.88543 1.49094 0.66068 0.00059 0.06624 0 0 0 0 0 0 1.24977 0.10137 0 -0.33361 0 0.77374 3.1243 < ALA_3 -1.30348 1.71245 0.80227 0.00059 -0.31472 0 0 0 0 0 0 1.25084 0.09777 0 -0.30906 0 0.77374 2.7104 < ALA_4 -1.29932 1.71254 0.79869 0.00059 -0.32239 0 0 0 0 0 0 1.25101 0.10018 0 -0.30781 0 0.77374 2.70723 < ALA_5 -1.29973 1.71178 0.7986 0.00059 -0.32222 0 0 0 0 0 0 1.25095 0.09926 0 -0.30874 0 0.77374 2.70424 < ALA_6 -1.29958 1.71226 0.79864 0.00059 -0.3223 0 0 0 0 0 0 1.25098 0.09925 0 -0.30839 0 0.77374 2.70518 < ALA_7 -1.2996 1.71225 0.79862 0.00059 -0.32231 0 0 0 0 0 0 1.25098 0.09925 0 -0.30838 0 0.77374 2.70513 < ALA_8 -1.2996 1.71225 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25098 0.09925 0 -0.30838 0 0.77374 2.70513 < ALA_9 -1.2996 1.71225 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25098 0.09925 0 -0.30838 0 0.77374 2.70513 < ALA_10 -1.2996 1.71225 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25098 0.09925 0 -0.30838 0 0.77374 2.70513 < ALA_11 -1.2996 1.71225 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25098 0.09925 0 -0.30838 0 0.77374 2.70513 < ALA_12 -1.2996 1.71225 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25098 0.09925 0 -0.30838 0 0.77374 2.70513 < ALA_13 -1.2996 1.71225 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25098 0.09925 0 -0.30838 0 0.77374 2.70513 < ALA_14 -1.2996 1.71225 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25098 0.09925 0 -0.30838 0 0.77374 2.70513 < ALA_15 -1.2996 1.71225 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25098 0.09925 0 -0.30838 0 0.77374 2.70513 < ALA_16 -1.2996 1.71225 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25098 0.09925 0 -0.30838 0 0.77374 2.70513 < ALA_17 -1.29961 1.71225 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25098 0.09925 0 -0.30838 0 0.77374 2.70513 < ALA_18 -1.29961 1.71225 0.79862 0.00059 -0.32231 0 0 0 0 0 0 1.25098 0.09925 0 -0.30838 0 0.77374 2.70513 < ALA_19 -1.29957 1.71224 0.79862 0.00059 -0.32234 0 0 0 0 0 0 1.25098 0.09926 0 -0.30838 0 0.77374 2.70515 < ALA_20 -1.29967 1.71247 0.79861 0.00059 -0.32231 0 0 0 0 0 0 1.25096 0.09882 0 -0.30841 0 0.77374 2.7048 < ALA_21 -1.3002 1.71204 0.79863 0.00059 -0.32175 0 0 0 0 0 0 1.251 0.09987 0 -0.3082 0 0.77374 2.70572 < ALA_22 -1.28418 1.70857 0.80721 0.00059 -0.33203 0 0 0 0 0 0 1.25079 0.10803 0 -0.30874 0 0.77374 2.72398 < ALA_23 -1.06849 1.51708 0.89977 0.00059 0.28458 0 0 0 0 0 0 1.23873 0.02213 0 -0.32014 0 0.77374 3.348 < ALA:CtermProteinFull_24 -0.81546 0.78661 0.79667 0.00095 0.29349 0 0 0 0 0 0 0 0 0 0 0 0.77374 1.836 --- > pose -29.4037 38.7979 18.8956 0.015 -5.71077 0 -15.4831 0 0 0 0 27.5086 2.29037 0 -6.82177 0 18.5698 48.6579 > ALA:NtermProteinFull_1 -0.65312 0.76244 0.55368 0.00105 0.09314 0 0 0 0 0 0 0 0.1733 0 0 0 0.77374 1.70423 > ALA_2 -0.88544 1.49053 0.6607 0.00059 0.06631 0 0 0 0 0 0 1.25061 0.10088 0 -0.33345 0 0.77374 3.12446 > ALA_3 -1.30352 1.71266 0.80235 0.00059 -0.31498 0 0 0 0 0 0 1.25087 0.09778 0 -0.30874 0 0.77374 2.71076 > ALA_4 -1.29936 1.71253 0.7987 0.00059 -0.3224 0 0 0 0 0 0 1.25089 0.10026 0 -0.30783 0 0.77374 2.70712 > ALA_5 -1.29973 1.71171 0.7986 0.00059 -0.32218 0 0 0 0 0 0 1.25097 0.09927 0 -0.30876 0 0.77374 2.70422 > ALA_6 -1.29957 1.71225 0.79864 0.00059 -0.32231 0 0 0 0 0 0 1.25099 0.09926 0 -0.30839 0 0.77374 2.7052 > ALA_7 -1.29961 1.71224 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25099 0.09926 0 -0.30838 0 0.77374 2.70514 > ALA_8 -1.29961 1.71224 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25099 0.09926 0 -0.30838 0 0.77374 2.70514 > ALA_9 -1.29961 1.71224 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25099 0.09926 0 -0.30838 0 0.77374 2.70514 > ALA_10 -1.29961 1.71224 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25099 0.09926 0 -0.30838 0 0.77374 2.70514 > ALA_11 -1.29961 1.71224 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25099 0.09926 0 -0.30838 0 0.77374 2.70514 > ALA_12 -1.29961 1.71224 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25099 0.09926 0 -0.30838 0 0.77374 2.70514 > ALA_13 -1.29961 1.71224 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25099 0.09926 0 -0.30838 0 0.77374 2.70514 > ALA_14 -1.29961 1.71224 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25099 0.09926 0 -0.30838 0 0.77374 2.70514 > ALA_15 -1.29961 1.71224 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25099 0.09926 0 -0.30838 0 0.77374 2.70514 > ALA_16 -1.29961 1.71224 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25099 0.09926 0 -0.30838 0 0.77374 2.70514 > ALA_17 -1.29961 1.71224 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25099 0.09926 0 -0.30838 0 0.77374 2.70514 > ALA_18 -1.29961 1.71223 0.79862 0.00059 -0.32232 0 0 0 0 0 0 1.25099 0.09926 0 -0.30838 0 0.77374 2.70514 > ALA_19 -1.29957 1.71222 0.79862 0.00059 -0.32234 0 0 0 0 0 0 1.25099 0.09929 0 -0.30838 0 0.77374 2.70517 > ALA_20 -1.29968 1.71247 0.79861 0.00059 -0.32231 0 0 0 0 0 0 1.25097 0.0988 0 -0.30841 0 0.77374 2.70478 > ALA_21 -1.30024 1.71203 0.79863 0.00059 -0.32172 0 0 0 0 0 0 1.25102 0.09988 0 -0.30819 0 0.77374 2.70574 > ALA_22 -1.28418 1.70827 0.80721 0.00059 -0.33196 0 0 0 0 0 0 1.25077 0.10858 0 -0.30874 0 0.77374 2.72429 > ALA_23 -1.0685 1.51708 0.89972 0.00059 0.28447 0 0 0 0 0 0 1.23864 0.0219 0 -0.32031 0 0.77374 3.34733 > ALA:CtermProteinFull_24 -0.81543 0.78685 0.79661 0.00095 0.29336 0 0 0 0 0 0 0 0 0 0 0 0.77374 1.83608 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/S_0020.pdb /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/S_0020.pdb 13c13 < ATOM 4 O ALA A 1 2.566 1.880 0.997 1.00 0.00 O --- > ATOM 4 O ALA A 1 2.568 1.879 0.996 1.00 0.00 O 22,252c22,252 < ATOM 13 N ALA A 2 1.850 2.111 -1.124 1.00 0.00 N < ATOM 14 CA ALA A 2 2.228 3.516 -1.220 1.00 0.00 C < ATOM 15 C ALA A 2 3.742 3.675 -1.281 1.00 0.00 C < ATOM 16 O ALA A 2 4.314 3.851 -2.356 1.00 0.00 O < ATOM 17 CB ALA A 2 1.661 4.299 -0.044 1.00 0.00 C < ATOM 18 H ALA A 2 1.456 1.651 -1.932 1.00 0.00 H < ATOM 19 HA ALA A 2 1.813 3.916 -2.144 1.00 0.00 H < ATOM 20 1HB ALA A 2 1.952 5.346 -0.130 1.00 0.00 H < ATOM 21 2HB ALA A 2 0.574 4.223 -0.048 1.00 0.00 H < ATOM 22 3HB ALA A 2 2.050 3.889 0.887 1.00 0.00 H < ATOM 23 N ALA A 3 4.386 3.613 -0.120 1.00 0.00 N < ATOM 24 CA ALA A 3 5.841 3.664 -0.048 1.00 0.00 C < ATOM 25 C ALA A 3 6.358 5.072 -0.316 1.00 0.00 C < ATOM 26 O ALA A 3 6.677 5.814 0.612 1.00 0.00 O < ATOM 27 CB ALA A 3 6.455 2.679 -1.031 1.00 0.00 C < ATOM 28 H ALA A 3 3.853 3.529 0.734 1.00 0.00 H < ATOM 29 HA ALA A 3 6.140 3.386 0.963 1.00 0.00 H < ATOM 30 1HB ALA A 3 7.542 2.728 -0.965 1.00 0.00 H < ATOM 31 2HB ALA A 3 6.123 1.669 -0.790 1.00 0.00 H < ATOM 32 3HB ALA A 3 6.142 2.932 -2.043 1.00 0.00 H < ATOM 33 N ALA A 4 6.437 5.433 -1.592 1.00 0.00 N < ATOM 34 CA ALA A 4 6.834 6.781 -1.983 1.00 0.00 C < ATOM 35 C ALA A 4 8.327 6.998 -1.776 1.00 0.00 C < ATOM 36 O ALA A 4 9.113 6.915 -2.720 1.00 0.00 O < ATOM 37 CB ALA A 4 6.036 7.815 -1.202 1.00 0.00 C < ATOM 38 H ALA A 4 6.218 4.758 -2.310 1.00 0.00 H < ATOM 39 HA ALA A 4 6.623 6.901 -3.046 1.00 0.00 H < ATOM 40 1HB ALA A 4 6.344 8.816 -1.505 1.00 0.00 H < ATOM 41 2HB ALA A 4 4.973 7.685 -1.406 1.00 0.00 H < ATOM 42 3HB ALA A 4 6.219 7.687 -0.137 1.00 0.00 H < ATOM 43 N ALA A 5 8.713 7.276 -0.535 1.00 0.00 N < ATOM 44 CA ALA A 5 10.121 7.421 -0.186 1.00 0.00 C < ATOM 45 C ALA A 5 10.687 8.734 -0.710 1.00 0.00 C < ATOM 46 O ALA A 5 10.806 9.710 0.032 1.00 0.00 O < ATOM 47 CB ALA A 5 10.925 6.246 -0.725 1.00 0.00 C < ATOM 48 H ALA A 5 8.013 7.389 0.184 1.00 0.00 H < ATOM 49 HA ALA A 5 10.201 7.433 0.902 1.00 0.00 H < ATOM 50 1HB ALA A 5 11.974 6.369 -0.456 1.00 0.00 H < ATOM 51 2HB ALA A 5 10.546 5.319 -0.296 1.00 0.00 H < ATOM 52 3HB ALA A 5 10.831 6.209 -1.809 1.00 0.00 H < ATOM 53 N ALA A 6 11.034 8.754 -1.992 1.00 0.00 N < ATOM 54 CA ALA A 6 11.507 9.971 -2.639 1.00 0.00 C < ATOM 55 C ALA A 6 12.924 10.314 -2.199 1.00 0.00 C < ATOM 56 O ALA A 6 13.891 10.029 -2.906 1.00 0.00 O < ATOM 57 CB ALA A 6 10.566 11.130 -2.342 1.00 0.00 C < ATOM 58 H ALA A 6 10.968 7.903 -2.532 1.00 0.00 H < ATOM 59 HA ALA A 6 11.525 9.798 -3.715 1.00 0.00 H < ATOM 60 1HB ALA A 6 10.933 12.031 -2.832 1.00 0.00 H < ATOM 61 2HB ALA A 6 9.569 10.894 -2.715 1.00 0.00 H < ATOM 62 3HB ALA A 6 10.521 11.294 -1.267 1.00 0.00 H < ATOM 63 N ALA A 7 13.042 10.927 -1.026 1.00 0.00 N < ATOM 64 CA ALA A 7 14.345 11.234 -0.449 1.00 0.00 C < ATOM 65 C ALA A 7 15.012 12.393 -1.178 1.00 0.00 C < ATOM 66 O ALA A 7 14.975 13.533 -0.716 1.00 0.00 O < ATOM 67 CB ALA A 7 15.241 10.004 -0.480 1.00 0.00 C < ATOM 68 H ALA A 7 12.207 11.187 -0.521 1.00 0.00 H < ATOM 69 HA ALA A 7 14.194 11.534 0.588 1.00 0.00 H < ATOM 70 1HB ALA A 7 16.210 10.249 -0.046 1.00 0.00 H < ATOM 71 2HB ALA A 7 14.778 9.202 0.095 1.00 0.00 H < ATOM 72 3HB ALA A 7 15.377 9.679 -1.510 1.00 0.00 H < ATOM 73 N ALA A 8 15.621 12.095 -2.321 1.00 0.00 N < ATOM 74 CA ALA A 8 16.223 13.124 -3.159 1.00 0.00 C < ATOM 75 C ALA A 8 17.517 13.645 -2.548 1.00 0.00 C < ATOM 76 O ALA A 8 18.610 13.237 -2.942 1.00 0.00 O < ATOM 77 CB ALA A 8 15.244 14.268 -3.380 1.00 0.00 C < ATOM 78 H ALA A 8 15.667 11.130 -2.616 1.00 0.00 H < ATOM 79 HA ALA A 8 16.466 12.676 -4.123 1.00 0.00 H < ATOM 80 1HB ALA A 8 15.708 15.028 -4.008 1.00 0.00 H < ATOM 81 2HB ALA A 8 14.347 13.889 -3.871 1.00 0.00 H < ATOM 82 3HB ALA A 8 14.974 14.705 -2.420 1.00 0.00 H < ATOM 83 N ALA A 9 17.387 14.549 -1.582 1.00 0.00 N < ATOM 84 CA ALA A 9 18.541 15.065 -0.856 1.00 0.00 C < ATOM 85 C ALA A 9 19.349 16.027 -1.717 1.00 0.00 C < ATOM 86 O ALA A 9 19.220 17.245 -1.593 1.00 0.00 O < ATOM 87 CB ALA A 9 19.420 13.920 -0.375 1.00 0.00 C < ATOM 88 H ALA A 9 16.465 14.887 -1.346 1.00 0.00 H < ATOM 89 HA ALA A 9 18.176 15.618 0.010 1.00 0.00 H < ATOM 90 1HB ALA A 9 20.277 14.321 0.166 1.00 0.00 H < ATOM 91 2HB ALA A 9 18.844 13.272 0.287 1.00 0.00 H < ATOM 92 3HB ALA A 9 19.768 13.345 -1.231 1.00 0.00 H < ATOM 93 N ALA A 10 20.184 15.473 -2.590 1.00 0.00 N < ATOM 94 CA ALA A 10 20.952 16.278 -3.532 1.00 0.00 C < ATOM 95 C ALA A 10 22.090 17.010 -2.832 1.00 0.00 C < ATOM 96 O ALA A 10 23.240 16.572 -2.872 1.00 0.00 O < ATOM 97 CB ALA A 10 20.044 17.270 -4.244 1.00 0.00 C < ATOM 98 H ALA A 10 20.289 14.469 -2.601 1.00 0.00 H < ATOM 99 HA ALA A 10 21.391 15.608 -4.271 1.00 0.00 H < ATOM 100 1HB ALA A 10 20.632 17.864 -4.944 1.00 0.00 H < ATOM 101 2HB ALA A 10 19.270 16.729 -4.788 1.00 0.00 H < ATOM 102 3HB ALA A 10 19.580 17.929 -3.512 1.00 0.00 H < ATOM 103 N ALA A 11 21.763 18.126 -2.190 1.00 0.00 N < ATOM 104 CA ALA A 11 22.739 18.875 -1.409 1.00 0.00 C < ATOM 105 C ALA A 11 23.713 19.620 -2.312 1.00 0.00 C < ATOM 106 O ALA A 11 23.564 20.819 -2.547 1.00 0.00 O < ATOM 107 CB ALA A 11 23.494 17.944 -0.471 1.00 0.00 C < ATOM 108 H ALA A 11 20.813 18.465 -2.245 1.00 0.00 H < ATOM 109 HA ALA A 11 22.203 19.615 -0.815 1.00 0.00 H < ATOM 110 1HB ALA A 11 24.220 18.518 0.105 1.00 0.00 H < ATOM 111 2HB ALA A 11 22.791 17.462 0.208 1.00 0.00 H < ATOM 112 3HB ALA A 11 24.013 17.184 -1.054 1.00 0.00 H < ATOM 113 N ALA A 12 24.711 18.903 -2.817 1.00 0.00 N < ATOM 114 CA ALA A 12 25.663 19.473 -3.764 1.00 0.00 C < ATOM 115 C ALA A 12 26.630 20.422 -3.068 1.00 0.00 C < ATOM 116 O ALA A 12 27.761 20.051 -2.755 1.00 0.00 O < ATOM 117 CB ALA A 12 24.928 20.194 -4.884 1.00 0.00 C < ATOM 118 H ALA A 12 24.813 17.937 -2.538 1.00 0.00 H < ATOM 119 HA ALA A 12 26.245 18.657 -4.192 1.00 0.00 H < ATOM 120 1HB ALA A 12 25.651 20.615 -5.582 1.00 0.00 H < ATOM 121 2HB ALA A 12 24.283 19.489 -5.410 1.00 0.00 H < ATOM 122 3HB ALA A 12 24.322 20.996 -4.464 1.00 0.00 H < ATOM 123 N ALA A 13 26.178 21.648 -2.828 1.00 0.00 N < ATOM 124 CA ALA A 13 26.971 22.626 -2.093 1.00 0.00 C < ATOM 125 C ALA A 13 28.116 23.160 -2.946 1.00 0.00 C < ATOM 126 O ALA A 13 28.022 24.246 -3.517 1.00 0.00 O < ATOM 127 CB ALA A 13 27.510 22.014 -0.808 1.00 0.00 C < ATOM 128 H ALA A 13 25.262 21.909 -3.164 1.00 0.00 H < ATOM 129 HA ALA A 13 26.324 23.466 -1.840 1.00 0.00 H < ATOM 130 1HB ALA A 13 28.099 22.757 -0.271 1.00 0.00 H < ATOM 131 2HB ALA A 13 26.678 21.690 -0.183 1.00 0.00 H < ATOM 132 3HB ALA A 13 28.137 21.158 -1.049 1.00 0.00 H < ATOM 133 N ALA A 14 29.195 22.390 -3.027 1.00 0.00 N < ATOM 134 CA ALA A 14 30.326 22.743 -3.877 1.00 0.00 C < ATOM 135 C ALA A 14 31.128 23.891 -3.279 1.00 0.00 C < ATOM 136 O ALA A 14 32.167 23.675 -2.655 1.00 0.00 O < ATOM 137 CB ALA A 14 29.845 23.106 -5.275 1.00 0.00 C < ATOM 138 H ALA A 14 29.234 21.538 -2.486 1.00 0.00 H < ATOM 139 HA ALA A 14 30.983 21.875 -3.944 1.00 0.00 H < ATOM 140 1HB ALA A 14 30.700 23.367 -5.898 1.00 0.00 H < ATOM 141 2HB ALA A 14 29.323 22.255 -5.713 1.00 0.00 H < ATOM 142 3HB ALA A 14 29.166 23.955 -5.216 1.00 0.00 H < ATOM 143 N ALA A 15 30.640 25.111 -3.472 1.00 0.00 N < ATOM 144 CA ALA A 15 31.263 26.289 -2.880 1.00 0.00 C < ATOM 145 C ALA A 15 32.562 26.641 -3.592 1.00 0.00 C < ATOM 146 O ALA A 15 32.595 27.533 -4.440 1.00 0.00 O < ATOM 147 CB ALA A 15 31.518 26.064 -1.396 1.00 0.00 C < ATOM 148 H ALA A 15 29.815 25.226 -4.044 1.00 0.00 H < ATOM 149 HA ALA A 15 30.579 27.129 -2.997 1.00 0.00 H < ATOM 150 1HB ALA A 15 31.983 26.951 -0.968 1.00 0.00 H < ATOM 151 2HB ALA A 15 30.572 25.870 -0.890 1.00 0.00 H < ATOM 152 3HB ALA A 15 32.180 25.209 -1.267 1.00 0.00 H < ATOM 153 N ALA A 16 33.633 25.935 -3.244 1.00 0.00 N < ATOM 154 CA ALA A 16 34.918 26.113 -3.909 1.00 0.00 C < ATOM 155 C ALA A 16 35.580 27.419 -3.489 1.00 0.00 C < ATOM 156 O ALA A 16 36.464 27.430 -2.632 1.00 0.00 O < ATOM 157 CB ALA A 16 34.742 26.072 -5.420 1.00 0.00 C < ATOM 158 H ALA A 16 33.554 25.258 -2.499 1.00 0.00 H < ATOM 159 HA ALA A 16 35.572 25.295 -3.607 1.00 0.00 H < ATOM 160 1HB ALA A 16 35.710 26.206 -5.903 1.00 0.00 H < ATOM 161 2HB ALA A 16 34.322 25.109 -5.711 1.00 0.00 H < ATOM 162 3HB ALA A 16 34.069 26.870 -5.730 1.00 0.00 H < ATOM 163 N ALA A 17 35.146 28.519 -4.096 1.00 0.00 N < ATOM 164 CA ALA A 17 35.635 29.841 -3.725 1.00 0.00 C < ATOM 165 C ALA A 17 37.056 30.064 -4.227 1.00 0.00 C < ATOM 166 O ALA A 17 37.268 30.704 -5.256 1.00 0.00 O < ATOM 167 CB ALA A 17 35.571 30.026 -2.216 1.00 0.00 C < ATOM 168 H ALA A 17 34.461 28.436 -4.833 1.00 0.00 H < ATOM 169 HA ALA A 17 34.993 30.584 -4.199 1.00 0.00 H < ATOM 170 1HB ALA A 17 35.939 31.019 -1.955 1.00 0.00 H < ATOM 171 2HB ALA A 17 34.540 29.922 -1.880 1.00 0.00 H < ATOM 172 3HB ALA A 17 36.189 29.272 -1.731 1.00 0.00 H < ATOM 173 N ALA A 18 38.027 29.532 -3.492 1.00 0.00 N < ATOM 174 CA ALA A 18 39.424 29.598 -3.905 1.00 0.00 C < ATOM 175 C ALA A 18 39.986 31.002 -3.723 1.00 0.00 C < ATOM 176 O ALA A 18 40.671 31.284 -2.740 1.00 0.00 O < ATOM 177 CB ALA A 18 39.570 29.154 -5.353 1.00 0.00 C < ATOM 178 H ALA A 18 37.792 29.070 -2.626 1.00 0.00 H < ATOM 179 HA ALA A 18 39.997 28.924 -3.270 1.00 0.00 H < ATOM 180 1HB ALA A 18 40.618 29.209 -5.647 1.00 0.00 H < ATOM 181 2HB ALA A 18 39.217 28.128 -5.456 1.00 0.00 H < ATOM 182 3HB ALA A 18 38.979 29.806 -5.995 1.00 0.00 H < ATOM 183 N ALA A 19 39.693 31.880 -4.677 1.00 0.00 N < ATOM 184 CA ALA A 19 40.097 33.278 -4.582 1.00 0.00 C < ATOM 185 C ALA A 19 41.592 33.437 -4.824 1.00 0.00 C < ATOM 186 O ALA A 19 42.018 33.796 -5.922 1.00 0.00 O < ATOM 187 CB ALA A 19 39.718 33.847 -3.222 1.00 0.00 C < ATOM 188 H ALA A 19 39.178 31.571 -5.488 1.00 0.00 H < ATOM 189 HA ALA A 19 39.571 33.835 -5.357 1.00 0.00 H < ATOM 190 1HB ALA A 19 40.026 34.891 -3.167 1.00 0.00 H < ATOM 191 2HB ALA A 19 38.638 33.779 -3.087 1.00 0.00 H < ATOM 192 3HB ALA A 19 40.218 33.280 -2.439 1.00 0.00 H < ATOM 193 N ALA A 20 42.386 33.168 -3.793 1.00 0.00 N < ATOM 194 CA ALA A 20 43.838 33.199 -3.916 1.00 0.00 C < ATOM 195 C ALA A 20 44.354 34.629 -4.005 1.00 0.00 C < ATOM 196 O ALA A 20 44.817 35.195 -3.014 1.00 0.00 O < ATOM 197 CB ALA A 20 44.284 32.400 -5.132 1.00 0.00 C < ATOM 198 H ALA A 20 41.972 32.937 -2.901 1.00 0.00 H < ATOM 199 HA ALA A 20 44.263 32.745 -3.021 1.00 0.00 H < ATOM 200 1HB ALA A 20 45.371 32.432 -5.210 1.00 0.00 H < ATOM 201 2HB ALA A 20 43.958 31.365 -5.027 1.00 0.00 H < ATOM 202 3HB ALA A 20 43.843 32.829 -6.031 1.00 0.00 H < ATOM 203 N ALA A 21 44.270 35.210 -5.197 1.00 0.00 N < ATOM 204 CA ALA A 21 44.648 36.604 -5.398 1.00 0.00 C < ATOM 205 C ALA A 21 46.161 36.775 -5.365 1.00 0.00 C < ATOM 206 O ALA A 21 46.809 36.857 -6.409 1.00 0.00 O < ATOM 207 CB ALA A 21 43.993 37.488 -4.346 1.00 0.00 C < ATOM 208 H ALA A 21 43.936 34.673 -5.984 1.00 0.00 H < ATOM 209 HA ALA A 21 44.298 36.911 -6.384 1.00 0.00 H < ATOM 210 1HB ALA A 21 44.285 38.525 -4.510 1.00 0.00 H < ATOM 211 2HB ALA A 21 42.909 37.400 -4.420 1.00 0.00 H < ATOM 212 3HB ALA A 21 44.315 37.173 -3.355 1.00 0.00 H < ATOM 213 N ALA A 22 46.720 36.828 -4.161 1.00 0.00 N < ATOM 214 CA ALA A 22 48.166 36.903 -3.990 1.00 0.00 C < ATOM 215 C ALA A 22 48.691 38.287 -4.350 1.00 0.00 C < ATOM 216 O ALA A 22 48.938 39.116 -3.473 1.00 0.00 O < ATOM 217 CB ALA A 22 48.855 35.840 -4.831 1.00 0.00 C < ATOM 218 H ALA A 22 46.127 36.816 -3.343 1.00 0.00 H < ATOM 219 HA ALA A 22 48.392 36.723 -2.939 1.00 0.00 H < ATOM 220 1HB ALA A 22 49.934 35.909 -4.693 1.00 0.00 H < ATOM 221 2HB ALA A 22 48.512 34.852 -4.522 1.00 0.00 H < ATOM 222 3HB ALA A 22 48.614 35.995 -5.882 1.00 0.00 H < ATOM 223 N ALA A 23 48.862 38.531 -5.645 1.00 0.00 N < ATOM 224 CA ALA A 23 49.273 39.843 -6.130 1.00 0.00 C < ATOM 225 C ALA A 23 50.746 40.101 -5.838 1.00 0.00 C < ATOM 226 O ALA A 23 51.600 39.936 -6.709 1.00 0.00 O < ATOM 227 CB ALA A 23 48.412 40.932 -5.507 1.00 0.00 C < ATOM 228 H ALA A 23 48.702 37.788 -6.311 1.00 0.00 H < ATOM 229 HA ALA A 23 49.139 39.862 -7.211 1.00 0.00 H < ATOM 230 1HB ALA A 23 48.732 41.906 -5.879 1.00 0.00 H < ATOM 231 2HB ALA A 23 47.368 40.767 -5.773 1.00 0.00 H < ATOM 232 3HB ALA A 23 48.519 40.905 -4.424 1.00 0.00 H < ATOM 233 N ALA A 24 51.038 40.506 -4.606 1.00 0.00 N < ATOM 234 CA ALA A 24 52.403 40.826 -4.208 1.00 0.00 C < ATOM 235 C ALA A 24 52.911 42.067 -4.931 1.00 0.00 C < ATOM 236 O ALA A 24 52.505 42.351 -6.057 1.00 0.00 O < ATOM 237 OXT ALA A 24 53.717 42.782 -4.401 1.00 0.00 O < ATOM 238 CB ALA A 24 53.324 39.644 -4.477 1.00 0.00 C < ATOM 239 H ALA A 24 50.294 40.594 -3.928 1.00 0.00 H < ATOM 240 HA ALA A 24 52.404 41.038 -3.139 1.00 0.00 H < ATOM 241 1HB ALA A 24 54.340 39.899 -4.174 1.00 0.00 H < ATOM 242 2HB ALA A 24 52.982 38.780 -3.908 1.00 0.00 H < ATOM 243 3HB ALA A 24 53.311 39.407 -5.539 1.00 0.00 H --- > ATOM 13 N ALA A 2 1.847 2.112 -1.123 1.00 0.00 N > ATOM 14 CA ALA A 2 2.224 3.517 -1.218 1.00 0.00 C > ATOM 15 C ALA A 2 3.737 3.679 -1.281 1.00 0.00 C > ATOM 16 O ALA A 2 4.308 3.857 -2.357 1.00 0.00 O > ATOM 17 CB ALA A 2 1.657 4.298 -0.041 1.00 0.00 C > ATOM 18 H ALA A 2 1.454 1.653 -1.932 1.00 0.00 H > ATOM 19 HA ALA A 2 1.806 3.918 -2.141 1.00 0.00 H > ATOM 20 1HB ALA A 2 1.946 5.346 -0.126 1.00 0.00 H > ATOM 21 2HB ALA A 2 0.570 4.221 -0.043 1.00 0.00 H > ATOM 22 3HB ALA A 2 2.047 3.889 0.889 1.00 0.00 H > ATOM 23 N ALA A 3 4.383 3.617 -0.121 1.00 0.00 N > ATOM 24 CA ALA A 3 5.838 3.667 -0.050 1.00 0.00 C > ATOM 25 C ALA A 3 6.354 5.075 -0.319 1.00 0.00 C > ATOM 26 O ALA A 3 6.674 5.817 0.610 1.00 0.00 O > ATOM 27 CB ALA A 3 6.450 2.683 -1.036 1.00 0.00 C > ATOM 28 H ALA A 3 3.851 3.532 0.734 1.00 0.00 H > ATOM 29 HA ALA A 3 6.138 3.388 0.960 1.00 0.00 H > ATOM 30 1HB ALA A 3 7.537 2.732 -0.971 1.00 0.00 H > ATOM 31 2HB ALA A 3 6.118 1.673 -0.795 1.00 0.00 H > ATOM 32 3HB ALA A 3 6.135 2.937 -2.047 1.00 0.00 H > ATOM 33 N ALA A 4 6.433 5.438 -1.595 1.00 0.00 N > ATOM 34 CA ALA A 4 6.828 6.786 -1.985 1.00 0.00 C > ATOM 35 C ALA A 4 8.321 7.004 -1.778 1.00 0.00 C > ATOM 36 O ALA A 4 9.107 6.923 -2.722 1.00 0.00 O > ATOM 37 CB ALA A 4 6.029 7.819 -1.203 1.00 0.00 C > ATOM 38 H ALA A 4 6.214 4.762 -2.313 1.00 0.00 H > ATOM 39 HA ALA A 4 6.617 6.906 -3.047 1.00 0.00 H > ATOM 40 1HB ALA A 4 6.335 8.820 -1.506 1.00 0.00 H > ATOM 41 2HB ALA A 4 4.966 7.687 -1.407 1.00 0.00 H > ATOM 42 3HB ALA A 4 6.213 7.690 -0.138 1.00 0.00 H > ATOM 43 N ALA A 5 8.707 7.282 -0.537 1.00 0.00 N > ATOM 44 CA ALA A 5 10.115 7.429 -0.188 1.00 0.00 C > ATOM 45 C ALA A 5 10.678 8.744 -0.711 1.00 0.00 C > ATOM 46 O ALA A 5 10.797 9.719 0.031 1.00 0.00 O > ATOM 47 CB ALA A 5 10.920 6.256 -0.728 1.00 0.00 C > ATOM 48 H ALA A 5 8.007 7.394 0.182 1.00 0.00 H > ATOM 49 HA ALA A 5 10.195 7.440 0.899 1.00 0.00 H > ATOM 50 1HB ALA A 5 11.969 6.380 -0.459 1.00 0.00 H > ATOM 51 2HB ALA A 5 10.543 5.327 -0.299 1.00 0.00 H > ATOM 52 3HB ALA A 5 10.826 6.219 -1.812 1.00 0.00 H > ATOM 53 N ALA A 6 11.025 8.764 -1.994 1.00 0.00 N > ATOM 54 CA ALA A 6 11.497 9.982 -2.640 1.00 0.00 C > ATOM 55 C ALA A 6 12.914 10.326 -2.200 1.00 0.00 C > ATOM 56 O ALA A 6 13.881 10.043 -2.908 1.00 0.00 O > ATOM 57 CB ALA A 6 10.555 11.140 -2.342 1.00 0.00 C > ATOM 58 H ALA A 6 10.960 7.914 -2.535 1.00 0.00 H > ATOM 59 HA ALA A 6 11.515 9.810 -3.717 1.00 0.00 H > ATOM 60 1HB ALA A 6 10.921 12.042 -2.832 1.00 0.00 H > ATOM 61 2HB ALA A 6 9.559 10.903 -2.715 1.00 0.00 H > ATOM 62 3HB ALA A 6 10.510 11.304 -1.267 1.00 0.00 H > ATOM 63 N ALA A 7 13.032 10.939 -1.026 1.00 0.00 N > ATOM 64 CA ALA A 7 14.335 11.246 -0.450 1.00 0.00 C > ATOM 65 C ALA A 7 15.000 12.407 -1.179 1.00 0.00 C > ATOM 66 O ALA A 7 14.962 13.547 -0.715 1.00 0.00 O > ATOM 67 CB ALA A 7 15.232 10.018 -0.482 1.00 0.00 C > ATOM 68 H ALA A 7 12.196 11.198 -0.521 1.00 0.00 H > ATOM 69 HA ALA A 7 14.184 11.546 0.588 1.00 0.00 H > ATOM 70 1HB ALA A 7 16.201 10.263 -0.048 1.00 0.00 H > ATOM 71 2HB ALA A 7 14.770 9.215 0.092 1.00 0.00 H > ATOM 72 3HB ALA A 7 15.368 9.694 -1.513 1.00 0.00 H > ATOM 73 N ALA A 8 15.608 12.110 -2.322 1.00 0.00 N > ATOM 74 CA ALA A 8 16.209 13.141 -3.160 1.00 0.00 C > ATOM 75 C ALA A 8 17.503 13.663 -2.548 1.00 0.00 C > ATOM 76 O ALA A 8 18.596 13.257 -2.943 1.00 0.00 O > ATOM 77 CB ALA A 8 15.229 14.284 -3.379 1.00 0.00 C > ATOM 78 H ALA A 8 15.656 11.146 -2.618 1.00 0.00 H > ATOM 79 HA ALA A 8 16.452 12.694 -4.124 1.00 0.00 H > ATOM 80 1HB ALA A 8 15.692 15.045 -4.006 1.00 0.00 H > ATOM 81 2HB ALA A 8 14.333 13.905 -3.870 1.00 0.00 H > ATOM 82 3HB ALA A 8 14.959 14.721 -2.419 1.00 0.00 H > ATOM 83 N ALA A 9 17.373 14.566 -1.582 1.00 0.00 N > ATOM 84 CA ALA A 9 18.526 15.083 -0.855 1.00 0.00 C > ATOM 85 C ALA A 9 19.333 16.046 -1.716 1.00 0.00 C > ATOM 86 O ALA A 9 19.202 17.264 -1.591 1.00 0.00 O > ATOM 87 CB ALA A 9 19.407 13.938 -0.376 1.00 0.00 C > ATOM 88 H ALA A 9 16.451 14.903 -1.345 1.00 0.00 H > ATOM 89 HA ALA A 9 18.161 15.634 0.011 1.00 0.00 H > ATOM 90 1HB ALA A 9 20.264 14.340 0.165 1.00 0.00 H > ATOM 91 2HB ALA A 9 18.832 13.289 0.285 1.00 0.00 H > ATOM 92 3HB ALA A 9 19.756 13.364 -1.233 1.00 0.00 H > ATOM 93 N ALA A 10 20.168 15.494 -2.590 1.00 0.00 N > ATOM 94 CA ALA A 10 20.934 16.301 -3.532 1.00 0.00 C > ATOM 95 C ALA A 10 22.072 17.033 -2.831 1.00 0.00 C > ATOM 96 O ALA A 10 23.222 16.596 -2.873 1.00 0.00 O > ATOM 97 CB ALA A 10 20.025 17.293 -4.243 1.00 0.00 C > ATOM 98 H ALA A 10 20.273 14.490 -2.602 1.00 0.00 H > ATOM 99 HA ALA A 10 21.373 15.632 -4.272 1.00 0.00 H > ATOM 100 1HB ALA A 10 20.613 17.888 -4.942 1.00 0.00 H > ATOM 101 2HB ALA A 10 19.251 16.752 -4.787 1.00 0.00 H > ATOM 102 3HB ALA A 10 19.561 17.950 -3.509 1.00 0.00 H > ATOM 103 N ALA A 11 21.744 18.148 -2.188 1.00 0.00 N > ATOM 104 CA ALA A 11 22.720 18.898 -1.407 1.00 0.00 C > ATOM 105 C ALA A 11 23.693 19.645 -2.311 1.00 0.00 C > ATOM 106 O ALA A 11 23.542 20.844 -2.544 1.00 0.00 O > ATOM 107 CB ALA A 11 23.477 17.966 -0.471 1.00 0.00 C > ATOM 108 H ALA A 11 20.794 18.486 -2.242 1.00 0.00 H > ATOM 109 HA ALA A 11 22.183 19.636 -0.812 1.00 0.00 H > ATOM 110 1HB ALA A 11 24.202 18.540 0.105 1.00 0.00 H > ATOM 111 2HB ALA A 11 22.774 17.483 0.208 1.00 0.00 H > ATOM 112 3HB ALA A 11 23.997 17.208 -1.055 1.00 0.00 H > ATOM 113 N ALA A 12 24.691 18.929 -2.817 1.00 0.00 N > ATOM 114 CA ALA A 12 25.641 19.501 -3.763 1.00 0.00 C > ATOM 115 C ALA A 12 26.608 20.450 -3.067 1.00 0.00 C > ATOM 116 O ALA A 12 27.740 20.080 -2.755 1.00 0.00 O > ATOM 117 CB ALA A 12 24.905 20.223 -4.882 1.00 0.00 C > ATOM 118 H ALA A 12 24.794 17.963 -2.539 1.00 0.00 H > ATOM 119 HA ALA A 12 26.224 18.686 -4.193 1.00 0.00 H > ATOM 120 1HB ALA A 12 25.628 20.645 -5.580 1.00 0.00 H > ATOM 121 2HB ALA A 12 24.261 19.518 -5.408 1.00 0.00 H > ATOM 122 3HB ALA A 12 24.298 21.023 -4.461 1.00 0.00 H > ATOM 123 N ALA A 13 26.155 21.676 -2.825 1.00 0.00 N > ATOM 124 CA ALA A 13 26.948 22.654 -2.090 1.00 0.00 C > ATOM 125 C ALA A 13 28.091 23.190 -2.943 1.00 0.00 C > ATOM 126 O ALA A 13 27.996 24.277 -3.513 1.00 0.00 O > ATOM 127 CB ALA A 13 27.488 22.041 -0.806 1.00 0.00 C > ATOM 128 H ALA A 13 25.239 21.936 -3.160 1.00 0.00 H > ATOM 129 HA ALA A 13 26.300 23.493 -1.835 1.00 0.00 H > ATOM 130 1HB ALA A 13 28.078 22.784 -0.269 1.00 0.00 H > ATOM 131 2HB ALA A 13 26.657 21.715 -0.181 1.00 0.00 H > ATOM 132 3HB ALA A 13 28.117 21.186 -1.048 1.00 0.00 H > ATOM 133 N ALA A 14 29.171 22.421 -3.026 1.00 0.00 N > ATOM 134 CA ALA A 14 30.301 22.776 -3.877 1.00 0.00 C > ATOM 135 C ALA A 14 31.102 23.924 -3.277 1.00 0.00 C > ATOM 136 O ALA A 14 32.142 23.709 -2.654 1.00 0.00 O > ATOM 137 CB ALA A 14 29.818 23.141 -5.273 1.00 0.00 C > ATOM 138 H ALA A 14 29.211 21.568 -2.486 1.00 0.00 H > ATOM 139 HA ALA A 14 30.959 21.910 -3.945 1.00 0.00 H > ATOM 140 1HB ALA A 14 30.673 23.404 -5.896 1.00 0.00 H > ATOM 141 2HB ALA A 14 29.297 22.290 -5.712 1.00 0.00 H > ATOM 142 3HB ALA A 14 29.139 23.990 -5.213 1.00 0.00 H > ATOM 143 N ALA A 15 30.612 25.144 -3.468 1.00 0.00 N > ATOM 144 CA ALA A 15 31.235 26.322 -2.875 1.00 0.00 C > ATOM 145 C ALA A 15 32.534 26.676 -3.588 1.00 0.00 C > ATOM 146 O ALA A 15 32.564 27.570 -4.434 1.00 0.00 O > ATOM 147 CB ALA A 15 31.492 26.095 -1.392 1.00 0.00 C > ATOM 148 H ALA A 15 29.787 25.259 -4.039 1.00 0.00 H > ATOM 149 HA ALA A 15 30.550 27.162 -2.990 1.00 0.00 H > ATOM 150 1HB ALA A 15 31.957 26.983 -0.963 1.00 0.00 H > ATOM 151 2HB ALA A 15 30.547 25.900 -0.885 1.00 0.00 H > ATOM 152 3HB ALA A 15 32.155 25.241 -1.264 1.00 0.00 H > ATOM 153 N ALA A 16 33.605 25.971 -3.242 1.00 0.00 N > ATOM 154 CA ALA A 16 34.889 26.152 -3.908 1.00 0.00 C > ATOM 155 C ALA A 16 35.550 27.458 -3.486 1.00 0.00 C > ATOM 156 O ALA A 16 36.435 27.468 -2.630 1.00 0.00 O > ATOM 157 CB ALA A 16 34.713 26.113 -5.419 1.00 0.00 C > ATOM 158 H ALA A 16 33.528 25.293 -2.498 1.00 0.00 H > ATOM 159 HA ALA A 16 35.544 25.334 -3.608 1.00 0.00 H > ATOM 160 1HB ALA A 16 35.680 26.249 -5.902 1.00 0.00 H > ATOM 161 2HB ALA A 16 34.293 25.150 -5.712 1.00 0.00 H > ATOM 162 3HB ALA A 16 34.038 26.910 -5.727 1.00 0.00 H > ATOM 163 N ALA A 17 35.115 28.558 -4.091 1.00 0.00 N > ATOM 164 CA ALA A 17 35.603 29.880 -3.719 1.00 0.00 C > ATOM 165 C ALA A 17 37.023 30.105 -4.222 1.00 0.00 C > ATOM 166 O ALA A 17 37.233 30.747 -5.251 1.00 0.00 O > ATOM 167 CB ALA A 17 35.541 30.063 -2.210 1.00 0.00 C > ATOM 168 H ALA A 17 34.429 28.475 -4.827 1.00 0.00 H > ATOM 169 HA ALA A 17 34.960 30.623 -4.191 1.00 0.00 H > ATOM 170 1HB ALA A 17 35.908 31.055 -1.948 1.00 0.00 H > ATOM 171 2HB ALA A 17 34.510 29.957 -1.872 1.00 0.00 H > ATOM 172 3HB ALA A 17 36.159 29.308 -1.726 1.00 0.00 H > ATOM 173 N ALA A 18 37.995 29.573 -3.489 1.00 0.00 N > ATOM 174 CA ALA A 18 39.392 29.641 -3.904 1.00 0.00 C > ATOM 175 C ALA A 18 39.953 31.046 -3.720 1.00 0.00 C > ATOM 176 O ALA A 18 40.638 31.327 -2.736 1.00 0.00 O > ATOM 177 CB ALA A 18 39.536 29.200 -5.353 1.00 0.00 C > ATOM 178 H ALA A 18 37.762 29.109 -2.623 1.00 0.00 H > ATOM 179 HA ALA A 18 39.967 28.966 -3.270 1.00 0.00 H > ATOM 180 1HB ALA A 18 40.584 29.256 -5.647 1.00 0.00 H > ATOM 181 2HB ALA A 18 39.185 28.173 -5.457 1.00 0.00 H > ATOM 182 3HB ALA A 18 38.944 29.852 -5.992 1.00 0.00 H > ATOM 183 N ALA A 19 39.658 31.925 -4.671 1.00 0.00 N > ATOM 184 CA ALA A 19 40.060 33.323 -4.574 1.00 0.00 C > ATOM 185 C ALA A 19 41.555 33.484 -4.819 1.00 0.00 C > ATOM 186 O ALA A 19 41.979 33.845 -5.917 1.00 0.00 O > ATOM 187 CB ALA A 19 39.683 33.890 -3.213 1.00 0.00 C > ATOM 188 H ALA A 19 39.141 31.616 -5.483 1.00 0.00 H > ATOM 189 HA ALA A 19 39.533 33.881 -5.348 1.00 0.00 H > ATOM 190 1HB ALA A 19 39.990 34.934 -3.156 1.00 0.00 H > ATOM 191 2HB ALA A 19 38.603 33.821 -3.077 1.00 0.00 H > ATOM 192 3HB ALA A 19 40.184 33.321 -2.431 1.00 0.00 H > ATOM 193 N ALA A 20 42.350 33.214 -3.789 1.00 0.00 N > ATOM 194 CA ALA A 20 43.802 33.246 -3.914 1.00 0.00 C > ATOM 195 C ALA A 20 44.317 34.677 -4.000 1.00 0.00 C > ATOM 196 O ALA A 20 44.781 35.241 -3.010 1.00 0.00 O > ATOM 197 CB ALA A 20 44.247 32.449 -5.132 1.00 0.00 C > ATOM 198 H ALA A 20 41.938 32.981 -2.897 1.00 0.00 H > ATOM 199 HA ALA A 20 44.229 32.791 -3.019 1.00 0.00 H > ATOM 200 1HB ALA A 20 45.334 32.483 -5.211 1.00 0.00 H > ATOM 201 2HB ALA A 20 43.923 31.414 -5.028 1.00 0.00 H > ATOM 202 3HB ALA A 20 43.805 32.880 -6.029 1.00 0.00 H > ATOM 203 N ALA A 21 44.231 35.260 -5.191 1.00 0.00 N > ATOM 204 CA ALA A 21 44.606 36.655 -5.390 1.00 0.00 C > ATOM 205 C ALA A 21 46.119 36.828 -5.359 1.00 0.00 C > ATOM 206 O ALA A 21 46.766 36.913 -6.403 1.00 0.00 O > ATOM 207 CB ALA A 21 43.951 37.535 -4.337 1.00 0.00 C > ATOM 208 H ALA A 21 43.897 34.723 -5.979 1.00 0.00 H > ATOM 209 HA ALA A 21 44.255 36.963 -6.376 1.00 0.00 H > ATOM 210 1HB ALA A 21 44.241 38.574 -4.499 1.00 0.00 H > ATOM 211 2HB ALA A 21 42.867 37.446 -4.410 1.00 0.00 H > ATOM 212 3HB ALA A 21 44.274 37.219 -3.346 1.00 0.00 H > ATOM 213 N ALA A 22 46.679 36.880 -4.155 1.00 0.00 N > ATOM 214 CA ALA A 22 48.124 36.960 -3.984 1.00 0.00 C > ATOM 215 C ALA A 22 48.646 38.345 -4.342 1.00 0.00 C > ATOM 216 O ALA A 22 48.891 39.173 -3.465 1.00 0.00 O > ATOM 217 CB ALA A 22 48.816 35.900 -4.829 1.00 0.00 C > ATOM 218 H ALA A 22 46.087 36.865 -3.336 1.00 0.00 H > ATOM 219 HA ALA A 22 48.352 36.778 -2.934 1.00 0.00 H > ATOM 220 1HB ALA A 22 49.895 35.971 -4.691 1.00 0.00 H > ATOM 221 2HB ALA A 22 48.476 34.910 -4.522 1.00 0.00 H > ATOM 222 3HB ALA A 22 48.574 36.056 -5.879 1.00 0.00 H > ATOM 223 N ALA A 23 48.814 38.592 -5.637 1.00 0.00 N > ATOM 224 CA ALA A 23 49.222 39.906 -6.119 1.00 0.00 C > ATOM 225 C ALA A 23 50.694 40.167 -5.828 1.00 0.00 C > ATOM 226 O ALA A 23 51.548 40.007 -6.701 1.00 0.00 O > ATOM 227 CB ALA A 23 48.359 40.992 -5.494 1.00 0.00 C > ATOM 228 H ALA A 23 48.655 37.851 -6.304 1.00 0.00 H > ATOM 229 HA ALA A 23 49.087 39.927 -7.201 1.00 0.00 H > ATOM 230 1HB ALA A 23 48.675 41.967 -5.864 1.00 0.00 H > ATOM 231 2HB ALA A 23 47.315 40.825 -5.759 1.00 0.00 H > ATOM 232 3HB ALA A 23 48.466 40.963 -4.411 1.00 0.00 H > ATOM 233 N ALA A 24 50.986 40.570 -4.596 1.00 0.00 N > ATOM 234 CA ALA A 24 52.352 40.888 -4.197 1.00 0.00 C > ATOM 235 C ALA A 24 52.859 42.133 -4.913 1.00 0.00 C > ATOM 236 O ALA A 24 52.452 42.424 -6.038 1.00 0.00 O > ATOM 237 OXT ALA A 24 53.666 42.845 -4.381 1.00 0.00 O > ATOM 238 CB ALA A 24 53.273 39.708 -4.473 1.00 0.00 C > ATOM 239 H ALA A 24 50.243 40.659 -3.918 1.00 0.00 H > ATOM 240 HA ALA A 24 52.353 41.094 -3.127 1.00 0.00 H > ATOM 241 1HB ALA A 24 54.289 39.961 -4.170 1.00 0.00 H > ATOM 242 2HB ALA A 24 52.931 38.840 -3.908 1.00 0.00 H > ATOM 243 3HB ALA A 24 53.259 39.477 -5.536 1.00 0.00 H 526,550c526,550 < pose -29.4036 38.797 18.8955 0.015 -5.71023 0 -15.4826 0 0 0 0 27.508 2.29097 0 -6.82195 0 18.5698 48.6579 < ALA:NtermProteinFull_1 -0.65317 0.76249 0.55362 0.00105 0.09317 0 0 0 0 0 0 0 0.17393 0 0 0 0.77374 1.70483 < ALA_2 -0.88555 1.49031 0.66079 0.00059 0.06611 0 0 0 0 0 0 1.25024 0.10247 0 -0.33441 0 0.77374 3.12429 < ALA_3 -1.30334 1.71125 0.80228 0.00059 -0.3147 0 0 0 0 0 0 1.2517 0.09911 0 -0.30872 0 0.77374 2.71192 < ALA_4 -1.29953 1.71314 0.79879 0.00059 -0.3226 0 0 0 0 0 0 1.25097 0.09889 0 -0.30972 0 0.77374 2.70427 < ALA_5 -1.29955 1.71198 0.79858 0.00059 -0.32225 0 0 0 0 0 0 1.25083 0.09919 0 -0.30775 0 0.77374 2.70537 < ALA_6 -1.29962 1.71215 0.79862 0.00059 -0.32228 0 0 0 0 0 0 1.25088 0.0992 0 -0.30818 0 0.77374 2.70511 < ALA_7 -1.29961 1.71213 0.79862 0.00059 -0.32228 0 0 0 0 0 0 1.25088 0.0992 0 -0.3082 0 0.77374 2.70509 < ALA_8 -1.29961 1.71213 0.79862 0.00059 -0.32228 0 0 0 0 0 0 1.25088 0.0992 0 -0.30821 0 0.77374 2.70509 < ALA_9 -1.29961 1.71213 0.79862 0.00059 -0.32228 0 0 0 0 0 0 1.25088 0.0992 0 -0.30821 0 0.77374 2.70509 < ALA_10 -1.29961 1.71213 0.79862 0.00059 -0.32228 0 0 0 0 0 0 1.25088 0.0992 0 -0.30821 0 0.77374 2.70509 < ALA_11 -1.29961 1.71213 0.79862 0.00059 -0.32228 0 0 0 0 0 0 1.25088 0.0992 0 -0.30821 0 0.77374 2.70509 < ALA_12 -1.29961 1.71213 0.79862 0.00059 -0.32228 0 0 0 0 0 0 1.25088 0.0992 0 -0.30821 0 0.77374 2.70509 < ALA_13 -1.29961 1.71213 0.79862 0.00059 -0.32228 0 0 0 0 0 0 1.25088 0.0992 0 -0.30821 0 0.77374 2.70509 < ALA_14 -1.29961 1.71213 0.79862 0.00059 -0.32228 0 0 0 0 0 0 1.25088 0.0992 0 -0.30821 0 0.77374 2.70509 < ALA_15 -1.29961 1.71213 0.79862 0.00059 -0.32228 0 0 0 0 0 0 1.25088 0.0992 0 -0.30821 0 0.77374 2.70509 < ALA_16 -1.29961 1.71213 0.79862 0.00059 -0.32228 0 0 0 0 0 0 1.25088 0.0992 0 -0.30821 0 0.77374 2.70509 < ALA_17 -1.2996 1.71213 0.79862 0.00059 -0.32228 0 0 0 0 0 0 1.25088 0.0992 0 -0.30821 0 0.77374 2.70509 < ALA_18 -1.29957 1.71215 0.79862 0.00059 -0.3223 0 0 0 0 0 0 1.25088 0.09917 0 -0.30821 0 0.77374 2.70508 < ALA_19 -1.2997 1.71259 0.79859 0.00059 -0.32225 0 0 0 0 0 0 1.25087 0.09877 0 -0.30821 0 0.77374 2.70499 < ALA_20 -1.29942 1.71255 0.7986 0.00059 -0.32234 0 0 0 0 0 0 1.25101 0.10045 0 -0.30849 0 0.77374 2.7067 < ALA_21 -1.30041 1.71242 0.7986 0.00059 -0.32172 0 0 0 0 0 0 1.25112 0.09855 0 -0.31004 0 0.77374 2.70286 < ALA_22 -1.28402 1.70881 0.8072 0.00059 -0.33211 0 0 0 0 0 0 1.25102 0.10819 0 -0.30784 0 0.77374 2.72558 < ALA_23 -1.06855 1.51703 0.89974 0.00059 0.28455 0 0 0 0 0 0 1.23875 0.02179 0 -0.32013 0 0.77374 3.34752 < ALA:CtermProteinFull_24 -0.81548 0.78665 0.79664 0.00095 0.29357 0 0 0 0 0 0 0 0 0 0 0 0.77374 1.83607 --- > pose -29.4021 38.8079 18.8938 0.015 -5.71351 0 -15.4812 0 0 0 0 27.5077 2.28254 0 -6.821 0 18.5698 48.6589 > ALA:NtermProteinFull_1 -0.65352 0.75925 0.55406 0.00105 0.09394 0 0 0 0 0 0 0 0.18089 0 0 0 0.77374 1.70942 > ALA_2 -0.88547 1.48439 0.66109 0.00059 0.06752 0 0 0 0 0 0 1.25078 0.10782 0 -0.33561 0 0.77374 3.12485 > ALA_3 -1.30365 1.70789 0.80268 0.00059 -0.31406 0 0 0 0 0 0 1.25047 0.10209 0 -0.31297 0 0.77374 2.70678 > ALA_4 -1.29937 1.71087 0.79872 0.00059 -0.32178 0 0 0 0 0 0 1.25087 0.09834 0 -0.30871 0 0.77374 2.70327 > ALA_5 -1.29938 1.71343 0.79865 0.00059 -0.32254 0 0 0 0 0 0 1.2509 0.09801 0 -0.30808 0 0.77374 2.70532 > ALA_6 -1.29946 1.71344 0.79855 0.00059 -0.32257 0 0 0 0 0 0 1.2509 0.09805 0 -0.30794 0 0.77374 2.70532 > ALA_7 -1.29948 1.71341 0.79855 0.00059 -0.32256 0 0 0 0 0 0 1.2509 0.09806 0 -0.30795 0 0.77374 2.70526 > ALA_8 -1.29948 1.71341 0.79855 0.00059 -0.32256 0 0 0 0 0 0 1.2509 0.09806 0 -0.30795 0 0.77374 2.70526 > ALA_9 -1.29948 1.71341 0.79855 0.00059 -0.32256 0 0 0 0 0 0 1.2509 0.09806 0 -0.30795 0 0.77374 2.70526 > ALA_10 -1.29948 1.71341 0.79855 0.00059 -0.32256 0 0 0 0 0 0 1.2509 0.09806 0 -0.30795 0 0.77374 2.70526 > ALA_11 -1.29948 1.71341 0.79855 0.00059 -0.32256 0 0 0 0 0 0 1.2509 0.09806 0 -0.30795 0 0.77374 2.70526 > ALA_12 -1.29948 1.71341 0.79855 0.00059 -0.32256 0 0 0 0 0 0 1.2509 0.09806 0 -0.30795 0 0.77374 2.70526 > ALA_13 -1.29948 1.71341 0.79855 0.00059 -0.32256 0 0 0 0 0 0 1.2509 0.09806 0 -0.30795 0 0.77374 2.70526 > ALA_14 -1.29948 1.71341 0.79855 0.00059 -0.32256 0 0 0 0 0 0 1.2509 0.09806 0 -0.30795 0 0.77374 2.70526 > ALA_15 -1.29948 1.71341 0.79855 0.00059 -0.32256 0 0 0 0 0 0 1.2509 0.09806 0 -0.30795 0 0.77374 2.70526 > ALA_16 -1.29948 1.71341 0.79855 0.00059 -0.32256 0 0 0 0 0 0 1.2509 0.09806 0 -0.30795 0 0.77374 2.70526 > ALA_17 -1.29947 1.71341 0.79855 0.00059 -0.32257 0 0 0 0 0 0 1.2509 0.09805 0 -0.30795 0 0.77374 2.70526 > ALA_18 -1.29953 1.71344 0.79855 0.00059 -0.32254 0 0 0 0 0 0 1.2509 0.09802 0 -0.30794 0 0.77374 2.70521 > ALA_19 -1.2999 1.71301 0.79857 0.00059 -0.32229 0 0 0 0 0 0 1.25096 0.09865 0 -0.30788 0 0.77374 2.70547 > ALA_20 -1.29912 1.71002 0.79873 0.00059 -0.32234 0 0 0 0 0 0 1.25109 0.10301 0 -0.30777 0 0.77374 2.70796 > ALA_21 -1.30068 1.71275 0.7985 0.00059 -0.32166 0 0 0 0 0 0 1.25049 0.09499 0 -0.30909 0 0.77374 2.69964 > ALA_22 -1.28427 1.71185 0.80722 0.00059 -0.33198 0 0 0 0 0 0 1.25115 0.10742 0 -0.30794 0 0.77374 2.72778 > ALA_23 -1.06799 1.52017 0.89872 0.00059 0.28267 0 0 0 0 0 0 1.2393 0.01664 0 -0.31967 0 0.77374 3.34417 > ALA:CtermProteinFull_24 -0.81556 0.78982 0.79577 0.00095 0.29231 0 0 0 0 0 0 0 0 0 0 0 0.77374 1.83702 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/backbonegridsampler_nstruct_mode/score_sorted.sc /home/benchmark/working_dir/commits:20505/backbonegridsampler_nstruct_mode/score_sorted.sc 1,2c1,2 < SCORE: 17193.272 0.000 -133.903 0.000 4.390 0.021 17236.377 78.227 0.000 -8.499 0.000 -3.036 1.257 -4.308 0.000 4.175 18.570 0.000 S_0015 < SCORE: 14087.469 0.000 -140.331 0.000 19.563 0.020 14106.941 80.089 0.000 -9.748 0.000 0.000 4.156 -0.133 0.000 8.342 18.570 0.000 S_0016 --- > SCORE: 15508.519 0.000 -146.164 0.000 12.686 0.021 15538.757 83.859 0.000 -8.631 0.000 0.000 2.796 -0.832 0.000 7.458 18.570 0.000 S_0016 > SCORE: 10746.679 0.000 -120.973 0.000 3.697 0.021 10785.761 69.606 0.000 -7.872 0.000 -3.700 1.862 -4.184 0.000 3.891 18.570 0.000 S_0015 8c8,9 < SCORE: 48.658 0.000 -29.404 0.000 -5.710 0.015 38.797 18.896 0.000 0.000 0.000 -15.483 2.291 -6.822 0.000 27.508 18.570 0.000 S_0020 --- > SCORE: 48.659 0.000 -29.402 0.000 -5.714 0.015 38.808 18.894 0.000 0.000 0.000 -15.481 2.283 -6.821 0.000 27.508 18.570 0.000 S_0020 > SCORE: 48.658 0.000 -29.404 0.000 -5.711 0.015 38.798 18.896 0.000 0.000 0.000 -15.483 2.290 -6.822 0.000 27.509 18.570 0.000 S_0019 10d10 < SCORE: 48.658 0.000 -29.403 0.000 -5.710 0.015 38.798 18.895 0.000 0.000 0.000 -15.482 2.290 -6.822 0.000 27.508 18.570 0.000 S_0019 19,25c19,25 < SCORE: -4.355 0.000 -72.498 0.000 0.635 0.023 16.342 39.687 0.000 -6.494 0.000 -5.514 3.507 -1.661 0.000 3.048 18.570 0.000 S_0007 < SCORE: -9.101 0.000 -64.241 0.000 0.907 0.027 9.787 34.185 0.000 -3.382 0.000 -5.916 3.133 -4.721 0.000 2.551 18.570 0.000 S_0008 < SCORE: -9.603 0.000 -55.270 0.000 -0.908 0.025 17.106 34.228 0.000 0.000 0.000 -13.425 0.370 -2.841 0.000 -7.458 18.570 0.000 S_0012 < SCORE: -34.913 0.000 -75.555 0.000 -3.278 0.022 6.935 43.245 0.000 0.000 0.000 -16.647 1.432 -6.178 0.000 -3.460 18.570 0.000 S_0014 < SCORE: -37.053 0.000 -78.343 0.000 -2.924 0.023 5.799 45.646 0.000 0.000 0.000 -17.243 1.122 -4.902 0.000 -4.801 18.570 0.000 S_0013 < SCORE: -37.372 0.000 -79.242 0.000 -2.555 0.023 5.583 45.607 0.000 0.000 0.000 -16.855 1.315 -4.903 0.000 -4.915 18.570 0.000 S_0011 < SCORE: -37.372 0.000 -79.238 0.000 -2.556 0.023 5.583 45.606 0.000 0.000 0.000 -16.857 1.313 -4.902 0.000 -4.913 18.570 0.000 S_0010 --- > SCORE: -4.235 0.000 -72.632 0.000 0.617 0.023 16.461 39.764 0.000 -6.482 0.000 -5.499 3.537 -1.649 0.000 3.055 18.570 0.000 S_0007 > SCORE: -8.484 0.000 -64.335 0.000 0.863 0.027 10.375 34.289 0.000 -3.471 0.000 -5.857 3.254 -4.674 0.000 2.475 18.570 0.000 S_0008 > SCORE: -9.603 0.000 -55.269 0.000 -0.907 0.025 17.101 34.228 0.000 0.000 0.000 -13.419 0.368 -2.841 0.000 -7.457 18.570 0.000 S_0012 > SCORE: -34.630 0.000 -75.788 0.000 -3.472 0.022 7.441 43.417 0.000 0.000 0.000 -16.626 1.429 -6.167 0.000 -3.455 18.570 0.000 S_0014 > SCORE: -37.054 0.000 -78.342 0.000 -2.923 0.023 5.798 45.646 0.000 0.000 0.000 -17.243 1.121 -4.902 0.000 -4.801 18.570 0.000 S_0013 > SCORE: -37.372 0.000 -79.243 0.000 -2.555 0.023 5.583 45.607 0.000 0.000 0.000 -16.855 1.315 -4.903 0.000 -4.915 18.570 0.000 S_0011 > SCORE: -37.372 0.000 -79.239 0.000 -2.556 0.023 5.583 45.606 0.000 0.000 0.000 -16.857 1.313 -4.902 0.000 -4.913 18.570 0.000 S_0010

linux.gcc.mpi.serialization.integration.mpi.helical_bundle_predict 「click to collapse/expand」

Brief Diff: Files /home/benchmark/working_dir/main:62109/helical_bundle_predict/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/helical_bundle_predict/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/helical_bundle_predict/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/helical_bundle_predict/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/helical_bundle_predict/output.silent and /home/benchmark/working_dir/commits:20505/helical_bundle_predict/output.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/helical_bundle_predict/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/helical_bundle_predict/mpi_log_0.filt 56,60c56,60 < 3 3 4.22965 -81.0015 0 0 3,2,1 < 3 2 7.18902 -49.3056 0 0 3,2,1 < 3 4 9.78586 -32.9629 0 0 3,2,1 < 3 1 8.63958 -27.0494 0 0 3,2,1 < 3 5 7.87751 8.92083 0 0 3,2,1 --- > 3 3 9.25713 -54.6262 0 0 3,2,1 > 3 2 8.79178 -53.0933 0 0 3,2,1 > 3 5 2.87132 -35.6097 0 0 3,2,1 > 3 4 8.41494 -28.5388 0 0 3,2,1 > 3 1 9.51562 -12.4295 0 0 3,2,1 63c63 < PNear: 8.3563e-32 --- > PNear: 2.15903e-23 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/helical_bundle_predict/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/helical_bundle_predict/mpi_log_3.filt 1629,1631c1629,1631 < protocols.relax.FastRelax: (3) CMD: min 480.13 4.92205 4.92205 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 480.13 4.92205 4.92205 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 2563.05 4.92205 4.92205 0.14575 --- > protocols.relax.FastRelax: (3) CMD: min 479.764 4.91952 4.91952 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 479.764 4.91952 4.91952 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 2561.94 4.91952 4.91952 0.14575 1635,1649c1635,1640 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 1621.05 < protocols.relax.FastRelax: (3) CMD: repack 1621.05 4.92205 4.92205 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1713.59 4.92205 4.92205 0.154 < protocols.relax.FastRelax: (3) CMD: min 50.8499 5.65077 5.65077 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 50.8499 5.65077 5.65077 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 119.489 5.65077 5.65077 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 717 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -0.781464 < protocols.relax.FastRelax: (3) CMD: repack -0.781459 5.65077 5.65077 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 0.0835115 5.65077 5.65077 0.31955 < protocols.relax.FastRelax: (3) CMD: min -13.9523 5.67758 5.67758 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -13.9523 5.67758 5.67758 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -1.93652 5.67758 5.67758 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 1617.76 > protocols.relax.FastRelax: (3) CMD: repack 1617.76 4.91952 4.91952 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1709.91 4.91952 4.91952 0.154 > protocols.relax.FastRelax: (3) CMD: min 2.19794 5.58116 5.58116 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 2.19794 5.58116 5.58116 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 31.4547 5.58116 5.58116 0.30745 1651,1689c1642 < core.pack.pack_rotamers: (3) built 701 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -2.69612 < protocols.relax.FastRelax: (3) CMD: repack -2.69612 5.67758 5.67758 0.55 < protocols.relax.FastRelax: (3) CMD: min -22.561 5.75926 5.75926 0.55 < protocols.relax.FastRelax: (3) MRP: 0 -22.561 -22.561 5.75926 5.75926 < protocols.relax.FastRelax: (3) CMD: accept_to_best -22.561 5.75926 5.75926 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -22.561 5.75926 5.75926 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -22.561 5.75926 5.75926 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -43.7773 5.75926 5.75926 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 723 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -47.8588 < protocols.relax.FastRelax: (3) CMD: repack -47.8587 5.75926 5.75926 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -47.3089 5.75926 5.75926 0.02805 < protocols.relax.FastRelax: (3) CMD: min -56.8145 5.98669 5.98669 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -56.8145 5.98669 5.98669 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -34.0768 5.98669 5.98669 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 687 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -36.2328 < protocols.relax.FastRelax: (3) CMD: repack -36.2328 5.98669 5.98669 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -34.9043 5.98669 5.98669 0.154 < protocols.relax.FastRelax: (3) CMD: min -43.8235 5.88471 5.88471 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -43.8235 5.88471 5.88471 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -32.8863 5.88471 5.88471 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 661 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -31.4637 < protocols.relax.FastRelax: (3) CMD: repack -31.4637 5.88471 5.88471 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -30.6523 5.88471 5.88471 0.31955 < protocols.relax.FastRelax: (3) CMD: min -31.7961 5.81757 5.81757 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -31.7961 5.81757 5.81757 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -20.5363 5.81757 5.81757 0.55 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 671 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 700 rotamers at 44 positions. 1691,1698c1644,1707 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -20.5416 < protocols.relax.FastRelax: (3) CMD: repack -20.5416 5.81757 5.81757 0.55 < protocols.relax.FastRelax: (3) CMD: min -27.0494 5.70729 5.70729 0.55 < protocols.relax.FastRelax: (3) MRP: 1 -27.0494 -27.0494 5.70729 5.70729 < protocols.relax.FastRelax: (3) CMD: accept_to_best -27.0494 5.70729 5.70729 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -27.0494 5.70729 5.70729 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -27.0494 5.70729 5.70729 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -46.586 5.70729 5.70729 0.022 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -9.15407 > protocols.relax.FastRelax: (3) CMD: repack -9.15408 5.58116 5.58116 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -8.20519 5.58116 5.58116 0.31955 > protocols.relax.FastRelax: (3) CMD: min -13.7358 5.60288 5.60288 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -13.7358 5.60288 5.60288 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -1.04228 5.60288 5.60288 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 676 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -1.02032 > protocols.relax.FastRelax: (3) CMD: repack -1.02031 5.60288 5.60288 0.55 > protocols.relax.FastRelax: (3) CMD: min -10.8864 5.68962 5.68962 0.55 > protocols.relax.FastRelax: (3) MRP: 0 -10.8864 -10.8864 5.68962 5.68962 > protocols.relax.FastRelax: (3) CMD: accept_to_best -10.8864 5.68962 5.68962 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -10.8864 5.68962 5.68962 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -10.8864 5.68962 5.68962 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -31.7361 5.68962 5.68962 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 694 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -34.5154 > protocols.relax.FastRelax: (3) CMD: repack -34.5154 5.68962 5.68962 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -33.8648 5.68962 5.68962 0.02805 > protocols.relax.FastRelax: (3) CMD: min -46.1063 5.8538 5.8538 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -46.1063 5.8538 5.8538 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -18.359 5.8538 5.8538 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 655 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -22.0272 > protocols.relax.FastRelax: (3) CMD: repack -22.0272 5.8538 5.8538 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -20.4768 5.8538 5.8538 0.154 > protocols.relax.FastRelax: (3) CMD: min -31.3309 5.73991 5.73991 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -31.3309 5.73991 5.73991 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -19.2399 5.73991 5.73991 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 645 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -19.3169 > protocols.relax.FastRelax: (3) CMD: repack -19.3169 5.73991 5.73991 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -18.3721 5.73991 5.73991 0.31955 > protocols.relax.FastRelax: (3) CMD: min -20.2149 5.71229 5.71229 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -20.2149 5.71229 5.71229 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -6.04571 5.71229 5.71229 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 632 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -6.05499 > protocols.relax.FastRelax: (3) CMD: repack -6.05503 5.71229 5.71229 0.55 > protocols.relax.FastRelax: (3) CMD: min -11.7606 5.69502 5.69502 0.55 > protocols.relax.FastRelax: (3) MRP: 1 -11.7606 -11.7606 5.69502 5.69502 > protocols.relax.FastRelax: (3) CMD: accept_to_best -11.7606 5.69502 5.69502 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -11.7606 5.69502 5.69502 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -11.7606 5.69502 5.69502 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -32.6323 5.69502 5.69502 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 690 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -35.1496 > protocols.relax.FastRelax: (3) CMD: repack -35.1496 5.69502 5.69502 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -34.524 5.69502 5.69502 0.02805 > protocols.relax.FastRelax: (3) CMD: min -46.1171 5.85604 5.85604 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -46.1171 5.85604 5.85604 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -19.4133 5.85604 5.85604 0.14575 1700c1709 < core.pack.pack_rotamers: (3) built 709 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 651 rotamers at 44 positions. 1702,1725c1711,1716 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -49.4947 < protocols.relax.FastRelax: (3) CMD: repack -49.4947 5.70729 5.70729 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -48.4934 5.70729 5.70729 0.02805 < protocols.relax.FastRelax: (3) CMD: min -49.5045 5.72225 5.72225 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -49.5045 5.72225 5.72225 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -29.8432 5.72225 5.72225 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 681 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -42.4677 < protocols.relax.FastRelax: (3) CMD: repack -42.4678 5.72225 5.72225 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -42.052 5.72225 5.72225 0.154 < protocols.relax.FastRelax: (3) CMD: min -42.5927 5.73991 5.73991 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -42.5927 5.73991 5.73991 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -34.9938 5.73991 5.73991 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 659 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -34.9938 < protocols.relax.FastRelax: (3) CMD: repack -34.9938 5.73991 5.73991 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -34.3946 5.73991 5.73991 0.31955 < protocols.relax.FastRelax: (3) CMD: min -34.4762 5.75223 5.75223 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -34.4762 5.75223 5.75223 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -23.3912 5.75223 5.75223 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -22.5381 > protocols.relax.FastRelax: (3) CMD: repack -22.5381 5.85604 5.85604 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -21.028 5.85604 5.85604 0.154 > protocols.relax.FastRelax: (3) CMD: min -31.0255 5.72895 5.72895 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -31.0255 5.72895 5.72895 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -18.5845 5.72895 5.72895 0.30745 1727c1718 < core.pack.pack_rotamers: (3) built 633 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 640 rotamers at 44 positions. 1729,1734c1720,1734 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -24.2439 < protocols.relax.FastRelax: (3) CMD: repack -24.2439 5.75223 5.75223 0.55 < protocols.relax.FastRelax: (3) CMD: min -27.0471 5.71147 5.71147 0.55 < protocols.relax.FastRelax: (3) MRP: 2 -27.0471 -27.0494 5.70729 5.70729 < protocols.relax.FastRelax: (3) CMD: accept_to_best -27.0471 5.71147 5.71147 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -27.0471 5.71147 5.71147 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -18.8038 > protocols.relax.FastRelax: (3) CMD: repack -18.8037 5.72895 5.72895 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -17.854 5.72895 5.72895 0.31955 > protocols.relax.FastRelax: (3) CMD: min -19.4716 5.69318 5.69318 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -19.4716 5.69318 5.69318 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -4.46412 5.69318 5.69318 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 622 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -2.58004 > protocols.relax.FastRelax: (3) CMD: repack -2.58001 5.69318 5.69318 0.55 > protocols.relax.FastRelax: (3) CMD: min -12.4295 5.67862 5.67862 0.55 > protocols.relax.FastRelax: (3) MRP: 2 -12.4295 -12.4295 5.67862 5.67862 > protocols.relax.FastRelax: (3) CMD: accept_to_best -12.4295 5.67862 5.67862 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -12.4295 5.67862 5.67862 0.55 1781c1781 < protocols.helical_bundle_predict.HelicalBundlePredictApplication: (3) Energy is -27.0494; RMSD to native is 8.63958. --- > protocols.helical_bundle_predict.HelicalBundlePredictApplication: (3) Energy is -12.4295; RMSD to native is 9.51562. 1784c1784,1785 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH------------------------------- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 1788c1789,1790 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH------------------------------- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 1792c1794,1795 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH------------------------------- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 1796c1799,1800 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH------------------------------- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 1800c1804 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------------HHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH------------------------------- 1805c1809 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------------HHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH------------HHHH--------------- 1810c1814 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------HHHH--------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH------------HHHH--------------- 1812d1815 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1816c1819 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------------HHHH-----HHHH--------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH------------HHHH--------------- 1821c1824 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------------HHHH-----HHHH--------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH------------HHHH--------------- 1826c1829 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------------HHHH-----HHHH--------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH------------HHHH---HHHH-------- 1831c1834 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------------HHHH-----HHHH--------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH------------HHHH---HHHH-------- 1836c1839 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------------HHHHH----HHHH--------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH--HHHHH------------HHHHH--HHHH-HHHH--- 1841c1844 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------------HHHHH----HHHHHHHH----- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH--HHHHH------------HHHHH--HHHH-HHHH--- 1846c1849 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------------HHHHH----HHHHHHHH----- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH--HHHHH------------HHHHH--HHHH-------- 1847a1851 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1851c1855 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------------HHHHH----HHHHHHHH----- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH--HHHHH------------HHHHH--HHHH-------- 1856c1860 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------------HHHHH----HHHHHHHH----- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH-HHHHH------------HHHHH--HHHH-------- 1861c1865 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------HHHHHHHH-----HHHHHHHH----- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH--HHHHH------------HHHHH--HHHH-------- 1863d1866 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1867c1870 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------HHHHHHHH-----HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH--HHHHH-------------HHHH--HHHHH------- 1873c1876 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------HHHHHHHH-----HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH-------------HHHH--HHHHH------- 1874a1878 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1878c1882 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------HHHHHHHH-----HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH-------------HHHH--HHHHH------- 1883c1887 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------HHHHHHHH-----HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-------------HHHH--HHHHH------- 1888c1892 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHH--------HHHHHHHH-----HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------------HHHH--HHHHH------- 1889a1894 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1893c1898 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHH-------HHHHHHHHH-----HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------------HHHH--HHHHH------- 1898c1903 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHH-------HHHHHHHH------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------------HHHH--HHHHH------- 1900d1904 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1904c1908 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHH------HHHHHHHHH------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------------HHHH--HHHHH------- 1909c1913 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHH------HHHHHHHHH------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------------HHHH--HHHHH------- 1914c1918 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHH------HHHHHHHHH------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------------HHHH--HHHHH------- 1919c1923 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHH------HHHHHHHHH------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH--------------HHHH--HHHHH------- 1924c1928 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHHHHH------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH--------------HHHH--HHHHH------- 1926d1929 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1930c1933 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHH------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH-----HHHH-----HHHH--HHHHH------- 1932d1934 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1936c1938 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHH-------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH----HHHHH-----HHHH--HHHH-------- 1942c1944 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHH-------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH----HHHHHH----HHHH--HHHH-------- 1947c1949 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHH-------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHH----------------------- 1948a1951 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1952c1955 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHH-------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH----HHHHH-----HHHH--HHHH---HHHH- 1957c1960 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHH-------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH----HHHHH-----HHHH--HHHH-------- 1962c1965 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHH-------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH----HHHH------HHHH--HHHH-------- 1963a1967 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1967c1971 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH----HHHHH-----HHHH--HHHH-------- 1972c1976 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH----HHHHH-----HHHH--HHHH-------- 1977c1981 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH----HHHH------HHHH-------------- 1978a1983 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1982c1987 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH----HHHHH-----HHHH--HHHH-------- 1987c1992 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH----HHHH------HHHH--HHHH-------- 1988a1994 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1992c1998 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHH-----HHHH-HHHHH-------- 1993a2000 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 1997c2004 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH-HHHH---HHHHHHHH-HHHHH-HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHH-----HHHH-HHHHH-------- 2002c2009 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHH----------HHHHH-------- 2003a2011 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2007c2015 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHH--HHHH----HHHHH-------- 2012c2020 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHH--HHHH----HHHHHHHHH---- 2017c2025 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHH----------HHHHHHHHH---- 2018a2027 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2022c2031 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHHH-HHHH----HHHHHHHHH---- 2027c2036 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHH--HHHH----HHHHHHHHH---- 2032c2041 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHH--HHHH----HHHHHHHHH---- 2037c2046 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHH-HHHHH----HHHHHHHHH---- 2042c2051 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH----HHHHHHH-------HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHH--HHHH----HHHHHHHHH---- 2044d2052 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2048c2056 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH------ --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHH---HHHH----HHHHHHHHH---- 2049a2058 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2053c2062 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHH--HHHHH----HHHHHHHHH---- 2058c2067 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHH---HHHH----HHHHHHHHH---- 2063c2072 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHH---HHHH----HHHHHHHHHH--- 2068c2077 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH---HHHHH--HHHH----HHHHHHHHH---- 2073c2082 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH-HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHH---HHHH----HHHHHHHHH---- 2078c2087 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHH---HHHH----HHHHHHHHH---- 2083c2092 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH-----------HHHH----HHHHHHHHH---- 2084a2094 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2088c2098 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHH---HHHHH---HHHHHHHHH---- 2093c2103 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-------HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2095d2104 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2099c2108 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH--HHHHH----HHHHHHHHH---- 2104c2113 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2109c2118 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2114c2123 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHHH---HHHHHHHHH---- 2119c2128 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHH---HHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHH--HHHHHH--HHHHHHHHH---- 2121d2129 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2125c2133 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2130c2138 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHHH-HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2135c2143 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHHH-HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHH-----------HHHHHHHHH---- 2136a2145 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2140c2149 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2141a2151 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2145c2155 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHHH---HHHHHHHHH---- 2150c2160 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHH-HHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2152d2161 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2156c2165 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----------HHHHH---HHHHHHHHH---- 2157a2167 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2161c2171 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHHH-HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2166c2176 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHH-HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH-HHHHHH----HHHHHHHHH---- 2171c2181 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHH---HHHH----HHHHHHHHH---- 2176c2186 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH--HHHHH----HHHHHHHHH---- 2181c2191 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHH---HHHH----HHHHHHHHH---- 2186c2196 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2191c2201 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2196c2206 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH--HHHHH----HHHHHHHHH---- 2201c2211 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2203d2212 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2207c2216 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHH---HHHH----HHHHHHHHH---- 2209d2217 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2213c2221 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2218c2226 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2223c2231 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2224a2233 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2228c2237 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2229a2239 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2233c2243 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2238c2248 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHHHH--HHHHHHHHH---- 2243c2253 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2245d2254 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2249c2258 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2254c2263 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----------HHHH----HHHHHHHH----- 2255a2265 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2259c2269 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHH---HHHH-----HHHHHHHH---- 2260a2271 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2264c2275 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHH--HHHH----HHHHHHHHH---- 2269c2280 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2274c2285 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2279c2290 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2284c2295 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2289c2300 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH-HHHHHH----HHHHHHHHH---- 2294c2305 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH-----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHH----- 2300c2311 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH-----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH--HHHHH----HHHHHHHHH---- 2305c2316 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2310c2321 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2312d2322 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2316c2326 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2321c2331 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2326c2336 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH---HHHH----HHHHHHHHH---- 2331c2341 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH-----------HHHHHHHHH---- 2332a2343 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2336c2347 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH------HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH-----------HHHHHHHHH---- 2338d2348 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2342c2352 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH------HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH-----------HHHHHHHHH---- 2347c2357 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH------HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHH----------HHHHHHHHH---- 2352c2362 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH------HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHH----------HHHHHHHHH---- 2357c2367 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH------HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHH----------HHHHHHHHH---- 2362c2372 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH------HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHH----------HHHHHHHHH---- 2367c2377 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH------HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHH----------HHHHHHHHH---- 2372c2382 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHH----------HHHHHHHHH---- 2377c2387 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHH----------HHHHHHHHH---- 2379d2388 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2383c2392 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHH----------HHHHHHHHH---- 2388c2397 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHH-----HHHH-HHHHHHHHH---- 2393c2402 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHH-----HHHHH-HHHHHHHHH---- 2394a2404 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2398c2408 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-------------HHHH-HHHHHHHHH---- 2399a2410 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2403c2414 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-------------HHHH-HHHHHHHHH---- 2408c2419 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-------------HHHH-HHHHHHHHH---- 2413c2424 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-------------HHHH-HHHHHHHHH---- 2418c2429 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-------------HHHH-HHHHHHHHH---- 2423c2434 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-------------HHHH-HHHHHHHHH---- 2428c2439 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH-HHHHHHHHH---- 2433c2444 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH-HHHHHHHHH---- 2438c2449 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH-HHHHHHHHH---- 2443c2454 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH-HHHHHHHHH---- 2448c2459 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH-HHHHHHHHH---- 2450d2460 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2454c2464 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH-HHHHHHHHH---- 2459c2469 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH-HHHHHHHHH---- 2464c2474 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH-HHHHHHHHH---- 2469c2479 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH-HHHHHHHHH---- 2474c2484 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH-HHHHHHHHH---- 2479c2489 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH-HHHHHHHHH---- 2484c2494 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH-----HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHH---HHHHHH-HHHHHHHHH---- 2486d2495 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2490c2499 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH-----HHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHH---HHHHHH-HHHHHHHHH---- 2495c2504 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHH---HHHHHH-HHHHHHHHH---- 2497d2505 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2501c2509 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH-----HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHH---HHHHHH-HHHHHHHHH---- 2506c2514 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2507a2516 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2511c2520 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2512a2522 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2516c2526 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2521c2531 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2526c2536 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHH-----HHHH----HHHH--HHHHHHHHH---- 2527a2538 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2531c2542 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2533d2543 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2537c2547 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2542c2552 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2547c2557 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2552c2562 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHH----- 2553a2564 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2557c2568 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2559d2569 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2563c2573 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2568c2578 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2573c2583 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH---HHHHHH-HHHHHHHHH---- 2578c2588 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHH----HHHHH-HHHHHHHHH---- 2583c2593 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2588c2598 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHH----HHHHH-HHHHHHHHH---- 2593c2603 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2595d2604 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2599c2608 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2604c2613 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHHH--- 2609c2618 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2614c2623 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHH---HHHHH-HHHHHHHHH---- 2616d2624 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2620c2628 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2625c2633 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH-----HHHH----HHHHH--HHHHHHHH---- 2626a2635 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2630c2639 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH--HHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2635c2644 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2640c2649 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH--HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2645c2654 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2650c2659 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2652d2660 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2656c2664 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------------HHHHH-HHHHHHHHH---- 2657a2666 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2661c2670 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHH----HHHHH-HHHHHHHHH---- 2666c2675 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH--HHHHHHHH---- 2667a2677 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2671c2681 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2676c2686 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2681c2691 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2686c2696 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2691c2701 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2696c2706 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2701c2711 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2706c2716 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2711c2721 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2716c2726 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2721c2731 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2726c2736 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH--HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2731c2741 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2736c2746 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2741c2751 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2746c2756 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2751c2761 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHH--HHHHHHHHH---- 2752a2763 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2756c2767 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2761c2772 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2766c2777 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2771c2782 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHH---HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHH---HHHHH-HHHHHHHHH---- 2777c2788 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2782c2793 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2784d2794 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2788c2798 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2793c2803 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2798c2808 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHH---- 2803c2813 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHH----HHHHH-HHHHHHHHHH--- 2808c2818 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHH-HHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------------HHHHH-HHHHHHHHH---- 2814c2824 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------------HHHHH-HHHHHHHHH---- 2815a2826 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2819c2830 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------------HHHHH-HHHHHHHHH---- 2824c2835 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------------HHHHH-HHHHHHHHH---- 2829c2840 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-------------HHHH-HHHHHHHHH---- 2830a2842 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2834c2846 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------HHHH---HHHH-HHHHHHHHH---- 2839c2851 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHH----HHHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------HHHH---HHHH-HHHHHHHHH---- 2841d2852 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2845c2856 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHH----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------HHHH---HHHH-HHHHHHHHH---- 2847d2857 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2851c2861 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHH----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------HHHH---HHHH-HHHHHHHHH---- 2856c2866 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH---HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------HHHH---HHHH-HHHHHHHHH---- 2861c2871 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHH----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------HHHH---HHHH-HHHHHHHHH---- 2866c2876 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHH-----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH---HHHH-HHHHHHHHH---- 2868d2877 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2872c2881 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH---HHHH-HHHHHHHHH---- 2877c2886 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH---HHHH-HHHHHHHHH---- 2882c2891 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH---HHHH-HHHHHHHHH---- 2887c2896 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH---HHHH-HHHHHHHHH---- 2892c2901 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH---HHHH-HHHHHHHHH---- 2897c2906 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH---HHHH-HHHHHHHHH---- 2902c2911 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH---HHHH-HHHHHHHHH---- 2907c2916 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH---HHHH-HHHHHHHHH---- 2912c2921 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHHH---HHHH-HHHHHHHHH---- 2913a2923 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2917c2927 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHH----HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH---HHHH-HHHHHHHHH---- 2919d2928 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2923c2932 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH---HHHH-HHHHHHHHH---- 2928c2937 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHH--HHHH-HHHHHHHHH---- 2933c2942 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHH--HHHH-HHHHHHHHHH--- 2938c2947 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHH--HHHH-HHHHHHHHHH--- 2943c2952 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHH--HHHH-HHHHHHHHHH--- 2948c2957 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHH--HHHH-HHHHHHHHHH--- 2953c2962 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH-HHHH-HHHHHHHHHH--- 2958c2967 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH-HHHH-HHHHHHHHHH--- 2963c2972 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH-HHHH-HHHHHHHHHH--- 2968c2977 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHHHHH------HHHHHHHHHH--- 2969a2979 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2973c2983 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHHHHH------HHHHHHHHHH--- 2978c2988 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHHHHHH-----HHHHHHHHHH--- 2983c2993 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHHHHH------HHHHHHHHHH--- 2988c2998 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- 2993c3003 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- 2995d3004 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 2999c3008 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- 3004c3013 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- 3009c3018 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- 3014c3023 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- 3019c3028 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- 3024c3033 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- 3026d3034 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3030c3038 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- 3035c3043 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- 3040c3048 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- 3045c3053 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- 3050c3058 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHH------HHHHHHHHHHH-- 3051a3060 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3055c3064 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3060c3069 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3065c3074 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3070c3079 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3075c3084 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3080c3089 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3081a3091 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3085c3095 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3090c3100 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3095c3105 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3100c3110 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3105c3115 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3110c3120 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3112d3121 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3116c3125 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH-------HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3118d3126 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3122c3130 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3127c3135 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3132c3140 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3137c3145 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3142c3150 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3147c3155 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3152c3160 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3157c3165 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3159d3166 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3163c3170 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHH-------HHHHHHHHHHH-- 3164a3172 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3168c3176 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3173c3181 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3178c3186 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3183c3191 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3188c3196 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3193c3201 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3198c3206 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHHH- 3203c3211 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3205d3212 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3209c3216 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3214c3221 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3219c3226 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3224c3231 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3229c3236 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3234c3241 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3239c3246 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-------HHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3241d3247 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3245c3251 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3250c3256 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHH-------HHHHHHHHHHH-- 3251a3258 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3255c3262 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3260c3267 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3265c3272 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3270c3277 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3275c3282 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3280c3287 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3285c3292 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHH------HHHHHHHHHHH-- 3291c3298 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHH-------HHHHHHHHHHH-- 3292a3300 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3296c3304 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3301c3309 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3306c3314 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3311c3319 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3316c3324 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHH------HHHHHHHHHHH-- 3324c3332 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 2955.12 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 5298.83 3327c3335 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 4095.27 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 6316 3330c3338 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 2645.1 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 821.859 3332,3390c3340,3342 < protocols.relax.FastRelax: (3) CMD: repeat 27445.2 0 0 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 27445.2 0 0 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 5184.09 0 0 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 699 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 2325.98 < protocols.relax.FastRelax: (3) CMD: repack 2325.98 0 0 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 2328.2 0 0 0.02805 < protocols.relax.FastRelax: (3) CMD: min 326.569 5.98655 5.98655 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 326.569 5.98655 5.98655 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 2016.25 5.98655 5.98655 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 664 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 844.848 < protocols.relax.FastRelax: (3) CMD: repack 844.848 5.98655 5.98655 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 896.256 5.98655 5.98655 0.154 < protocols.relax.FastRelax: (3) CMD: min -39.6543 5.50719 5.50719 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -39.6543 5.50719 5.50719 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -28.0373 5.50719 5.50719 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 691 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -30.8114 < protocols.relax.FastRelax: (3) CMD: repack -30.8114 5.50719 5.50719 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -29.9019 5.50719 5.50719 0.31955 < protocols.relax.FastRelax: (3) CMD: min -38.392 5.73779 5.73779 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -38.392 5.73779 5.73779 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -26.652 5.73779 5.73779 0.55 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 668 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -27.9899 < protocols.relax.FastRelax: (3) CMD: repack -27.9899 5.73779 5.73779 0.55 < protocols.relax.FastRelax: (3) CMD: min -46.3148 5.80981 5.80981 0.55 < protocols.relax.FastRelax: (3) MRP: 0 -46.3148 -46.3148 5.80981 5.80981 < protocols.relax.FastRelax: (3) CMD: accept_to_best -46.3148 5.80981 5.80981 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -46.3148 5.80981 5.80981 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -46.3148 5.80981 5.80981 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -66.2794 5.80981 5.80981 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 777 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -72.6643 < protocols.relax.FastRelax: (3) CMD: repack -72.6643 5.80981 5.80981 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -71.8788 5.80981 5.80981 0.02805 < protocols.relax.FastRelax: (3) CMD: min -79.9846 5.86839 5.86839 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -79.9846 5.86839 5.86839 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -55.5182 5.86839 5.86839 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 726 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -58.8976 < protocols.relax.FastRelax: (3) CMD: repack -58.8976 5.86839 5.86839 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -57.6312 5.86839 5.86839 0.154 < protocols.relax.FastRelax: (3) CMD: min -66.0702 5.80986 5.80986 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -66.0702 5.80986 5.80986 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -55.3311 5.80986 5.80986 0.30745 --- > protocols.relax.FastRelax: (3) CMD: repeat 24213 0 0 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 24213 0 0 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 3116.47 0 0 0.022 3392,3401c3344 < core.pack.pack_rotamers: (3) built 709 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -55.3311 < protocols.relax.FastRelax: (3) CMD: repack -55.3311 5.80986 5.80986 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -54.4842 5.80986 5.80986 0.31955 < protocols.relax.FastRelax: (3) CMD: min -55.9323 5.77945 5.77945 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -55.9323 5.77945 5.77945 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -43.1302 5.77945 5.77945 0.55 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 701 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 696 rotamers at 44 positions. 3403,3419c3346,3389 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -43.1336 < protocols.relax.FastRelax: (3) CMD: repack -43.1336 5.77945 5.77945 0.55 < protocols.relax.FastRelax: (3) CMD: min -49.3056 5.74066 5.74066 0.55 < protocols.relax.FastRelax: (3) MRP: 1 -49.3056 -49.3056 5.74066 5.74066 < protocols.relax.FastRelax: (3) CMD: accept_to_best -49.3056 5.74066 5.74066 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -49.3056 5.74066 5.74066 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -49.3056 5.74066 5.74066 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -69.9199 5.74066 5.74066 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 750 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -73.8477 < protocols.relax.FastRelax: (3) CMD: repack -73.8477 5.74066 5.74066 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -73.1631 5.74066 5.74066 0.02805 < protocols.relax.FastRelax: (3) CMD: min -84.4831 5.85247 5.85247 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -84.4831 5.85247 5.85247 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -56.4018 5.85247 5.85247 0.14575 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 703.655 > protocols.relax.FastRelax: (3) CMD: repack 703.655 0 0 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 713.77 0 0 0.02805 > protocols.relax.FastRelax: (3) CMD: min -53.7126 3.64188 3.64188 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -53.7126 3.64188 3.64188 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -12.4763 3.64188 3.64188 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 697 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -23.5924 > protocols.relax.FastRelax: (3) CMD: repack -23.5924 3.64188 3.64188 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -21.2068 3.64188 3.64188 0.154 > protocols.relax.FastRelax: (3) CMD: min -53.5981 3.78396 3.78396 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -53.5981 3.78396 3.78396 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -39.5082 3.78396 3.78396 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 658 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -41.4103 > protocols.relax.FastRelax: (3) CMD: repack -41.4103 3.78396 3.78396 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -40.2644 3.78396 3.78396 0.31955 > protocols.relax.FastRelax: (3) CMD: min -45.5654 3.83766 3.83766 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -45.5654 3.83766 3.83766 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -30.0418 3.83766 3.83766 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 648 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -30.1523 > protocols.relax.FastRelax: (3) CMD: repack -30.1523 3.83766 3.83766 0.55 > protocols.relax.FastRelax: (3) CMD: min -45.9569 3.90844 3.90844 0.55 > protocols.relax.FastRelax: (3) MRP: 0 -45.9569 -45.9569 3.90844 3.90844 > protocols.relax.FastRelax: (3) CMD: accept_to_best -45.9569 3.90844 3.90844 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -45.9569 3.90844 3.90844 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -45.9569 3.90844 3.90844 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -67.5853 3.90844 3.90844 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 728 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -70.1267 > protocols.relax.FastRelax: (3) CMD: repack -70.1268 3.90844 3.90844 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -69.2679 3.90844 3.90844 0.02805 > protocols.relax.FastRelax: (3) CMD: min -82.4591 3.78463 3.78463 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -82.4591 3.78463 3.78463 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -55.3671 3.78463 3.78463 0.14575 3421c3391 < core.pack.pack_rotamers: (3) built 714 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 687 rotamers at 44 positions. 3423,3428c3393,3398 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -57.4657 < protocols.relax.FastRelax: (3) CMD: repack -57.4657 5.85247 5.85247 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -55.9102 5.85247 5.85247 0.154 < protocols.relax.FastRelax: (3) CMD: min -66.9026 5.78376 5.78376 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -66.9026 5.78376 5.78376 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -55.4767 5.78376 5.78376 0.30745 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -59.2565 > protocols.relax.FastRelax: (3) CMD: repack -59.2565 3.78463 3.78463 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -57.9402 3.78463 3.78463 0.154 > protocols.relax.FastRelax: (3) CMD: min -66.2695 3.85119 3.85119 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -66.2695 3.85119 3.85119 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -54.3512 3.85119 3.85119 0.30745 3430c3400 < core.pack.pack_rotamers: (3) built 700 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 656 rotamers at 44 positions. 3432,3437c3402,3445 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -55.4767 < protocols.relax.FastRelax: (3) CMD: repack -55.4767 5.78376 5.78376 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -54.5758 5.78376 5.78376 0.31955 < protocols.relax.FastRelax: (3) CMD: min -56.2483 5.77843 5.77843 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -56.2483 5.77843 5.77843 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -42.7235 5.77843 5.77843 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -54.3795 > protocols.relax.FastRelax: (3) CMD: repack -54.3795 3.85119 3.85119 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -53.4398 3.85119 3.85119 0.31955 > protocols.relax.FastRelax: (3) CMD: min -53.5404 3.85114 3.85114 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -53.5404 3.85114 3.85114 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -35.8528 3.85114 3.85114 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 648 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -37.0829 > protocols.relax.FastRelax: (3) CMD: repack -37.0828 3.85114 3.85114 0.55 > protocols.relax.FastRelax: (3) CMD: min -50.7925 3.95582 3.95582 0.55 > protocols.relax.FastRelax: (3) MRP: 1 -50.7925 -50.7925 3.95582 3.95582 > protocols.relax.FastRelax: (3) CMD: accept_to_best -50.7925 3.95582 3.95582 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -50.7925 3.95582 3.95582 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -50.7925 3.95582 3.95582 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -70.7826 3.95582 3.95582 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 733 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -71.8328 > protocols.relax.FastRelax: (3) CMD: repack -71.8327 3.95582 3.95582 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -70.7786 3.95582 3.95582 0.02805 > protocols.relax.FastRelax: (3) CMD: min -83.7227 3.93051 3.93051 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -83.7227 3.93051 3.93051 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -61.8445 3.93051 3.93051 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 711 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -62.1913 > protocols.relax.FastRelax: (3) CMD: repack -62.1913 3.93051 3.93051 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -60.8399 3.93051 3.93051 0.154 > protocols.relax.FastRelax: (3) CMD: min -70.9702 3.93283 3.93283 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -70.9702 3.93283 3.93283 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -60.4432 3.93283 3.93283 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 645 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -60.4877 > protocols.relax.FastRelax: (3) CMD: repack -60.4877 3.93283 3.93283 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -59.6578 3.93283 3.93283 0.31955 > protocols.relax.FastRelax: (3) CMD: min -60.0036 3.93392 3.93392 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -60.0036 3.93392 3.93392 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -44.8503 3.93392 3.93392 0.55 3439c3447 < core.pack.pack_rotamers: (3) built 696 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 633 rotamers at 44 positions. 3441,3446c3449,3454 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -42.7301 < protocols.relax.FastRelax: (3) CMD: repack -42.7301 5.77843 5.77843 0.55 < protocols.relax.FastRelax: (3) CMD: min -44.826 5.76373 5.76373 0.55 < protocols.relax.FastRelax: (3) MRP: 2 -44.826 -49.3056 5.74066 5.74066 < protocols.relax.FastRelax: (3) CMD: accept_to_best -44.826 5.76373 5.76373 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -44.826 5.76373 5.76373 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -44.8749 > protocols.relax.FastRelax: (3) CMD: repack -44.8749 3.93392 3.93392 0.55 > protocols.relax.FastRelax: (3) CMD: min -53.0933 3.96284 3.96284 0.55 > protocols.relax.FastRelax: (3) MRP: 2 -53.0933 -53.0933 3.96284 3.96284 > protocols.relax.FastRelax: (3) CMD: accept_to_best -53.0933 3.96284 3.96284 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -53.0933 3.96284 3.96284 0.55 3493c3501 < protocols.helical_bundle_predict.HelicalBundlePredictApplication: (3) Energy is -49.3056; RMSD to native is 7.18902. --- > protocols.helical_bundle_predict.HelicalBundlePredictApplication: (3) Energy is -53.0933; RMSD to native is 8.79178. 3496,3497c3504 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHH-------------------- < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- 3501,3502c3508 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHH-------------------- < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- 3506,3507c3512 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHHH------------------- < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- 3511,3512c3516 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHHH------------------- < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- 3516,3517c3520 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHHH------HHHH--------- < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- 3521,3522c3524 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHHH------HHHHH-------- < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- 3526,3527c3528 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHHH------HHHHH-------- < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- 3531c3532 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHHH------HHHHH-------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------------------------HHHH---- 3536c3537 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHHHH-----HHHHH-------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------------------------HHHH---- 3541c3542 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHHHH-----HHHHH-------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------------------------HHHH---- 3546c3547 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHHHH-----HHHHH-------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------------------------HHHH---- 3551c3552 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHHHH-----HHHHH-------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------------------------HHHH---- 3556c3557 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------HHHHHH-----HHHHH-------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------------------------HHHH---- 3561c3562 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------HHHHHHH-----HHHHH---HHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------------------------HHHH---- 3566c3567 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHH-------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------------------------HHHH---- 3571c3572 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHH-------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------------------------------------HHHH---- 3576c3577 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------------------------------HHHHHHH---- 3581c3582 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------------------------------HHHHHHH---- 3586c3587 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------------------------------HHHHHHH---- 3591c3592 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------------------------------HHHHHHH---- 3596c3597 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------------------------------HHHHHHH---- 3601c3602 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------------------------------HHHHHHH---- 3606c3607 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH--------------------HHHHHHH---- 3611c3612 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH--------------------HHHHHHH---- 3616c3617 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH---------HHHH-------HHHHHHH---- 3621c3622 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH---------HHHH-------HHHHHHH---- 3626c3627 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH--------HHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH---------HHHH-------HHHHHHH---- 3631c3632 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH----HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH--------HHHHH-------HHHHHHH---- 3636c3637 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH--------HHHHH-------HHHHHHH---- 3637a3639 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3641c3643 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH--------HHHHH-------HHHHHHH---- 3646c3648 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-------HHHHHH-------HHHHHHH---- 3651c3653 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-------HHHHHH-------HHHHHHH---- 3656c3658 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-------HHHHHH-------HHHHHHH---- 3661c3663 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-------HHHHHH------HHHHHHHH---- 3666c3668 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------HHHHHHH------HHHHHHHH---- 3671c3673 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------HHHHHHH------HHHHHHHH---- 3676c3678 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------HHHHHHH------HHHHHHHH---- 3681c3683 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------HHHHHHH------HHHHHHHH---- 3686c3688 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH------HHHHHHH------HHHHHHHH---- 3691c3693 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHH------HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH------HHHHHHH-----HHHHHHHHH---- 3693d3694 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3697c3698 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH------HHHHHHHHHHH-HHHHHHHHH---- 3702c3703 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHHHHHHHHHH-HHHHHHHHH---- 3707c3708 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-------HHHHHHHHHH-HHHHHHHHH---- 3708a3710 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3712c3714 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-------HHHHHHHHHH-HHHHHHHHH---- 3717c3719 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-------HHHHHHHHHH-HHHHHHHHH---- 3722c3724 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-------HHHHHHHHHH-HHHHHHHHH---- 3727c3729 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-------HHHHHHHHHH-HHHHHHHHH---- 3732c3734 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-------HHHHHHHHHH-HHHHHHHHH---- 3737c3739 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH------HHHHHHHHHHH-HHHHHHHHH---- 3742c3744 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH------HHHHHHHHHH--HHHHHHHH----- 3748c3750 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH------HHHHHHHHHH--HHHHHHHH----- 3753c3755 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH------HHHHHHHHHH--HHHHHHHH----- 3758c3760 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHHHHHHHHH--HHHHHHHH----- 3763c3765 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHHHHHHHHH--HHHHHHHH----- 3768c3770 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHHHHHHHHH--HHHHHHHH----- 3773c3775 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHHHHHHHHH--HHHHHHHH----- 3778c3780 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHHH--HHHHHHHH----- 3779a3782 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3783c3786 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHHH--HHHHHHHH----- 3788c3791 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHH----- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHHH--HHHHHHHH----- 3790d3792 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3794c3796 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHHH--HHHHHHHH----- 3796d3797 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3800c3801 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHH--HHHHHHHH----- 3805c3806 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHH--HHHHHHHH----- 3810c3811 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3812d3812 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3816c3816 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHH---- 3821c3821 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3826c3826 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3831c3831 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3836c3836 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3841c3841 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3846c3846 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3851c3851 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3856c3856 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3858d3857 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3862c3861 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3863a3863 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3867c3867 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3872c3872 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3877c3877 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3882c3882 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3883a3884 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3887c3888 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3892c3893 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3897c3898 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3902c3903 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3907c3908 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3909d3909 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3913c3913 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3915d3914 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3919c3918 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3924c3923 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3929c3928 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3934c3933 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3939c3938 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3944c3943 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHH----- 3949c3948 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3954c3953 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3959c3958 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3961d3959 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 3965c3963 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3970c3968 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3975c3973 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHHH-HHHHHHHH----- 3980c3978 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3985c3983 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 3990c3988 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHHH---- 3995c3993 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 4000c3998 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 4005c4003 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 4010c4008 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 4015c4013 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 4020c4018 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 4025c4023 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 4030c4028 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHH----- 4035c4033 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHH----- 4036a4035 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4040c4039 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHH----- 4045c4044 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH-----HHHHHHHHHHHH--HHHHHHHH----- 4050c4049 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHHH---HHHHHHHH----- 4051a4051 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4055c4055 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHHH---HHHHHHHH----- 4060c4060 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHH---HHHHHHHH----- 4061a4062 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4065c4066 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH-------HHHHHHHHHHH---HHHHHHHH----- 4066a4068 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4070c4072 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH-------HHHHHHHHHHH----HHHHHHHH----- 4071a4074 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4075c4078 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHH----- 4076a4080 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4080c4084 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHH----- 4085c4089 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHH----- 4090c4094 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHH------HHHHHHHHHHH----HHHHHHHH----- 4095c4099 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHH------HHHHHHHHHHH----HHHHHHHH----- 4100c4104 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHH----- 4101a4106 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4105c4110 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHH----- 4110c4115 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4115c4120 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4120c4125 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4125c4130 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4127d4131 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4131c4135 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4136c4140 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4141c4145 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4143d4146 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4147c4150 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH-----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4149d4151 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4153c4155 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4158c4160 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4163c4165 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4168c4170 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4173c4175 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHH---- 4178c4180 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHH----- 4179a4182 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4183c4186 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHH----- 4188c4191 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHHH---HHHHHHHH----- 4193c4196 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHHHHH- 4194a4198 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4198c4202 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHHHHH- 4203c4207 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHHHHH- 4208c4212 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHHHHH- 4213c4217 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHHHHH- 4218c4222 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHH----HHHHHHHHHHHH- 4223c4227 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHHH---HHHHHHHHHHHH- 4228c4232 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4229a4234 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4233c4238 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4238c4243 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHH--- 4239a4245 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4243c4249 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHH--- 4248c4254 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHHH---HHHHHHHHHH--- 4253c4259 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHH--- 4255d4260 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4259c4264 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHH--- 4264c4269 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHH--- 4269c4274 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHH--- 4274c4279 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHH--- 4279c4284 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHH-----HHHHHHHHHH--- 4280a4286 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4284c4290 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHH--- 4289c4295 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHH--- 4294c4300 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4299c4305 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4304c4310 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHH-------HHHHHHHHHH----HHHHHHHHHHH-- 4309c4315 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4314c4320 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4319c4325 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHH-------HHHHHHHHHH----HHHHHHHHHHH-- 4324c4330 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4329c4335 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4334c4340 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHHHHHHHH---HHHHHHHHHHH-- 4339c4345 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4344c4350 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHH-------HHHHHHHHHH----HHHHHHHHHHH-- 4349c4355 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH-------HHHHHHHHHH----HHHHHHHHHHH-- 4354c4360 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4359c4365 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4364c4370 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH--------HHHHHHHHH-----HHHHHHHHHHH-- 4365a4372 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4369c4376 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4374c4381 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4379c4386 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4384c4391 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4389c4396 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4394c4401 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4399c4406 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH---------HHHHHHHHH----HHHHHHHHHHH-- 4400a4408 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4404c4412 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH-------HHHHHHHHHH----HHHHHHHHHHH-- 4409c4417 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4411d4418 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4415c4422 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4420c4427 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4425c4432 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4430c4437 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4435c4442 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHHH---HHHHHHHHHHH-- 4440c4447 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4445c4452 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4450c4457 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHHH- 4455c4462 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4460c4467 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4465c4472 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHH----HHHHHHHHHHH-- 4470c4477 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4475c4482 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4480c4487 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4485c4492 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4490c4497 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4495c4502 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4500c4507 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4505c4512 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4510c4517 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4515c4522 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHH-- 4520c4527 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH-------HHHHHHHHHHH----HHHHHHHHHHH-- 4525c4532 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH-------HHHHHHHHHHH----HHHHHHHHHHH-- 4530c4537 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH-------HHHHHHHHHHH----HHHHHHHHHHH-- 4535c4542 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHH--------HHHHHHHHHHH----HHHHHHHHHHH-- 4536a4544 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4540c4548 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHH--------HHHHHHHHHH-----HHHHHHHHHHH-- 4546c4554 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHH--------HHHHHHHHHH-----HHHHHHHHHH--- 4552c4560 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHH--------HHHHHHHHHH-----HHHHHHHHHHH-- 4557c4565 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHH--------HHHHHHHHHH-----HHHHHHHHHHH-- 4562c4570 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHH--------HHHHHHHHHHH-----HHHHHHHHHH-- 4563a4572 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4567c4576 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHH--------HHHHHHHHHHH-----HHHHHHHHHH-- 4572c4581 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHH--------HHHHHHHHHHH-----HHHHHHHHHH-- 4577c4586 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHH--------HHHHHHHHHHH-----HHHHHHHHHHH- 4582c4591 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHH--------HHHHHHHHHHH----HHHHHHHHHHHH- 4587c4596 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHH--------HHHHHHHHHHH----HHHHHHHHHHHH- 4592c4601 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHH--------HHHHHHHHHHH----HHHHHHHHHHHH- 4597c4606 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHH----HHHHHHHHHHHH- 4603c4612 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHH-----HHHHHHHHHHHH- 4604a4614 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4608c4618 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHH----HHHHHHHHHHHH- 4613c4623 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHH----HHHHHHHHHHHH- 4618c4628 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHH----HHHHHHHHHHHH- 4623c4633 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHHH---HHHHHHHHHHHH- 4628c4638 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHHH---HHHHHHHHHHHH- 4633c4643 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHHH---HHHHHHHHHHHH- 4638c4648 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHHH---HHHHHHHHHHHH- 4643c4653 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHHH---HHHHHHHHHHHH- 4648c4658 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHHH---HHHHHHHHHHHH- 4650d4659 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4654c4663 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHHH---HHHHHHHHHHHH- 4659c4668 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHHH---HHHHHHHHHHHH- 4664c4673 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHH----HHHHHHHHHHHH- 4665a4675 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4669c4679 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH---------HHHHHHHHHHH----HHHHHHHHHHHH- 4674c4684 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHH-----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4676d4685 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4680c4689 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4685c4694 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4690c4699 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4695c4704 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4700c4709 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHH----HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4705c4714 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4710c4719 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4715c4724 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHH-----HHHHHHHHHHHH- 4716a4726 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4720c4730 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4725c4735 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4730c4740 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4735c4745 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4740c4750 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4745c4755 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4750c4760 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4755c4765 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4757d4766 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4761c4770 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4766c4775 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4767a4777 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4771c4781 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4776c4786 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHHH- 4778d4787 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4782c4791 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4787c4796 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4789d4797 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4793c4801 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4798c4806 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4803c4811 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4808c4816 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4813c4821 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4818c4826 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4823c4831 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHHH- 4828c4836 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4833c4841 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHH---HHHHHHHHHHHH- 4834a4843 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4838c4847 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4843c4852 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4848c4857 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHH---HHHHHHHHHHHH- 4849a4859 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4853c4863 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4855d4864 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4859c4868 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4864c4873 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4869c4878 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4874c4883 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4879c4888 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4884c4893 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4889c4898 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4894c4903 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4899c4908 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4904c4913 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4909c4918 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4911d4919 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4915c4923 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4920c4928 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4921a4930 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4925c4934 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH--HHHHHHHHHHHH- 4930c4939 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4935c4944 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4940c4949 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHHH- 4945c4954 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4950c4959 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4955c4964 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4960c4969 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4965c4974 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4967d4975 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4971c4979 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 4976c4984 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 4977a4986 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4981c4990 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 4982a4992 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4986c4996 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 4987a4998 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 4991c5002 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHHH- 4996c5007 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 5001c5012 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 5006c5017 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 5011c5022 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 5016c5027 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHH-- 5017a5029 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5024c5036 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 3319.42 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 2389.09 5027c5039 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 2261.86 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 4780.6 5030c5042 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 3591.9 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 2556.82 5032,5034c5044,5046 < protocols.relax.FastRelax: (3) CMD: repeat 26257.2 0 0 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 26257.2 0 0 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 4569.29 0 0 0.022 --- > protocols.relax.FastRelax: (3) CMD: repeat 28477.2 0 0 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 28477.2 0 0 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 4748.76 0 0 0.022 5036c5048 < core.pack.pack_rotamers: (3) built 700 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 709 rotamers at 44 positions. 5038,5043c5050,5102 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 2206.61 < protocols.relax.FastRelax: (3) CMD: repack 2206.61 0 0 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 2213.12 0 0 0.02805 < protocols.relax.FastRelax: (3) CMD: min 459.214 5.0738 5.0738 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 459.214 5.0738 5.0738 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 2965.54 5.0738 5.0738 0.14575 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 1924.18 > protocols.relax.FastRelax: (3) CMD: repack 1924.18 0 0 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1934.22 0 0 0.02805 > protocols.relax.FastRelax: (3) CMD: min -16.1465 5.7328 5.7328 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -16.1465 5.7328 5.7328 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 85.6726 5.7328 5.7328 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 744 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -1.56255 > protocols.relax.FastRelax: (3) CMD: repack -1.56255 5.7328 5.7328 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1.13092 5.7328 5.7328 0.154 > protocols.relax.FastRelax: (3) CMD: min -63.8765 5.23367 5.23367 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -63.8765 5.23367 5.23367 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -47.1152 5.23367 5.23367 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 725 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -47.9802 > protocols.relax.FastRelax: (3) CMD: repack -47.9802 5.23367 5.23367 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -46.661 5.23367 5.23367 0.31955 > protocols.relax.FastRelax: (3) CMD: min -48.7083 5.19697 5.19697 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -48.7083 5.19697 5.19697 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -27.3402 5.19697 5.19697 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 710 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -27.386 > protocols.relax.FastRelax: (3) CMD: repack -27.386 5.19697 5.19697 0.55 > protocols.relax.FastRelax: (3) CMD: min -42.3382 5.15491 5.15491 0.55 > protocols.relax.FastRelax: (3) MRP: 0 -42.3382 -42.3382 5.15491 5.15491 > protocols.relax.FastRelax: (3) CMD: accept_to_best -42.3382 5.15491 5.15491 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -42.3382 5.15491 5.15491 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -42.3382 5.15491 5.15491 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -70.6528 5.15491 5.15491 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 758 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -76.7642 > protocols.relax.FastRelax: (3) CMD: repack -76.7642 5.15491 5.15491 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -75.7637 5.15491 5.15491 0.02805 > protocols.relax.FastRelax: (3) CMD: min -82.4883 5.13777 5.13777 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -82.4883 5.13777 5.13777 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -59.7245 5.13777 5.13777 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 710 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -62.5063 > protocols.relax.FastRelax: (3) CMD: repack -62.5063 5.13777 5.13777 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -61.4345 5.13777 5.13777 0.154 > protocols.relax.FastRelax: (3) CMD: min -68.3482 5.18572 5.18572 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -68.3482 5.18572 5.18572 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -56.2942 5.18572 5.18572 0.30745 5045c5104 < core.pack.pack_rotamers: (3) built 677 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 691 rotamers at 44 positions. 5047,5072c5106,5111 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 2831.44 < protocols.relax.FastRelax: (3) CMD: repack 2831.44 5.0738 5.0738 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 2999.24 5.0738 5.0738 0.154 < protocols.relax.FastRelax: (3) CMD: min 353.355 6.76388 6.76388 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 353.355 6.76388 6.76388 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 787.688 6.76388 6.76388 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 713 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 479.096 < protocols.relax.FastRelax: (3) CMD: repack 479.097 6.76388 6.76388 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 501.244 6.76388 6.76388 0.31955 < protocols.relax.FastRelax: (3) CMD: min -58.3244 5.96074 5.96074 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -58.3244 5.96074 5.96074 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -45.885 5.96074 5.96074 0.55 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 699 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -50.7892 < protocols.relax.FastRelax: (3) CMD: repack -50.7892 5.96074 5.96074 0.55 < protocols.relax.FastRelax: (3) CMD: min -70.4697 5.7387 5.7387 0.55 < protocols.relax.FastRelax: (3) MRP: 0 -70.4697 -70.4697 5.7387 5.7387 < protocols.relax.FastRelax: (3) CMD: accept_to_best -70.4697 5.7387 5.7387 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -70.4697 5.7387 5.7387 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -70.4697 5.7387 5.7387 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -91.611 5.7387 5.7387 0.022 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -56.3682 > protocols.relax.FastRelax: (3) CMD: repack -56.3682 5.18572 5.18572 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -55.4181 5.18572 5.18572 0.31955 > protocols.relax.FastRelax: (3) CMD: min -58.1977 5.22142 5.22142 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -58.1977 5.22142 5.22142 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -43.5418 5.22142 5.22142 0.55 5074c5113 < core.pack.pack_rotamers: (3) built 739 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 686 rotamers at 44 positions. 5076,5081c5115,5140 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -93.604 < protocols.relax.FastRelax: (3) CMD: repack -93.604 5.7387 5.7387 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -93.2018 5.7387 5.7387 0.02805 < protocols.relax.FastRelax: (3) CMD: min -110.313 5.82286 5.82286 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -110.313 5.82286 5.82286 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -66.0896 5.82286 5.82286 0.14575 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -43.5419 > protocols.relax.FastRelax: (3) CMD: repack -43.5418 5.22142 5.22142 0.55 > protocols.relax.FastRelax: (3) CMD: min -48.81 5.20677 5.20677 0.55 > protocols.relax.FastRelax: (3) MRP: 1 -48.81 -48.81 5.20677 5.20677 > protocols.relax.FastRelax: (3) CMD: accept_to_best -48.81 5.20677 5.20677 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -48.81 5.20677 5.20677 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -48.81 5.20677 5.20677 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -76.7547 5.20677 5.20677 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 742 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -79.2223 > protocols.relax.FastRelax: (3) CMD: repack -79.2223 5.20677 5.20677 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -78.0331 5.20677 5.20677 0.02805 > protocols.relax.FastRelax: (3) CMD: min -96.1301 5.36089 5.36089 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -96.1301 5.36089 5.36089 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -64.5185 5.36089 5.36089 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 697 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -65.7871 > protocols.relax.FastRelax: (3) CMD: repack -65.7871 5.36089 5.36089 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -63.6611 5.36089 5.36089 0.154 > protocols.relax.FastRelax: (3) CMD: min -78.7679 5.30394 5.30394 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -78.7679 5.30394 5.30394 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -62.9354 5.30394 5.30394 0.30745 5085,5146c5144,5158 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -71.055 < protocols.relax.FastRelax: (3) CMD: repack -71.055 5.82286 5.82286 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -69.1171 5.82286 5.82286 0.154 < protocols.relax.FastRelax: (3) CMD: min -77.901 5.77067 5.77067 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -77.901 5.77067 5.77067 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -55.8765 5.77067 5.77067 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 669 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -57.2399 < protocols.relax.FastRelax: (3) CMD: repack -57.2399 5.77067 5.77067 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -55.7234 5.77067 5.77067 0.31955 < protocols.relax.FastRelax: (3) CMD: min -76.2469 5.65923 5.65923 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -76.2469 5.65923 5.65923 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -64.4057 5.65923 5.65923 0.55 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 660 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -64.4057 < protocols.relax.FastRelax: (3) CMD: repack -64.4057 5.65923 5.65923 0.55 < protocols.relax.FastRelax: (3) CMD: min -73.7095 5.58304 5.58304 0.55 < protocols.relax.FastRelax: (3) MRP: 1 -73.7095 -73.7095 5.58304 5.58304 < protocols.relax.FastRelax: (3) CMD: accept_to_best -73.7095 5.58304 5.58304 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -73.7095 5.58304 5.58304 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -73.7095 5.58304 5.58304 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -93.5651 5.58304 5.58304 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 735 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -102.177 < protocols.relax.FastRelax: (3) CMD: repack -102.177 5.58304 5.58304 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -100.872 5.58304 5.58304 0.02805 < protocols.relax.FastRelax: (3) CMD: min -116.426 5.75643 5.75643 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -116.426 5.75643 5.75643 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -73.6292 5.75643 5.75643 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 691 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -81.6562 < protocols.relax.FastRelax: (3) CMD: repack -81.6562 5.75643 5.75643 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -79.4627 5.75643 5.75643 0.154 < protocols.relax.FastRelax: (3) CMD: min -98.41 5.7163 5.7163 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -98.41 5.7163 5.7163 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -85.116 5.7163 5.7163 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 684 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -85.1159 < protocols.relax.FastRelax: (3) CMD: repack -85.116 5.7163 5.7163 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -84.0677 5.7163 5.7163 0.31955 < protocols.relax.FastRelax: (3) CMD: min -85.6363 5.68396 5.68396 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -85.6363 5.68396 5.68396 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -68.3034 5.68396 5.68396 0.55 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 677 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -68.3322 < protocols.relax.FastRelax: (3) CMD: repack -68.3322 5.68396 5.68396 0.55 < protocols.relax.FastRelax: (3) CMD: min -81.0015 5.63908 5.63908 0.55 < protocols.relax.FastRelax: (3) MRP: 2 -81.0015 -81.0015 5.63908 5.63908 < protocols.relax.FastRelax: (3) CMD: accept_to_best -81.0015 5.63908 5.63908 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -81.0015 5.63908 5.63908 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -63.0086 > protocols.relax.FastRelax: (3) CMD: repack -63.0086 5.30394 5.30394 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -61.7643 5.30394 5.30394 0.31955 > protocols.relax.FastRelax: (3) CMD: min -64.1091 5.30447 5.30447 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -64.1091 5.30447 5.30447 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -44.9557 5.30447 5.30447 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 670 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -44.9142 > protocols.relax.FastRelax: (3) CMD: repack -44.9142 5.30447 5.30447 0.55 > protocols.relax.FastRelax: (3) CMD: min -54.6262 5.18621 5.18621 0.55 > protocols.relax.FastRelax: (3) MRP: 2 -54.6262 -54.6262 5.18621 5.18621 > protocols.relax.FastRelax: (3) CMD: accept_to_best -54.6262 5.18621 5.18621 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -54.6262 5.18621 5.18621 0.55 5193c5205 < protocols.helical_bundle_predict.HelicalBundlePredictApplication: (3) Energy is -81.0015; RMSD to native is 4.22965. --- > protocols.helical_bundle_predict.HelicalBundlePredictApplication: (3) Energy is -54.6262; RMSD to native is 9.25713. 5200c5212,5213 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH--------------------------------- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 5204c5217,5218 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH--------------------------------- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 5208c5222,5223 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH--------------------------------- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 5212c5227,5228 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH---------------HHHH-------------- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 5216c5232,5233 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH--------------HHHHH-------------- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 5220c5237 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHH---------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH--------------HHHHH-------------- 5225,5226c5242,5243 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHH--------------HHHHH-------------- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 5230c5247 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHH---------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHH--------------HHHHH-------------- 5235c5252,5253 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHH--------------HHHH-------HHHH---- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 5240c5258,5259 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHH--------------HHHH-------HHHH---- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 5244c5263,5265 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-------------------HHHH------HHHHH---- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5248c5269,5270 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-------------------HHHH------HHHHH---- > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= 5252c5274 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-------------------HHHHH-----HHHHH---- 5257c5279 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-----------------HHHHHH------HHHHH---- 5258a5281 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5262c5285 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH-------------------------HHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-----------------HHHHHH------HHHHH---- 5267c5290 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-----------------HHHHHH-----HHHHHH---- 5269d5291 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5273c5295 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-----------------HHHHHH-----HHHHHH---- 5278c5300 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-----------------HHHHHH-----HHHHHH---- 5283c5305 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-----------------HHHHHH-----HHHHHH---- 5288c5310 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-----------------HHHHHH-----HHHHHH---- 5293c5315 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-----------------HHHHHH-----HHHHHH---- 5298c5320 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH------------------------------- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-----------------HHHHHH-----HHHHHH---- 5303c5325 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH------------------------HHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------HHHHHH-----HHHHHH---- 5304a5327 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5308c5331 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH-----------------------HHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------------HHHHHHH-----HHHHHH---- 5313c5336 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH-----------------------HHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------HHHHHH-----HHHHHH---- 5314a5338 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5318c5342 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH------------------------HHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------HHHHHH-----HHHHHH---- 5320d5343 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5324c5347 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH-----------------------HHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-----------------HHHHHH-----HHHHHH---- 5329c5352 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH------------------------HHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-----------------HHHHHH-----HHHHHH---- 5334c5357 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH-----------------------HHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-----------------HHHHHH-----HHHHHH---- 5339c5362 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH-----------------------HHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHH---HHHHHHH----HHHHHH---- 5344c5367 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH-----------------------HHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHH---HHHHHHH----HHHHHH---- 5349c5372 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH--------------------HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHH---HHHHHHH----HHHHHH---- 5354c5377 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------------------HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHH--HHHHHHH----HHHHHH---- 5359c5382 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------------------HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHH--HHHHHHH----HHHHHHH--- 5364c5387 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------------------HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHH--HHHHHHH----HHHHHHH--- 5369c5392 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------------------HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHH--HHHHHHH----HHHHHHH--- 5374c5397 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------------------HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHH--HHHHHHH----HHHHHHH--- 5379c5402 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------------------HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHH--HHHHHHH----HHHHHHH--- 5384c5407 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------------------HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHH--HHHHHHH----HHHHHHH--- 5389c5412 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------------------HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHH--HHHHHHH----HHHHHHH--- 5394c5417 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------------------HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHH--HHHHHHH----HHHHHHH--- 5399c5422 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------------------HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHH---HHHHHH----HHHHHHH--- 5400a5424 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5404c5428 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------------------HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHH---HHHHHH----HHHHHHH--- 5409c5433 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-------------HHHH---HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHH---HHHHHH----HHHHHHH--- 5414c5438 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-------------HHHH---HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHH---HHHHHH----HHHHHHH--- 5419c5443 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-------------HHHH---HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHH---HHHHHH----HHHHHHH--- 5424c5448 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHH------HHHH---HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHH--HHHHHH----HHHHHHH--- 5429c5453 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHH------HHHH---HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHH--HHHHHH----HHHHHHH--- 5434c5458 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHH------HHHH---HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHH--HHHHHH----HHHHHHH--- 5439c5463 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHH------HHHH---HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHH--HHHHHH----HHHHHHH--- 5444c5468 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHH------HHHH---HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHH-HHHHHHH----HHHHHHH--- 5449c5473 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-------------HHHH---HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHH-HHHHHHH----HHHHHHH--- 5451d5474 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5455c5478 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHH------HHHH---HHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHH-HHHHHHH----HHHHHHH--- 5460c5483 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHH-HHHHHHH---HHHHHHHH--- 5462d5484 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5466c5488 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHH-HHHHHHH---HHHHHHHH--- 5471c5493 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHH-HHHHHHH---HHHHHHHH--- 5476c5498 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH------HHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHH-HHHHHHH---HHHHHHHH--- 5478d5499 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5482c5503 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHH-HHHHHHH---HHHHHHHH--- 5487c5508 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5488a5510 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5492c5514 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH-------------HHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5494d5515 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5498c5519 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5499a5521 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5503c5525 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5508c5530 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5513c5535 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHH------HHHHHH-HHHHHHH---HHHHHHHH--- 5518c5540 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHHH-----HHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5520d5541 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5524c5545 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHH----HHHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5529c5550 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5530a5552 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5534c5556 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5539c5561 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5544c5566 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5545a5568 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5549c5572 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5554c5577 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5559c5582 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH----HHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5561d5583 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5565c5587 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5570c5592 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5575c5597 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5580c5602 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH--HHHHHH---HHHHHHHH--- 5581a5604 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5585c5608 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5590c5613 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5595c5618 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHH------HHHHHH-HHHHHHH---HHHHHHHH--- 5600c5623 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHHH---HHHHHHHH--- 5605c5628 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5606a5630 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5610c5634 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5615c5639 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5621c5645 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH--------HHHHH-HHHHHH--HHHHHHHHHH--- 5627c5651 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5632c5656 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH--------HHHHH-HHHHHH----HHHHHHHH--- 5633a5658 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5637c5662 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5642c5667 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5647c5672 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH----HHHHHHHH--- 5653c5678 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH---HHHHH---HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHH--HHHHH-----HHHHHHHH--- 5654a5680 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5658c5684 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHH-----HHHHHHHH--- 5659a5686 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5663c5690 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHH---HHHHHHHHH--- 5668c5695 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5670d5696 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5674c5700 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH----HHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5679c5705 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHH-----HHHHHHHH--- 5680a5707 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5684c5711 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5689c5716 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHH----HHHHHH---HHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5691d5717 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5695c5721 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH------------HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5697d5722 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5701c5726 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----HHHH----HHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5706c5731 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHHH---HHHHH---HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5708d5732 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5712c5736 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5717c5741 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5722c5746 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5727c5751 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5732c5756 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH----HHHHHHHH--- 5733a5758 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5737c5762 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHH-------HHHHHH-HHHHHH----HHHHHHHH--- 5742c5767 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH----HHHHHHHH--- 5743a5769 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5747c5773 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH----HHHHHHHH--- 5752c5778 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHHH--- 5757c5783 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHHH--- 5762c5788 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHHH--- 5767c5793 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHHH--- 5772c5798 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHHH--- 5774d5799 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5778c5803 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHHH--- 5783c5808 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH-----HHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHH---- 5784a5810 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5788c5814 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH--HHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHH---- 5793c5819 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHH---- 5798c5824 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHH---- 5803c5829 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHH---- 5808c5834 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHH---- 5813c5839 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHH----HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHH---- 5818c5844 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH------------HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHH-HHHHHH---HHHHHHHH---- 5820d5845 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5824c5849 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH------------HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH--HHHHHH---HHHHHHHH---- 5825a5851 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5829c5855 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH--------------HHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH--HHHHHH---HHHHHHHH---- 5831d5856 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5835c5860 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHH------HHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH--HHHHHH---HHHHHHHH---- 5840c5865 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHH-----HHHHH--HHHHHH----HHHHHHH---- 5846c5871 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH--HHHHH----HHHHHHHH---- 5852c5877 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH--HHHHH----HHHHHHHH---- 5857c5882 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH--HHHHH----HHHHHHHH---- 5862c5887 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH--HHHHH----HHHHHHHH---- 5867c5892 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH--HHHHH----HHHHHHHH---- 5872c5897 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH--HHHHH----HHHHHHHH---- 5877c5902 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHH----HHHHHHHH---- 5882c5907 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHH----HHHHHHHH---- 5887c5912 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------HHHH-HHHHH-----HHHHHHHH---- 5888a5914 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5892c5918 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHHH---HHHHHHHH---- 5897c5923 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHHH---HHHHHHH----- 5898a5925 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5902c5929 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHHH---HHHHHHH----- 5907c5934 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHHH---HHHHHHH----- 5912c5939 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHHH---HHHHHHH----- 5917c5944 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH------------HHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHH---HHHHHHH----- 5919d5945 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5923c5949 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH--------HHHHHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHHH---HHHHHHH----- 5928c5954 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH--------HHHHHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHHH---HHHHHHH----- 5933c5959 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH--------HHHHHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHHH---HHHHHHH----- 5938c5964 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH--------HHHHHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHHH--HHHHHHHH----- 5943c5969 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH--------HHHHHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHH----HHHHHHH----- 5944a5971 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5948c5975 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH--------HHHHHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHH----HHHHHHH----- 5953c5980 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH--------HHHHHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHH----HHHHHHH----- 5958c5985 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH--------HHHHHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHH----HHHHHHH----- 5963c5990 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH--------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHH----HHHHHHH----- 5968c5995 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH--------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHH----HHHHHHH----- 5973c6000 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH--------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHH-HHHHHH----HHHHHHH----- 5978c6005 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH---------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 5980d6006 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 5984c6010 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH---------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 5989c6015 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH---------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 5994c6020 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH---------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 5999c6025 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH---------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHH---HHHHHHHH---- 6004c6030 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH---------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6009c6035 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH--------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6014c6040 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH---------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6019c6045 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH--------HHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6024c6050 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH---------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6029c6055 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH---------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6034c6060 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6036d6061 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6040c6065 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6045c6070 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHH----- 6046a6072 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6050c6076 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHH-----HHHHHHHH---- 6051a6078 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6055c6082 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHH---HHHHHHHH---- 6060c6087 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6065c6092 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6067d6093 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6071c6097 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHH-----HHHHHHHH---- 6072a6099 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6076c6103 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6081c6108 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6086c6113 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6091c6118 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6096c6123 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------HHHHHHHHHHH---HHHHHHHHH---- 6097a6125 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6101c6129 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6106c6134 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6111c6139 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6116c6144 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6121c6149 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6126c6154 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH---HHHHHHHHH---- 6128d6155 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6132c6159 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH---------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6137c6164 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6142c6169 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6143a6171 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6147c6175 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6152c6180 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6157c6185 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6158a6187 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6162c6191 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH---------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6167c6196 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6172c6201 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH---------HHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6177c6206 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6182c6211 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6187c6216 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH---------HHHHHHHHHHHH---HHHHHHHH---- 6188a6218 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6192c6222 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6197c6227 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6198a6229 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6202c6233 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6207c6238 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH-----------HHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH--------HHHHHHHHHHHH----HHHHHHHH---- 6209d6239 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6213c6243 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6214a6245 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6218c6249 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6223c6254 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6228c6259 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6233c6264 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6238c6269 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHH---- 6243c6274 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---------HHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHHHHHHHHH----HHHHHHHHH--- 6248c6279 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----------HHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHHHHHHHHH----HHHHHHHHH--- 6250d6280 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6254c6284 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----------HHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHHHHHHHHH----HHHHHHHHH--- 6259c6289 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----------HHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHHHHHHHHH----HHHHHHHHH--- 6264c6294 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----------HHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH----------HHHHHHHHHHHH----HHHHHHHHH--- 6269c6299 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----------HHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHH-----HHHHHHHHHHHH----HHHHHHHHH--- 6274c6304 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHH-----HHHHHHHHHHHH----HHHHHHHHH--- 6276d6305 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6280c6309 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHH-----HHHHHHHHHHHH----HHHHHHHHH--- 6285c6314 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHH-----HHHHHHHHHHHH----HHHHHHHHH--- 6290c6319 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHH-----HHHHHHHHHHHH----HHHHHHHHH--- 6295c6324 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHHH--- 6296a6326 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6300c6330 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHHH--- 6305c6335 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----------HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHH----HHHHHHHHH--- 6310c6340 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHH--HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHH---HHHHHHHHH--- 6315c6345 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHH--HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHH---HHHHHHHHH--- 6320c6350 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHH--HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHH---HHHHHHHHH--- 6325c6355 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHH--HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6330c6360 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHH--HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6335c6365 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHH--HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6337d6366 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6341c6370 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHH--HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6346c6375 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHH--HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6348d6376 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6352c6380 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHH--HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHH---------HHHHHHHHHHHHHH--HHHHHHHHH--- 6357c6385 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH-HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6358a6387 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6362c6391 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH-HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHH------HHHHHHHHHHHHHH--HHHHHHHHH--- 6364d6392 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6368c6396 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH-HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHH------HHHHHHHHHHHHHH--HHHHHHHHH--- 6373c6401 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH-HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHH------HHHHHHHHHHHHHH--HHHHHHHHH--- 6378c6406 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH-HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHH------HHHHHHHHHHHHHH--HHHHHHHHH--- 6383c6411 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH-HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6384a6413 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6388c6417 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH-HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6393c6422 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHH-HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6395d6423 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6399c6427 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH-HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6404c6432 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH-HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6409c6437 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH-HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6414c6442 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH-HHHHHH---HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6419c6447 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHH-HHHHH----HHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----------------HHHHHHHHHHHHHH--HHHHHHHHH--- 6421d6448 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6425c6452 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH-HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6430c6457 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH-HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6435c6462 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH-HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6440c6467 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH-HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6445c6472 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH-HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6450c6477 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH-HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6455c6482 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH-HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6460c6487 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHH-HHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6465c6492 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6470c6497 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6475c6502 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6480c6507 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHH--HHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6482d6508 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6486c6512 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6487a6514 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6491c6518 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHH---------HHHHHHHHHHHHHH--HHHHHHHHH--- 6492a6520 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6496c6524 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHH-HHHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6501c6529 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHH-HHHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6506c6534 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH-HHHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6511c6539 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH-HHHHH---HHHHHHHHHHHHHH--HHHHHHHHH--- 6516c6544 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHH-HHHHH----HHHHHHHHHHHHH--HHHHHHHHH--- 6517a6546 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6521c6550 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH----HHHHHHHHHHHHH--HHHHHHHHH--- 6527c6556 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6532c6561 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6537c6566 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6539d6567 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6543c6571 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6548c6576 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6553c6581 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6558c6586 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6563c6591 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6565d6592 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6569c6596 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6574c6601 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHHHHHHHHHHHH-HHHHHHHHHH--- 6575a6603 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6579c6607 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6584c6612 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6589c6617 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6594c6622 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6599c6627 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6604c6632 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6609c6637 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6614c6642 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6619c6647 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6624c6652 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6629c6657 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6634c6662 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHH-HHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6639c6667 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6644c6672 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6649c6677 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6654c6682 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHH----HHHHHHHHHHHHHH-HHHHHHHHHH--- 6655a6684 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6659c6688 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHH----HHHHHHHHHHHHHH-HHHHHHHHHH--- 6661d6689 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6665c6693 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHH-----HHHHHHHHHHHHHH-HHHHHHHHHH--- 6666a6695 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6670c6699 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHH----HHHHHHHHHHHHHH-HHHHHHHHHHH-- 6675c6704 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHH----HHHHHHHHHHHHHH-HHHHHHHHHH--- 6677d6705 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6681c6709 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHH----HHHHHHHHHHHHHH-HHHHHHHHHH--- 6686c6714 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHH----HHHHHHHHHHHHH--HHHHHHHHHH--- 6687a6716 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6691c6720 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- 6696c6725 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHH----HHHHHHHHHHHHHH-HHHHHHHHHH--- 6701c6730 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH-HHHHH----HHHHHHHHHHHHHH-HHHHHHHHHH--- 6706c6735 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHHHHHHHHHHHH-HHHHHHHHHH--- 6707a6737 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6711c6741 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHHHHHHHHHHHH-HHHHHHHHHH--- 6712a6743 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6716c6747 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----HHHHHHHHHHHHHH-HHHHHHHHHH--- 6721c6752 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH----HHHHHHHHHHHHHH-HHHHHHHHHH--- 6722a6754 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6729c6761 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 9675.58 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 3614.53 6732c6764 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 12735.7 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 4547.87 6735c6767 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 6470.02 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 1149.71 6737,6739c6769,6771 < protocols.relax.FastRelax: (3) CMD: repeat 29598.5 0 0 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 29598.5 0 0 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 8994.08 0 0 0.022 --- > protocols.relax.FastRelax: (3) CMD: repeat 22736.5 0 0 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 22736.5 0 0 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 4342.13 0 0 0.022 6741,6759c6773 < core.pack.pack_rotamers: (3) built 680 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 6059.73 < protocols.relax.FastRelax: (3) CMD: repack 6059.73 0 0 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 6063.72 0 0 0.02805 < protocols.relax.FastRelax: (3) CMD: min 317.396 10.2497 10.2497 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 317.396 10.2497 10.2497 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1772.77 10.2497 10.2497 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 678 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 1279.66 < protocols.relax.FastRelax: (3) CMD: repack 1279.66 10.2497 10.2497 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1352.38 10.2497 10.2497 0.154 < protocols.relax.FastRelax: (3) CMD: min 5.90169 9.61014 9.61014 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 5.90169 9.61014 9.61014 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 35.4715 9.61014 9.61014 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 683 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 714 rotamers at 44 positions. 6761,6766c6775,6780 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 28.8922 < protocols.relax.FastRelax: (3) CMD: repack 28.8922 9.61014 9.61014 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 31.214 9.61014 9.61014 0.31955 < protocols.relax.FastRelax: (3) CMD: min 30.8403 9.59033 9.59033 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 30.8403 9.59033 9.59033 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 74.5629 9.59033 9.59033 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 1111.27 > protocols.relax.FastRelax: (3) CMD: repack 1111.27 0 0 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1116.63 0 0 0.02805 > protocols.relax.FastRelax: (3) CMD: min 185.263 5.27408 5.27408 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 185.263 5.27408 5.27408 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1114.83 5.27408 5.27408 0.14575 6768c6782 < core.pack.pack_rotamers: (3) built 686 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 723 rotamers at 44 positions. 6770,6804c6784,6789 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 74.5629 < protocols.relax.FastRelax: (3) CMD: repack 74.5629 9.59033 9.59033 0.55 < protocols.relax.FastRelax: (3) CMD: min -32.9629 9.48484 9.48484 0.55 < protocols.relax.FastRelax: (3) MRP: 0 -32.9629 -32.9629 9.48484 9.48484 < protocols.relax.FastRelax: (3) CMD: accept_to_best -32.9629 9.48484 9.48484 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -32.9629 9.48484 9.48484 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -32.9629 9.48484 9.48484 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -52.98 9.48484 9.48484 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 716 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -55.2985 < protocols.relax.FastRelax: (3) CMD: repack -55.2985 9.48484 9.48484 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -54.3326 9.48484 9.48484 0.02805 < protocols.relax.FastRelax: (3) CMD: min -54.4794 9.47972 9.47972 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -54.4794 9.47972 9.47972 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -35.6343 9.47972 9.47972 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 684 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -48.2767 < protocols.relax.FastRelax: (3) CMD: repack -48.2767 9.47972 9.47972 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -47.9306 9.47972 9.47972 0.154 < protocols.relax.FastRelax: (3) CMD: min -47.9491 9.47898 9.47898 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -47.9491 9.47898 9.47898 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -41.4834 9.47898 9.47898 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 673 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -41.4834 < protocols.relax.FastRelax: (3) CMD: repack -41.4834 9.47898 9.47898 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -40.9736 9.47898 9.47898 0.31955 < protocols.relax.FastRelax: (3) CMD: min -40.9963 9.4802 9.4802 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -40.9963 9.4802 9.4802 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -31.3076 9.4802 9.4802 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 669.929 > protocols.relax.FastRelax: (3) CMD: repack 669.929 5.27408 5.27408 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 709.639 5.27408 5.27408 0.154 > protocols.relax.FastRelax: (3) CMD: min -1.26913 6.38407 6.38407 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -1.26913 6.38407 6.38407 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 26.8017 6.38407 6.38407 0.30745 6806c6791 < core.pack.pack_rotamers: (3) built 671 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 739 rotamers at 44 positions. 6808,6842c6793,6836 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -31.3077 < protocols.relax.FastRelax: (3) CMD: repack -31.3077 9.4802 9.4802 0.55 < protocols.relax.FastRelax: (3) CMD: min -32.9455 9.47376 9.47376 0.55 < protocols.relax.FastRelax: (3) MRP: 1 -32.9455 -32.9629 9.48484 9.48484 < protocols.relax.FastRelax: (3) CMD: accept_to_best -32.9455 9.47376 9.47376 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -32.9455 9.47376 9.47376 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -32.9455 9.47376 9.47376 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -52.9475 9.47376 9.47376 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 717 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -55.3748 < protocols.relax.FastRelax: (3) CMD: repack -55.3749 9.47376 9.47376 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -54.4116 9.47376 9.47376 0.02805 < protocols.relax.FastRelax: (3) CMD: min -54.5542 9.46847 9.46847 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -54.5542 9.46847 9.46847 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -35.7594 9.46847 9.46847 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 684 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -47.749 < protocols.relax.FastRelax: (3) CMD: repack -47.749 9.46847 9.46847 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -47.3711 9.46847 9.46847 0.154 < protocols.relax.FastRelax: (3) CMD: min -47.3922 9.46782 9.46782 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -47.3922 9.46782 9.46782 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -40.3429 9.46782 9.46782 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 673 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -40.605 < protocols.relax.FastRelax: (3) CMD: repack -40.605 9.46782 9.46782 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -40.0896 9.46782 9.46782 0.31955 < protocols.relax.FastRelax: (3) CMD: min -40.124 9.47038 9.47038 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -40.124 9.47038 9.47038 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -30.3292 9.47038 9.47038 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 24.2376 > protocols.relax.FastRelax: (3) CMD: repack 24.2376 6.38407 6.38407 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 26.5023 6.38407 6.38407 0.31955 > protocols.relax.FastRelax: (3) CMD: min 18.4142 6.58661 6.58661 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 18.4142 6.58661 6.58661 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 51.6619 6.58661 6.58661 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 733 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 51.4342 > protocols.relax.FastRelax: (3) CMD: repack 51.4341 6.58661 6.58661 0.55 > protocols.relax.FastRelax: (3) CMD: min -27.2618 6.54855 6.54855 0.55 > protocols.relax.FastRelax: (3) MRP: 0 -27.2618 -27.2618 6.54855 6.54855 > protocols.relax.FastRelax: (3) CMD: accept_to_best -27.2618 6.54855 6.54855 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -27.2618 6.54855 6.54855 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -27.2618 6.54855 6.54855 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -51.9939 6.54855 6.54855 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 766 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -51.7337 > protocols.relax.FastRelax: (3) CMD: repack -51.7337 6.54855 6.54855 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -51.4072 6.54855 6.54855 0.02805 > protocols.relax.FastRelax: (3) CMD: min -62.9059 6.38536 6.38536 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -62.9059 6.38536 6.38536 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -37.5305 6.38536 6.38536 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 734 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -40.8812 > protocols.relax.FastRelax: (3) CMD: repack -40.8812 6.38536 6.38536 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -39.404 6.38536 6.38536 0.154 > protocols.relax.FastRelax: (3) CMD: min -48.4269 6.52703 6.52703 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -48.4269 6.52703 6.52703 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -34.671 6.52703 6.52703 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 727 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -34.7024 > protocols.relax.FastRelax: (3) CMD: repack -34.7024 6.52703 6.52703 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -33.6205 6.52703 6.52703 0.31955 > protocols.relax.FastRelax: (3) CMD: min -36.9358 6.57016 6.57016 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -36.9358 6.57016 6.57016 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -21.8789 6.57016 6.57016 0.55 6844c6838 < core.pack.pack_rotamers: (3) built 671 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 723 rotamers at 44 positions. 6846,6851c6840,6883 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -30.3293 < protocols.relax.FastRelax: (3) CMD: repack -30.3293 9.47038 9.47038 0.55 < protocols.relax.FastRelax: (3) CMD: min -32.6029 9.47231 9.47231 0.55 < protocols.relax.FastRelax: (3) MRP: 2 -32.6029 -32.9629 9.48484 9.48484 < protocols.relax.FastRelax: (3) CMD: accept_to_best -32.6029 9.47231 9.47231 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -32.6029 9.47231 9.47231 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -21.8818 > protocols.relax.FastRelax: (3) CMD: repack -21.8818 6.57016 6.57016 0.55 > protocols.relax.FastRelax: (3) CMD: min -28.0205 6.8279 6.8279 0.55 > protocols.relax.FastRelax: (3) MRP: 1 -28.0205 -28.0205 6.8279 6.8279 > protocols.relax.FastRelax: (3) CMD: accept_to_best -28.0205 6.8279 6.8279 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -28.0205 6.8279 6.8279 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -28.0205 6.8279 6.8279 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -53.0468 6.8279 6.8279 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 775 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -53.8227 > protocols.relax.FastRelax: (3) CMD: repack -53.8227 6.8279 6.8279 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -53.3293 6.8279 6.8279 0.02805 > protocols.relax.FastRelax: (3) CMD: min -63.0884 6.86223 6.86223 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -63.0884 6.86223 6.86223 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -45.7094 6.86223 6.86223 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 752 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -47.0606 > protocols.relax.FastRelax: (3) CMD: repack -47.0606 6.86223 6.86223 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -46.1756 6.86223 6.86223 0.154 > protocols.relax.FastRelax: (3) CMD: min -47.1697 6.85619 6.85619 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -47.1697 6.85619 6.85619 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -32.8225 6.85619 6.85619 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 746 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -32.8325 > protocols.relax.FastRelax: (3) CMD: repack -32.8325 6.85619 6.85619 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -31.7029 6.85619 6.85619 0.31955 > protocols.relax.FastRelax: (3) CMD: min -33.7086 6.85675 6.85675 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -33.7086 6.85675 6.85675 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -15.2112 6.85675 6.85675 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 734 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -15.3008 > protocols.relax.FastRelax: (3) CMD: repack -15.3008 6.85675 6.85675 0.55 > protocols.relax.FastRelax: (3) CMD: min -28.5388 7.00631 7.00631 0.55 > protocols.relax.FastRelax: (3) MRP: 2 -28.5388 -28.5388 7.00631 7.00631 > protocols.relax.FastRelax: (3) CMD: accept_to_best -28.5388 7.00631 7.00631 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -28.5388 7.00631 7.00631 0.55 6898c6930 < protocols.helical_bundle_predict.HelicalBundlePredictApplication: (3) Energy is -32.9629; RMSD to native is 9.78586. --- > protocols.helical_bundle_predict.HelicalBundlePredictApplication: (3) Energy is -28.5388; RMSD to native is 8.41494. 6929,6930c6961 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHH-------- < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- 6934,6935c6965 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHH-------- < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- 6939,6940c6969 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- 6944,6945c6973 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER TorsionSetMover - Update_Helices======================= --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------------------------------------------- 6949c6977 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------------------HHHH----- 6954c6982 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------------------HHHH----- 6959c6987 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------------------HHHH----- 6964c6992 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------------------HHHH----- 6969c6997 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------------------HHHH----- 6974c7002 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------------------HHHH----- 6979c7007 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------HHHH-----------HHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------------------HHHH----- 6984c7012 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------------------HHHH----- 6986d7013 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 6990c7017 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------------------HHHH----- 6995c7022 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------------------------HHHH----- 7000c7027 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH-----------------------HHHH----- 7005c7032 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHH---- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHH----------HHHH---------HHHH----- 7010c7037 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHH----------HHHH---------HHHH----- 7015c7042 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------------------------------HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----------HHHH---------HHHH----- 7020c7047 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHH-------HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----------HHHH-----HHHHHHHH----- 7025c7052 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHH-------HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----------HHHH-----HHHHHHHH----- 7030c7057 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHH------HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-----------HHHH-----HHHHHHHH----- 7031a7059 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7035c7063 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHH------HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-----------HHHH-----HHHHHHHH----- 7040c7068 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-----------HHHH-----HHHHHHHH----- 7045c7073 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHH-----------HHHH-----HHHHHHHH----- 7050c7078 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH----------HHHH-----HHHHHHHH----- 7055c7083 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH--------------HHHHHHHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH-------HHHHHHH-----HHHHHHHH----- 7060c7088 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH--------HHHHHH-----HHHHHHHH----- 7061a7090 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7065c7094 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH---------HHHHHHH----HHHHHHHH----- 7066a7096 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7070c7100 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH--------HHHHHHH----HHHHHHHH----- 7075c7105 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH-------HHHHHHHH----HHHHHHHH----- 7080c7110 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHH---HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH-------HHHHHHHH----HHHHHHHH----- 7082d7111 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7086c7115 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHH---HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH--------HHHHHHH----HHHHHHHH----- 7087a7117 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7091c7121 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHH---HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH-------HHHHHHHHH---HHHHHHHH----- 7096c7126 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----------------HHHHHHHHHHHH---HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH-------HHHHHHHH----HHHHHHHH----- 7098d7127 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7102c7131 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHH---HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH-------HHHHHHHH----HHHHHHHH----- 7107c7136 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHH---HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH-------HHHHHHHH----HHHHHHHHHHHH- 7112c7141 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHHH--HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHH-----HHHHHHHHHHHH- 7113a7143 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7117c7147 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHH---HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH-----HHHHHHHHHHHH- 7122c7152 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHH---HHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH-----HHHHHHHHHHHH- 7127c7157 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---------------HHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- 7132c7162 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------------------HHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH-----HHHHHHHHHHHH- 7134d7163 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7138c7167 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------------------HHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH-----HHHHHHHHHHHH- 7143c7172 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------------------HHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- 7148c7177 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------------------HHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- 7153c7182 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- 7158c7187 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- 7159a7189 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7163c7193 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH--------HHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- 7168c7198 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHH--HHHH--------HHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- 7173c7203 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- 7178c7208 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- 7183c7213 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- 7188c7218 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH-----HHHHHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- 7193c7223 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH-------HHHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7194a7225 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7198c7229 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH------HHHHHHHHHH- 7199a7231 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7203c7235 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH------HHHHHHHHHH- 7208c7240 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH------HHHHHHHHHH- 7213c7245 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH-----HHHHHHHHHH- 7218c7250 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7219a7252 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7223c7256 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7228c7261 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7233c7266 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7238c7271 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHH-HHHH--------HHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7240d7272 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7244c7276 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7249c7281 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHHHH----HHHHHHHHHHH- 7254c7286 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7255a7288 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7259c7292 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7264c7297 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------------------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7266d7298 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7270c7302 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------------------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7272d7303 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7276c7307 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH---------HHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7278d7308 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7282c7312 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7287c7317 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7292c7322 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7297c7327 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7302c7332 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7307c7337 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH----HHHHHHHHHHH- 7312c7342 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7317c7347 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7322c7352 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7327c7357 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7332c7362 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHH---HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH------HHHHHHHHHH- 7333a7364 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7337c7368 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7342c7373 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH-------HHHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7347c7378 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---------HHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7352c7383 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHH----HHHHHHHHHHH- 7357c7388 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7362c7393 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7367c7398 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7372c7403 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7377c7408 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH-------HHHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7382c7413 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH-------HHHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH------HHHHHHHHH-----HHHHHHHHHHH- 7383a7415 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7387c7419 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- 7392c7424 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7397c7429 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHHH- 7402c7434 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH-----HHHHHHHHHH-- 7403a7436 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7407c7440 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH------HHHHHHHHHHH- 7408a7442 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7412c7446 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --------HHHHH--------HHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH------HHHHHHHHHHH- 7417c7451 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------HHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH------HHHHHHHHHHH- 7419d7452 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7423c7456 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------HHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH------HHHHHHHHHHH- 7428c7461 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------HHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH------HHHHHHHHHHH- 7433c7466 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------HHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH------HHHHHHHHHHH- 7435d7467 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7439c7471 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------HHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH------HHHHHHHHHHH- 7444c7476 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------HHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHH------HHHHHHHHHHH- 7449c7481 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------HHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH----HHHHHHHHH------HHHHHHHHHHH- 7454c7486 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------HHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHH-----HHHHHHHHHHH- 7455a7488 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7459c7492 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------HHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHH-----HHHHHHHHHHH- 7464c7497 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH--------HHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHH-----HHHHHHHHHHH- 7469c7502 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHH-----HHHHHHHHHHH- 7474c7507 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHH----HHHHHHHHHHHH- 7479c7512 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHH----HHHHHHHHHHHH- 7484c7517 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHH----HHHHHHHHHHHH- 7489c7522 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHH----HHHHHHHHHHHH- 7494c7527 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHH----HHHHHHHHHHHH- 7499c7532 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH-----HHHHHHHHHH----HHHHHHHHHHHH- 7504c7537 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHHHHHH----HHHHHHHHHHHH- 7509c7542 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7510a7544 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7514c7548 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7519c7553 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7520a7555 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7524c7559 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHHHHHH----HHHHHHHHHHHH- 7529c7564 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7534c7569 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7539c7574 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7544c7579 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7549c7584 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7554c7589 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7559c7594 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7564c7599 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7569c7604 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7570a7606 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7574c7610 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7579c7615 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7584c7620 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7586d7621 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7590c7625 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7595c7630 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 7596a7632 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7600c7636 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7605c7641 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7610c7646 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7615c7651 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7620c7656 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7625c7661 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7630c7666 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7635c7671 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7640c7676 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7645c7681 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7650c7686 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7655c7691 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 7656a7693 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7660c7697 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7665c7702 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7667d7703 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7671c7707 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -----HHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7676c7712 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7678d7713 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7682c7717 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7687c7722 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7689d7723 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7693c7727 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7698c7732 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7703c7737 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7708c7742 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7713c7747 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7718c7752 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7723c7757 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7728c7762 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7733c7767 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7738c7772 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHH--- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7743c7777 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH------HHHHHHHHHHH---HHHHHHHHHHHH- 7744a7779 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7748c7783 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7753c7788 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7758c7793 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH-----HHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7760d7794 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7764c7798 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH-----HHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHHH--HHHHHHHHHHHH- 7769c7803 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH-----HHHHHHHHHHH--HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7774c7808 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH-----HHHHHHHHHH---HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 7776d7809 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7780c7813 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH-----HHHHHHHHHH---HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7781a7815 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7785c7819 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH-----HHHHHHHHH----HHHHHHHHHHH-- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7791c7825 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7796c7830 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHH------HHHHHHHHH----HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7798d7831 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7802c7835 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ------HHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7803a7837 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7807c7841 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7809d7842 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7813c7846 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7818c7851 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7823c7856 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7828c7861 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7833c7866 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: -------HHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHH-----HHHHHHHHHHHH- 7834a7868 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7838c7872 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7843c7877 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7848c7882 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7853c7887 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7858c7892 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7863c7897 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH------HHHHHHHHHHH---HHHHHHHHHHHH- 7864a7899 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7868c7903 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7873c7908 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7878c7913 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7883c7918 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7888c7923 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7893c7928 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7898c7933 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHH------HHHHHHHHHHH----HHHHHHHHHHHH- 7899a7935 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7903c7939 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7908c7944 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHHH- 7913c7949 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7918c7954 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7923c7959 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7928c7964 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7933c7969 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH-----HHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7938c7974 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHH-------HHHHHHHHHH----HHHHHHHHHHHH- 7939a7976 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7943c7980 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHH-------HHHHHHHHHH----HHHHHHHHHHHH- 7948c7985 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHHH- 7949a7987 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7953c7991 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHHH- 7958c7996 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHH--------HHHHHHHHHH----HHHHHHHHHHHH- 7963c8001 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH--------HHHHHHHHHH----HHHHHHHHHHHH- 7968c8006 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHH----HHHHHHHHHHHH- 7973c8011 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHH----HHHHHHHHHHHH- 7978c8016 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHH----HHHHHHHHHHHH- 7983c8021 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 7988c8026 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 7993c8031 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 7995d8032 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 7999c8036 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 8001d8037 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8005c8041 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 8010c8046 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 8015c8051 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHH----HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 8020c8056 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 8025c8061 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHH---HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 8030c8066 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8035c8071 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8040c8076 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8045c8081 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8050c8086 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8055c8091 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8060c8096 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8065c8101 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 8066a8103 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8070c8107 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 8075c8112 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 8080c8117 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHH-------HHHHHHHHHHHHH--HHHHHHHHHHHH- 8081a8119 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8085c8123 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 8090c8128 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 8095c8133 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHH------HHHHHHHHHHHH---HHHHHHHHHHHH- 8100c8138 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8105c8143 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8110c8148 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8115c8153 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8120c8158 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8125c8163 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHHH- 8130c8168 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8135c8173 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8140c8178 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8145c8183 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8150c8188 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8155c8193 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHH-----HHHHHHHHHHHH---HHHHHHHHHHHH- 8160c8198 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHHH- 8165c8203 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHHHHHHH---HHHHHHHHHHHH- 8167d8204 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8171c8208 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- 8176c8213 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- 8177a8215 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8181c8219 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- 8186c8224 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- 8191c8229 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- 8196c8234 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- 8201c8239 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHH---HHHHHHHHHHHH- 8206c8244 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8211c8249 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHH----HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8213d8250 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8217c8254 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- 8218a8256 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8222c8260 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8227c8265 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8232c8270 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8237c8275 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8239d8276 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8243c8280 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8248c8285 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8253c8290 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8258c8295 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8263c8300 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8268c8305 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- 8269a8307 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8273c8311 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHH-- 8274a8313 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8278c8317 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8283c8322 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- 8284a8324 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8288c8328 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8290d8329 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8294c8333 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8299c8338 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8304c8343 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8309c8348 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8314c8353 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8319c8358 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8324c8363 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8326d8364 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8330c8368 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- 8331a8370 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8335c8374 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8340c8379 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8345c8384 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8350c8389 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8355c8394 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHHH--HHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: --HHHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8357d8395 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8361c8399 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8366c8404 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8371c8409 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8376c8414 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ----HHHHHHHHH----HHHHHHHHHHHH--HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- 8378d8415 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8382c8419 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8387c8424 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8392c8429 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8397c8434 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8404d8440 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8408c8444 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHH----HHHHHHHHHHHHH--HHHHHHHHHHHH- 8409a8446 > protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8413c8450 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8415d8451 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8419c8455 < protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH----HHHHHHHHHHHHH-HHHHHHHHHHHH- --- > protocols.helical_bundle_predict.HBP_HelixCoilMoveGenerator: (3) Helix pattern: ---HHHHHHHHHH---HHHHHHHHHHHHH--HHHHHHHHHHHH- 8421d8456 < protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER RandomizeBBByRamaPrePro - Randomize_Frayed_Positions======================= 8426c8461 < core.pack.pack_rotamers: (3) built 9 rotamers at 4 positions. --- > core.pack.pack_rotamers: (3) built 8 rotamers at 4 positions. 8428,8429c8463,8464 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 4368.58 < core.pack.pack_rotamers: (3) built 9 rotamers at 4 positions. --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 3153.33 > core.pack.pack_rotamers: (3) built 8 rotamers at 4 positions. 8431,8432c8466,8467 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 6894.22 < core.pack.pack_rotamers: (3) built 9 rotamers at 4 positions. --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 1117.09 > core.pack.pack_rotamers: (3) built 8 rotamers at 4 positions. 8434c8469 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 2933.06 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: CCCC, best_energy: 2088.15 8436,8447c8471,8491 < protocols.relax.FastRelax: (3) CMD: repeat 28907.5 0 0 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 28907.5 0 0 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 5684.03 0 0 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 704 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 2775.31 < protocols.relax.FastRelax: (3) CMD: repack 2775.31 0 0 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 2780.5 0 0 0.02805 < protocols.relax.FastRelax: (3) CMD: min 866.48 6.39448 6.39448 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 866.48 6.39448 6.39448 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 4953.24 6.39448 6.39448 0.14575 --- > protocols.relax.FastRelax: (3) CMD: repeat 27359.5 0 0 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 27359.5 0 0 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 3861.77 0 0 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 705 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 1273.95 > protocols.relax.FastRelax: (3) CMD: repack 1273.95 0 0 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1281.5 0 0 0.02805 > protocols.relax.FastRelax: (3) CMD: min 299.206 3.22109 3.22109 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 299.206 3.22109 3.22109 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1860.76 3.22109 3.22109 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 666 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 1149.03 > protocols.relax.FastRelax: (3) CMD: repack 1149.03 3.22109 3.22109 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1216.57 3.22109 3.22109 0.154 > protocols.relax.FastRelax: (3) CMD: min -30.6978 3.41419 3.41419 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -30.6978 3.41419 3.41419 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -12.4211 3.41419 3.41419 0.30745 8449c8493 < core.pack.pack_rotamers: (3) built 656 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 671 rotamers at 44 positions. 8451,8503c8495,8500 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 3512.88 < protocols.relax.FastRelax: (3) CMD: repack 3512.88 6.39448 6.39448 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 3715.99 6.39448 6.39448 0.154 < protocols.relax.FastRelax: (3) CMD: min 1025.02 4.94746 4.94746 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 1025.02 4.94746 4.94746 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 2034.48 4.94746 4.94746 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 663 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 265.499 < protocols.relax.FastRelax: (3) CMD: repack 265.499 4.94746 4.94746 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 275.794 4.94746 4.94746 0.31955 < protocols.relax.FastRelax: (3) CMD: min 20.9526 4.7099 4.7099 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 20.9526 4.7099 4.7099 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 56.1539 4.7099 4.7099 0.55 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 678 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 54.0443 < protocols.relax.FastRelax: (3) CMD: repack 54.0443 4.7099 4.7099 0.55 < protocols.relax.FastRelax: (3) CMD: min 20.2159 4.93522 4.93522 0.55 < protocols.relax.FastRelax: (3) MRP: 0 20.2159 20.2159 4.93522 4.93522 < protocols.relax.FastRelax: (3) CMD: accept_to_best 20.2159 4.93522 4.93522 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat 20.2159 4.93522 4.93522 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 20.2159 4.93522 4.93522 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -3.4212 4.93522 4.93522 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 738 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -8.18973 < protocols.relax.FastRelax: (3) CMD: repack -8.18969 4.93522 4.93522 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -7.13331 4.93522 4.93522 0.02805 < protocols.relax.FastRelax: (3) CMD: min -37.943 5.25876 5.25876 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -37.943 5.25876 5.25876 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 20.7161 5.25876 5.25876 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 660 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 18.0608 < protocols.relax.FastRelax: (3) CMD: repack 18.0609 5.25876 5.25876 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 21.9393 5.25876 5.25876 0.154 < protocols.relax.FastRelax: (3) CMD: min -15.7224 5.11472 5.11472 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -15.7224 5.11472 5.11472 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 5.78179 5.11472 5.11472 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 668 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 5.75213 < protocols.relax.FastRelax: (3) CMD: repack 5.75213 5.11472 5.11472 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 7.44525 5.11472 5.11472 0.31955 < protocols.relax.FastRelax: (3) CMD: min -1.65719 5.08116 5.08116 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -1.65719 5.08116 5.08116 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 14.7584 5.08116 5.08116 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -17.2628 > protocols.relax.FastRelax: (3) CMD: repack -17.2628 3.41419 3.41419 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -15.966 3.41419 3.41419 0.31955 > protocols.relax.FastRelax: (3) CMD: min -34.223 3.32913 3.32913 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -34.223 3.32913 3.32913 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -19.4328 3.32913 3.32913 0.55 8505c8502 < core.pack.pack_rotamers: (3) built 651 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 683 rotamers at 44 positions. 8507,8532c8504,8520 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 13.8857 < protocols.relax.FastRelax: (3) CMD: repack 13.8856 5.08116 5.08116 0.55 < protocols.relax.FastRelax: (3) CMD: min 9.45949 5.03709 5.03709 0.55 < protocols.relax.FastRelax: (3) MRP: 1 9.45949 9.45949 5.03709 5.03709 < protocols.relax.FastRelax: (3) CMD: accept_to_best 9.45949 5.03709 5.03709 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat 9.45949 5.03709 5.03709 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 9.45949 5.03709 5.03709 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -16.039 5.03709 5.03709 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 722 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -16.4517 < protocols.relax.FastRelax: (3) CMD: repack -16.4517 5.03709 5.03709 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -15.8858 5.03709 5.03709 0.02805 < protocols.relax.FastRelax: (3) CMD: min -35.3439 5.3246 5.3246 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -35.3439 5.3246 5.3246 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 4.00243 5.3246 5.3246 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 661 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 0.293121 < protocols.relax.FastRelax: (3) CMD: repack 0.29314 5.3246 5.3246 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 2.75326 5.3246 5.3246 0.154 < protocols.relax.FastRelax: (3) CMD: min -15.6451 5.1997 5.1997 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -15.6451 5.1997 5.1997 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 0.951227 5.1997 5.1997 0.30745 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -19.9265 > protocols.relax.FastRelax: (3) CMD: repack -19.9265 3.32913 3.32913 0.55 > protocols.relax.FastRelax: (3) CMD: min -31.8982 3.22277 3.22277 0.55 > protocols.relax.FastRelax: (3) MRP: 0 -31.8982 -31.8982 3.22277 3.22277 > protocols.relax.FastRelax: (3) CMD: accept_to_best -31.8982 3.22277 3.22277 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -31.8982 3.22277 3.22277 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -31.8982 3.22277 3.22277 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -57.1027 3.22277 3.22277 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 751 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -60.733 > protocols.relax.FastRelax: (3) CMD: repack -60.733 3.22277 3.22277 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -59.4832 3.22277 3.22277 0.02805 > protocols.relax.FastRelax: (3) CMD: min -73.3397 3.24668 3.24668 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -73.3397 3.24668 3.24668 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -38.5496 3.24668 3.24668 0.14575 8534c8522,8569 < core.pack.pack_rotamers: (3) built 640 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 701 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -39.566 > protocols.relax.FastRelax: (3) CMD: repack -39.566 3.24668 3.24668 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -37.2018 3.24668 3.24668 0.154 > protocols.relax.FastRelax: (3) CMD: min -55.6913 3.26233 3.26233 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -55.6913 3.26233 3.26233 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -40.0311 3.26233 3.26233 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 689 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -40.0444 > protocols.relax.FastRelax: (3) CMD: repack -40.0444 3.26233 3.26233 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -38.8117 3.26233 3.26233 0.31955 > protocols.relax.FastRelax: (3) CMD: min -41.5909 3.25189 3.25189 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -41.5909 3.25189 3.25189 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -23.4266 3.25189 3.25189 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 677 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -23.5248 > protocols.relax.FastRelax: (3) CMD: repack -23.5248 3.25189 3.25189 0.55 > protocols.relax.FastRelax: (3) CMD: min -35.3641 3.27471 3.27471 0.55 > protocols.relax.FastRelax: (3) MRP: 1 -35.3641 -35.3641 3.27471 3.27471 > protocols.relax.FastRelax: (3) CMD: accept_to_best -35.3641 3.27471 3.27471 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -35.3641 3.27471 3.27471 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -35.3641 3.27471 3.27471 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -59.9849 3.27471 3.27471 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 728 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -60.2369 > protocols.relax.FastRelax: (3) CMD: repack -60.237 3.27471 3.27471 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -59.8716 3.27471 3.27471 0.02805 > protocols.relax.FastRelax: (3) CMD: min -77.4675 3.4583 3.4583 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -77.4675 3.4583 3.4583 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -35.0877 3.4583 3.4583 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 690 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -42.7646 > protocols.relax.FastRelax: (3) CMD: repack -42.7646 3.4583 3.4583 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -40.4177 3.4583 3.4583 0.154 > protocols.relax.FastRelax: (3) CMD: min -58.1293 3.36963 3.36963 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -58.1293 3.36963 3.36963 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -41.699 3.36963 3.36963 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 669 rotamers at 44 positions. 8536,8550c8571,8585 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 0.67405 < protocols.relax.FastRelax: (3) CMD: repack 0.674083 5.1997 5.1997 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1.98648 5.1997 5.1997 0.31955 < protocols.relax.FastRelax: (3) CMD: min -3.69451 5.13152 5.13152 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -3.69451 5.13152 5.13152 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 11.9178 5.13152 5.13152 0.55 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 635 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 11.9119 < protocols.relax.FastRelax: (3) CMD: repack 11.9118 5.13152 5.13152 0.55 < protocols.relax.FastRelax: (3) CMD: min 8.92083 5.05515 5.05515 0.55 < protocols.relax.FastRelax: (3) MRP: 2 8.92083 8.92083 5.05515 5.05515 < protocols.relax.FastRelax: (3) CMD: accept_to_best 8.92083 5.05515 5.05515 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat 8.92083 5.05515 5.05515 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -41.711 > protocols.relax.FastRelax: (3) CMD: repack -41.711 3.36963 3.36963 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -40.4172 3.36963 3.36963 0.31955 > protocols.relax.FastRelax: (3) CMD: min -45.6845 3.32114 3.32114 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -45.6845 3.32114 3.32114 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -30.6727 3.32114 3.32114 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 662 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -30.6727 > protocols.relax.FastRelax: (3) CMD: repack -30.6727 3.32114 3.32114 0.55 > protocols.relax.FastRelax: (3) CMD: min -35.6097 3.31281 3.31281 0.55 > protocols.relax.FastRelax: (3) MRP: 2 -35.6097 -35.6097 3.31281 3.31281 > protocols.relax.FastRelax: (3) CMD: accept_to_best -35.6097 3.31281 3.31281 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -35.6097 3.31281 3.31281 0.55 8597c8632 < protocols.helical_bundle_predict.HelicalBundlePredictApplication: (3) Energy is 8.92083; RMSD to native is 7.87751. --- > protocols.helical_bundle_predict.HelicalBundlePredictApplication: (3) Energy is -35.6097; RMSD to native is 2.87132. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/helical_bundle_predict/output.silent /home/benchmark/working_dir/commits:20505/helical_bundle_predict/output.silent 4c4 < SCORE: -81.002 -215.866 21.767 163.893 0.385 10.013 -3.386 -70.189 0.031 -22.605 0.000 -7.031 -12.539 0.270 1.761 63.604 -7.003 0.000 -6.803 2.697 4.230 result_proc0003_0003 --- > SCORE: -54.626 -212.275 29.262 172.221 0.338 8.424 -4.372 -68.952 0.069 -23.598 -1.419 -3.851 -8.770 -0.006 2.781 62.775 -5.931 0.000 -6.803 5.480 9.257 result_proc0003_0003 6,51c6,51 < NONCANONICAL_CONNECTION: 27 SG 3 SG < NONCANONICAL_CONNECTION: 42 SG 19 SG < LXg4SBvg689rRIvFQAT/RBf6yn7zRwqFQDhEMBHOYH9D/fCFQI3nIBfDDB1DxJ/GQOGMUBPMbL+DMsXJQHryWBz0IW+7LwJGQsXlRBrtcx+75hTCQDx4QBPXcy+rhjZIQBGGUBT57d9TinOCQmcfTB3ajKA0xJUJQqNeYBLqnl9TifgJQPyLSBrpup8z2uGLQ result_proc0003_0003 < LFt6KBPR1w/TLrTCQ03aFBfqWVAUfhlBQaEJDBfPU5AU0WxGQGYHGBzk0VBUplIJQMn8FBD8qaBEfak6PDhaLBDbV+BkS0O8P6wxOBXs0xA0prH/PfO6KBrxky/zwvRCQI/9CBHzO/+j2bJAQK8xCBjMcFCUTwk7PsgaFB7hV+AECgVqPJNWLBvxhXCEkoSBQ5uzMBvVPPC06M1xPYwBSBTWzFBkXCQCQp8ZQBrv1UA0/Pl3P result_proc0003_0003 < L+ps7AXiz3A0fnPHQJ+Q2AvRRfBU034JQ2hYvAfhPVCURw/IQYrToAXYbQCEounGQuhPvAX21dAU1UVLQ7sf2AfBaF+DbeoMQhQT3ALFkaA0Q7YEQD0S8A/Cq2B0XLSLQk4HpAfHKGA0F59JQz8JrALIw8AUh6/MQ result_proc0003_0003 < Lt/fxAvys6C0FwIKQlJ2rA/onhD0bqXJQIv9fAHQjeDk8eCKQu0aSAn+puD0J9jIQw5vwA31QEEUoFxKQAGH8AvLgJEUA94JQ7R18AjErPEkDp+FQMV12ALMRdEkU5TEQslsBB3sxGE0xfNDQ5/K3APKQ8C0ZnkLQovnsADI0lD0uSbGQWa2wA3flBEkq96MQhHzrAvhTSE00EZKQEalABbaJ3DkDCPKQnEJ/A7skWEUWXHLQ result_proc0003_0003 < LS2BbAn4xJDk3hRMQCs8EAndWFD0rELNQ9xzu/aODuCEncGLQNugl+uog4CUCwsKQb8BEAnCWtCUVs1PQeSvMAD+fHDUYVFRQGijPA3ZZtDkz86QQNXfQALNV1CEy4HSQeHcjArIu8CkiOYNQlef8/WUPlD0oXdNQEoONALbzPC0O2rPQ2vBn/+7jkCUc3IQQ result_proc0003_0003 < LlJ+AAPdaOC01dyJQfXKr/ihIpBUpPpHQL4/k/O2+MCUxWbCQnbyr9aJeLCUaTAAQ/R0BA/B0VA0YFkGQF1iDAHG6v+zI5pJQoMQQAn9gT4DTe0IQe85U/yUn99DhMmKQNPiQAr0GICkBbKKQCE8u+eDUZB0VBoIQK6/RAPH2lAUHLTFQU33z/qp0n/jPXTDQUGKMArNzt/jfSSLQ06eRA7h7K8LxYgKQz2HgADOEk7zwUMIQAtJIA/8b06bsPVGQ2R0Z/OBxb6zCNSMQJH3k+yDfB8zt89IQ640k+2Iex/zmuNLQ result_proc0003_0003 < LIEMDAvqejCU+ztAQ2XKCAfxM9CECWb3Pbxoj/2aGhDUh2y4P+GQz+6pXrD0qEhhPFgLYAjYuPDkHzGyPNlMkAHP3uCE8bNhP+wSuAXUYEDEMiAsvvDh0A7QoZD0cUB0PDhL+A/wWwDUcnAoPDO8QAToviC0xd1CQV+M6/GyqoCEayBhPhtzeALcPfDEFMI8PtNiWA/gGoDEFYDhvr4qgAT/1bCUkFhyvwMUmAPugZC0Rna3PGmJsA/TjcD0MB74vxAZzAHnmsCUARr1vM6/2AzLfBDELCy7PjoYvADBmwDEodG6PpWCBB/f/9DkebN4PrS97A/ZoDEUNwAtvaciBB7dRbDkeTZlv result_proc0003_0003 < LtDih/iOG0DU3QJBQq9r39yyYLEkpvMCQtNiq/YxKEEEgFUBQ2V0BAdNOPE0wPb9PqRfj+OzoTE0SE7HQZupK/w5xlEUXhtIQvsy2+cDLuE0cQfLQz8hN/2NPwEEUsPMQGhYs/cqhyEE6u2MQRkQ1/CxQqDU/WGEQKfzo+WVcYEEWB3+PVXjp/iiTZEkbnPIQMGb69CEkGE0bfXJQS9L2/saDgEUGpkIQgk2C/EExyE02xjGQ result_proc0003_0003 < LlFb1/QWHjDU1gfDQyQXQAxZHSDUNHDDQkZCWAFLVIDUKFg6Pkg6jAx0ORDUvV01PyevSAFeppCUlWYGQWOrkA9M1XC0oeqGQeiMsAdju2CU3NlIQA5G3AJFnmCESMnIQcy6/Apda/C0hBsIQCW++AdaTpDEbUvIQxWwEBBYotCE3ctIQcRQe/ALKSDkDggFQGihbApXEqDkSpjEQy/eNANG6vCEfsOJQHudIA1mpQCUgPwEQTGskA9GL1BEgVhIQt8gnA9pvQCU2ooCQcXGsAlqnUD0D56GQDmwpABl08Ckx2oKQ+CK4AlrhGCkKxkIQoDp3AJY52D0mOuIQGeyCB5B57DUL8yIQHmHFBpyaNCEs6qIQNiDIBlUNADEfExIQ result_proc0003_0003 < Lw6zGABl91Ck3eWxP/5hJApCJuCkQEf1vpBJOApajXD03hv8vNsfdAdiPaDUX+bBwzj2q/kd5YCUOHX7vi8aq/4S5SCknTxDwatkHAdXXrBUQOaFwUEuZ8ypVACEr+eFwsp/x/wMMtCES9P4PhcEXAxQoYCEVor3vqaMn/0o7yBE6pb3vtLf8+MyPsCkQWO5vAWPv/MavxCEw7tFw8AbHAFA2iBEBm3IwYUuWARsBECUbGNEwDavFA5dYtAU18dDwVrFx8+KM4BU0B6IwfPPK+qZ8CB0rxiDwhsIU/aOIWCkL4UEw result_proc0003_0003 < LncwAAFly3Dk7H86vL2tCA5yNQE0xrSAwSHqYANFNaE0X8y+vGxKhAxt2iE0JfGDwtPUi/8CtfE05fB9v6VMi/AW/0EEXgeBwH0gz9ed7CFUope/vkfDs9iSbYFk1GmCwJTMn/SWPmF0Cz7Awfz1p/U6C0D0zZCzvag7AAJmPNEknSkEworhx9wiQYEU5lK+vVJ1l/QXEjEU4XBxvWJAAAV2e9EEfXrAwJE0f/Q2FyEE87wFwvKOh/eUw6Ek6ioAwBLvQ9mCqFFUWQw1vfWJW/IKugFU0ztBw8aUE+y53VF0Mw5GwDUvl/myT0FUsk6Cw8ZiBAno0eFEaSzBw6lil/mf+oFkbr65v result_proc0003_0003 < LY2NgAdV9YEUEF2xvASfqA1AbiEEG6RovTqpzAhAcXEEdl33vSzg7AthrhE0XT76vndRsA9bOhEENUB6PwxelABkwwEUbAQAQwKPnABvwtEkpZOGQBy8gAJIH+EEYquIQ7bphA5575EEx2pLQJ/4XAJbQREUVWDcP4xbqAlrMzEUw47wvnWhqANVFREk8408PRpp0AtofkEUQ8z7PLhjnA9OJBF0ZKV+P/5GaApTLuEkK3r+P7YtkAdHudEUvCZHQyAuvAVxfvEEA3IHQrYCkABHFOFEGyUIQ+oIRAN0q9E0oZIIQsmwaA1KGFF09xpMQ6wUdA1vQrEULsDMQyzXpAx7m6EEjWPMQ result_proc0003_0003 < LNylyAlNiCEk4gj5v4mC7AJZyrDkqih+vme05AVi2qD0PsUFw0I2ABV1HnDEN2HIwjO66Ahu99CE1NI6vDjP9AN5d5Ck5J8mP+/B8AdU0KCUjwVyPxBPEBluvJDEAacwPRQwrA1Pb2Dk0mk2vR+WBBRcZ6DkCxm8vG9DzAhtGwCE3uo7vVZbABtXKrCU6Bc+vxpc3AJlKMDkTr00P5As9AB2nHC0Zds9Pps4zApiMAC01pKuPWr0ABdTbuBE5rcaPnBEFBRokGDk5Aw8PPsIHBtfC3Ck925RvKLiEBhZTrD0WaVnP result_proc0003_0003 < LL75vAFsQuD0rOMHwOXitAxQVqD0MLcKw79hhA9ebnD0Be7Kwg1ZWAp3+7DkGEjJwGk2pAZstzD0clmEwPFzwAhm6CEEjQgLw6AexAVS8NDkkMPLw result_proc0003_0003 < LGe4cAhNyNDE4y5MwVUaGAhdXDDkqoVNwvKBEA9NGcCEFjHPwaSSQApU+VCEtLgQwryd1/4KlpD036jOwzmpM+Ey/iDkRE8Ow6NIK/SgcTD0664Lwrusi+uzAAEUdxxJwHRBkAZqLBDEYkIOw3nS+/MS67CEbYaLwvL75/APyCEU0zSNwhmoBAJH8wDUaXQQwmaej+60RAE0YKqPwp+/p70tLKDkH1NQwtR+N/uAJ7D0GBoHw6z6T/0LcBEkAnkJw063K/KdoOEkvWqKw result_proc0003_0003 < L/ETo/UojBCEHWgOw9VQb/cgH6A0XPGQwjFA/+y35aA0dPqPwwoHW/mrhGAUV6YNwalJ9/M9wj/T7guPwqoHu/4akU8DamaQwHcPO/QPzGCET30MwznVf/McEOBkeBJRwkX8NAR+VCAEKyTQwRLIBAlbeT/jZklNw5TiDAxl+c1zA4mQw result_proc0003_0003 < LBXpp/S/SXAE+d4QwJ9yKA/Ypx/j9JxQw5mhLAbfmq7jroPQwRj4YAjIK33j41zOwAqGWArf37/TC4HSwjlMmAb7Zt+TPIJSwEqJuAvGsIAU7EVRwenPsA322SBkrmFRw9YJ2A3BTJ/D6v8QwdONd/SpJqAU+NyRwzRRTALvphAko0DQwfMiXAfitABEmQbSwfEgMAniq6+TdI4Swmo/oALPKn+zzGLTwNcvlAzKms6D8jwRw result_proc0003_0003 < L21K6/uo9B77jpvQwL994/iRbk/7hAXQwCCRt/y/w4/Lm1xNwJTAAAfCrwAsR5WMwwd7R/WRKjAMqrORwmFim/mPYtAsnrrSwZJUA+GiiTB8c1iTwTTxg/4mICBs/ATTwWKE6+qbFBCMQ4cUwRQfk/6YlE0LqJaRwt6WMAvghNAM3qgQwoaZO+UxRCAMy0NRwbo+H/Gf6iBcKK0QwlyVBA75cWBc5ZuSwyKZv/6p0d/bjBFTw result_proc0003_0003 < L47q4+SaLU+L2G4MwIUdy6QUpa+rdeGKw3mHh/+LYY87QEPIwWN7n/a8OK+LanBEwtijq/Ekiw77NIxJw/RRLAdKZa+LJdmLwIVFv5C4LC8LtXJOw8blF+ouHQAM3xiJwsG8m/Mn7P8jtubKwcESz/MvDk7rhNUHw result_proc0003_0003 < LvWs1/KJVy7zxwJJwM6HLAHUsT+T/sIHw2lmdArczf5DeLzFwp0yiA34PX5z4GTBwW4qTA/WmXAkXnDJwfwQhA3AjQBUMj3GwN5YjA7OhRCEV7zIw9XqpA7KpLCUH5OLws8V0A7F7FCkXWSLwxC05ALzYFCEbpCJwtiU5Afd2AC0XNmNwVSmu/CRuS9DCr/Kw/E2DAr9r++ToBaDwfwVGAHF7+AEm5uJwKLacAzqsCAUf50KwN73oAPY6vAEMgQGwEEPbAXrVeBkQ8/Cw+rznAr4rmC0gK9GwzHqXAvJfgCU09WJw/yulAHa3LCkYCANwegA2A38QJCEqPjGweK6AB/cGBCUPPFJw/UH1AL1QBCUmtUPwNRqABTiI5B0FzoNw result_proc0003_0003 < Lh0KiAHdjR87Ok3Iw8UqqA7dDG/bgpdIwx0jnAP3ZkA8elrEwBLJuAvvk9AsP8XBwWjTtA73lQAMV6FLwvgSzAfG9y+LgVGNw63s1AXL9IAsJPrPwVHJ2AXQ2XBM1YuPwM2R3AD2Oy+b7u6QwDChdADlP57LxSsKw1myxAjaGD+r7miHwNg7lATebmAcDLCMwbqKyAzZ+IBsVhrKw8W26ArAdK+bq0NMwRdauAf7+G8bBQlNw3q54AzNvp/rk/yRwFO22APZsK77Sn2Qw result_proc0003_0003 < LKb/aA/Gt/AcSzyEww0qSAL2g6B8NaxAwSBjTAL8/SBMbz00vmIyYADlK+B85LMjP8ua3/S6uJCca7DCwSlUy/uU+mCMwV4Gw3a1H+ecnzCMkHtHwe86b8sfRNDcoSQKwphGd+Cii3DsJlaKw36/K/ymMGEchXTIwm26U9GIBGE83msMwo9MRAbJMrAMSdvHw+vfcAbpFaC8PbyAwGAok/GmAaB8+5zCwwTTp/C47ZCMjOQ9vhdmCA/A7DDM0OSGwfjZ9/6AeWCcb6OJwEN+6+A8BXCcT5CIw5QqP+A0XGDs/7SEworWs+01V+CMy/6Lw6aJU/ahu8DsJfHFw2eJX/aNCWE8BFbIwVaBk+o6/7DcTlUOwbNzd+KK2VEsGU0Mw result_proc0003_0003 < LPDZOADZrAAsznezv5fsOAbPGm+7Qj3wPmaqiA3fCa+rCS54PpLXkAP+7q+rSNRBQMqXFA/Hbi3jMhMsPFpuU/Sxz24TEHSgP8AK2+Kd2O/jL6Ejv1P8p9im2z6bi4x6PFwJKAH7xB/bTqc8vZS3EAntTs/7v2I6P7JVNALqZX8zmJtuvFOxIA7oEw8jF0P6P6xnE/+2Gb771z2zvt9qJ/k2BV/zMIRrvKwCd/aaP7/D8oe4v1xZL/iADQAEk8yyPI/hf/osfb6LrHW5PSLeq+KSwC6Dj13AQS/2v+ijWx+bCVP8P result_proc0003_0003 < L7hYqAz0b59LqHlmP61m1Aj5Ls9LpL8xPNaW5AT25QAMXUX5PYzj/A/xYUAMq3fAQstl8Abs0D8b6bFxvWpa7AzrAx9D95w3vWbnBBrOIs+jg6NAwYAWEBbkz57DvMQCwf73BB3SvgAEz0cBweTboAXOGV9bDm3zvG1f2AzPY04bnHR7PIBo6A3ibR+7F0b7v1RfCBHtkw8rqecqvCdo8APRtJ/jAyYevpPTzAnCYN+j3Xx6v result_proc0003_0003 < LIZi1AXRGWBsUTAxPG+53A/lCWCMjYX4P1z8xALPhfCcAWXBQfL61AbF52CsxHzEQ0MD1AzuX3CcVgLIv5mP8ArZt2CsMZ95viEo4AnDZXDc2HHBwePo/AL59VDMKiFGwEl67Avij0DsQHIJwMN4wAzs8OBsQzJovXkOAB3+IYCMcYB6Pa21sA7wVyCcC5LrvUXe1AHwSXDcFYdtPNXOCBrr49CMmKM3vw3E8AHG9WCMudj9v+IXwA3X4QD8wIQCwgNB5ADtY3Dsedx+vA56DB3hzdD8XsAFwt7h/AXUw1C8PewHwWLYAB3wnyDMDYvKwoNW0AzRNtD8TzqJw6fH8AP7TJEcj1YIw result_proc0003_0003 < LlhaoADYPNCseA6BQ/3yhADWaUCsE7nGQaJnnAzO+GCMAp2JQ2hNlAb2oWCcSBCMQ9LcOAj8k4BMfLGGQXMH9/ui4EC86uSJQJMpw+OSwNBsY96IQf2vL+kM/xBMtmaDQ5krlA7XwzB8Qv89PACHgAnhi2Ccyp7GQfpxGALI3EC8nYVCQnniRAff5zAMVv/FQdLyFATy74BsbFNLQf7M1/K41mCMIZVJQMVgj/IwhSB8h1YCQqOHp+EsjbC8vWhDQxbTF/+ubiBMwqaAQ result_proc0003_0003 < LaZRvATkuTBMvCkJQqWO1Av6jyAM8L2LQHG96AjZM6BsGgVNQwLF+ADO3vB8DfpPQkua9AnS5f/bdN8KQl3k3AzRdE6ryKgJQqCBxAXr49AMQObHQMmmvA3j9TAMpjNNQTbXBBHZQMA8xIdJQaSKBB77Y5+Lr7oMQ result_proc0003_0003 < L61T8ADJbhCMN1/LQGgqAB7PsGDMdUONQwCP5A3f0gDMl7zOQRN97AH1e0DM9qaQQI/TDB7XsiDso7FLQkSHIBnaLODcUbuJQh3hKBzj6rDczBSHQYxTPBbwXXDcwjhEQjjpRBP9xzDM3BXAQLKz5AnQRjCMDLFKQc/uDB3Bp7C8SFnOQwKZAB3VsqDMITjJQYCpEBbhTAE88w/LQosJLBXtjGD8Y4NLQWI4GB7LlwCsmPwIQS+gHB3ivzDMIDSEQXj0LB3UvEEs9amIQ+GYSBb+FQDM1teHQlnEOBTPf5CcCapCQ6MzUBjHBlDM/fQ9Ppy2OBPBR6DMBxG7Phc4SBTtrHEcSMECQ result_proc0003_0003 < LVjRvAn95gDcAk4NQr39mAvWf7DMYEFPQ+6xXAjt7tD8ZhIOQbTwTArUnqD8Y2uLQZt2oAv8UVEM44ZOQno8gA/RrkEsEzsPQx4ZjArJw7EskVHPQFHArA/Y1/EcbntNQbaWbALeUJFsPRCQQfMatAzZEODcj1TMQGmSnAv8m3DsF2nQQFD4wAnV9ZEMsPCPQcqZoATGkXE8CtPMQLR3RAfzChEMDT+OQ32BhADJKiEcgX7QQ result_proc0003_0003 < LB4cJA/OImDM8GBQQNoEn/+RzZDMVeZPQZFiE/GCRCD8/R3QQQ4dn/iGe3C8xE2RQep2NAbgzoD8oE/QQED+I/SyQ2DMOW6OQNV/m/KuaFDc8SoNQ result_proc0003_0003 < LDntO/IOZ6CMG+vQQ0yuu/Y2diCMSBxRQhplEAVie9BswAJRQDmvCAppwrBc0M5PQQcDGAREJAD8kWlSQDDtOA5LFpC8AusTQBASYAF/wQDMdFuRQVmNn/4BRFDsSB4PQCoUP/Il5TCMcgcSQyFo5/oHKbD8ta9SQJsgMABSS5CMjMgUQGsPhAV6rlDspHUSQpowRA9QoiDMAK4QQ/c1gAhM61CsSVWRQ result_proc0003_0003 < LRe7RAFKmUBcwF9RQ/KGeAVIKKA8Y2gRQnywmA5WihAcAGZQQD8/nAt/hj/rdd2OQOxLlA5TLI/L0ZrSQbhYcAdkdE+7jxoTQ5+rTAxOopB8nz5SQak6SAJ8s0+7WlIRQegKqAVKUVAMDnITQUJfqAFQoH97sIUSQrMUiAlVxw9b+QcUQ result_proc0003_0003 < LlB8rANtTrBMyuhQQPTazARj7ECcv2BPQxTCuAF9UICcZZTMQir8yAR1n+BMKrPKQkpA4AhJcwCMze1PQ4n2/AR6VDDcjD1NQTyNCB9FetDcBPuOQxZVBBpTT5Ds/UfQQCV2EBJS7AE8QVJNQ/YqqAlokHCsPjWRQ2l95AZ2DcB8Km3OQcRI8AdAgtCML93QQtYgxAl/RHDM9QDQQjhw7At37HDMXT7LQMILDBNDrsCszsgNQ result_proc0003_0003 < Lu56jAlsYVCsGVTMQzcAcANv0bCsyk0JQgrOWARIgiBcKohIQAyzXAFmiYBMuqLEQgWpHAtpv1CsCzVKQXoOMAZU0iDM2KWLQpC0YAlbm4DMSfHKQNgGDAtuBvD8WYVNQlAPgAh0/aC8hKEOQ2nDjA1LotCsr2bIQogm7/IGQlCsEP0LQaZs8/A+93CMvCgIQ result_proc0003_0003 < LaxhPAh7NlA8uoKKQFOTKARgef+LKkMJQvOedAVWeZ873PqHQdvPbApE460zYOgDQ0YcCAFTd+6LPHfLQp/AOA5kLyAcgtIMQi2I7/kGbr+LL5bHQMfN9/4RNf8TWvuKQJeWo/YgQR9bRlXMQoj5OAVvWW6LCCANQ result_proc0003_0003 < LI8JoAx1vG9brnAJQ//6xA9Ym847dp4HQXRG1AFjsV974AnCQYaN4AJrub4be0o9PP9D7AZ3Gi6rXi9JQVftCBF3W56DVVHJQn5LCBl2gt/T+M5IQjRd8ABkYYAUB8yJQe3vFB5gNeAkOIpHQQ2joAd47q+L5FsKQMFewAp5Ag9ziPJHQWSn4Ad2bm3Tvr3LQTKy8Alukv+7oPTKQl7zFBtpGF4DbwkKQLb9DBZItu0b+dYGQ result_proc0003_0003 < LX3S0AxOJKAcc/YCQuHK3AFz65AcYfL7PE7HwAJtegA81QAmPlfF0ARV8PA8NPD2vrkI2A1m2MC86kH9PIeD/AB7YgCMOU5BQqZZ9Alh9OD8WzvCQZo2CBhafhDMf+FGQYAuHBxnhtDslHVEQke+IBVWyoDspFh+PKjOLBBDG+DsutsHQdcoxAl1RqAcqhoFQxQd/AtFlrA8dVL5P1emuARkeTCcEdlAQf591ANqldC8uA8yPg5VDB516bCsV1t/P+/U/Ah/xQC8d4yFQ/it1AJrLUDs5msEQq7e9ABiYfDcopz9P4KCCBFvolDMtqAJQb1SGBFwHcDc1eX5P/0nMBtjzxDMs737PyqQKBNo3AEMvJzJQLx3OBxdjDEMzLYGQ result_proc0003_0003 < LYnqlAhZddAseVduPpr+bAhd5MAM+w1xvpdAcANhK78b8gG4vcuFYAVKJI7bNkrAwPzlFA51poAc8ysjv/t2CAZmcECcDNHKvhhxHAhZZhC8GeZ8vO1mhA5tQwCMHpo6vrs9iA5Q4mAs20I7PvzUgAZf+xA8TP77vSSnBAh+nKAsGcS0P9C0z/8CySAswdr2vGQ5NAxUGQCMpe2zPcMNl/I+YLCsXS7pP1oTkANIcCDcIVyAwYCfmAhIhTCc6Ny5vLYZiAhG5DDsrD3tv result_proc0003_0003 < LuVOgAN/6M4TTH5TvYcNhAFbbI/j51/pvc8jqAlzPt/Db195v+fCqANXkwAUKyTAwmPgiAZndVAEzL23PhWQhAtN6M573JW2PPh0TA5E9y/D/E70v+tOjAVxmZBEG4Z0PrgEXAZRoKAkwP/8PqnqpAxrA//TFTD8P result_proc0003_0003 < L1XHzA1U8J+jp004vp4a8AF2ta+ze7x/vJlN6Ap1og8TCbaFwNC97AF2tk+jqUvIwhGCDBhPTC8D2t56vmEVFB9akX+TWXJgvPvsJBxsPD7DjYWvPvkaLBB5ct9DwpD+PSo+PBlG+W8jLpjBQF5OTBdISV6rssz+P/vLRBRbeS+TE6MGQOELzAViHC7zoY9rvltR+ApnLRAEXIVAwQh8BBpxMC8be+r4v8EOGB1Ovj7TilaAw+E8GBVxPKAkFpysvXoLCBRUyn+D/+3xPDFUIBt8dj8r/lTyPzbINB1Y/86jaIPkvl7AJBZh8N/zT1zAQN8TSBNDL38LTea3P5wpWBh8cL8bkHTBQdmrOBBHOp/Di32HQ5fmUB5TLk9TdDDIQ result_proc0003_0003 < L2kX2A1OZc8bmDiFwz88zAJjik+Lf5RJwle4tAdHZlAcTIzIw3kMsAFHS/AMXjBFwlcI+AxOGG/rSU2Kwrgk8A91Qz+7MN0NwXXQ0At4Tl/r2y5Ow6DNCBxoBY9ryYJPwrkF1ApQfM+LxODCwqfxuAJdVj8LM4dKwBDLCBFtba9rM8MKwJLfABNLojAMBgbKwy95BBtpV48rVDkQwesfFBtE2K8Li2LOw result_proc0003_0003 < LTSnqAdn/OB8w79KwYepkAl2ePCcNQyKwDBVlAZqtoCMKuYNwioIpAB7cYC8LraPwO8zRAh9wGC8vBIKw4r6DANg5OBcV5nMwhjTsA1wl2As9iyMwAtFoAZYviCMXxLJwyUWJARODlCMTV5JwaPvQAJWorBMuaOIw result_proc0003_0003 < LhbnhARViQD8i+TNws+fhAxyqrD8cyrPwGS7MAF/UsDsPNfQwFHv5/o40iD80drPwV96kARtoMEsV/9OwykWwAljhOEsCm8NwOGfzAVKLlE86kTNw659sAJ/KzEMkXpNwDYa8A1BfoEMiXeMw0rmdA1QUcDc3UkLwuLKnA5EseDc2OkQwYOOfA9U/SEMGqbNwTIKkANu3WEc0JXQwASy1AJRSIEsildPw8ONxAFDuEEcaKKMw result_proc0003_0003 < Lx4OMAJim3DMuJxRwqoBw/IQK8DcYyeSwtdY0/AbaNEcFEqTwS3xd/4pTdEMK+sTw70pGAVPmJEcVdiUwNYvg/o63QD8hN+Sw0nEK++SzUDcWKtTwgbEaAFHK9DcFpQSw4gjQ/0OlEE8qtyRwBeGX/I0w7C8vrHSwmXY5/AXXCDcVEmTwiSSs+qh44C8hCEUw result_proc0003_0003 --- > NONCANONICAL_CONNECTION: 19 SG 3 SG > NONCANONICAL_CONNECTION: 42 SG 27 SG > LYq+Z/iUpFC0KyyOQ+YMAAbNuECU6Q5MQc/7x/q/unBE0rLKQeUPw+u+DrB0+6gJQWJ7JATEHxCE+amMQpmWn/2B0QCUErRQQ2r7C/uzFQB08SCPQzRsO+WotYC0MLGOQcmWMAzT9dB0brqNQIcHXAnf5vCURSLLQiL3PAnk97CkcOiOQe3k7/GYSHDEtS4LQ result_proc0003_0003 > LXxKIA3dRHBEUEoIQDguDArDfrA0r+yDQ8Td8/awN3B0BtNAQgNvm/ibiZCULR6BQ30uYA/C1AA0AlGCQvaskArBbtAkQZVFQdBBfAfFG7AUWdWJQnUUIADt0HBkzQpIQTtDt/WT15/DnQ2DQHZIbAjubIAErii7PFTBYAzJuu9zsM6CQneAnAzN0pBUoDZDQvo9rAPR8FAEJRlFQJo9iAfrI0B00uTKQz3ugAzYHCAk9ymKQ result_proc0003_0003 > LipyFAjEO0B02IA1P/Xx//SX/ZCEIU5jv/tIDAjzNHDERLCrPuvu0/Ww9lDkxOfkv1WFNAzaGUCEldr7vMeBHAHYPHBkqYfBw7D5PAb1iEBkDt3wPHtGc/2yyVCURP1tvzbDeAjSpTCU/aq5vhwaKAX1KvCU4YgAw result_proc0003_0003 > LeyyPA7FELDkgoP7PEIQUAzbk0DElpCAQppf//aWEFEUbv7BQJ4x7/G6qYEED/zBQuM4hAH2kvD0MOvEQXgGtAbElhDkHtJDQiucyAH3LAEElFx+PE5gyAzL9SEUqyhAQRZe2A/BVyDkppa1Ph+fWAnZjwC0zMb+PGwpbAjzhEEEIUE6PcDddAbgCYDEs1iHQdriiAXG9GEEyW3GQxXpsA3oSCDEfaPBQ1n8xA/XXeDkZ/vGQ result_proc0003_0003 > Lcdwg/2RTwDUUnrDQ2iNn+kxIAEkPo/EQERRk/Yl2DEEvN7/PR3I+/gNrSE0fHc/PH1Gh/MQ6gDkQ9VIQ1yq++QEMhD0f9LLQOgPY+WAk+DUQN3LQ64aS/c2BEDUB+pMQ+WCn/eOyQDEqKHEQJJLT+E2YPEkVaEHQXzpc/cVlADk4VFHQw2hBARY5oDkc/ZIQ result_proc0003_0003 > LPgSb/QJnsDUeiz3PSSj2/QYtuDU0hknvIXYq/Iz4KEERak4vbegAA1o1QEkh6BAwkfzv/Mk9FDEB5k4vdFO//MmPcCEe1htvshA1/UbbtBUGEu6vW/gXAdbIfC0cKnhvBWHW+cq+VDknWp4PWsJMA98LxDkfbWJPlnG3+8liCDkwWP6vNfTAAVMiJDkDRFAw0wNu/gJOXCkDqQwPwQ9//wuIyA0QlD2vWGHF/oJEqB0tJB8vkylCAJLO2B0NkLBwvf/cAhGfBCEVJ/pP/FBgAl9GkCUOct4vOOraAxO35CUoRWwP result_proc0003_0003 > Ln+9T+gF0UE0WthzvX4cW+OiwoE0GU06vRqYW/UMC6E0yWi5vsh7X/kLqJFki5h/v3VWx/imbwEkn0R0vKnEMAbLljEUdcw5vppQgAjY6rEEnLRxvp0AqAzJrfEkVgl4vhV/zA/TtmEEACgsvniLw+uIYOE0XNDyOQmVs+Wh3lE0qVrBwOb8v/2ttvE0vpRqPRgp2/qkFBFE7aX4vA2lNAvZmkEkC5NBwKs7JAbJ2SEEw/H3vdkbfAH/RqEE6xEwPd8PhAvhz8Ekp0H1vYb7qAblGiEkKQlAwwf4oAPCoOEk3FS2voaQ6APSOeEEXB7zvOYSzAjwPkE0XuqxPQRN1Avnb2E09SExv result_proc0003_0003 > LuwR3/oYI3Ekx/glvtqsNA5LkFF0J4ZIvO2LdAxTfEF0unh5vwE4jAJGQUFkFbK8vtFdZAZYKAFUVyQ6PDmuMAthxEF0YUMCQ0PdGA175bF0sFtCQs/IUA1CYpFktsKCQpD6n/0IHgF03moDQ4jgz/cgmqEktZTtPpinHA9g4VF0NXWVPEUrdABSPvE0QET6PD0JkA5KRJFEKLr6P0Pk8/0qA7EUOULCQMIRWA9tKAFEXspFQ result_proc0003_0003 > LafdeApRzxE0bVj+vRJ2lAN++uEU8vBEwAoXgAt3D4E0SMfIw8dolAptRAFUXBTKw9dToAtcaXEEhT7EwXEdvABSQNE0antAwTPGxARTJsDku2uBw4203ANddYDEbdW7v77+5ABSSuC0lqw6v8L51AhU2TCkgD7Aw9wGABtfffCk+6OsvkDDWAVPOlE0U6t7vyVXtABuf3E0AKbDwuH3gABfXOEU/OCFwXYNsAp4YVEUvWZIwvlP3AthGVEkg8uAwLTyrAhvEPEUV8j5vsJZpAts1bD0enuBwnM80AVJ2nDkuxmFwCiH7AtUyrD0TAhzv6fIxARDKfCUOd3Dwmqg3AtAfoBkJ5sAw4ZrBBpk0zCkA1jpPae6ABFpz/B0Lsdqv result_proc0003_0003 > LVpiLAxuh2EEobjIw1ZF+/ctb/EEu+vKwMlNFA93mWFETvSLwOFKGARhgdFELImNwpSm4+09D+E0QNHKwSzy/+OCXHF07UPMw3Arp+2tG7E0TU2OwD369/aqFGF0UBQLwi74DAp2/uEkRmFGwx7QCAtjG2EkZ6iMwT1JN+gbUtEkXL1Jw3Zkg+koiGFkOsPIwb5ec+CnBYFkdWnMw2mmf/6stBFUrhLQwvkLN/0xi8E0Z8hPwJ/KE/+ATqEk3whOwJAqJAXatMFUUvwMwXULDAzYb1EEgI4KwMwiAAj1NPFUAzZJw result_proc0003_0003 > LFrZJApFkiFUpKKJwHRNOA5PU5Fko9YJwboshA1Y88F0p20KwnLMjAVLlGG09ALMwXJuOApX5BGUTKQFwvhyx/Qd/CG0GamCwMGG1/sy0IGU5Oj6vfhiDAdJlBGUVs5mv9iEGAJtTHGUDzf4P2IQJAputbF0GKqGwRYpBAREcAGkspkKwKY7YARUd6FU5DmCwEYrVAtn3JGUGhkFwgJrY/QgbHGk2uOFwFNQk/0eJ2FE9C7BwHW9EA5gxPGEXnb7v0q7K/MTlLGkIwH4vNavx/snl1FUqB/avirGTA5jE9FUh6swvbOEMA1WPCG0yFC+Pl/LQAdkiNGkgYE3Ph5Xv/8aCKG03y96P result_proc0003_0003 > L8UCpAp0vtFUG+hKwOTF0AdZ4wF0HZYLw9592AdM8hFkHXrNw6Eg6Ad0DpF0j9yPwEfv7ApKctF0xNCJwPIwDB5ApwF0nHuJwELSHBtmvtFETfiGwG6KNB12ewFU6Q7Hw5/qQB9c4tF0qAKDwCH6mAdUqfFUYisJwww90AV3oAG0jAGMwbZu5A1vd4Fkk91Gw6sy6AlEPdF0m2QIwXU8EBBBGlFULnPLwK1VEBNOWAG0BHhKwIAMGB1Mg5FEBbgDwEQrGBl5ydFUsh4Ewe9TOBZKrkFE8ZdJwhS0NBFjLAGkLezIwwKiUBRa0vFEDgPEwlnsPBJv94FEFSYAwRjKQB1eGfFk4tmBw result_proc0003_0003 > LEIc1AhIMNFENpPNwTDL5A9EB9EkbJIPwZdKwAl4o1EUiteQwc4CyA16qvEEKRoRw6Zy9AdMxpEk+RnNw7LjDB9fsuEEDntLwVWMFBV/VaE0yQQKwiKNIBdi63E0VCTNw57lxAx3fIFUDVkLwAdd/ANkAEF0rbLQwF7a3AJffiE0gEcMw+9SABJMDeE0fVEPwodQCB9xR6EUvyNKwUEgIBtF2dEEMy5IwI6zBBdRRUE0gzGJwwhcGB59VOEEtGtLwc6gLBlbb7EUDi8LwCUgJBVeVsEkCxyOwtJ8GBlEmGF0SkSOw result_proc0003_0003 > LBoXmA5YF2Ek+b7Pwr0RaAx8FuE0Y+sQw6/uSAdnrYEUPgJQwLVYfAtQXME0bINPw0jSlAdTH8EEmvEOwlTUNAVMu5EEpZpQwCTdeAptVsEUnUwRw result_proc0003_0003 > LnmG8/sZVUEk4rSQwGS2p/MhEAEE2psPwYBWo9wfX0DkH5qQwCCyL/ayHIEUToFRwopId/w5MBEUFpuMw8Jyt+sRcZDkGEmLw/Gsi9c7gcD0WgCIwW3Es/OCT+DEyD4HwYpzo/8fWfEU/AuQwgdzAAFTDnDk2f/PwaUM7/gq8EEkIAlLw69Id+8xFOEUCYZMwuR1F/2IySDUlNlMw2QCh/MKx+CEg6+Lw+Iw1/m1mBE0FzuDwN8hk/yziOEkte2Iw9JFDAXHMvDUcXCJw result_proc0003_0003 > LrJK39mP6KDk+g5QwO/Cq/mw/6CEcKjRwDKiCAHskgCE/llQwwmh1/iaJSC0VZGPwpanc/2OPgCUkowSwbyJj+iu54CU/6tTwazrG/IL41Ck3TnQwUbB9/ilVWD0bP4RwKlWo+iznFCkExcSw+fO7/60vSC02qMTwvAcP/CauTDk4fwTw result_proc0003_0003 > LsTzWATbVaCEAB8QwAdsiAHZTBCU0IHQw37odAbupmAkyj7PwxaNiAHPRx/TxuHOwzj9tAzuyBCUqbtQwM8ezAnHLtC0jJqQwhgi+AbJZsCkl/PRwPRYCBHjkRCkGG3Qw6mYABnPqGDUv4FSwCmPcAzDRnCUJHzRwRu/iAfTpPCEdHPOw21mtAvXhvBkaMwRw3U/yAXjyVBEYfLQwwdB0A39f3C0oWPPw0xnuATuZEDE9mMRw result_proc0003_0003 > L8UZPAvJOMAkxG3QwlXEGAbUGb9jKXzQwrFc4/y+OV8jI13OwIi31/+5oQ8bU3/NwN3Mq/GBSw8jAK5RwalHM/2SMy8ry28RwUe8o+QcjV9LhnDTwRlbs9gD5c67tgHUwssaq/0197+7Zw1Sw1f6KA30W0AU7fmRwsGvSAnQ2/3j0F+Qwt/Z4/SYKl9zif3SwFZPB/ug40+DhMvRwjj+S++Ipm9769/Qw65Pv/O8y3+bttFSw result_proc0003_0003 > LU+jq/qEiS/zr+hNwWRIM/W2WC/zMH7Kw+7Vv/edQX8DVFGJwRzvZ/uaC04L+xGHwdgVD/ify4AE0wlJwsLECAX27pBEsMtIw5zTu/SyCkA0ZpVOwa2Rn+cu0M+T9cNLwxw0L9g/pyAkX7iHwZMSt8WyNkB0BS7Kw result_proc0003_0003 > LxO2MA3uTq8D9rRJwDtzaA/idz37/uFHwQ9LYALnNO/b++DIwTjgYAXpvaAsyAaEwL7CpAzriL6T6n7Hwf3BsALkbT/j7h2Fwerz3A7LNp/jMQdFwLJ/8AfRia/zpoUJw6as+Az5KvAU7bALwWJm7Aj7t8BUq9VKwUevBB722hAki4UNwFZcTA3U9j+DtipKwbLhWAD/Ut2z8N8CweR6qAvyC95jB8FKw1JOuA/Qln77nF9Fw3NmoAvHxl/z+k4Bwl46oAnTdaAUN7RIwBbG7AfICH+z9e1Cw5Qn5AfrnzAkR40DwC5e/AbWRK9jny5JwZ173AvncDCEUfkIwlC48A3ZDXCUHwmLwTt7CBr0cM/j0i1NweZYCBD9NTBEFolOw result_proc0003_0003 > L93lVAL8b8/bNVmKwmZMTALysXBc6pXLwNnc7/2VV7BM+CdKwafV4/6DxiCctjpJwdScVAP2rhBs5xZOwxe3lAbN5OB8sjdPwcCdmAnPJUBsnmPRw9X7cA/UHHBs7I8RwE/7vATTTnBsAzwRwhaRVAH3Ph+r57BMwgEyfAPxt8Bs0sZKwLCRKA3iy2As/5ZPwy6QRAn+bRCcde+OwqFcrAX2e9BMeToOwCuKoAvZcOA8n42Ow3G0wA3oqrB8rUwSw5UN2A/NYxB8PWKRw result_proc0003_0003 > LeLxU/ChBGBsuLlKwnolA/4hkfBsuutJwCmQD/An+uB8jjaFwGEPl/g0MWCMFxiDwf3Cx/kPfbAMf8cKwD0u4/QH2QAsz7bNwtDxLA1eeV+b3GAOwLVwNAdnyo9rTSbQwja4bAl17T1rkW+Qw4ujkAVg6e8zyHNQwwtbcApbUo3DqPSSwAe3d/msQKAMs9SLw98jR/YEfNCsxpuKwjLym/EUj7+rK0qJw8e1HAJw0qAMmnhJwD41CAZUHMBMcRQOwCMKV/Mf0BA8EfbOwSaWGAFAKB6L/ICNwjSfbAx2M4+bh8ONwxj1DAB9R0+rhODRwZPWkAZlL97TP/ZOwHg2pARQuh+DsZnQwqWQSARasO7rhG4Sw5bgjA9neB9jmgsSw result_proc0003_0003 > LPuZ19aU22A8gzZCwq0JM+uAg/A8eJN5v1Rbc/uQxHCcIs/zvLGnD/C/deC8m5bjPuZgV/Wqlg/bubiwvDRvj8ei7q7b+3kxvzF4W/2rGz8zwW/Zv9KMo/YFBf8L+Y9lPiySE/ul5EAsNYLEwXB6V/sd2EBMXhN0vHV+4/e8qJ/LvDX4vLcih/6T86/r70PwPWezd+USR55b5YF9vCeTj+ikaP/Dqg6fv23D4/a2IO9jmuEzv5/qk/20LB8jmDR3P7q06/IAbZ6jpz9iPZc4f/o6zV9rO2C6P8LD7/0F24+r7B8jv result_proc0003_0003 > LmdnAADsQQCMr6o7vESBNAzSK3C8W255vj9A//us8eDMKc47vZYO//GF58DMS19yvabWgAzvu3Cce8lAwNOXnAvOQfDMHP+/vO+DxAv7ReDc9iiDw6M8yAPx89Csw1AGw0fm2AXu69DMnAyDwladFAr0c2BsR0oAw1rWSAzZt3C8UiykvESSlA7YubCM6Dj/vORobAjL11C8igwEwl5oiAr4h7Dszw8AwsI6pAP/2hDMlJV3v result_proc0003_0003 > L5ywn/KuEfDcO/YCweSfv+a5aBE8+fwDwSXXK/g2XFE8/7x+vhM8W/sChXEcYPS7vsx5p+8Rs6DMbWjIwbCTn/0uhPEMc9eJw/zV6/0f2KEsqOOMw3nQMAREmcEsq5GNwyIfVAJiXYEMUNzPw22cp/SRvFD8d94EwI4ye/uszPEsZ5HEwwY11+iSK1DMZdGKwBa8b/g32dDM17ZIwuInAARlwREcFODIwQZrJ/8pSeE8kylJwJcqg/ouSJE8e/rNwcd/FAhxo3DsuoJMwyaRZAJKGeE8++qLwH3nDAtLvrEMHtKNwm4XfA9kekE8vBKQwdrjJAJdPXEspBlQwbAzdAN4gKEMTrwPw result_proc0003_0003 > LfqPq/YKkoDcDBS7vywOFANerrDcNdhrvl+F4/QKJAEMR2U2PgJHGAdx/NEcg3B8PgDQOAVPb/CsUrLSvnvlcApl0sCsXl/4vfWOhABH3pB8m2x1vSYloAFFouB82GxyPLVxj/4hrLDM3mh+v76MSAFZAAE8oRdzv4eIBAJqGpCcIaAgPQvhXARY9ADMVFI2P0b0lAlMZ+CMhtN5vRd0UAh9QwCczBYAws59qAFnNuA83Hf3PU4kjAJSTFC8hdn7PkzsvAdyALCMIWjwP result_proc0003_0003 > LnigD/ISmyDsIuO6PuEx19CqzBE8mF3BQLaNw+OfrZEcOhSBQi7wv9OQMmE8B26EQnMjt/2vOsDsxc4CQSIwEAXx09D8nWaIQUYpt9sV0bDMZ4vzPFXKD/w1r+DcyvSFQhcfn/mtAKDMMHRDQAsZBAzzrwDsgR8+P result_proc0003_0003 > LswWb/O25fE833a5Pzpto/e0N2EcsX22PKQD/8SmVEFsRV02PqOZd9iuaWFsEwT7PCUSAArQb4EM6ozsvxPKXAfUCwEc8VDsvh18gALjqyEsDw29vYsisA7kQrEsJpi9vXdvxArVusE8EOHEwUWlj/2R5UEc+KxuPZ4l9/GKu7E8wb29PDuQv/OC0vEcLnb5vzv0AAflOJF8UxDzvhrLgAnPw4EsTj7rPO1FXAH+IfEMKX4dv2TRZAXRUpEs4i6BwoaugA/jcDFs/8GAwbuAxAf9E1E8KOz3vOX4sATEtaEs6j06vniZ5AvGrnE86s1DwervtAnZbjE8x3vGwcVnxAj3D8EcHiYFw result_proc0003_0003 > LNv5h/Es+7Echm/rPjFZFAl+NHFsoGdsPtYVOAJOyIFM0Db+PYeSXAJwMZFs9kwAQH5gVAlP67EcfsUwvx2IRAxEi+E8HMCAwxU3gAVY5zE8+2eDwubNnAFZ/nE8DhYBwGx2gAZxr3EsGIHIwZdDg/c1dtEMDeZYvly3CA9oaXF8FmCIPQAnVARq1qEcYsfpvZCxiA1UBCFMrePqvf6sQAFaiPF8qW/AwpyeBAlaz3EMCY8Aw result_proc0003_0003 > L2p2LAJKn3EsPESCQNOpTAdOC3EsFxxHQ7PrjAZc1oE8v2IIQWJwqApgPpE8Ap2EQtRYEAp1nqE8YVxAQLiCHA50GxEMjyMJQ5AgXAxpNHFc4wiIQ result_proc0003_0003 > LmtFkABFScEMI9RKQEB8sAp0fNE8sIuKQdJ5sAt06EEcrokNQG2ckAlq1CEs3C0OQlFhsAlIa1D871uIQOIc0A5KPWDsdLcJQyVhhANukgD8X2wIQYWPcAlFAdEsJ5oLQIMb0ABjGWEs7faKQseNuAdTiAE8zZcFQ/Mn5AFuAUDMevBIQHyXhAp9FGDsmNsGQ5f+WAprG4Ds//MIQVOofAt2kUDs13wKQ result_proc0003_0003 > LK4X2AZy6/DsFimOQRhW3AxjloDcUsjQQG7f4ANBs4C8pHUQQirc0AZVmeCsbdFRQZgcABxV64DM39VRQmLf/Ah86RE8FStRQXwE9A9mYEEMpknNQeRHwAhk6tDc3NJRQojDEBtNr1DcVbvQQTr+ABVjdlDcTLPSQy3J5ARDVSE8XBQSQ result_proc0003_0003 > LeuC+AVuTtC8FdeOQwuRABhxpACsZS6NQYza2ARUMNB8UCdNQycy1A9WmCAsFvOOQ1W7DBRzo6BcYndLQ2lkJB9wJOCs175LQFK/MB5ypLCcS3bJQQv5KBZiSBCc/dtGQHBsRBltHUCMzQoJQ6oSAB9qLED8SqMNQ9RXCBhHhmBsRioPQPMLCB9RHPC8YgzJQx5OEBx063AM2B2KQ9pdLBJyK3Bs+SfNQQ2VJB9RTvC8xVkMQ result_proc0003_0003 > LJ3fuAJT60BMwFMMQllgkA1tXJB8O0iLQ94FXA5k+kB8c0aNQXFOEAF2SZBMJP0MQRvRhA1uNbBMaPpIQqJpXARRJPA8hdoGQXKRfApjpR+L4URHQInyHA1yFcA8EZ/DQK4avA9nbZCswRqLQ9YtlABGrEAslGyLQktWoAZqEsBMe+9GQANtXARo6ICslPlIQ result_proc0003_0003 > LRjGdAVM1ECMdhsPQo2lNANQSXCMmYxQQjh45/w4psB8MSMRQsQuJ/URKBCckQcRQ804YAlGdpC8do/RQoSamAJWBGCsLEFQQFOSFAF4JxCsPbQQQ3GGNA1bH3C8rKrSQiTCiA5ETCDMWtrRQY4ygAh1AQCcRHgSQ result_proc0003_0003 > LccoDAZpFcAcvLRRQza5q/4qRu+LDSsRQvVcI+0Lqb+7rivQQ8lMc/aZeY9bECKRQGcuBAtJlj0LDcxRQwEISA1/WIzDZV5SQfbOeA55Zp+DvI7SQ2RmbA9rrGAEcIBSQNqDlAdRgE/TMn2TQNB8SAZKQOAMKvBRQuv/c/k++M/rAsrSQi5FKAV5ZK4zOQ1QQC98s/I27H9D1e6RQjl7JAN3VX3LDV2TQ5KZdA90SM97f0xSQ result_proc0003_0003 > LpJ2x+QSRB/r+47OQxkZI/K/Iq+7Qp4MQy6Eu/yLqmAccqeMQw2OJAjc6jAMQjiLQD5bX7cJSr9LMmPKQW5tE/gM867TKYMKQo/pn/QTTK9zomNHQOtf1/wASLAEkd5GQtDHOAZV5kAENuJFQwxQcAdJ5X/TjOlDQSH4SAhnR3BE/IBFQoxdp/cHEv/7O4ZOQbu2p/y8bJ8rOxhNQLH/T/IOnN/L+awJQi8KP/6aU99bBmpIQhWGb+SrAb+jkMfKQKi5p/UAdZ8T/eyLQqL2BAxodc4DxOwGQr/3C/85Wa8TbI8DQEMlg/gt94AUtTCIQxlnYA5l5z8TYyrDQxuYlApOS+/zLfRCQ1o/HANLiRCExaOGQzIsgA5uOFC0octDQ result_proc0003_0003 > LGgLW/qbPvBc2TMNQJZNw/ev7gCMtt4MQF7fNAn9uhCMcDWOQPbXcA7Z+3CMuchNQYQcG/uQwED8n45NQLLmG/sb+NDsAeIMQqnlz/I7h5DstsXNQ19TB/wl/SEMFqyMQv14r9g1HtBcL39NQwbj2/axKmC8uJxKQqkNb+Kgn8C8k64PQqNql/ywPiDs2jFOQsFvh+YXBWDcd7HKQjyTn/wWfxCcDKAMQBkJg/ISshEMkLdNQr+G0+GTsQEMfy5NQ+XGm+UgJUEsoUqKQ result_proc0003_0003 > LWQ9OAzsVJCMdbQQQcXShAXhEHCcPuCRQcnuqA/aOyBcTxLQQZi5zAPRXECMHndQQVGufAnFXRBcW9NSQrVJCAHa1vBMe0iQQewAjAPTAnCcyKbRQMCQnADLqOB8/4ySQpIxSATyNoB8Pt2SQBW2bAvlrRAcnR2RQ result_proc0003_0003 > L8fboAPJFBBcatROQR/wwA79cfAMH1hMQCMywA3fKNBcZn1JQWKL5AvGAYBMlAmIQ2kPvA3cj/9L1YFMQe5cwAbtHR4rFBlOQ+sc7AzY1h5LKWsPQuL38ADbjr8j22+QQLB8CBbZuC9jIytRQu1FHBPWppwzT5aRQttLDBfsRN/jezuSQkWtgADTpyAsq14NQ40f4ALLrpAs8IfNQhDTnAP3oQ97tPRLQltC1A7k6k8LPjnKQSw2qAvwl37rmWDQQUuwuAneTm9zmjFOQgxmABXRPz1zuCKOQRQD9A7ike+7fXLQQlGp2A3vth+jFWPRQ315GBbHVi8LWMpQQg/dKBjIIg2zBE+RQ9m+/AbDkLAECV9SQsvjGBTE9V/T78RTQ result_proc0003_0003 > LmyVnAnC4nBs2s8IQGHCmAD8dFCMoCiEQI5SsAHz8uCs233DQ0BywAblf3CM6kP/Pv/jUAzMgMCsRQSDQnYfIAzydGBcHdnCQVtASAfgFDAsOllBQWRZn/WrYKBMhmLDQRs5gAnbyjB8nXKKQGPRpAz4JdBcyRqBQaRMNALq6eC8LGgGQ/cDTAHuLfCshoP/P66WL/yJcVAMW7xCQAcqS/mwIBCs+2AEQ result_proc0003_0003 > LLfksAHXpIDsNXDIQS90xAnIRyD8c26HQ30Q8AvZ1xDcSGiJQCInABfLmJEcxC9JQmbfqAPBhKEM8ZFJQIi6dAvZOQE83gCGQY9CpA3bG/CMXQxJQgOnzAvR45D8MlwDQUyonAfluFEcwlDLQKLAvALpTZEMCIVJQ result_proc0003_0003 > LPvj/Abs2LD8SdZKQr9iEBLCTHDMKaDMQBlbJBTcgaDMgxrKQDPhKBHGaRD8ReWIQpTkFBTZGYCc4JsMQ5ZgKB7B9PCskUZOQpxCLBb+7DBsCLPPQlQsHBfIhRAMGEgOQo7zOBzaEwAc3xTQQtaW7APcdxCcIU5JQCZ5DBrQdYD8RK7NQV7HCBTk4KCMmfvNQdmBGB/BPGCsrN1KQSJDOBHAEZC8isQNQXMUKBjFIkCcwaFQQ result_proc0003_0003 > LQSXMBnDI1DMAeJMQfzKRBf2rEE8kbFLQm21UB/hLMEsQ/UNQ+iTZBvxPFEMbhfNQ/URTB/KBZEsBj7OQZsqPBbveXEs/gUJQjTPUBvlvhEc6GVIQGFPLBnDg7D8T9COQOEVTBL36xD88e4JQ61NNBbb4REMfcUHQgjRNB3jziEstwdKQSrbVB7rSZEM8rrFQ result_proc0003_0003 55c55 < SCORE: -49.306 -205.244 21.473 179.744 0.352 8.129 -7.380 -72.930 0.088 -24.901 -1.073 -6.633 -6.744 4.115 2.938 63.087 -4.578 0.000 -6.803 7.054 7.189 result_proc0003_0002 --- > SCORE: -53.093 -198.951 20.537 166.677 0.341 11.408 -4.701 -69.366 0.010 -17.704 0.000 -7.873 -12.141 -1.677 5.114 64.250 -6.046 0.000 -6.803 3.831 8.792 result_proc0003_0002 59,102c59,102 < LiSnoArbBZEUMvnJQlZ8hAvXFGEUvuRJQ+KNOAb/7IE0gznKQ+spFAH+paE0jEvKQvIggAHCHBEkZ6oEQnfqvA/wtWEU/HuIQexypAXGrbEULjkLQxz9kAf7rlEUzpzIQBp9lALLRxDUyAPKQpkAXAvF3lD0RPMEQbrSoAXDY8DkHg0CQtGXZAzLoOEU9lqCQ result_proc0003_0002 < LooYFA3/xuD0y6oLQ22qg/uAkvD0vS5MQiSdr9UCBzDkR6zKQO9eG+q2nsDk1XbIQrY/d/e2tED0bWYOQPJl5/aaenC00gtMQwU/OAvIDDDkEGwLQBJQFAz8BuDkh6pLQHKNe/SjRFEUseTOQeu7l9kd65C0VYkOQZlir/KTkIDEAgNQQc6Zm/WMYaCkpsDLQxJQCADuDMCExP6NQCVKUA3MM4CEntwJQAoScArfQBDUFBMNQ result_proc0003_0002 < LprVp/UnK9DE6SuLQSeTHARsX+DkZI+JQBu+JA17SUD0cCeIQa+mSANXVTDEP5gEQRimbAV8xDE0U+kLQnEDiAVgwbD0UNsNQbU+s/MVHCEkBnrNQ3eEFANc/LEEKHhIQLnVkAV3jHEU3qNKQQhCZAhNvREEdC2MQ result_proc0003_0002 < LZ6hCAhCjxC0r1rJQhNEFAhKBHCUM1hIQ1G81/0wiECkyShDQYzjCAh6QaBkN1CAQV1N2/UiXKBUJ6WKQ3IEGAlCLBBUt7DNQ06q0/4GBGAUaN7OQbvIH/AolM/DQ5KOQBE8BAZ6Dx/zkbjQQ7601/0Or0CU7KdLQrYHWAtrVACUo8UIQCebJ/MTDaBky6tKQhaI3/I3NMAUqoXJQ8xMWApFqoAkGNwMQaKXHAdyDAC0y5+NQ result_proc0003_0002 < LrUQH/UJ1cCU0TuCQgOCh9+YReC0cHI7POAu1+sf9DDUAT4wPiSZK/4sn/CEprTyvmCky/qBPhCkHEr8Pj2wCA7xryBEnK6AQZCq//y4buAkHEh9P/Q2MATZw6BUX7/EQqjHh+cawuCEMXxFQ2EdJ+sI4ACEJIl1PzgF6/mIy8Ck221AQsw+AAHyPmC06F5xP result_proc0003_0002 < L2DvD/w/8oDEp6j5P8IVS/4EeIEUK0VvPOoACAJWMIEEDmwnv4CYDAZl8NEUmRX7vLqZP/U5abE0r6n7Pn5RI/qKKgE0AjTAQO0x8+iA+wEUI6qEQx80y/ySunEkP053PqGSA/4jYpDkDI0AQUOba7WucKE0llVovFpEu/kMXYE0m9DBQK9Fi/wAxpEUWYz2Pbjtg/2mqRE0m9JCQcNWu/+XV0EELWcGQHqYT+w8ArEkTHwHQVAei9q/l/Ekqv8CQ68/IALGFrEEmuf7PjpTm/+mO2E0FhgwPtFN2/mtSbE0fOJnP result_proc0003_0002 < LV/tSAZEeBEkqXtuP0KPkARB0CEkvyUXv6kOmABSujDkGWA5vW3orAtj4rDU+QfAw/mXsANDfAE0Wvl4PEdIsANWkSEkcFYAQiaYvAxEwnE06st7PAkVwAxnU5EUduCCQb3fzAp/JOFkODR/P9USQAFbi2DEgfC7PgbTlA1OdSE0epYwvuG8qAt1CjD0zx18P/ta0AZbc/DUDOgyPtAFkAB+FUEktrACQxqmxAZq5OE0NHpDQxFE3ANN5lEEaAX3Pu9apAVWesEU03mzP7bsoAFMT7EkDwEEQQyT2A9Ay0E0VmAFQY/C0ARzWZFUQKiCQaKq6AdZlMFEpRm7PsK8tAdKsSF0M825P result_proc0003_0002 < LDq0hARip9CUTwj2vlVJjA5oXaCka+y+vhqAcA9TnkCUiaxEwiIdiA1twaCkpofIwFmncAR9jiB054N6vZ5LhAhsxRA05RMAwkGBaAZ9aD+DH0L7vKdJHA59QI9zrm47vQyQjAdi9g6DnuA1vi74aAFuB5C0jUZZvBZrrAh4SVCU9PDAwk79gAJdLaBk/V0nvU2OLAlp+nBkWPG6vYTybAZbXWAU76NEwB22pAJwmNAE82hAw result_proc0003_0002 < LnDOJAtsc4CEkEmEwy2f8/QBNGDEcRuIw/PpLAd9ZmDkL+RKwHZiMA9yAlD0+RvMwQEvC/EjCaDkj/CIw+u/A/Sfe6Ck2OOGwNAE3/qurQDkQoIEwjkRLAbdsyCk8HECwCPibAXvV9CE0nk9vYM+dAP5QlDkzWf6vPJhkAjRpfCUiTP6vr8WCA9MJ+CEvcABw4gI3/8CQqCEtA/JwGH9K/A/zxDkQz8Ewj5KG+4vhqDk2JzJwEsYU/OLQmC0xAyIwsFc29SnjmC0WUCDwFP1t/mCMmDEf35Aw3n9CAnWDjDkWqVHw2G7JAveqTC0vZKDwDtpTAHo97D0taC9vzCFlAbdPtD0pwJzviLljADb8AC02/m8vy3mqATjnnCEzAqyv result_proc0003_0002 < LJ+CWA12sBE0Uh1IwcsbhAdDcSE0VaFKwm9frA9YOJEkt5WLwaROvAVTCREUktaNw1lgkAdZcjEU7rAIwHInWA5ecxE0K29FwnlfeANHN/E0y6VBwcnJOAteP/EU8YQJwuCDVARKHBEUfJpFwj6VZAJ7+ZEE4ZpLwK+EoApCebEEsblEwpZfqANSAuE0E94IwKXyJAlxQnEU3mdEwkZaRAVvJJF0L2w/vlLFiAhR70EUBCP8v//wlAlVZJFEKgtCw/pDBA93LJFUqqhIwlN9aAlmcJF0jeAKwRPXIA5z/0EU4Y3Kw result_proc0003_0002 < LY+3vA9HJxD0TsHKwkw55AZXReDUV5BLw87C4Aptd/C07CWNwMUH7AxOUIDEohnPw72g/ANWLHD0xduIwzJWCBZhzkD01eXFwguNFBxHjLDUKtBBwwvgIBpwvoDkfi46veUeLBNkUQDEiXOqvsGKsAtokkDk8fgIwoRG/AR733DEskvLwVGx5AJRDzC0hHWHwlM3CBxnRyCkzghJwoTOFBlIk5DkiyXHw+uk+AhBx4DkvThDwkBSCBFMn6C0uBL9vn72HBhoD0Ckuo3CwhEYLBh9d6D0mcu/vzh4FBJ0r/D0V/41viqmNBV1ykDk+wFoPWP2IB9PNADUxmVoP62+NB5DX7CkAXO0v result_proc0003_0002 < LHVAzAlzPbC0jMwMwjWJxAx5b0Bk0mwOwmO0qAdK5pA0zOmNwNIRrA99BZAU4eMLw+Fx7AF3dUBUe15PwWWhBBNOQpAUih3Nw75uGBd9EMAUhYJPwfIYKBN4GC/zQRHNwj1gPBN1pJ+T6QVOwPNZwA1SeWCklW3KwUHcsAJkBICkSLMQwsjN6AlLwmA0qJwQwgoEABFWBFC0WsYQwHKbCBde+VBkzTQMw5U++A1ryj/T1KBNwjl3FBhh89+z4JYQwObzIBF3IDBk+q/PwAfPLBFSiNA02lfLwMAXIBlEsl8jrRRMwV1zRBF3ni8DRB7MwKxwOBBIfU7D2K0PwLVdRBZoGw/jfoFPw result_proc0003_0002 < Lan6kAZu16/TEPUPw/XygA9N4i8j2LqOwHajSAN4Yx8DA0QMwucOPA9ztd6biC5Kw/EDqAhS4m6rBeEOwAEVyABI/37rs+JQw9jU7AlW0y+7RoXPwaU6sAxEAG+bIZZRwd3PjAdj8WAEE/jQwyqoYAtCdF6jY6LQwglPuA1NG/yj2zSMwipvmAJL9n+btYpNwyA01AtFr57TY6YQwInmAB5RNB/7wyeQwHAK/AtZB29bZbnNwQjD4AxA7XAckv2Own+yyAtcUU+7KaMSwe1bpAd2PBAsUjKRwCdnmAJ7e767oNuRw result_proc0003_0002 < LjxgJAF/Uv/ztJxLwvKG0/M90CAU/NnJwNQoT+s4iv/zO/nKwvRN89+ZBQAkyO4MwaBdNAFpfqAE2h6Mw3Og6/Ax6o+TMOCIwLe23/UxRCBEkSvIw result_proc0003_0002 < LGKzJ/SMCm+TTh8IwDj4AA3rAN+jcKpJw9BnNA7+5YA0BATJwJgiIADSzNBkm/KHwC1iKAPxzDyrHQ5Hwq1hBADSPz+L3nhIwyWoPA7cPtAcFoiFwUcJkA37rvA8/wlIwbuWp+e9789zy1RGwLg0BAbS4Q9TqkvLwIY5HArbxK5jDNrDwdzybAPdyb1L1RRIwbifCALv/M/LUdqKwr4fh/y2q3+br43Hw9fYpAXybgB8V1eHwMICoAPXoi/rlYdIwL7iiAP8x+Ac8nrKw result_proc0003_0002 < LzlKeATicjAEkl7KwIrTmAPBQsB0lUrKwrelwAH/BTBEQhPJwiH/wATl1RAkxjuHw1F7oA74HICkUoaNwZNhuA3n0uCE/1MNwy4ZgADQzv/zowYMwYFViAbj2OCUnDgJwVvihAj8MNCEpBiOwnYttArLHiB0swhOw+SpqAblHDDk1MROw result_proc0003_0002 < LSz44ArzhDCUp0kJwh7hBBzHJ4BE4hOIwH7+DBT8IjAUY3EJwHveHBviyAAkiibHw47bFBbLlgCUeK0IwTp4DBnQTLDkFqJHweg0HBfbVuDUj+LIwqehLBz8amDksDqJwN3HHBfHiIEUqZXGwjbI4AjMIdCkmzyKwc2zABftv1BEq4JEw6TwFBzYIlCUnI+KwjlZJBrqGYCUz5EIwSEnDBLzeHDEt70Cwo15/A3BhUDUzFUIw result_proc0003_0002 < LcSICBrXeBAEpVVLwwWFEBHPH/8jqTWMw3ZdDBDhJ26rtORKwg4QGB/E8u+7pvWKwB8GBBb2S56TrQ6Ow0VY2ATcLD2D5+gOwvMvwArYyL6bKriQwQ5/1AXKqA7rDKjRwxpJnAXH4a77/9gQwlkl+AvGThAkr3XMwwAVIBjiRZ9zWszMwSm9CBzaoF8L7YyPwwicBBPYyV+D7nLQwIIjyAbjav9DU3nNwQzj1AfwsE9LRDINw result_proc0003_0002 < L+Ci/Avbce4bOrZIwpRv9A/3mO+ruNgEwN8FEBndO9+rkauBwOAGFB3FVpA8nrhAwXJ61AvBoM8L+lYAwwxT0AfjWK/rBv+xvMxC7ALEMv8TeNeIwH3S6Ab1OBAs86NGwDJEuAP8SZ77bYOCwiZn4AP78e7zehM+v result_proc0003_0002 < LNbaHBjzyx77TgtAwxSOMBbWun874e/6vPSNRBTU3y8rmw/AwZreVBLCWP+bw+b+v+vxMB7Zsu7TR2WrvEc/HBnPFl8jvnDxPupAHBDwJR8bFRH7PuCQCBLrlc7bru2AQIqAAB3pU3+bRhrDQb3ICBf8koAMYUkDQHJW3AX8Za+r1GkGQfTlGBbBvi7z5KNCwuY5LBnTFN/rY2b1vx8aNB3ci0+zk/91vJYRQBPKCR6DU6qoPlJbEB/NRX9jcRPPv9dtIBv4F++jgs55P4xaKB7CM987qzLAQUOeGBTt42+LQPyzPL7fABbxi17zqrCBQkDdFB3SozAc/NXBQUadAB3xmYB8mzrFQUqE0AzycQ6LQppGQnW/zATJa6/7lwVIQ result_proc0003_0002 < L4toQBbWkF67U0+FwLNIVBXh+Z5rXR2IwhvxVB/EnE/rYnUKwkHPaBj82BAsYqqKwa8YUB3DMt9D5B3KwkbZUBXv/TAEManJwaMFTBbuhZBkkMoLwwhXRBb5aHBEo23NwDB4TBn60UC0he1KwZw/MBTF6+0D6uOHwTlxYBTlW9zr35aHwXJnQBPQzL9Dso6Lw/HlXBPJwj9TV/VMwWzWYB/P6gAEX+yIwDYaRBTyBWAUZzBIwP+ETBXLItCEl8EMw9TRVB7evaC0G3/Iw result_proc0003_0002 < LbXTRBza2GAM4GMLw4jZRBn7DSB8nh6Mwz5QOBvt4NC8XrrLw1v4PBPp9yC80Y3LwcgFPBfkC9AcfspPwnGkSBzJXDAc/BsQwa1qQBb9+AA8XGGSwS5jLBD3aq+LTEOSwAl/KBba5QwL0xbSwRrPPBnNvB9zb4iSw5ZKGBHQ0E8zkFiSwYgvNBfPxb/7C5oKwL2iVBP0MmB8YyKNwLkOLBTmodAMSLaPw8CaOBbiH4Bs9UYQwhtqWBzU/aAc6lrQw+OeSBHmtE+rtpSQwt4LQBnOHCBsGydSw2ilTBTAu++rKftSwxnMIBXEnx/bQ9ISwsA8SBfl906zyDeSwZd0OBPIvf/DEKtSwwK5CB/4OP27+ncSwANvFBnENB/T1WsSw result_proc0003_0002 < Lj7wJBPLeDCssUbKwlm7FBLG2jCsjbkJw3IEGBDSwpC8H4FFwQSFCBzdR2C8r4pCw8HRAB3yXXC8YFdKw3q4+AXHiSCsXseNwqYuzA3MCBCcZVBOw5gPABDRq9CM0W1OwUr+IB7kpIB8DqDKwJe/GB3sKCDcwSgKwGwc+A/YByB8dahJwek96AjuqvC8mnvJws8UCB/RR3B8mXROwSZjyALjL7BcPdFQwfs2yA/IzDB8h+DNwiaxtArmCXCsJHONwIYU/APzN6C82ffQwqkt6AvZkUDMs5COwcQSEBDIJJD8WZcOw result_proc0003_0002 < LyvqKB/DrgCsALsCw/DQLBP65iCMlcy5vOaRJBPipNDsRN8yvODSGBzNKPDMaXYpPwQGRB/9FcCczWL1v10GSBnlGdC8fZ1yPKb4XBLb/VCcjpQ4P43CbB3FIQCsZR3gPJcIZBnGbWCMlKzAQ0F2NB/9/XCcxA8Ewpp1IBj+lJCs7Pb0v2QeSBzgh6BMOlm5vyskTBfiw0CsR6Q6vhm2QB35E8C8Zii4PA+qPBnPjECcciO5P result_proc0003_0002 < L7S9KB7WWwDMKtm6viCcJB74nNEsGsV2vNTYDBXZCQEsz+Y1v//KBBzg0WEcTHbjPg40LBn4ceEcUQq+viFpKBTre1EcDUd7vVRXNBH+PFF8G0eBwXVuMBrLKcFciFD/vRIFHB/vljFch1w/vmoWNBfB7sD8UuhAwSLALBPURQEcRv2dPyHKQBPrhcE84S++vq2SKBjOBcEsjhXDwDaVGB7qN4E8Fjq7vtiDMBz7R4E8lJVtvrYnRBHjeBFccCwBw2hnLBDq5DFsKldFwJHCOBDfQdFs26g1vDYOPBfdvmFMnE7Bw540GB7X0yFMviG9v+H2FBDC7iFMMhuDws1uEBzTFaFMUNO7v result_proc0003_0002 < L4YtABHicKEMTyc/vPW11ALRuME84/FAwq6NwADDHAEMIbz2vicqoAPw6HEMMHvpvxd7xADUgFE8TDmFwfNAmAfdrIEcSViGwvGihArVf6D8CvYKw6wwgA3UBDDMFugJwwovCBzqdEE8/M4CwgmzzAD4idEsvFH/vq2N2AXXROE8pDWIw4AtzArHHpD82wIGws9ghAffSBEseiSDwuTLkA3nuZEsSfkGwXTMcA/smwCcxTPLwHeooA7Tx3CsOj4IwBBLWAr92+C8pCwHw result_proc0003_0002 < Ln58zAHVIZDcvlCzvrLKvAvrV9CcOuHqPzbLwAvbmQDsuYr9PiKuoArOlOD884CCQtsc0AbtORCcgnlpPfIbxAH9jjB8UmX5vdeR6A3/YOD82sx5vpTsmAn8g5CsyAyaP58G9Ar85UCMETgrPJ95xAj5M+B8lbZ5P result_proc0003_0002 < LMHd5An/RjD8fT8/P4zh7AjCX2DcfPMFQM+i0A7c0OE8UmGGQyacyAPX9UEcRMVJQoFrDB3HJBEccwuFQQ4ZHBPXScDcpdhGQrsKNBD7yqDcGMQHQiSzQBvoZFD8CMVIQC+eWBvS4SDMVxmIQd/N/APnSkDMQQS6Pqqj5AT+7eDc7qIIQA89EBzJsJEsC+JCQUTMEBzr5LE8Q9jIQyrKGB7hRKDssjBJQy/KHBPPRHDcraDDQi3lOBn4j5DcnIkDQAiXNBnPPBE8vUOJQ/nfPBToL3CMBYNKQUTiQBXLFtCsLGjFQEgwYBX8N5C8zlEJQu3wXBftlfDctNuFQjyyWBrd/oDsRhEKQ result_proc0003_0002 < LrH+wAD8nYEMnUvBQsSMqAvOkrEcrjDCQ/XEdAvPflEcAN+CQHlJPAX/VzEsGKWDQEgMrAPP44Eseq45P+M81ArCBEF8avi4PaOv2ADVdQF8pOwlvgdKvA/NaQFMVlb3vGz7+AnsBaFc4oQuvTCAzAfhzSEMPCO8P2E1sAbcQ1EM30bFQq88pA/+nuEMT1wrPXs+kAvAHFFc2Wx5PgzJ3Arh6OFMERP/P9MR8Aj/C4EMpOx4P result_proc0003_0002 < L525YAHMsQE8DJVDQ25ZDArGxIEMCQbEQWAb3/yc3PEMys9IQRIlIA/riUEc+9uKQ4JeiAbKGGEc+L1CQ1Y4w/OjnOEMakXBQ6UUDA7ituDsRdMEQ result_proc0003_0002 < LGRM1+KBpQEsu8TJQrxMN+EL5YE8VMxLQlaDo/Qv2JEMkD1MQSbZt/oDHwDM7E1LQ9wtR/Q0TvE8dFVLQ+gXl/kdP4E8Eh2NQPkr//APFuEMAFgJQ23xQ+oIYLEcm/qHQ5CxG/SdHaEMx5RNQOsm588At5E8cGbKQH7gT/I4ZGFsxOBOQITaGARXE+E8EoNJQAwM2/c0dnE8EaJHQX87LAZO1jEMU9ZKQ result_proc0003_0002 < LKBV//UfHRE8F/2OQpuSPAByoDEsS/GQQySSgAtp/3DcWzSOQhHCkAJorTDMlceOQr7bZAl5xPEcVjQRQvoXKA56KUEM3lQSQQ3Q7/ElXgEspgePQlGDHA1+QrDs/dgQQWAHgAhcteEcd34QQcLQjAlPYGE8ZPrRQAuFQApL6fEsz9wSQ result_proc0003_0002 < LzzajA1h9JEcRxcMQbOsrAVfuEE8rCgKQvveoANmBjDcQpzIQlkSvA1cbKDMuy0HQwH8tA979XE8jXsIQ8aNzARyyqEs5uGKQFsy0AdGy9E8MXTIQ6w4wAF2U9E84DMEQhf65AlQxMFsdpIJQBo9fAJHlYEMLXZMQCQAzAtPqAEct2kLQ9zdmAFKndEM6xoHQkLJzA5lFTEM73GGQT/96Ap6ulEMTx3KQYhRuAxmevEc0UzLQ result_proc0003_0002 < LMvIcAR1BeDs03XIQ1l6TA5eY7CckKbFQ7f3SAdSiRCs9NRIQfglXAhbteBMcLZGQKGY7/4glGDs6MRDQEAg7/YhHuDM1ha/P3jUIAp9YtDsPcp2PMDdm/89UGEcgPEBQN8uRAFCxyDcDyNJQF2ueAlG72CM0EDCQqzll/ABIMDcSpmGQbX3u/4DqrCM1m+AQ result_proc0003_0002 < Lr2pMARybUCM1czKQ3SwMARR2eBcLFlMQH2qhAV/T8AsVn9MQb7ZjAJXhd/b3o9MQZF6CAND71BMBJRPQ7/uHAp0AxC8NPhLQVFMDAVklsA8v2pLQrRGDAhbA+As4RSQQ4K5k/A6eFC8XS+OQAoGMApRpUCs39FQQ result_proc0003_0002 < LPGVpAhiV2B82eSNQpkf0ANn0dBsXSpNQfc14ANfOxAMnbKLQ2Os9AZY3Z/bYEWLQJoU7At8OWCs0ZSOQuZlDBJYxMCsb4qOQO0xGBlv2zCMmKZPQ2KaEBphrUD8RO3PQsGmLBBd4wCcQeePQhlXnAhZhaCcHjSNQlAA1AVlLxAcuRUPQKWY4Ax3RlCMUlDQQHXk6AlAktCcIYrMQtVLFB1jq+BMss0MQ3GCEBl1upB8qpHQQ result_proc0003_0002 < LmsD3AJqPYBMRB2IQFL66ARp50AcUVpEQzY22A5z5z+LLA0DQ4WC9AxZg/7741kCQ7WY3AB0hsBcEc8/Pb/o7AxWxQB8q0LyPMQL4A1H6FCs9VNuv8FrsAhlVECcm6eyvHJ1lA989jCMJkhqvracpAlUVHDsN1KmPaD+WARVcfCMag/wvVr7yAVU6HC8480IQyG0BBRlizAsv0vEQB095AByGXCM6PpAQuEruA9y2sB8uIe/PJ7r4AF+1QA8Vb5sP9mLCBJe+PBMPTkyPrrG8AZ+I6Bcg0A7v0/V6A5YmmC8LQijvO9lpANpPTBcoPn4vxiWxAZtyKD8XYysPVNUkABbCfDclO6uPWXaRA52PECcQ0w3vZAuMABlI3C85eKqv result_proc0003_0002 < LisasAFczb+rY1fEQu7gnApfRD3Dpd1DQMkGsA52yM+j5KzHQU9kuAxOEPA0YtWGQx6xWAZ/JBvbBgeEQ1KiLAROUC9bVP//P/gwd/s3gB+7fRTBQVUTr+IL2m8TFycAQL0wnAB7OAA8gKgFQPMTpAd7Cq7TMIp/PWrCTAZCIC8bXQHIQNB7PAJs8+9z6MrEQRZJNAxHdP5bvdi4PJeCTA5S6d/7E/6+P7gRP/am0o8TlPIBQZ+uU/M7so+T3oTDQxmED/w8I+9D2Ky4P result_proc0003_0002 < LxDOtABM5s8TsvZKQ4WkxAlRfE/zNdfMQd138AR3w+/z4yzLQmqn/ARkQKBU6dJMQL/cxAxWdQ9Tl/KPQ78/qAVX1I6ruo3KQGOisA5lCbAUTYoMQrSu0AxEC8+jcwWQQnXQpARz5L8TTCsPQfpS2AdVi12bWfCPQ result_proc0003_0002 < LC4sBBpRjH+jPL2KQIkLHBlzNv+THFEKQUoTHBRLHWAkqAdHQO8rKBt2TPBkitPHQB5KKBVz6M3DEDTJQagqLBdUpM9bwfoLQlfrOBxQu//L9/uKQea8PBJgt4A8Ls8MQQhGUBZSHuAsjVoOQ/fWXBpYYZ/bF1UOQ/d6UBdZflBMbxSQQgjWABB0Ol3D5tpKQfXNJB9Q+p/zFywLQULvHBlFR57LXT2HQHi2NBRG/56TCVQIQ/MKOBxi165rWSCNQ1gCIBZIKR+bWSpMQNsSMBBrZjA8XeSJQQzaSBZy2X/L5hzJQwFiNB9IzrBcyxPNQiyuWB1FuE+bqH1MQL7daBV2fJ/bHglPQXiaSBdl5LCscRaQQ/xBYBpajdB8eF7QQ result_proc0003_0002 < LbnmDBRx2KAkvOtDQfwXDBtq1AB0sS69P/IMCBJjxOCEZFbAQpxHEBFkasC0kto7P/cd+A1EPfAksbL0PBALBBBmFl+zq208uSPAGBZmSF+DC4GcvK6/6AVEuK8TRxAxvlP4ABh5X3+THXKEQv5RHBNDt/AE9zB6PUKN3AFJyNAkL8a6P82V8ApmkRBEgv6VPGcH9AddmJ6LVRs4vIeRzAp7zH9DuR6uv result_proc0003_0002 < LQsA+AdX1UC0WEnEQf136Atel/CERxVGQDYDBBR5vPDEU3ZJQbHJBBVm71DUVgAKQaRRvAR7u/CUHzIIQQ6itAt4osCUcnhLQueR7ANxU2BEEdpGQiWj7AN7QVDEOP8CQBSFsAdYKgDk+4BIQjsbqA5dvrCUvXpFQ result_proc0003_0002 < LyBCEBBrdyCUWEoKQucBIBlOL+CUU1nMQVtjMB1X5XD0BCYLQTwPOB51j4D0KmdMQHQRKBVjGWCEDe+NQXCYOBNyEfCU34EQQ07QQB1OVuBUlTxQQeaYOB5WhqAErsbQQgJmTBtiL1BUt7oRQqKhDBFQSTCEPPKKQwoGGBF+CSD03wIOQChAHBlV6DCUlx3OQY6JMBl1sBCk5teMQi5zRB1eHvC00vQPQwnnMBNAq0C0i2zQQ result_proc0003_0002 < L8FhOBdZ+ID0toFJQhJvSBtMXfDULDSHQ+tZSBBwnWDEFBTBQC4wRBRDszDUZ8c8PbrxSBRuqyCELoT/PFKLYBh37RDEhJsIQOmScBN4VmDkXsjGQd5CNBdaatCkoQVIQ5pPSBNd1AEE086HQoAeYB9U2ZDEaqzKQItmYBlHYvCEVZgIQ/ZncBl7LBE0yFDIQ result_proc0003_0002 --- > L0kLFBZfUTF0nQANQ2Ku+A1JaUFU6K4MQPmm5AFDtFFUQW8OQIMg9AdaE0EUndcPQZ806At5uOFU6SFKQMKwGBFrGdFUaWoLQtbaGBdZyXFEGr0OQg+XGBdjUEFE9TpMQZxT8A9pwkFkFnVNQmyHyAlgnPFkOTBKQ63L+Axr9ZFkdDpIQcNY9AhIk+EUNQlJQ result_proc0003_0002 > LfN2wAtCENFEtWEQQ56LrAJImAF0M7ERQXcJlAJg/tEEIhcQQyJsjAVePtEkQUdOQNbijAhZ/QFENisRQ6MbhAhVdgFkj6lQQUw/rApTgiF018wPQMFzwA9zJNF0XkEQQvG9wAh/u6E0Ap0RQW+eYApx8IF0dODSQ5kSnAFVhYFE7okSQ6gFWAdLYaFEZ+3PQYKLdA1TxvFU9KARQGfmqAduFmFk66oNQfVwwANRPvFUcrWQQ result_proc0003_0002 > LgephAJp/eEE14RRQ9klYAhdwLEUFDzQQ18VGApuTREUnrsPQOSxEABieIEErZgNQAR0PAdCZ9DUO+9RQLdJ//QFMQDEbPeRQaZuiAZJ+gEUidRSQxCHiAFMBCEkloQQQ+aEdApAaxDExfkSQqnIGARK+IE0/5mSQ result_proc0003_0002 > LMDKx/Qi/fEECuRQQrOyp+cpKlE0w1DPQavXK/YfSuEkrNUMQ+FD/8uk+pEkknWKQfPEC/ioH1EE26TQQKsol/2N9rEENOkRQbA8BAD31ZEEPiRRQux8PATyqcEEZidQQbX8+/ymJJE0UU3RQp/M3/8ZxnEEkEJRQbDHf+OFgWEE7XxOQV7do9AdwCFEJ7mQQUmgq/i6I7EEHmVPQcCOy++nNmEUS4OSQCP62/Oqq4EknFFSQ result_proc0003_0002 > LoAV3/E066EknPMMQLwpCA9chEFEpnrJQhRHMA9PxzEkv3nHQkqAIAR2+zEEgqzCQbVKTABtHWFEuINKQoVfZAp9LiFU6FXHQ3IsLAJubrF0l34EQA6BmAppCiFkWlBGQf/AEAxe89EkfP4NQoilp/s7oLF0vzsIQRMuMA1XhhFUqVpLQ6CwgABTGPFEaYFLQ result_proc0003_0002 > LgDzYAxwQlEkGw7IQBrghAR9dUEkBnuGQYjdSAJ8XGEU+f+DQHc2UA5BwAEk+zl+PaSsoAVbsGEkBNKJQdD+yA9qeREENAKKQfRB4ABo0DEEDuVMQTfo6Ax1jUEkkcpHQWObbAFj4lEksN7KQRUcmA9Z9bE09XqDQSoGkAl6yBEEv/5KQjp/qAhdwwDUJkDIQ6rBxA9LAhEUokBLQxoU/A1NfLEUrEDNQQUbyAR8ICEUD7/NQWy75AlbJoDklaiLQx89ABZPPcEkoDiIQovl8A9zCFEkFX6FQ+432AVAneEkbqnEQ result_proc0003_0002 > LEmqBA1gtAEE3S6GQu5dh/wpSmD0vIxEQTF0v+weI7DkQ/6/Pb6oz9UMDmDEMay3PKBPA8kWbcD051iIQ8Rw8+kwo8CEL+pKQTKnK/WgxvCU7IgMQJYFg/22XTDkz0dOQOVS6/+nlDD0w5XQQGYmAAJE8FEkeLXJQ1irv/MNRID09jbDQ6r2i+Wh85DUWCkJQNmFZ/GlgPDUOwOHQ+3gX/QvEgCUCdrJQC4qo/Yh9KDU0+1LQqYpx/2IboCkxGULQw8Ix++zOTCk+vnNQLpAq9yhMhDk9sPPQRbzx/eCfsDU23bNQ06XAA/EHcDE6//QQABALAPFO3CE6kBQQg07p/qKtsCUZv3QQ result_proc0003_0002 > Lmig39M3USEk6HZAQqedC/ehMeEEehL4PPKgx+0/jgE0NObjvjiDW9aUWfEE32m6vN6be/aDT0EUPtH8PhyBCALx7zEkUtCCQX+CWATkJqEULdj/PtW9cA3uFxE0zBd2PQJceAHltbEkjsNCQ4dRu+8YFaEEJfyDQKcht/CLWVEEOnQzPgaxB+qlT8EEnM7/P9I/o/abD+EkqjoyP5hV6/ad0qE0ocjFQfYaFAfKQEFE6IUDQ result_proc0003_0002 > L5oc1/Ml8jEkPkzbPJOqKAFT6lE0enc3vNVqLApirREkEDg+vwyeOA5ktSEUxeHEwc4UgAl2ZqE0V8CsvlJFiABtVBF0hNUaP5YysAhqOEFke1LzPP+ruAJuVaFEeFr4Pz0GzAdDRpF0WcGpPwDC2ANCOkFUo0A3vyDg0Ax7+8FkilqzP+O1+/4LMlEEkdc4P46LGAlLRzEUfs38v2aqhANdBgEE2WbvPdhdmAR1smEUjQ74vZlehAJXEMFk2Wa0vrgCYAN7mFFEk/F1P0tYtAViT6EUh9u8POe9yAlli/EkPuIEvJjisA9A1eFUCnEAQP290AVcJVFkBdO6vLCW5At+ZvFU5RT8vMFQyAhqbAGEFsW9Pj6z3ARPFEGUEyUgP result_proc0003_0002 > L8dVJAtyk+DEmIT5vp/EJApGpVDUzR5+vw3Ks/EupSDUS1PDwvlLw/AXrCDktGuHwX3PIA5FswCEHKq1vS9mcA99upCk/b0MvEkRYA5TtICE2Wf4PqAWnA12SbCE//A3vqBtHA9k++D0ulFivRQuXAZS5SD0zSyBwu7Q2/koe2CUQeQiv9R9EAZmHTCkpnJ7vOoigA1nmHDkot2uP+vXjAVSxDCkp5M9PjifLAZlIUCE0Ms9PA4fTAZyJVBEHXoxPTRluAdAYWC0s5LrvlqHlAluz6B0yra7v9V0oAJVvzCUOVj9v result_proc0003_0002 > LohXa+sZHiDkGMcBwvP1e/uUjhDEWesEwgMDT/uXZ7DET35IwNOIq/+5wvDE09ALw+6uCAHl0yDkImgBw6B2JAbKOWDEDS05vMt2bAXyyqDk6TytvRthgAjWCRDUMjG1PiSmoA773mD029Y9PPHaQ+kSluDUbsb7vp5Jm/y6iAD04V1FwyaZ9/ClCJEEpdt/vplXQAzUM3D0uGLEwQ1XPAjrn3CEMS+8vm7r4/exTQDELmAxvy0LXA/5iFE0voygvW3ElA3W4sDkdYa4vrZnjA/jxxCUUpgwPrwgSA3BPMDkukN7P5HGqAHA0UD0Ej9BQtGwlAnd2BE0Ubs/PYrbvAjT9qDkdCN5P result_proc0003_0002 > LYqNZ9WtQPE0W5sIwxlYw98jHeEE9e7KwZ5Vb/EmUUEERtKNwk/fd/MymcEENmZPwEFzO/AKCzEk0v+JwiP0H+y5aAFUJ7JIwuJoD/YjqUF0XkfGwWFyo+W92hF0a6wCwCNCw+o0g1F07u3AwW5P1+ooZSEkfx6Fw6nQZ/OLphEEcCvLw7i60/A+hvEUUz5IwTUmf/sP08E0dStLw3kIi/We2EF0S+NJwh6M3+21C3E0IjzEwmKRv/03YQFEdOaEw8UIU/0iVeFklF/IwmWYn/e/fmFEK71EwsAIG/uDPYF0Dmm+vCEsc+O1y9Fkyz08vL+2m/scYxF0gPv9vq+sH/oHu+FkftCEw result_proc0003_0002 > L+hJz/I3oCEkQljMwJplHAd4SwDk67eOwpkr1/IWfdDkvjZQwudUDAd8HXDkRhfRwIphUAJG2MDE7BHNwmHdiAhZ7bDEx2BLwkienAZcO1C0p4qJwx86qARjT3D0L8YMwOm+v/Ecm4DktVtKwA3oSAZ2AEEUvHSPwoHdJAB5M3Ck/HHMwkYIdABE36CEtvoOwmf1cA5pwuD08tfJwoCTtA1Z8/CU7OMIwN4QhA11jiCkijrIwhGerAVedhCUfVKLw+avwAliBBEkWQ6KwHH+uABUfkDUb+6NwaPInABygJEkYDUNw result_proc0003_0002 > LF0Yz+ArpUDU4xJQw4l+5+eJfADkIvJRwyQTC/O5TQCU937QwYqUm+kWN7BUcuPQwVznW8s8FcDkj+fOw6bcu/izXODUKlGRw3qGf968GHD07dJSw result_proc0003_0002 > L5Qjx/Gqv4B0D2hRwqBk5/iYwdAUEwURwKejLAfwM0/ztmZSw0l5XA/xVpAknzATwaGSGAbzlOAUy83PwkgdbA/YA8AEMNYPwKIPhAfICABkEY4LwB1mPAnamGCEsbrKwqVkCAXiKNC0GyISwqwaW/ucb3/TzSZRwaB2IAnmoU+z6zkPw9V91/qnBkAUKmWOwMNiaA/GT9B0WSEQw1OGkArR7aAEdZOQwnL7RA/dWLCkUbiIwj0x+/GXO2Bkk7CLwM1/RAzn4kCkJHuLw result_proc0003_0002 > LX2NKAnX4Z8z/CoSwr/XZAXVz127mjfTwbFKnArqQ967vBxSwbL7nA7+JJ5LJRjRw0PxPAXFux+bmh/TwTUVNA7gnTAsAf8SwdYy8/2diT2TB2LSwD6zcAL3NN8zhYWUwr8DaALONo/bTywUwfSRAAT4RY+bhvcUwv/h//2Y8uAMpqFTw result_proc0003_0002 > LAbNvATL3N9bkEhTwWob5A/d9Y+b+u7Swe+D4ALMdWAsRM9RwLnk8APNwVAcDK3QwsdrABLW/K/buDCUw3DFGBD/REAcUPhTwMXQJBfOe69rHk2Sw4vOIB3z5t4zP/HTwWotMBb/1l+ridESwrVOuAbVgd97/GhUwM1q8AbFEw67unYSwMaYBBTZB78LS1rUwWh79Af/XYA82HpUwbgYIBbNcdAMG1WUw4+bFBjxP4AMw7zSw result_proc0003_0002 > Lc5zxA3DQWBs34WSwk/kvArP1PCMRIgRwC13pAzNNCC8SaOQwbiHsA7gwSCcDbSOwqRzoAfe0wCsxFQSwYYruAjL8HDcuyXTwqtpnArWvmDcXyHUwyrbcA7NfnDcAR3Tw2furAvlj9DckD9UwnVhuAf60TBML4RTwVFK3AvgoeC8FTORw/H1hA31GhCcs1rSwpc5lArw3ID86NjRwRlZ1ADWfZDcul8SweE3xA30TwCMGQEUw result_proc0003_0002 > LgzeiADc4HBca1WQwW5UZAPwOmA8hlaOwat1hA34Op+riZXNwojXZAflVF8r8wAMwG0CCAzezTA8G+JPwbmel/ykByBcv1AQwIf2gArDlwA83sRRwxqkZALEMWB8iR1Mw02iBAL/4P/L4NbQw1BK0/6ozo/7d8eNw result_proc0003_0002 > LX0DsA3s2R+rv2/Nw76pyAfxnZ4rOYoMwqBv6AfrbR9bEGyKw7kp8AXUb067TfjIwlOj4ArEc48T7SpOwpzU/ADpyp/DNTbNwbU7BBDWMuAU0lgPwNlOFBfNVxBk8vWOwOEyHBHyCXC0Q0xPwLLYHB7CpXCkUyMRw1dsKBzdP0C0+fiOw7DWvAvDrZ/7CodPwO9ctAHCe57jElbLw6HzyAjTCY+DlO/PwS6z9AThTI3zR92Pwey9CBXscx+zprTMwuSa6ADyVbAkIUFMw6bX9ADXUMBE9zTQwzTZEBXw8IAElCcQwdooFBHSgyB0U+VMwGsJFBDnUBC0fGrRwYsSJBPDauC0P6uRwDYALBvCyzCE+fhMwm6mMBjp/KDEYtmPw result_proc0003_0002 > LJQd/A/Jw0/b8IuLwtADDBnfkwAcpfBKwnlf/ADtUaBsZ7oHw8ZwBB3zBrB89FRDwkB2FB/xZ1BMCesLwx5BKBP31SBMWUnNwxIiMBnrVMCMF0TPwOCMNBbovwC8gRaOw9z8NBTkcBC8K44Qw/Bb+ATWeKAs0PqNwEeFGBzzuIAcQAFJwhT4CBTjMMCMsG3MwE8yHBfglRCcRuXKw+TMNB/09zAs3wdMwcOJIBrsmkAMpm8Owd1nPBXPJXCczqfRweOWNBPwHHBs1oNRw result_proc0003_0002 > LnzV1ALJDrBcyGaIw7Z4tA3TcFCctEzEwALljAn4yWBcYLxEwztsgAj8LvAMUwYIw5ZPrAPdR0C8SH0FwaLs0AvqsSD8SfXFwjQc4ArT4WDczdg/vS+jABPRm1DMv/h+vupyFBPc2rDse+c/vvvQHBTZMEDsxxrAwEXcJBLCFFE8cmb+vxQuyAjldhBMo5SKwc3oxAjztCCs0F4AwBS5nAD/y3CcY/5IwlULlATp2+CsYT+CwLeT7AXnuGDcpMyHw3PWyAXDUyDcr7yGwPY2xAvNnhD8CZe6vCYT7Anl+3CM2iq8v3NL/ATZOKE8voD9vOGeEBruBtCc7wEBw5jLLBr448CcN4BBwSAUIBb4UUEMyV98vLCXNBTabBEcuxH/v result_proc0003_0002 > LJZHcAPuFXB8ujOAwzJ4IAzbbjA8+tG/vy5as/+LZIB8M1tCwUMet/WuPJCs6kYEwNZ4CA7JwdA82K6svISvTAzt+p/LjCMwP7z/LAjcNw/bNzo/PaC3XA/BXK7bdi4YP3olgAvcD8BMTBV6vt1HMA7pVG/73UCBwD3g//eMGeBMnxqQvl0co/aL2w/7Vh7pvQVShArtgZAcu4cuPPk+XAfKT2+b24aCQtgeJADAf6AcLOABQkyB6/ec3p+7l/KAQCS7hAjsiq1zMugzPcnCJAju104TqsWgP9VpdAnhXI7bh+V3v result_proc0003_0002 > LqSwt+iRVUAsr6hDwylbU/kcovAMsWhGw13mu/Asb+BMdz/Dw5bxAA9LuZCMFAxGwnk/6/AaDO/7Wp0Gwzu1u/cPr27LCxTJwtqvy/QWbe9rRDNMwyg8JAlIMu+7Bg9MwLVEJ/kwFs8rgSqNw1g6x+GHmw+7mbCCw0bpA/o5OAB8oWSJwN1e//U4/W+LFv2CwKm4MANyjAAMcoDIwB2m3+AbC947BS6Iw0orBAVtiA7jrh6Iw result_proc0003_0002 > Lm3nq/A24CCci3c9vakU9/8irmCMF9N3vYu3b/kV0LDcPVg1vdVmm/YBorDMIM5ivTewFABDeYC8FoMuPevBYAVmcwBc0pYuP/EtcA1AuQBcUN3+PsHhoA5nNbA8tHM/PnCcoAp8as+7K/91P64bU/0rmYB8kPY5vu2pMAZf8xCscn/7vlFgw/stIKC822f3P7t2KAdnT0CsnaJ4P7ANjA9PIHCsBtITPDH1TAxmA6AsVRcjvEpVPAFG8pAc4F2AQiAkeAFFpDC8k4GCQwKXpA94b8/rEIiDQCPbvAtHSEBs0sy9P7UTvAh8KR9by862PvsznAR38g/r9cCUvtvJiAZB478bwdS4P result_proc0003_0002 > LFMgU+aZlHDMweG8vzEkm/WphpDMRBU8vVaGs/6fa7DcpCyDwLccw/uqDREstehEwXTnIA/E8YDM95B4vMmaIAruaNDsrRNvP3l2gADGZ4CMUnW4P7t0cAfD6zC81gNDQcbJx+GWJsCcm+DAwtEPX/yIyBE8glZ2vxWVNA3fh8CMQMf8vhJ+UAvwFxD8BrQ5vZGoEArXxpD8kYg4PGHL4/W/e1CMC/kyPmZhlAfiSnCcFzLFQxoCZA/hYTD84+1EQENZPAv1TeCclV5DQ result_proc0003_0002 > L+t6r/m+AfDMoLvHwnSUy/C7wrD8xRpKw9xvk+CtT9D8O52LwUbGm+eFwHEsIpCOw6Y8AAnk2FDsRJUMwX9vY/Sv2ZCMn+eMwyWOn/6ly/CcSA4GwBCUFAXaYCEshEtKwbEOEArWeQDMmdWOwA34PAf5v5CcFCfLw result_proc0003_0002 > LFscU/QCv3DM4bbKwjP5BAp4QDE8IJYLw64HNAF9zQEcMPRJwk4WgANISQE8PmBJwu8+PA58hgDcWYKMwc9nHAJVsGDs7hhOwAu7UAh6jeCMgG+OwAQzMANrCFCsvVrQwqBOXAxbq0AckbxQwRQmQ/Ai3oD825oIweY0+/UfQNEM00INwEtkRAli5KD8lndKwns9fAVo6rDsQ3qMwVXIIAZBSaDM/fKQwiDKu/kjd9C8iwJOwuRRUAFIeKC8eCMNwNixiAxhfnC896UPwmX8PA1luWC86DmRwXtI3/IchACM6nlQwDfZRAJb5UAsCtkRwJ5JUAxIySA8lc3Pwy1ljABkO8Asl/3Qw result_proc0003_0002 > LmOmAAli8cEME9fHw3QJJA5BhpEM60EDw2953/gar9EcSIKCwh5KF/Ehy+EMMatDw4muJABnHcEMiF67v6S8VAJNZmEs231qvlDDmA9RZtEcdjpzvzObtAViahEsNTLwvshInApEw+Eszk85vCcfh/gcedEs8vIIwRpbZABeVuEMysEEwahGRAl+qME8mYl9vs43y/82EZE8JQM5vhaIXAR67aE8cWVvPHs9MAp2L0EMjG7JP result_proc0003_0002 > LUbwFA9NmNFsOaQ/vnc22/QcQiFcUDo9vAcNW/s7GiF8uVbuvDaOM+0l1xFc2oMhvcLwUAJ+ULFs/6d8vKXRj/IKImFc5aSCwrvkHA9MsuF8cx88v result_proc0003_0002 > LYrmX/M3PQF8+2noPatuK9c0rNF8pOr7PtV5z+u2i2EcF+B9Pda6j+sDunEcJ/k5PIXuS/sdDVFcL+4CQ3Hat961LUFs2FaHQ4d7//4EzGF8bO7DQroKv/wlIEFsjHAHv+TaW/yYjXF8LXx6PqGJk/gMglFMyRXCQ2cmt8g23gF8z5wIQ0rQIAJ3PMFc3mgHQmpzKAVSkHF8rDhAQ5mU1/ElW2E8ajfEQ result_proc0003_0002 > LcT6x/mTjzEM3fCBQNb2AAL5LeEceFTCQD0j8/KFNZEctSHIQBz5CAb8bHEcnWAJQEfLYAnKMcE8hetAQH4diA7XdqEscToDQcJwBAnLaAFMDOHCQc5Dv/2bjSEcdwBAQ9BmdAHq2LE8jJaBQWc3ZAT8afEMEo54PNCveAXhKrEMZ7IHQ result_proc0003_0002 > L1Xwt/Gp/oEc4joJQNPps/O3UnE81piMQAue7++AbVEcrPcNQhekX/+bGHE8SS7OQZRzc/uWj8EMh8xNQRu3b/aQt8E8ZYaQQGleG/amSSFsgE/QQOPls+OZugFs8TOQQroUG/aOWUF8m+LSQgr/i/OGg2EcYIwIQLyZGAzFojE8YBQNQC4oz/qjUJFcmSHNQul4X9URdAF8GtFNQGUIT+akIxEcT0wQQ2aO9/Smt3Es3rxQQ result_proc0003_0002 > LJQGS/MjUWE80IiMQB4z4/oLPGEsjTQNQhF+r/g9XgDM4BPMQ4m5x/sMOAD8/6mNQLuYSA50RME8qsIMQ0CYcAp4UfEsdRkNQ8IvUAFU+kE839qPQcfxlA9yCoEs9piMQJKnh/4ZdiEMB+TLQll96/40gFEcRfbPQ1y6QAlYGQEc0CBKQizLdAVnS9D8JwTMQ result_proc0003_0002 > LwmsU/USEfDMyV0JQhV32+EXx2Csx/kIQ8wJJ/6uLgCscDOKQX2LH/W8RyBcnniKQFPKh9qyc+CsSoeDQ+YKL/A0s6D8vD0IQuDup/4NAiCsOdgIQjkit+CSEgCsdkrBQb12O/sW6MDs7ZHBQi/Gb/Su2TDcGQkDQ result_proc0003_0002 > LSB5y/K094CszVQLQIOBLAvZRnC8Gn0MQp0IDA3DLWC829fPQIafJA/QEnBsUlLQQJ7RcAnLOJDcr7RNQkYqnAP325C8uq6OQ5N7tAvbKXCsXwiNQKoosAXj8RCs5/KLQ0nA0Ab91BCsdf3OQcXjx/Sp4YDs2w8KQvACSADpuMC8pctLQ/6IhALkdUDsI3WLQr3TVAP2okD8NwTOQaB9sArI5UDsFBTPQgLzkAbqCuCM6xaQQ result_proc0003_0002 > Lzqhq/ujquCMX1ZQQNr8R/uUBiCcogsRQtlhV9KeouBMzYmRQFsHE+GBW5AM1IgSQ3pbN+4t9DDMj6NSQOOm9+mYotDMAQpSQ1fKB/YfrGEsYkHTQOBEl9aQtbEcdGUTQ09gP/2FzhEME1aUQ70eZ/qbUUEsUpaVQs8xn/ewU1E8bDgUQerWh/SFxKDclZ/PQ2STz/mbseCMx0ZSQSiQa/40lLDcmqcRQiIKO/oya3CcX7ETQb7zl/eaXnDMCPdTQUZkg/ubb7DM7GzRQVuIq/oDJIEcbfYSQgV7b/E6YBE8mXEUQMB328IUhmEskXkSQDF/A/WLZFEcupWVQoyzs/Sl4YEsppPWQts8j/yHs/Esv+uTQxv13/iv45Es2BVVQ result_proc0003_0002 > LfPwK/kT+hB88DgQQ34ar/0wRRA8nMQQQ8Txw+gZ3X+r7AoPQaEz3+AzLh1bA2SQQJqLHAB8ndAM28ZOQB/LaApHkSBM/PWPQU3snARUGXB8y95MQZndiAFdbSCcf/nKQVBYP/URvICM97oPQStN6/ECT4/rGuLRQaScAA95+8AcqvpMQ8QMNA1/o++7mRxNQnqSgABFL3Ac46lQQOU9UAlR2JCMadxPQlXIoA1dWXCM3w/IQQJLhANylwCsOMrLQuzwVA9fDHC8yA0JQ result_proc0003_0002 > LtFxA/CdCF/7pdyNQbpWt/GwTR8rydlMQAyXEAzYmu3zQ6sOQ3XWJAHDtm+zTteOQgqzEAXXte+LqNgKQRWKE/qcXgAMdfNNQTKMU/ajHL5j+1mLQYDiPA3FZA87d4nJQB3o1/G9TW/7PQ8IQZhMOAXinBAMM2cLQ result_proc0003_0002 > LnBbKAbLTj871IYQQ1RfXADm8U37fedRQbpyLAHKnA+TBONSQUDxVA/Ims/Dvc2SQhKidAHsXa+bdHcSQ+/JnAnXpLA8xg7RQ7QOpAjySRBcQE6SQcS9wAXscHCM53ZSQt0x0AjU3oCsY+GTQrzgxADTWvCsI5VUQO1z7A3BIDD8O4jSQ1i2FAH3lN/LaFaQQYlDjAjKne6DrICRQcjVPArlCk/b1usSQUt0hAXx4C97d7WTQHCpuAzuVT/LrKwRQo3ZkAjNeoAcI4/QQGayhA3SHzB8agHTQQxWsA3DD2AsRJ1TQJMqzAzsgDCsyXdRQV0IsAXjRbCMHuwUQTEY0AzBZID8Us3UQ2jU+A/6I+CMVMnRQP/q+Av2JcDMNqFTQ result_proc0003_0002 > L9kKt/Wud/9DPZHSQ7wsF/mJS7/Doc1SQRd969AQX6Ak263RQu9dc+O7zCCUTzxRQyst1+A3Pg+zO+tTQTZVZ+yyxN8jHl4UQksTE/+wzX+j374VQ7ycy+GgF98buOxUQr1jd/K/wc6TiGiRQy8qn/i1YkA0h9dTQN55d/kNXE8DXHITQRZnk/Eaj8/zUMGUQJRUU/Ogtg+b34gVQ/x0z9Kmya+7RA8TQ result_proc0003_0002 > L+bjj/EaOZA0qaKRQ53NAAJj8OBURkYQQxCjJAdC8dAk8AaOQBcVJAJvVe+jTQXOQXycSA5KVwBEzmQRQ+MAKAtVEdC0NJjSQ/m4n/8gVy+T9WKRQ/7au/8BvCC0YJAQQqceaAd+n6AUOfvRQLhOeAJLXICkupoQQ result_proc0003_0002 > LD+uRAliANBkLbcMQoqhcA10ImAE8XKKQR5QmAxD0jBk5S6IQeUQkAxEYYCEdfvIQNjLMARKzJAUs/DIQjAWVABqKj+D9itDQp+sEAlGgS9zC5h/P64xk/0LVV+DzAdAQbAUKA5lTG4DJFH4PGpcQAhDsGCUDSiMQXeoiApd9b/j+42KQSFp+/c7rM/DbHCJQTjEFA1iACBUVEQGQDR1gAtaoq/zBblBQnv2cAJl1N7zQNhFQ result_proc0003_0002 > Lj9VvA1BmBBkrRCIQ64e3Ath90BEngZFQxd19Adng/A0rgaBQJ249AlKmSBEF6h5PIMZBBxHUCAEuL7CQNN/+ABHBOC0mrvIQ7DgDBZdKmCkUa/GQH8owAFhXCAUMYTIQqwgzAFmMUCEoxNDQi7c6AxQWiCE7tGKQf+TBBJkYpBkBx7JQnPCFBxiy3C05l3IQ result_proc0003_0002 106,153c106,153 < SCORE: -32.963 -184.284 20.851 163.747 0.341 8.337 -7.402 -53.051 0.445 -21.989 0.000 -3.489 -6.703 -1.389 3.290 59.209 -4.757 0.000 -6.803 0.684 9.786 result_proc0003_0004 < ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]PC[CYS:disulfide]EDLKERLKKLGMSEEC[CYS:disulfide]RQRLEKMC[CYS:disulfide]KEGTSEDAERMARNC[CYS:disulfide]ES[SER:CtermProteinFull] result_proc0003_0004 < NONCANONICAL_CONNECTION: 27 SG 19 SG < NONCANONICAL_CONNECTION: 42 SG 3 SG < LhWAIB9sXK1jWIhIwOrrKBlSpK+7OVhGw5lZQBpaC78LsN9Ewd4/SB9XPu2zntkHwDkoKB5TcSAMFnHJwnNREB5uVW5remAJwwA6HBBAnR9Dn2eGwJKAKBtBIi6DWoKKwomgIB5+zq+LvG4CwYZpMBFQCIBs1uJIwSygGB9CIkAM7SkJwhHtMBJVgCA8k/9Kw result_proc0003_0004 < LjvVSBNdzs+bRGrAw1HFPBhz7QAsYWB7vlnaLBBGmA/7yhqtvmZwHBZ5JFAM6oWiP+lQTBpioFBcDn4xvhgsXBJmBIAMcEmrvxa5XBBTIj+rq308vPlYSBdQwv+rB1eAwCmuMBFpv5As92NAwDcgRBdMWfB8oT2pPQBhUBBHy8B87Nz5vob3WBp0AF/bWIuwPPHdbBFbvqA8Qqqjvjg8YB9kf35765o6vas2aBBFVY/rvvNBw result_proc0003_0004 < LT+aMB9AIV5bQAApvs2nJBlI8Z8DAOWzPy/lDBhUwN8TeI0vPPdnBBlSVk9zjPTxvo5gLBF8cDAk9cXyPAhHIBl3AKBEXVb+PmjMPBdFap5Tcu81vf7gKBhP0R5jSUm9PZUyPBd6SGAEl+y1PQB7KBJaUcAEoPgrv result_proc0003_0004 < L5CsABJuDH4DTIM8P5dw1Ad7e4zzXak7PPSowAR/sz+DeSX6PrJxoAhkUI/TfeJxPTQVxAtp6q8LxywCQzlF0AtqaJA8geJDQGOouA1Rf+AceT49P80KlAFPE0AsGZa8PJR7zAxLixB8JP64PmVjCBl3CA47C1hBQG3rzARpJQ8rDSGxPE2Z0AZQG04LVpVGQyNpoAhWRT8bqB1CQ8qt8ARcBRAslGvCQsazxAhaygAsoxFHQ result_proc0003_0004 < LODI1AFRGZAk0Y3/Pb93wAle9vBkQEl/PF+lxAdB3KCEzAvwPJakqAJV4iCUfKbfPe242AVNrUCEIJvDQ++axA52p/C02QnEQclkoAN88/CUAojGQqdJ2ApBxfDkbPVDQTEq7AVprMAU6kLCQM+doAJ65tB0dp8AQDGl3ABNaECE1DlHQSX++AdVZaCEo9QCQ result_proc0003_0004 < LSBI6A1nt/Bk8UwivWej7A9UPOCkGRW8vrBCzAxHu2B0zY1Bwi9EuABbNSCU4S/EwkaWDBBxuBCkuVNAw7OiEB1k7MCkeGEGwKY8DBlK/8C0cM4GwGfJKBNmG8B0wHgHwEEx/AViFaB078FoPsa16AFX+wCEAQi8vqoVGBhmoRCEa1e7v1v1DB5Wi+AkEBg/vM9oBB51D6BUU0UIwSNyEBRf8EDkeQhJwCcv/ABnpGDkVT5Fwj5vGBtSzNDEugSEwlT/KB5Y/FCUkS1Jwv+CNBl89NCki+6Ewn+bKBZID3Ak958Gw result_proc0003_0004 < L/9WxAFiCjAk8PZBwiSnpARxMt/T2ZwEwf94cAt9DcA0LJFEwTGPRAl73nAEBx+HwCGgpAdyS36jX7dDwhVTzANzIO77bVbFwt8vxA928z/7X65EwMKmyAhusWAsRaN+viUvxABQT1BcsnI9vl5j1AlDWBAkimU9vUo8rAZdt9/z8rdIwP37oAlCHg5D2WT+vqGdiAtz9R37ZlQFw2dy0AZ8Di4bLozIw/8Q6ANDWX3rc0FDwm94pA1plLAckxcGwQu03AN5EbAsDDQHwGfP6ANhHCA8G466v+yOsABrFy/b/wi5vZZVyA1j2CCM/hryvFqmqAFFgECMd6AAwsbs3AVKwICM5upAw result_proc0003_0004 < LAWAXAJkpuA0CuN+vLmWCAZgvVB0gE37vH1KAA96OWCkjMqAw/Ogf/4ZgfCUP+KDwz51+/kR3fBUsulOPS5sI/ILyDC0bnDuPmJE7+cUKGCUQec/Pzq2W/MQURBEbSaCQoIAj9O7hlCkTBmBQ6KjgA5tWhA02II4v5lir/IE/rA0GE6+vLtoAAVBahAkClIwPXBNMA9j6DCEKottPiiwE/UXAkCEwI+NPyI3M+eY8hB0jxWEP result_proc0003_0004 < LAfrQApStwCUbrJAw50mQARxNbDEVijCwDn2OA9flYD0I9TIwvKPDAxBZxD0HojJwsTaiAVWkzDE82DBwZFDjANHsAEEmx80v9fptApNEKE0NDbvvfyHvANRlMEkFpO3P3NKsANr+dEEv2P9P6hlnAJvNuE0EqX4PHg2tAlRueE0Ss1DQcSndAJ6InC0PzF8v+U0CAZKysDETGCBwEuYpAdHyfD0dQ5BwGQDjAhVIIE0hOhDwuT2ZAtVsME0iawxvUSwhABTulDUl7fivUQ9zARZS/DEIBu1vlwWuAdHxZEU7QJ3vfZnyAhwaAE0Xap7PXwSmAdWptEEtksUPedXlARJQ7EEV2l8PikXxAxQPSEUnutFQ0gorApNwrEUjt8FQ result_proc0003_0004 < LpPdaAtTY6C0ogfJwL0WaAFBr0CExuYMweFQEA5OynCEwpYNwZPo7/E8ezCkuBmPwZnZlAVipSCUX4MNw2ILxARzUfCEuk2MwdTR4AJWZxB0ciZNwLO1zAVRCEDEwNvOwCpyhApn3mCEgwWIw1jseAlm9SDkhZUNwxgAkAFP7rBU8+AMwsnKkAV/sKCEzRTPwBnjyAV8YpCkYyyKwUYUABREtBCUcqJNw9iT2AtbU+AUG2/LwQs92A5sHbBEVAcPwfwM8AhCENDUQSfOwVndyAhR/5CEZhZQwKgvuAJaZfDkt4ROw result_proc0003_0004 < LbYXx/AqnPCkmsvLw9e+N+o+0CC01wZMwgEfR/mYzoC04fRMwzeb3/OGZrCESwzNw880l+mlw+AkmPhKwT90o+YwqO/T1dELwkjuS+eDsD+TTjrNw9n7m+Y16I7LzFGOwT5Xm+KoWD+bzDQQwG+U+/8B3FCU64/JwDT8K+4bNtBk+fcOwAOld9SmIQBkledIwkoHs/6PY4AkUjqKwCZ7s/sYsa/Tb7LLwxzDm9smTv9D4EcJwovPp/2V0C+z/KqNwVIsC+cjyS/zpPWPwMpYs/A9pD77lxUOwHhyc9ol9+9baOWMwFROb9UWl7/rwkWQwxfvp/mPcH+7NaJQwpmkg9C4047LSiERw result_proc0003_0004 < LzROA/mbOGDEdrbKwumUr/moprDk5wDKwWCLj/iLiGEUj6NMwMWVAAbCeREEm+GNwTuJk/21J/D04AlGw22V1/e8RkDU0R+BwYrGr/e/o4DUOPM5vR1o9/KtqeDEyIKeOPlDw/qkmvDUhWm6PN14n+UkkCDEHwQJwa4UGAPznhD0AzNKwYWkf9e78BEkdD7FwvQcz/uIPPEkQmYGwtk+LArlDhDEkAXCwR+Hn/y5dEDkfsHCw8V8h+Sbz6DkbcN4v0YZ4/WzbMEUX364vvBOQAjPRfDULRlVvmUJz/mAh9CEWgyav7n+8/iKidDEsDPAQ9wO/+WmouD0OPJ7PW5I6/SoEHEUvtY7P result_proc0003_0004 < LEcLI+Q2bIEkGPDNw1XwC/kaTYEEwyCPwgVWS8sKZSEEiq5QwAp0C88KV/DUDESRwx+HBAhNbaEkbaJPw45nLA9RXkEE1uqMwZX6hAx5CiE0Ba3MwCALFA5Xx7EURzcMwqyMX/kRR9D03ISMwnw/79IprnEkkNeOwMTAIAxJlKEETebPwRBZFAR/QkE0VtbQwjnXGAlK0bEETk4KwRGplAluGpEEooGLwZLAkAhyIREkds+Mw67wkApjOqEUUwpOwJ/nMA5T1CFkh8rKwGGcKAprVEFkg0OOw9spn/UP88EUYnRMw result_proc0003_0004 < LaWv3+2YeiE0IVpRwxfxZ/WPKfE0IuATwJf/CAD3DSE0cSCTwUjGSALapWEU0MTSwKu75++UYxEEbYQRwYpVi/OhmuEEHOfTwq/aB++l/WE0IilTw result_proc0003_0004 < LwLdDAX4uBEEqt4Twvp5VAnaDnDEnn+Tw19xUA73tDDUgn7SwK1JEAf/XvCE9RwSw6XZXA3s3TD0CVYVwLUCaAfWq0DUxlfWwBW6oATbYKEUSPTWwy5GzATuPtDEyYiWwm5Zt/u+L+DEz+eUw6HKiAXDr5DUWPyTwOwAJAP+XBDUoslVwAyeiATq99CUTXbVw1fNMATf8EEE4hgWw0I4aAH9RkDEoEdXw2G96A7/M8DU1ncWwPoSyAD8DfDU71hXw1uSyAPLWUDk06xVw result_proc0003_0004 < LIWSjAXoj8CEhVPSwOcrjAvtCdCkYmKRwWDyiAHCYfBUyltRwcWZmATIHNBkPk0SwAG/tAr+xhCEgUYQwnY52AnzQZCka/LRwBx8pATQYNDEVqdSwg73ZALpriCEKufQwN65tA303LC0rIEPwphiuAT5JCDUZw9PwuEd6A/PQBCEjSyQw result_proc0003_0004 < Lry4bAPstmAUiX7QwvswaAPEiY+DP3RRwXa6fAv1Qe6z4HFQwNgNUADELi8LlajPw33iEA7iaY9jPk0Rw/ZF+/WFGC/zGMJTwRWsE/CozS+jMipTwwtlD+wxMz7T1T8SwYLtd+OOxE/jBlvUwI0IVA/S06A0wLEQwJbSjAr0u99zzlDSwYE2w/uHLR+zk7FRwjWUDAj1Pu5LUq9Rw+C5KAjfJd+DZ54TwBu2//2dLmAkMBBTw result_proc0003_0004 < LsyvoAvnxe8jIUzOwLYOrAj4Odp7GMPMw/lL3AnX+E6bsR9LwTvr9A3kUx6jYpWNwGWWnAvNBi9DFy7JwRxvsAvzsPAE1VyJwr7RoATOcHB04bNHwXUzgAj0CtA0JqoEwAnWsAn5QGC0b0cGwLA2tAzN/m+DGMkPwxrFnA/ao19bsRIMwanuoA3eu+6zLeCIwWLhdAzq4F+DeuHKwnKvrA70PwAE4osLwB/R1ALhiGAkMGdJw result_proc0003_0004 < L+GC6AXQ7U+rlQJKwzknCBP836+L/1lJw5HaFBnebK67yATIwU5vDBfgAS5jbcXEwElGDBP8SrAsFrgHwNC6JB/fHGB8zZtFwppS0ALPNU/7n6HJwNPnEBDnsX/7QheLwz6UBB3X5iBcxnuIw053ABbhufAMdb1Dw result_proc0003_0004 < LF9pJBf0pT5DOAlJwKtDNBP8Ge+zw4ZIweA9SB/DPg9zoirIwSA7VBzBxD/TmYJKwDhCMB3RPlAEsfuJwM4dGBfMkJBUjOSJwO/6FBbfWQCkCNcKwCRqABTCfiCUxC8Jw0BL+ALXtJDEc5uKw06ZCBfjdiDkc8DMweSa0ATPTXDUGSLKwMOjKBLgFc4bMZaLwmjGMBfPto+j2OkEwi1pMBDNofAEmC4LwMF6OBzz/TBEJj+IwozpFBrCYNBESrSGwINhDBf+AgA0g6OKwrrhGBn54OCUhMmMwB05IB76clCEufjJwuZ/7AHXYQCU966IwnsIGBPnEYDkyKfMweaOBB312/DkjDqMwtnTvALCRED0j4JJwOXDyA3dr0Dk1XxKw result_proc0003_0004 < LDIoUBXD5q47yihGwMIrZBbDDW9bmlsHwABHdBb3B39LBPsCwWYJbBPKUR97kYb8v44pYBDkEOAsgkDJwGcaVBbXuMAMNBoLwFkXUBnP1lBcWctMwqf+VB7F8SC8uogLwQZqRBrzdqB8dc/Ow2BWSBH4MB8b5heDwC23bBrTbx5b4DTJwiAiWB3Ow1AcgMOHwiudcBL6KtAsvkeJwn+mXBXTVR/7LmINwnhkRB/Bfc/rx5OLwnj2QB7xxRCcCezPwcrbQBbF70AsCg5Pw result_proc0003_0004 < L89HhBzd0e+7CeeDwZk7iBP66B/bA+D+vkNAiBjvYuAMJqT3v5lyiBTrA6AsEqgkPQkwlBrQ/g/r1sDBwAdImBHBHDBsHvLEw/21oB/WnIBc2GmGwqyJpB3+fKC80e7Iw6K5pB7sGxCMxI+Hwg8YqBPXH2CcoF2Cw/sHqBf/7RDsGtoJw4F2hBHJah+LV9PHwDB9iBPmel8Ljgy4vSzInB3c2j/L/4X7vLGXmBn5Ev9rdZpDwSNqkBv8QGB8+LZHwLb3lB7Tp5B8y1gBw8uVqB3dYKBcaqbDwV7LpB3z7QAM+AkIwrcyoBPu5HCs3Y6Kwi1NqBnHBdCcvlUAw8c8qB/9CTDcdibBwNRvpBXaFODce1mLwJMrqBfj2uDsJd7Iw result_proc0003_0004 < L92UgBjNOjBshol8vC9eeB7vVXCsxli2vRKvYBPF5PCc8ksuvZcmVBvsBuC8jj7qvN+teBfKH+CcT7x+vaVKiBnyKLDc0/RBwht8hB//uxDsQr+EwHA6jBbmJVDcIH64v12kfBPuyWBM1BHCwjBdgBzgCeCMTLROvV8UcBXOM3CMZQ7CwbS9cBbohZD81ts6vQSDjBvdAxCs7XjDw+J8jBPkA7D8NuUGwHPugBnbgpDci6NIwKJChBP6JGEssX1CwZh5lBXCaeDs6Km7vfQBjB/kVvDM11uwvuYDkBz634CsRuVvv result_proc0003_0004 < LgOYXBLWJPB8djYlvTsISBXS24AsR7bqPwGrQBb+oxBs3nE8PgZCMBv97ECMqYb9PUMBSB3ci1+blmA0PWArMBbjqz9ruie6PWiqMBDEJB8joqd9PDkqQBDLUT+D1D37PovpIB/So49zWVrAQA/CaB/LFgAMfBosv0BKPB/9nCB8ZJluvgd/SB/YoJ97RzZdvtyDVBvyQf+b+QG8PUGuLBPKYF/rbuxAQodkJBPY+Q+baTExP result_proc0003_0004 < LY7pUBX7VDCsSTTBQAXxTBjkedCckRDGQyHJRB3h7HDcXhnEQEHaOBjDYbDMrb6HQiIDZBL9ZlCclcfIQ26+cBnjqBDcxQ9FQseIhBXpiFDs1FeIQO4EjBjyoiDs9X/FQOUslB/+6lD8tiZIQK/YYBvC8xB8WOeAQPtERBnAUMCcyLXIQyoPYBPVf0C8VoaKQutAbBD65GCcC34IQF3udBfwC0CMZtACQdbRbBz/dhDM3ecFQNZxgBX5iSDMQmdKQEGCiBvK9lCslmrIQYlajBjHQWDc/b+BQn1NiBrDSBE88CpFQY+6mB/td5D8FFuGQG/ZlBXT9xDs7LQKQIzhmB3flIDslgiIQ result_proc0003_0004 < LMK/RBDTKWDsuKX/PRtdPBrZJ9DsVZa7PyT9JB3S3zDshme1Pg2TGBreEHEMreC3PK8BTB/5SJEM/XQsPHCWYBr+cRE84xx2PtShcBXl7cE8TmirvvpQhB39DiEcGLAxPRIcUBfviFDsW3d6PeW7OBTAhJEMFsDBQ314TBblB8DMyeZtvKr6QBff1WEcba0WvHAnXB7rmdEsOmd9PmChaBz7SEEszMH7PdAwiBDmMpEsL3Ycvc50gB3ICtEc4BE7PWJCiB3yETEs84c3P result_proc0003_0004 < LmZYJB/SVOD8hJCnPS7TEBz3cBDs2+mrvAsDABjZG6CMEPQzPOfi2ADIl7CsR+btPdmAFB7PlYC81pe5vcpSJB7TveCMHUhCw5UiMBLSN6CceZ5jPaW9CBD+7aD8aMN4vFfsGBLwA/B8ZI4wvqRHBBzKgNCsCgP8v result_proc0003_0004 < LjV1BBj6KyCMZoc/PJTX8A798rCstENEQ4Pg1AT2iTDs0qIFQi88sAvkBRD8JqjHQ/qSBBP30gCcDKpIQkLtDBDnKoBsu1pIQfDsGBjqjWBM44PLQpRMJBH2l7/bjaPLQYuJMB3xvX/LDvwNQ4L0FBz5ZwCMjnXAQ/WB3ArwbRCMuPQDQDaiEB7it3C8Lv6IQPyT9AL8ejCMRyXKQMIiAB3K24AMh1aIQSZeGBb7uhBsR19FQ+X1JBzAGDCch5gLQTH7DB/cRbBslW7MQPtEGB/kjb+rum/KQzO9LBjntw/bUGkJQ2+vNBfzMC9rNUrNQA2GPBnFYXAMjh/NQZOnJBrICf/bzAVPQ result_proc0003_0004 < L7YT5A/rG4DMcrMDQZvmzA3+NQEM6+4DQ8hRqAHaASE8Sp//PctakAT11hE8p9AAQ/jO7A3QIjEcSoHDQfq4BBvMMlEc3UbHQqqZFBjEe4EMF+qGQAtqEBryqDF8+dzCQ520IB7QA8Ecw7+IQ6MKABH883D8VbMBQ1JawAnEyQE8El8HQP3Q/AfnphEcKvi+PXRq2Aj/+xE8MGDDQZZ4/AbFSmEszLqJQFdWEBXw0WEcNAaHQ result_proc0003_0004 < LZg7oAjQrBEsDrU5PEjBgAnd8AEsfQZmPvRkMAH5VsDs1Kh1P6qT3/eqepDsHwGmPuqNuATC6qDMF6d5PbY7bA/xJREcLbravmkciATWkwDsMPvyv result_proc0003_0004 < L70CPAfAOdD8ftTAQNL26/OZXJD8XuNDQY7y3/OEoaDMBzcIQw6dGAbJ85DswZJJQoww//qSWYCMKRXDQDuuS/GccFCMCYbFQSzrSALQpLCssl4GQ6cgdAbSifDMpjFCQI3Ea/u5ARDMIPKBQCvjCATUZMCsKZp+PrGU++6WSfBsZ0ADQ4hLUAHazRBsPN8GQ0wqgA/5qZC82HTFQ9tBQADuPXC8bCeJQ result_proc0003_0004 < LXkua/2VBGD8AdFKQv8hI/adsVD8CbxMQVdwP+e3dxCcyqmOQ8R4a+YuhPCM2CrNQYS53+IOC4Dst3qMQUyU1/kq4mDc+C3LQSj18+WEzqCsN1cJQ96ex/SQjjDcLCmNQXnrC/gCUDE8Y1oOQM8/B+EkjIE82MSLQ5gh7/8GlzD875JKQ result_proc0003_0004 < LJwSj+CO44CM53mQQCjTk+wzYbCckslRQO3J5/sELWC8ZeZRQkLUFAFw2mBs2+lRQ1niH8uzErCcojATQwTJv/uxGoC8PoaTQrhk3/6gK6C84MyUQuR1X/OAQPDsf5TVQZ52MAnJ3yCcDdTVQlkjP/mcoTDcrY7QQzn/O+SRU4B8S/cRQe/Rm+Q4YMD8FvGTQF3tE/8EdYC80OuTQMA54/aMoGCscwZTQpcPBAD+O5C8s1rSQ result_proc0003_0004 < LxqMHA9+54CMy9ARQrINeAJmE4CstoxQQ+s8hAdMuYCcXFVPQw59pAJcACC8jqfPQfOLjAVpykDcofaQQm/njANWaBEsNKnRQ4vCjAJejzDcJDuSQU7ikAllXUEMAGaRQNCQ+/scmUDsbv4QQ8GFjA15otC8qIsRQ/E9bAti2yDsZEUPQRsKrA5xViDcG69PQ result_proc0003_0004 < LRaqWApeoXCcrDQNQmioZA5c6yBsHuDLQ6vQZABr2WAc+zDMQUgOjAJ3oE/LfUQLQ2diIAxVFAC8Fl7IQMUOKAlWPsC8KDMNQtipkAxXr+B81DLKQaK+KAlCpSBMKVnGQ9FnJARXlgCsuoJIQF9kx/EkN2BMrtzJQ result_proc0003_0004 < LEnEKAtrrDA86c0NQ8kTIAtw9587rR/OQEsHbAdiYc7LJpaQQO/zhANVDu8T/FbQQx2km/oBNX8L3HRQQHjtJ96VyV8bxYyOQLyxp/mrOC7LTgLQQwEcn/CLEo67ClYRQC1iFALc1L67nmJPQb48+/MQTxAswIXOQM0bIAx5X0vTRCYNQkeoj/oa/0+LGe+QQxI5m/0+7r6TL41QQmz8R9Y8RZ5TFAUNQAqnz9a8FE/b97tNQ result_proc0003_0004 < LowxgAFRE3+rvYMRQOkspAJWtj+rMvHSQp3G0AZwuA+L1LYRQsgc6AptFg4LFSyRQaR+qAtW0hAMjX+SQUPUiAB1ouAcygBUQnesiApo/CCMk5mUQT8FVAxXCJC8BNoVQAVWLA14iuCsBM5VQAraQAFj9QDsdQNVQgCZ5/MSvwC82A2WQpF5ZA97VUAM3/IRQK4BoAJ0Ee7rzwxSQBeArA5xJaB8HVVSQGQpyAlJufAcZefTQwoZjAZkZAA8vC1UQ7u8UANYalA8cVkTQs3YhAxImaCMep0TQRnfqANfUIC8cIEVQZJxQAV4ieB8LWLWQlinbAlOSPD8vweUQrUHJAxiEtDMF/ZVQvNmx/gfRWCc4yXXQl3yq/AR1MDMBvCXQ result_proc0003_0004 < LP/01AhLhd/rwQSQQiBW/AxGhF/L6T7OQEcX/AZySu4bC2mNQgZ3DBtIZv7zFAXNQlECABl1HpAcpF0MQPLlBBZPUACcg65NQxR3CBle1mC8C7SLQjDc4AptowC8f8GKQv1ZwA9jfbAc/GBQQDtLDB9ZEN/7B1GQQKKY4ApYlvAsnxzLQ2k+CB5vOXAcJgTLQbyKFBhhr6BMJLIPQo+u8AVygMCsSjKPQeZs4AtJ5HDc8/eIQMCjzAFpJ9CcAMvLQ3z90AJR0SCMzVYJQ result_proc0003_0004 < L2C91AFAWP6jPxwMQ1mw0A5NRO/jRLnLQpMG4A1AJsAEUImNQHgp9AdnCpBUaR4MQchRpARY8q/DLVtKQ8WdvA5qkh67/56MQBbB6A5zSX/zOS4JQdogoA1kX1AUgr2JQZ6JnA9Y0L+zIDNJQCH7jA1u2e/TIpaMQ result_proc0003_0004 < Ltgr0AV4PiAEj+CQQfum3A1eKeB03kGRQmHzBB9NMcB0qxXRQJTTEBVgZPCE+skRQ+HnxANmgJBkzxYSQbVrlAJOJcBkhQWSQTYNgA1fP+AU1LlTQ+ndJAt89MBkhrhTQ/bk2/YDauAkg/aUQDA8BAxVW//TosbVQuWg1+4Oa/AUcKSUQ4v7vAdT2f/j3QRQQsOa1ABcRPCULKyQQ/YmyAV08FAkk+nSQrXB1AN/KuB0cfNTQpEakAJRdQCUHQQSQrBGiAp/j7A0olfRQU/jhAx+qz/DiTtTQlSZjA9fegBEBUcUQILvDAFTqwBEDywSQ7nrRAptWl/jkciVQi8nu/ExiR/TfpGWQ6GUy9gJWjBUBagTQsm5e+aRhoAEwF9UQ result_proc0003_0004 < LcWFEBhiaPAUb2XRQ6W0JBZwzEAEHIlRQAeANB1cQtAEpkcQQUpZRBxWJOB0BJqQQgfOLBxzKb8zSfuRQiRXJBxHcjzTNKCTQOObIBd2gC9zrIAUQo1zIB145i+LVKFTQ6eyBBFSG2+j8dORQax7KBxL8lAU48fSQ/zaJB1eel0TkR6QQuEjPB56o27TAupRQOOlHBFYQb/LhM7TQ/TnJBRjvp/bPeRSQ result_proc0003_0004 < LQSxKBt7nqA0y9eOQfJQNB9nbTB0tHLMQKiKNBpoRaC0g1bMQCoJRB5luvCkQP5LQeuYKB5hc5AEoPmJQjSbNBd4SjB07ELFQOmQHBtUjLAEoyPOQNuZRB5hX+A0gUDMQ0VTKB5Aun/DiUcJQ7RQGBJbkPBU3kqJQ result_proc0003_0004 < LSJmIB9ecrCUHFRNQI25HBhxoZDERLfNQmh7LBhl7sDU/gbPQKimOBxROGEUOMzOQzfNCBNDUkD0/HZOQJxCBB9m/JE06JnOQZW42AdsnOE0zaiPQciJxAxud/D00NDQQ8AD0AFlEhEkTsrPQ6fhFBxv/XC0gmwNQ9ukIBJD3nDE0hhLQrzs+Ax1iWD0UX/MQgvdBBRc6VDUP+KQQui2DBpxIRE0omAQQIerBB53ZREkooqMQ result_proc0003_0004 < LILWMBxK1ZD0/b5QQY04PBJMJqDUzA8RQk1aQB5wUKDk5XFTQLfuUB51C8Ck4oXTQH/hMBtai/Ckp5sTQVxzNBZeQKEkgndSQ1qCRBxN8RE0THgTQlzJKBF9U/CEjJFRQB81TBdDLvDUyRgRQCMtNBtz5VEkhvpRQReuJBt/OIEU2j0SQ9IZTBBwRcEEilGTQ result_proc0003_0004 --- > SCORE: -35.610 -206.382 26.438 175.031 0.346 9.189 -7.026 -65.251 0.005 -26.314 0.000 -5.856 -3.971 -1.094 5.085 66.983 -4.998 0.000 -6.803 9.008 2.871 result_proc0003_0005 > ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]PC[CYS:disulfide]EDLKERLKKLGMSEEC[CYS:disulfide]RQRLEKMC[CYS:disulfide]KEGTSEDAERMARNC[CYS:disulfide]ES[SER:CtermProteinFull] result_proc0003_0005 > NONCANONICAL_CONNECTION: 27 SG 3 SG > NONCANONICAL_CONNECTION: 42 SG 19 SG > LNo6pAvVWBCUaMgXQTH+iAnIPJCEF6WWQ+jJpAr59FC0oIDVQFcqwAHPkZBEql7UQIXPTAf7GUBkqBXWQocqlAHPsDCEXGLYQdH0vAbv9WC0N7gXQjoCtAzp8HBU1ybXQyxvfArdvpC0xFcWQB+AJA/dsgBUf7fVQ9mAKAD6IcBEArRXQJgRZA/D1SA0SkTWQ result_proc0003_0005 > LZL8lAz7kfCUDTEUQkq8qALzoeC0yCwSQf6IoA/KZrB0FJASQbWifADczEBknaPSQVHQmA73MGDkQ/DSQ3/LXAfz7LDkiNtSQud3aAj+UADk2jJUQH07lAXesfCkb+DUQNsqzAP3ohC0zb3SQEbslAPTvAD0Zl+QQwikrA7B2hDkVaNSQJnPLA33Q3C0wJOSQZFpRA7LGtD00IlSQXWCMAb1NzCEM8kUQl9AgAD94cD0YJtUQ result_proc0003_0005 > Lo2LvA3oKRB0AIGRQfwEtA7oxHAkvBPQQbWdnAvJ9iAkmx5NQc2dkADpUtBUralNQVhf3Abpbz+z3DxPQiOl+AX5xHA0Re9MQ3xL2Az14wBkNCARQyu5nA/ws2+zSZxQQsqy1AzUk36DmCTPQG008AfbA1+jGtvQQ result_proc0003_0005 > LqKDmAz7gM/TW0EMQAwQeAf2Sm/DEzwJQlTpkAzHTpA0ijRHQD4+gAHuJuAU4qtCQSonXA/Ern7jmbkIQ/8qKAzwub77g0cKQhSvs/Oyyn5jO6YLQfkbU/efs39T083JQCcOg/KKBtxb7/nNQDq3pA7x628T9zSMQK/6PAfQ/UAUciaKQEK7iAXQ9T37iw8HQfIFOAPVxe8jQOjFQUMdUA34fs8r07LMQfawGAj89t+LsXbJQ result_proc0003_0005 > LfMetALi8RBUteZIQ+juyAr3OICUMwWFQS1trALlivC0SfhEQcnEuA7+tKDE4LKBQadf9A/vsVCEwXvHQKSeCBLA3pCEEmoDQFkHDB3jsXCknW1+Pu5oEBXPOLD0DUwEQWynwALNNFB0fxNKQd+J0AH5BzB0o0dBQkVuABbntzBkJCvIQpGK8AbpmsCEjyeJQ result_proc0003_0005 > LcqFjA7/XyCU43mHQ/rCWALuZTD0PaxGQiHEKALIbMDEnaiBQCcm1/yETjDECzTAQJOJGAHA3TDE4QuJQlraPAvx1gDEtfcMQrYT8/+TCdDkPKlOQGz/XArkKHEUiTSMQR9FiAXiGdCE+cTJQgTCeAXEWyD0TVlGQv5o+/mv+zCECw7JQTKgy/mOFqDER4PJQ5JYcAPMHLD0Nw+MQsdvEAPTQmDkMfQQQ+LDx/ajD8CUwZrOQUdqh/ObDyDELNFOQTZmeA/jxLEEUIOOQn0CLAb2CSEU7OwLQiHQiA/8/HE04RxKQ result_proc0003_0005 > LgrERAzOssCUcg78PhVXKAfrXoCErJfmPnrzLAHi+SDUQQIwv7Gb//eVJbDU5Ek7v0/6XA3BqGCEvHpvvI7hnArX3TCEQXqzvIk+tALx4eBEnas6vifP5AXmo7BkBml9vLbY/AXa+LCEbxCwv9+TbA7MAXCEqTBAQ0NYz/+PHeCECsXlPrYxQAXOh+BUjip7v+kCYAj4cSB0kiWcPv2LrAL0OdCknw5lPYwvnAr/MvCEvHP7vgf+pA7h1HBU6n8AwXAfuADQRqAkj7+xv4o04AXWOYCkNNoBwV7g9Ar97GBkcKsAwXUZDBjzNVCEQKj0vN38/ArgBnBEX93hPo+k7AD8zkCUg2VYv result_proc0003_0005 > LRIraAncDuDEp4zZvjOReAHQnLEko9lzvdjcKAbvuZEkeGRyvRzfHAbPOoEkp0o7vSEroA3lFXEEIoLbvzyazADjVMEUHLtqvMGT2APsOLE0CyV+vqFt1AP4XbEEgrzBwbLG5AnSb0DEKa/AwM92hAf45lD0QAizPws5gALMyIEE6MO+vgNfnAfEIYEU8f23PLqJpAPcYnEEKeFvvaWKzA/hS4DUEPvYPasm5AXqIVEkZizkP result_proc0003_0005 > LZxx5/CfaVEkDrDrPh0fC/afwgE0K6dvPLwYE/0NqVEk35kpvPehq/4Z+fEUDCL4vWe/C++bUiEEbIl/P3ufh/WsKwEEa9NDQVNqJ/aqlvEEJLeIQwlMx/aaa8E0eMIKQv4tw/iDn8E0Uo0MQbNcK/24nwEEfbIOQsd8FAjt2IFEPiJOQ/EuAAfr+JE06JJ4PxKaK/Kv5wEETPYbPo0R99mRYSEURFjBQcHyX/8y1oEECfFAQt1uf/S2sAFUG81BQV/KBATpaqEkfL5CQDyxL/+YJfE0pVMJQJwKu+Qn01EEi7rIQ9zZDAnP2FFUJSMJQcRiZ8y2QnE0whHNQMMuJ/OXxwEE/0EQQBFhQALpESFUGGJNQz9wFAjLAJF0BWFQQ result_proc0003_0005 > LGP5J/o9kAEEwXshvaNq3/UWjoDkjv/zvIdo1/0IJqDUEWFBwwsSLAtczpDUSAyDwgXv1/wr55CUko2ov/eyNAZendCUWTGzvKARhAxyDxCEJ8NjvmAlKAZtNhBE5YkhvozyS9K+vxDkhTdsPAS/KAhra2Dke9ytvXQB0/0kk5CEEN+0PidTR/gaUrCEcItyvzxwOAFqbcC0WNQ+vxN/nARp9cCE+IGvvgcSiApD/QDUHwhxvsh9gA5hJzCE/Vl2P5TBYAhS/4AUbnSuvvCoJAVLgjB06AB3PsDl3/cBjGB0rLzwv result_proc0003_0005 > LAwA7+IS4rD0lUODwMF+g+4A9qDkA7fIwpC+b/I6aIE0Bc2JwKEDm/A/EIEUbpQMwf5in/iGsqDkzNKJwNcU+/2acKEkWcnIwdr3WAf58IEEw2RJwtf8gAjDheEkU89Iw46tsALu5cEEiLXJwvW0r+2J5tDEYcyAwk/ON/cLxNDUJbSJwKH+r/aj4iD0YFRLwk1d3/u54RD0rE/HwEAu6/qMrOE04iBFwiL7v/ejCXE0hx0JwR90YAXtbDEEKZVLwQHgeAXA46DEAZ5Hw/zxeAvV1kEkx48Fw6UbbAPUvpE0sXbKwnKEwAbagrE0WAJJwJoQuArVVXEECFOLw3I1vATRxSE0oU/Hw result_proc0003_0005 > LXSan/oL8YEkSQSIwfnL6/k4gsEUhmWJwMFcVAN7lrEkACSJw6hIgAFkp5EUtbWKwRYOq/s5//EkkolHwzNNO+Gx3DFENDAIwrAUG/+gfXFUO+zEwf9kBAX0SbFUNGMFwLMbIAn6KuFU3Y/BwExah/0Y6XEkw9mEwtJaw/IjLuE0F8bLwmaKy/IQI+E0veXDw4Ug6/UZUOFUtugIwGRL6+STNGFEJ4FKw7n1N/iU91E0n+eGwZ+rp+uDUVFkn2nAwXecn9KIilFkkvVGwJaBGA/T4dFUxOrIwn8EKATnNNFUxXvDwz9ZYAD0IwFkDBWCw4VpEAvG0rFUGaN8vfR4AAT4Y7FECNWDw result_proc0003_0005 > LH59dApZ9aE0LBBIw8tcqA5XgZEEUeBHwrLvvAB7aJEEuTYJw+DT5A9HDFE0z+JJwqZgsAVSFTEEiQMBwPo9nABgSiEUW345v3uUqA5zbZEEDUshPif1sA5ba4E0JFU7vlPUUAx6APEUThxGwEkAuANNKpEE2BvHwdjCpAtgVDEE3hgAwDhH1AxMASEkl/jAwTYmeANhTjEkOSx6vbBGnAhSPkEUVuf2PRXnmAJfvJEklxQoPmU8yAFE/XE0SKIpPbfmpA1cODF0iwjyvM2f1Adxa3EERCb6vT55qAFRe+EEcUoBw result_proc0003_0005 > LQkdpA9opAEU5SOLwBJbtA9I1gDUPXENw/Q5kABwaUD08dGPwiPpZAlHeqDEDkZPwW4vhAliWFEU0ZWLw1Re0A9k7sDktpGOw4L6vAxroEDUGj8Lw result_proc0003_0005 > LP3umAp7+wC0z3PQwr8tdARW1fCUQkLRwibwdA5nLeBEx0KRwp7EnAVS01A0kbbRwU9AhA5CkwCU9xlSwU4rSAR/zfCEPnpTwX7Iv/wIyxCEcIZTwXYZD/Y+IFC01PCUwY7wtAt2hhCUUQIQw6X4NAdcbqCkvf3QwvohgAh2WTDUg7lSwXSHpAhm3nCE6F5Swjy7XAxNfqCkPloUwLtySAlY45BEc/oTwZ7/A/KEbLCEzf8Tw6qtT/ohRACkUbFVwBjmT/gw8QBUx4dTw result_proc0003_0005 > L6VTLAVqq4A0Ce3QwhdqIAJBH4+Dlz7QwfXSi/YNCG+Tss2QwMSU4+w2+W+DHNnPwEeAVAZRnF9Dq8nPwVfyQAd2ga87ddiPwOsj9/Q5PdBkISlQwV6/OABZaL+z654Rw7xCjANaov9jpf6PwqCnQAlKGd+zWSuNwZ8JdA1bIB+bhNvOw result_proc0003_0005 > LeEBC/AyjQ8jy/9RwuUEY/67iD5TMdCSwFzKm/KS6x971vERww4xDAr54x97e8aQwwS+n/mfIg5r1vdTwyNPo/KEXt9Di2dUwDCnz/icP47z182VwkD32/yAxy87F/EWwpiD5/yHbq+jFEtWwjfjj/kvbo7jXdySwhwSv/OiBH+zGSwRw7z8C/iUm49L8q0Twlx2DA/fzr878zdTw71U//KfgW/Dh+IUwck6i+y7Oy+TJneUw result_proc0003_0005 > LAank+CEz0/7sU/Qwlmr8+OLHEBc3YHQw/8H6+GNvpAspFTNw68Do/uEzIBsCbsLwic/G/IXoDC82AYQwTq+9+UXgaCMNptRwdxGy/cJK7CsC07Rwn5mHAdD78Cc5GJRwDmbv/M/XSD8Lc5SwvyhD/EUms/bY3iRw7SUu/OtagB8aJVQwtX5y/MH9oBMHuVQwg7LF/wkxbCs3YLPwIK89+ilcqC8OhwRwVZOB/EI3CC8YzgSw result_proc0003_0005 > LYXM7+svgg/7j/mMwoPxF/8Iej+rJZ3Jwz6ML/WpgP8r+Q9IwChHm/qbHS9LjSkFw7bB5/YjMo6r/nmJw91rDAN5VA2T79XEw5xxi/okNy+76cBOwaPaQ/UKsIAsbHkIwc0cKAVDAF9blskKwQs7x/0qZb8zLUoKw result_proc0003_0005 > L1Ydl/iYnv6zQnoKwt6ZFAn1zS+To08Jw0vCZAjA+K6Dr+gJwo0eiA/0lq7DurLHwPuEKAfiSKAkvKJMw97K0/yNXTBkdrVMwlEl7/eUQECUegwOw4bjc/KeVoCk2G5OwdTnU/GbqCD02XgQwZc7x/eOi8CE75kRwpitK9kkpiDULAeQwJDjO/W95z7T8gbMwVCDCA73wX/DweGIw2JZKAfVEU/TgtEOwc21ZALuQmAkRg0LwSfG3/6YU8BkmTlKw81mH/2Vd5AkUHcMwk3/2/GXihBEQWRQwJxEOALArQCkaouOwpTPu+ejEuCEYBSNwp3hDArXFkCk3tmRwrC9u/m9QQDkuuXSwF6/G/UKXnDUzmSPwhvdC+ImX2DkJzQRw result_proc0003_0005 > LCAVcA7uTv87YGULwvJfnA/DhH/LW/LLwo3+mAb8TeAcrTwIwJZ5uADUOpAMTOqGwPCZoA3NRZAcmhvNw6NKrAvYnL/7GOHQwGYaqAD5paAs7bYRwOVFnAHs/kB8RqWRwpqgtAntFp/7ZQgSwrhoRATxOP97YszMwa8nuArKfw9biVALwqu1gA74G6A8BDHOw5xhuAbpGKBccueNwV8UzA73Mc+rVTBQw9rmlAvWOB9bxmMQw6pMtAvNPUA803XTwBGKwArZpg9rb0eSw result_proc0003_0005 > LxkQbAjF4DBMfiSIwtMRYAHtw+Bc4gHEw7MTYAfcXPBsTfl9vCtYgADY/uBsTqPzvqwWDAH41XCcg2tEwDG8CAjPA4C8z6oIweuUU/KZLJDsnGGJwDhpR/23cmDMWrWLwzrFs+UedxDcaxrMwqpIw/I6ZhDs6X9LwMEgj+U2MGEsE5tOw3hyOA/NU3Acx1gJwr8tiAjdRWCMDgHEwIsms/2BWBC8NOXFwva6//aGLpC8T3BBwpUhNAT4sSD8N2KIwtwUIAz0joC8UdeKwsx8B+qN2uC8CAgJwEYK++66ZaD8CJpGwgHx0/WldzD8WI+Lwyrxx/g5zMDMM6ZKwi+fFA18ppDsTJ9MwE9UH/27XMEsikRPwcWuj/IuUKEcKotPw result_proc0003_0005 > L1lxOAjOWDAc9qf9vnC3MA3/Ki+7D22uvkzYhAPhbg97CvuZP2MLjALzYg9L4uS6POIF//2dEquL4mlzvnFI2/yLKf9jdCDwPLQmh/6yjezz06w8PYQaS/O42BA0RWadPFEtIAPoiX/LnHMCwC+wEADgov/r5IMpPSLYg/+i7a67i5J5vQN3HALs9b8jT/q7vovGKA3tph+jnLS2P5yeW/G7dm8jTu3BQOhO3/6w/H9Lb0/+PMLP69WIsI7LcE15PGNuF/a8xpA0Gao3PBePH+gByR/DtPFpvRy5o/CpDoAkMNoyv result_proc0003_0005 > LmFtoAjqYL8bLmQ1vDtxzADBtN6bBwmuv2an4ArfD6+ri3ipPlDr9AfZaj+rJ7t6Pjee6AvRGrzTnjm9vLpDDBbMl96zRMS7vLeHGBjf0D9zRokCwIiwDBbRiP9DdKyGwxe0KBvVsC+TgFICwVmimADLhz778RZ+vys7zAvk+X8zqG0kPCJ92AfhYe9z278Awn+W6A399U97ageBwKQ/EBvu/97bxNW3vHWMDBrw5X+jTHDzv result_proc0003_0005 > LcTC3Arw7pA8L96mvU8T7A/dP3B81rSsPeqZ2A/WHDCc3TE+PAur7AHHUTCsDbqCQcMX5AzCdiC81wOwvup2/ADNgiCMUOb+vfqS9AT9eJDs5CoCwpFzBBvRGJDc+O1Hw/PeABjybuD8U+oJw10wyAHI+uA84Zs4vTO9BB/TNvBcdiQwPix6wArS+jCszai0vV3R7AXwo/CsbnZQPGtLEBXFpiCM5fg8vgAF+AXeqFCMHsfBwkyw0Avo5JDMiCjDwaNQ/AXafmD8wYaAweDEGBLLrJD89x8Gwi86AB/yzrC8V+AJw7+oCBHd/sDss8VLw4XE5A7H5tDcC/FKwp1VBBLZ5EEMTCqIw result_proc0003_0005 > LA3QsAb3duBc10P/PxUbmAvG39BssJlEQPMvrAjzuQBsxEpIQ+qUqAj28pBcNo8KQ5JpVAfZtgBcPFAEQNN/HAnq1MCcQobAQu7QW/OytuBsD0p+P2YxI+mr6eC8JewzPBOgoAbl+QBMelH5Pv0hmAj3KhCMYDaFQ8WPVAXWNgAcEpWCQyvHOAzlYeBsC47HQ7AZGALEVsCsmiQCQWTzPAT7tQCcOUI5PyvNX/g7HWC8gFIvPmhlI+2C99C8E235PvT0Q/q3zgC8H4+iv result_proc0003_0005 > L4s2xAbK3NAcx4CIQw4L3ADYo3+LhTHKQdGH+A/ycUA8+64LQS5b/AHOKDAsnLROQK7I+APdEw67QJ3IQ0TODB3VVL8D21OLQMl1yAnxi6/rF3NEQGFGxAPtp19LzgWLQfGD5Avo2E7z+etHQZIrBBDpJJ9bCQtGQ result_proc0003_0005 > L8eQBBPXLYBMEBuKQtJHFBfYIHCci/GMQhCkCBzAPdC8dcgOQSwEFBzyBiCc4TTQQbjdHBjcaoCMNuMKQnbILBnb+VCsRuDIQsZLNB/Hx4Cc6kYEQ3ByQB7zTmC8HkDAQ3ztSBH42HDMYZm4PPDPAB7OkmBMOT0IQJaWIB7g7lB8/T2MQebOEBvcY5CMjVMJQsZvJBfm8/Cc1eVLQQTiOB/9TGCcnhAJQwR9IB3td8Bsx7xFQ+8yJBjl1IDsatfCQ/jbPBL+UQDcLYrGQtVOUBXs5WCMf15BQ1rlOBTMPOC87zk7PGdFVBHAW6C8wE+rP2cjPB7j+VDsiBByPZm0UB7gDeDMLOs8P result_proc0003_0005 > LC2H7AT6pqCMt2LOQzcv1ATeiEDcLiGQQOeAqADbVLDscBgPQQKEnAvPdMDM4tJNQcXV7Af90vDc9RQQQ8Nk2AnRSGE8iDVRQ8By2A76i4DcWhsSQXS9vAjxseDMNb+SQVCy9AXjjBEMpgdTQ4KJ3AvJuiCsG6fMQNsH2AzPrzCc8jDRQew3BBr6vqD8dwfQQ0vA7AzaiAEMOZnOQtBD7A/5OVEMb9WRQjEVuAbACKEs09DRQ result_proc0003_0005 > LXNVjA332PDM9jxQQofBQAHnIZD860kQQWnECArhY0CcxPERQZk1IA7xYPCscYERQG+KmADiyMDc/wtRQUz0LALmY2Dsy4GRQzj/MAbz2eD8PNCPQ result_proc0003_0005 > LRLQa/q5y+Csj2eRQnVgm7AL7eCs+tBSQpOqr/oNIhCsR/VRQQh8x/EF0OC8OYRQQNr+N+wKskC8E9iTQZr5I/k9OPDMLp0TQERck/KQHdCsVERUQa7/G/SRldDsf0aRQbW70+eTe+BsvD2RQLv6a/04+NCMqe6TQngD6+4UNWDcxTvUQjfvf/2AUhCs/sVVQwfhv/i8U5BsiVEUQSlM8/aV7zCsCQ6TQ result_proc0003_0005 > LjG0EAB4p3C8dG+RQLfYbAFy0zCcswnRQk83fAZVAHDMN9PQQ6HSlA5KWzCMpe1OQV3ikAxhxJDcNuqSQLmyjAxvy0Ccrv5TQNUdAA1D9LDsSStSQMhjfABK8RCcq5lRQKJ/hAhE7qDMKwxSQlO2sAV2IKDMLlVSQ1r9qAhv+yCsFbPUQ result_proc0003_0005 > LWPpXABVgtDcTLBQQtOTbAdi/BEcVdhNQkScTAJfwpDMMnJLQDfVdAxrtpDMSXBJQedIQAR/xXE86bjNQy5ITAV42kEs+1ALQq9sHAVcA6E8QcGLQ+aFDA1BaBFsWXQNQR9kDABvxCFcQlAJQ43nOAp4j7DMU2uQQIuOmAZ3hEEcVYSNQuIHWAVLPhEcRfOPQmLB+/cOhVEc602NQFYKNA1DrbEcyWUJQTVFiAprnnEM3GtKQ result_proc0003_0005 > LODmBAlDeTDcA6hLQF24u/Q1w7CcGMXJQHIqCA9pLRCstP4IQIJnDAFkqBCs2OPFQ6BBX8qS8zCsy++JQrJVW/GGpcDczv3JQDcln/+X+rDszv8LQAJ6i/+OAsDM8naHQebx1/g57SDMGgXNQDjJx/scvODMz1EHQWLy39OB/lCspS+LQ+j81+qH/cCM4wjIQ result_proc0003_0005 > LzkILAlz08BMP9ALQvxaYAp9dwA8CYyKQ6gDmA5IcBBsQnEJQdbQpApqoLAcAF7GQHXBfAlz+QAM19iNQ1RTIAFj6KCc7/1MQw2APAp/l9/binzJQDzdkAx+4v+rd8VNQYHyQA9cjBAsLatOQVaCkAlSzCBsWJkOQ result_proc0003_0005 > LkI1qA5yRGCsIWbJQDb4zApvlTCMZvkHQJJiwAtdXaCM+uxBQt3p1Al2JKCMRtL8Pwq04ANut8Ccuf5IQyFIBBh0qNDMHIlGQlggDBRao1DsB3dIQlFGCBJlRAEclErKQWsvGB1soEE8UEUGQzrHoAZlHaCsru3KQxB65AZnu0BMt4qHQbtj7AdzM3CsWJ8KQdUwyAlVvVD8+K+IQ4ul/AxIgUDcDMhCQBRMEBxn90C85gXGQ result_proc0003_0005 > LdJ6nA9tayCMWt/AQLDyjAhF96C8PYl2PmLJhAlghRC803gjPmSQjAl6PNCsUtH4vYWoTAJO0WDMcot3PwKuXA1GrCE8azw6PXIgDAVRGPE8jrZ7PQ9MHAJtAlE8+91+PENjNAdvA1E8DvW4P580QABTTxE82j7mvT2eQAB/bIFM9ER8PqOHkA5QH/CM0HMEQUn5pAhUAMD8Q0DrPIWoIA13vJDsXVx9Pq7eLAdSWWDMkKZJPc+8gAB9/JE8C5ZxPI8pfAxefDEMluQBQlQex/wJiHEMt0jAQdD33/4KhPEMA9NuPkH2EARFfoEslBVDQ8glOA58ciE8fntxvqZlVAtuS9EsgQd1vtj9NAxkSLFMCEECQGIPVAF/aUFM0I02P result_proc0003_0005 > LBECZAhdHmBMnyd2PI+wUAZ6WRAcheYrP5WikANV7R/Loy6kvTF3kAZbfc+bq636vz14KA1jmv+rChZ7PlXzIAdal32jqKK4PPosBAVFMU+zFbnBQBKSaA5DvW+jPlSFQuF2UAJ+1yBcn33+PIDdJAhp6XAcxJ9uvzM+1/wFde/7ZPb9PdElUA1SH1+LLuUBQ9b7XANHKg7zlrrxPskG5/gGj/4TcDBoP4XcYAdRTm/Ti/aIQZWbeAJAvk4jDAfGQkhfjA1B2K/DfAyCQ result_proc0003_0005 > Lqd0sABpXJ/7hQDyPGy62ARCI29rn7wmPqkg7AlflR/LEDE4vvkW/ANne49rvSZ/v9+6+AJ7aC+b6eA7P1gGsAV8X6/Ll8d8P5CY1AlUqo2jDT9IvvcNDBRn7O8Ldpg4PoQu7AlhW27rxV8AQOjLABNrqDAM6lM9P result_proc0003_0005 > LJbF7AR/v9A8VFP4vz8S/AtlAvBcQemAwZ944ABsfeBcajrFw+Sa9AtVCWBcJvAJwxHI/ABXInCssTr+vCAnDBhjb1CMQDq0vwtUDBVKRkD8zkxwvAd/GBplwxDM0r8vPeLPMBlJq5Dcq1AqPdZXOB5NS1DchkG2vSkPPBNw5CE83zp6Phlw3Ap1AdB8IE9nv/2xDB1PkbBMS7SBwjqN3AtKJwCMP/z7voVVABNTT5CcHt+Cw6roHBZjrtCcz+D5vkh0CBxS/kCs+hohP/vj+Ap44sDcwHqnvdzWEB5HV1DMK3s7vk/fFBNWe1Dcg0c7PcVEMBBAAsDMFAS9v2/SSBBGN7D84cK4vY0mNBhYlEE8HBABQmBLTBdF3FE8zri5P result_proc0003_0005 > LZkVuAp69ZBcSEHFw7nQnARzeNBctw1IwMnnoAtK6o/blLCKwOzIoAZYeS/LJ9dMwDNZXAlDtcB8V7CIwQUySAZLocC82n6GwWwwdARcV5CMIvdIwlPwCA1ibkCccYsDwqpIrA5CUfBc6oaBwvQbpAhjh7Bsy4YKwosmTAZVx2AM2ZjEwM23MAFzXHBMatpJwWs59/8qoCDsrLxCwwcn0/ssNMC8QAKCw result_proc0003_0005 > L7bUqAp0HV9bnoTIwCDorAFmTM8Tb4LJwv1+2AR1cO9jXZKKwp484AJ8Ag/jGjqLwW0ApA9eIC/jrt0FwJRtVAV2Lm/DCD2EwW5tqA9aoF+bwwqEwXmGmAh0p78zIP1Kw4UUsARCNR+zSrFCw13xsAdMteAUD6mGw result_proc0003_0005 > LWtb+AF9aZ0LsOTJwjwyEBJcAx2D2fHKwb8lFBVQFL7rWo+MwJR3HBtc1f6TsApOwsjaIBVMV087DTOIwoPWOBh2re87Iv4IwOqzRB9Xrq+70GxFwpPrPBpLTv/7OBACw0slWBZB1r+rXbeGwoOU8AZntI9bFBDIwS26FBdfyR+z7sBKwtw3HBxK1v6rrkXEw+HRHBNqwg/rDVQIw6CBPBBrTH+rSs2KwvGhPBpOTb7TnY+Iw result_proc0003_0005 > LJstDB1cuN/7FqiNwdNaEBhSaNAcxkFQw7h3ABx5BcB8uIQQwUxI7A55GeBsb4HRwYGYBBlX8LCMGbBPw8AOKB1CwlAMRKTQw9B8KBtcjNBsQsiRwxMwBB5C6HA8W9GMwFARDB1DF9+Lj+1Qw0MtMBJ2LZ/rXkPQwt6fLBRivQBcXgAPwH3FLBF1OgAchHMSw result_proc0003_0005 157,158c157,158 < SCORE: -27.049 -172.725 20.351 143.007 0.347 8.515 -7.434 -46.296 0.048 -21.750 0.000 -4.318 -6.109 -1.823 1.537 60.260 -3.203 0.000 -6.803 9.347 8.640 result_proc0003_0001 < ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]PC[CYS:disulfide]EDLKERLKKLGMSEEC[CYS:disulfide]RQRLEKMC[CYS:disulfide]KEGTSEDAERMARNC[CYS:disulfide]ES[SER:CtermProteinFull] result_proc0003_0001 --- > SCORE: -28.539 -174.545 24.820 153.463 0.346 9.652 -4.473 -59.307 0.122 -18.070 -1.570 -5.864 -7.080 0.204 3.939 56.035 -5.159 0.000 -6.803 5.751 8.415 result_proc0003_0004 > ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]PC[CYS:disulfide]EDLKERLKKLGMSEEC[CYS:disulfide]RQRLEKMC[CYS:disulfide]KEGTSEDAERMARNC[CYS:disulfide]ES[SER:CtermProteinFull] result_proc0003_0004 161,204c161,204 < LPOxXBN9y0E0zKM/P8E2UBBWr+EUjr/DQBJcTBpvSuEEHAJIQFZETBdOKbEkhDLHQJczPBVWiJF07e7BQW1oYBJx4/Ek3Ss5PrKKbBlHXuEkMz+AQONhVBVoWpEUVy37PkHbXB5XtKF0zM0FQugqNBFq1QFkQuQFQu44QBxu2VFUOFF+PBrPNBlFu9EUgfAAQ result_proc0003_0001 < LnUqSB9S61EkB0lKQnDFRBV4DoEkPMzMQHfFMBp4PbE0WtGMQyqaIBxLajEUKX0KQtmBQBdR73E0N0EPQO6mTBx4WKF0J4dOQ+DYTBx9fMFEJFeLQ6prSB9JK2E0hQlKQ7jaUBZITdEUqETNQPRxLBhTZ8EUu9GPQW86QBRWZwEk0ZgQQAoMSB1izYFUuagPQOMrXBZLIHF06/MPQCT8PBddjWF0BT6KQLeIXBxOjTFkqPvKQ result_proc0003_0001 < LcE+LBtpIHE0vq9MQ3BWHBNNxyDEJFhMQ0zpCBNmBAEkemROQ27LDBBbwBE0L0WQQ+JwIB1jCEDUjhFNQz4SDB95DfCEZeiMQkyKPBxBOBEUT48NQ1TJGBlJl1DEtZbKQhPFMB9nT6C0PP0LQRQDKBdR0ADkHEKPQ result_proc0003_0001 < LFTH8AFmuDE00gBNQKddyAd5tJEEtpeOQ/JPpAx+T1DERL1NQfZZpApEFfD0FIzLQDUSvANGxgEUXY0NQd1Y3Ap4hxEU/ssOQ07qzA9RCIF0c7LOQRoUuAZjeLFEFMOMQ3wL2AhuzVF0wywPQwkz7Al9WCEEtyALQ0UG0ABmmIEkyuTQQutKuAt0YiEUomqLQP/qnA9dgkE0+cxOQUR64AxBovE0KmaQQsS4+AFczuEEj8oNQ result_proc0003_0001 < L23MhAdau0D0qekPQDyGQA9mSYDUK2OPQv+s6/MdkvDULL8NQS5XM/Yz9gDkZLFOQ66LJAZKuFDkiv9QQ/fEaAhlwoC09glRQ4+shABV2PC08p3QQ/+ddAF10rC0BXxSQI6bhABkPEEUuWlQQwkzUAlqA+CUqF7NQOCwFAZKvfD07JqRQag90/UlZzCEUj1QQ result_proc0003_0001 < LYt9BA9i7JEUYnrMQ0yJj/YRVWEUDUTLQBvTW/4rqNEkC6fIQypH1/sJyQE0SIYFQnrdw/4x6tE0Q5ILQBqQA/It98Ek+NzJQJwxS/iDA9E0iOZLQYoAj/44WTFUm6nJQc2NRAVTRPEE7irMQ3fsL+82LVE0L0bMQTtF2/cGzzEU2IKNQa2LHAhq/uEkdoBKQeUpj+ASK3EU3nlHQxgXw/+KsHFENVcKQPogm/OR2sEEGJdLQ84JG/mhfCFUmIbNQvDJw+MNDeFU66qIQFpMq/0zLZFEDRoLQXwKAARQ6SFUVccIQ result_proc0003_0001 < LP6uj+eexCEEKuJIQxmHE/im8uDE3KVDQ1lXl/qxcGEUwOW+PftIr/ybbAEUMhKyPjAMw/SoQJD045WEQnd3OArtEWDkdV0FQ7SRcALpNvCkLbTHQfRcpAv0D8C0xWcIQmevvA7o/WCEcscJQHGNd/+rTCE0YkpJQliyv+EdoiDEmLuBQxXsx/2fI1CkPOzAQPTkj/Cvt1CUx3mHQS9hOAzUHsDUHYmIQdeSWAnZQmDkNsbCQ4uDdAznYZCEY35DQo1zUAL4geCUErUJQqfGpATcYUDU8BAKQG2itAbjoJDEzvbFQsLL3AT70gCkny8JQsNPwA/5cAC0PTAIQNOGsAXUgKCEzrELQ result_proc0003_0001 < LK5Tv/Ci/ZEEez2AQbvICAr+dpEEr7u6PZX1o/qDcuEUVJkfP96L5/CImwEEX913vic9GAbTH+EUnbbAQyErYArLE8EEn1kEQ4xHdAPjsQF0QedHQQqsRAfu3fFEyzkGQm8+lAHESRF0zvRJQnaKo/WMPeE0JppEQcTMRATRniEk8063P8AGx/mXhDFUmpeCQwZlLALOnKFUN1O7PfrojA3Oz2E0zrlCQckKUA/J3vEURVeHQ result_proc0003_0001 < LHMN+8ISPwEkmLwqPAIsd/gPq0EUeS/zvBrpe/ULgiEUZ1H+viYTi/MwPmEkSZ4DwXn6FAlQA4EkwCMlvLNXJAV4FNFUYOVwPCVOgApfaSFELJOyPEq7lAVo+CFkikr7PBm0nAJNSFFktVHDQ6lakAZ5bWFkuzoFQAZGtAZbT2EUmIwFQ8uZx+Q/fuEEW2M6PkaaJ/0RRDFUaHC6vPI1JAZKKrEELPnvPUJZRAxTR3EEJGN4v6KeBAhB8ZFkx+LOvO1oCANMDMF0PzM8Puy2jAV+gSF0XIQrv11GhAZWJiFUabw4P5UroAFak1EUuDF4PMYYgAxy4hFk6xnDQZO1lAlfKYF044yIQ1BuvAJVHpE0/9zDQN+guAl9B4E0we2IQ result_proc0003_0001 < L1awY/IY0OEE6QL6vFvVa/8AC4DE6diAwOkmj+uFt3Dku+VEwKxCE+2qGtD0duhIwmIIa/cfGPDEQfT6vXsZCAhm8HD09STtvc7f9/0+mhCkOw3vPjb1VA5wFBDEG8c6vrACT/EE1ME0Jgwovq5Z6/wb24DEkQ6Cwo75J908xPDkzTFyvkO/T/AeqzCUFeo/vojAFAZg5jDUko1lPzi3MAl1hcCkRa74PDb5h/AyonCkxSF5PyAq3/AUNFCEWz6dvLx+hA94B8CEg2+yvpMQTA9oHlCEsJg/v1PPYA1lMdDE2be/v result_proc0003_0001 < L53Ru/SFsBEULeRCwY0TKA7bnDEkd6jFwnRQHALFIUEUKS/IwWlkNAjalQEkJ0RLwOsndAbFjJE045GCwysUpArxELEUyZKFwp1nyA/T1PE0l8aBwY/F9AHz3REkR4eEw/gIDBzCiWEU+w3AwZrLw/a13EEk03o8vSfZNA7OaoDUvIdHwfanfA3hW7D0gy59veOxaArW8YE0D3LAwXpxoAjvxXEURhEIwPT2qAfIC4D0oMOHwHlXzAvf+CEUvL/8vxTGxAHoveE0+al+v0Tb8ALTteEkAMaHwNGt+AvrADEkGenGwkahGBXQwXE0kPDDwpvhDBPCkKE0sXX8vx8dCBLNckEEof29v result_proc0003_0001 < LeyD7/miLmEUBcSIw5TFz/myP3E0omNKwFtKH/KdHwE0ICXMwJ+dQ/anr1EkLCtOwmmRi/6/OLFEA1yIwMhkBAnZgWF0ZSFGwJWfv/yQhpFEpwLDwa+3HAffM0FkCc++vKIb8/+DHDGkLV44vigjx/+cIoEkpuvEw97lIAPRO7EUSpMLwjw4Y+G+7GFUsiEHwGPzN/C0sWFk8oRKwzrzOAnCHcF0IzRIwjn1HATmSLFUHxIDwGBSI/WTKkF0W40AwD5Vk/ynN1FEKlGGwTrOVALMS6FE+c1Bw23DOAHIdoFkqXU5vbhZJA3SbGGEHYKwvNH9j/eSWAGEQ6vwvURYx/SnrIGEgfC+v result_proc0003_0001 < L6h8x+UQxjEUN9iLwvrls/M/qbE0S4ZNwc8sR/46PME0BkaPwANGk/EnZME0Qy4QwEJUIAdkaQE00n3LwGhNXAxdFfE01wQKwO6/iAh8iREkpBiIw8V+hAtPItEUT6KMwb1u6+4M5fE0fwlJwBCF6/UJKpEUC1fOwc8MBA9XCFEEZveKwgtHSAVGkHEU0sSNwSBuNAtpKpEkm37IwVlSoA5I+bEEH1xGw9necANb5HEE5aUGw06wnAxZFHEUqazJww5QnA1Ok3E0gyBLwU0umAFFEjEUUvfNwmz/YANe12E0M1WNw result_proc0003_0001 < LYoGF+Ws49DUt5dOw/Z4W/aWJgDELiGQwuBZ7/WEYFDUX/nOwdajQA33IDDUblUPws7ut+aLR+D0UhfMwNCIs/+J9xDkrW4QwMhXE+qHNLDErXmQw result_proc0003_0001 < L+CFs/WYGxCkIofMw2xWDAzQlUCEOU5KwJsn0/ioJPCExkFIwpO32+uUwOCU9yZHw8/eFAHHVSBUNeRMwikwTAfUySA0V0zKwe6zWAHNP98jhamMwB4ljAv4oh+TfHWPw8Wx0+anj1Cke+9Lw6TNTAryyiCktPtKwxl+LAXKNbBUjmROw3OZr/CVX1AUVGfMwVa+MAnH8EA0UY2IwFByhAP9vuAk6NhKw1IPlA7atR7TXdUQwVAHrAT9SV/DgilOwTz1eAf1FCAk7hPQw result_proc0003_0001 < LyaiIAzG+KCUloQEwt4/BAvPIEC0RHd9vcTPEAb0iqAEfgS6vU/fp/aQ5z/D0Wn6v7gQPAHA1fCk59C0vN2hiAv58VCk02x1vLiSYAntkMC0A8IFwaPbi/O2KNCk3pq8v5W/JA3iAbCEo9yoPiguMA33aBDEmY83vZ7FmATy+mCU+jpkv result_proc0003_0001 < LRHnXAHdhRAUe5c2vksjbAvFrt9zO3vsvqOybALR052LwjP8vONSmAbfZi8bdgA/vUUZoArcBh9DVhlrPAr0oAfHDj/ToNv8PahfzAbNUe/jz9IBQ42/5Avvkr9TPOZ/P7+I1AvdshA0tKtEQPd9hAXdO7Akcia3vq3qOAXRup8DVEMpPC24uAfDdW+j64rpvkU+pAPmKT476/7yP9ZqiAbEQ6+DCVLBQroDnArJDzAkjTW6P result_proc0003_0001 < LFgDJAL9Bx6rg1aAwbH6GAzksr+rtVpEwkM3FATsAwAsh+VCwd8Kz/qPLBBs7mS9v800l/GXNI+rmAAIwnl8g/22c7/bn4bKw7Y6Q+soPS/LXYEMwVm4f/4u+d9rnWKLw0eho+YHELA85cOOw8r73/ufHn4j3da+vnx6UAfGxj+LO+OHwpiXm/Sfs+zrthsIwMAll+iX2X+7VZhFwnB6d/qVBABsHVxJwIbT9/CMvu/rO7rLw result_proc0003_0001 < LFF0SAvicpB8HUjEwAD4UAXB5fCszmZCw3K1BAv1l7CMmH+Dwsl/DA/DqZDscxGHw0TvkA7T60CMRDZEwvRFoA32QmDM4CABwVAdbALs3YBsOhzHwpahVAnp2dCcGcG8v+HarAf1yeC8Ep4DwBzBkA3Vw7Ccf1UIw result_proc0003_0001 < LUJsc/6LSxC8ZfxBw/Aok+k4KHDM/RPDwNzg3+4+MxDMwdNAwVPio/81B1D817O5vrxvv/we5qCMquGCwL3Gy/IdTCC8UdcFwI+kMAlxFSBMZ3NEwFr3NA9WvEAs4ybHwtQqeAdMVd+7r3dHwKJtnANOr8+LdNcEwLpSeApQ2d4rHTRJwWaoa/adrZCcxIC+vEG+g+YEHOD8OwgHw4wnv/0AdhCs1v07va0gGA5Q/8C8nJ0Cwinry/YtqKCcSs1Iws/aM/QAycBcI2nEwb4bMA9dj/Asz+AAwRLuaAhQu4BMtoBFwp4RBAtKEt/75F6Iw4K2nARd7SA8I1FCwUz/tARMQX9r+wdEwESaRA9t5L0DjwbKwOwblAprF17j2ESJw result_proc0003_0001 < L+tnw+2+VIEcotrBw0zH0+6dwcEsAau9vBV9X/2awuEciWhCwGBgk/6JRrE8P7PHw8AIq/WSYbEsj7kvvJDWMAzjqWEce670vjULaA3tfVEMqa8tPrV6SAblnOEc05/7PCfHnAj/NcEsjP6pPMTsf/aGHGEcCn1EwmAsG/4CggEMk8E7vHV3o/uBcqE86EyXPSDEd/W92OEMIKgjPUEUNA75UHEMQvl6vSFjSAPdWjEcncl7ve3DsALD1bEcnix4PgGvpAbLrhEs4VJxv result_proc0003_0001 < LtLNe/2NBCFMFoTAwJNqv/O7UUFsORRDwk/+LAfybOFMTOXGwYATaATn4DFcwpPEw7Ne5/CqymF8Ts/+v172E/erNxFcRX85v0wGd/WekBGssDBrvliLV+8leGGMZI4oPRTdI+85wOGcbcG5P7+Bg/6+9SGs5Rv7PfHyo/smqSGc2uM9PjPiL/K+BEFcJY84vlBpO/WYhZF8hNHGwMu/GAvbLhFMUWi4vxKeFAz+LzF8tspBwaXbl9UAg3FM5nGAwSHJ+8SgXlFczegyvAbbz/yUM9F8/9PuP5QTv/q8rHGsEJr2vf0wj/8ZdDG827RUPHxV7/GH/PGMOym4PlQOh/OaLZGcpqcAQkspCANsbPGct5K7Pl4ln/sz3YG8KTLBQ result_proc0003_0001 < LYxANAT1TVFcRVsJw/5+dAX/bOFcY+fLwVFkpArrQZFsUV0KwdHTtA7mQnFMGsRMwO53XA3LcTFMe3ZOwVnVDAztvIFswBbPwceI+/aOwPFcNRJRw+2oFAfnjwE8+OPPwWxvBAD9jfFcngXKwDJBgAjXN9E8tkSLwzW4VA/1qkFco8mOwRTeiAnAbOFceAtPwphpr/mg5NFcz+MOwuY8g/C/JIF8qagRwM4W6/GYFhFsxaLRwIYdMA/zCLF86txRwIlEu/6E9oEsWd9Pw3hITA3oYrEcJsOQwjLZIAvJ+rEcQbKNw result_proc0003_0001 < L51WuArfsSFMP6lIwerd4AbA5bF8RgZHwuf0ABz3GMFsfbDIwyQ4/Abv54EsNIYIwDIs3A30tiFsnFiBwuHavA/xB0FMTMcAwCTLvALH86FM3iuyvpcW1A7aqyFcY26cPWL0oAjiQEGsEg7qv8P6qAvJCHF8H2+Gw/xK6Ar6+pFM6Z6IwZJs1A/O4UFc7YJ+vv7b/ADAqoFsuKMAwV1LxADY8AGspn7CwininAPfDuF8adkBw result_proc0003_0001 < L9IuFBTYUUF88z+HwF1dKBD70GF8LeKIwXLrKB/732Es0buDwgIpNBPYLnEMuC7Dw4HiPBrjiUF8/3LIw2VqQBPVGgFsIOIDwcHqVB/c5tFswWiDwGC5WBv554Fsp/f8v1tsbBDpbDGcI9P9vO7KGBTaUkFc5yoHwKOSKBDow9EszlBKwWy+SB7EgKF8KHpIwWwOPBvyjgF8qiwJwj5QNBf8PqFM9oGCwRlNRBHpZUFMy54/vqtDZBbO8jFM33qEwNRFVBX/C6FcdHnGws3eTBb+TBGce2F6vHFlXBr93sFcIcr0v3WYcBHG7GGcUcL0vO95eBbz89FsleV/v4DFbBv8IJG8ZmaBw result_proc0003_0001 < LJYgHBfA/6Es/yK/vg8lHBzI1tEcCzEzvzWDGBvuxWE8ODB4v8ZXHBnfHIEMDK5nvhr2DBPcN3E8VpprPt1rFBHDiMFM3nC3PxmXMBboYLFs8R78PhkgLBDJH4E86OsDQRL+EBj6iHFsvfj/vv6pLB/pttEMusfpvOly/APrh5EsIBgYvagcDBje8rEsouh5PCnlFB3/sYFM1dRiP1x9CBLyaRFcRY49PHqTPB3Aq1Es9ovFQVQiIBvy69E8TQiGQIDKKBP1/oEsVy+BQ result_proc0003_0001 < LRoQDBzArTEMeodAwSYkBBP7u8D8aXICwZTXGBvbtfD8dOHDwTF1FBz/k4Cs3ATDwm/Y8ADXN/DMuOOHwCn6uAHvQJEMtRKGwSJSCB/iZgEM4MwCwpbR+A3y1uDs2V69vW1IABH9KKEMSHDJwEZ47A3QlfDMQVhIw result_proc0003_0001 < L9RDLBPJHzDsLevDwfM+PBLIAbD8RtlEwuYaSBjv2MD8Bml+vv7JWB7hRzCc+uX+v0eAUB/0q1D8dawHwBDPSBP/XAEMaXtKwHKaWBPJ6NEsnzIMwRapUBn3bTEMa69OwMcqYBH25gEMMHMQw2aNLBvnsJEsvToDw9UBPB79T+CsZh4GwfOyUB/9xJEc2UpFwKSyXBDkYkDsu5AIwr5lRBPWXjDM301Lw0seOBTzMJEs9joKwM8DXBzGscEs7iBLwARLaBbYKFE8UwOMwM1CUBb9wEEMMTDQw5E3QB36DcEsjb5Ow1NWXB3zNkEceyHRwMxMZBfUtuEsBHXPwVBLcBXu8YEM1rPQw result_proc0003_0001 < L8URQBzjpdD8P5nzv97XSBzQIUDcH5mxPlPXOB3im6Cc0MZ7P/J3PBH1ldCsa/qAQAp0TB/8h9DMblq6PcSPYBTBvLEspWtyPHFlZB7G3fEMIsX7P8TMYBbvThE81DTCQUo/bBP3ztE8Czd1PgqGNBzehxDc9mB1vk6+VBXL3ADcXvnvP/pSQBDi7IEM1uQ7P03GVBTGC2Ds4HZBQSo0bBzB4BEcw4jxPZi/WBf93PE8I37qv result_proc0003_0001 < LXfQJBLjkFDMwET6PGoCFBPJ3wCcxHPAQeTV/ATRsGDcUSs+P8/w+AnY+oDM6+35PEbRIB/x2cDMGuGyPlCxEB7XSPCsfmL+P19DGB/DwxCs1PeEQ result_proc0003_0001 < LnV02A/WoyCcuaTBQnfBsAvbODDcEtiAQcpzmAf0JODsBH4FQlSZmATalzC8/MwIQjX/kAT28iCM4E/6PgaupAf2xZC8LPucP+jnTAzU80C8MxT5PjW23AzULXCsmzXDQOygsADlhgDMh+X8PmHckADyTFCcs7i/P+dsrAPYG0C8OWlqvY15JAjssdCc6t+xPqbTMAb5m7CMwehAQqomUAbUbSDMKAYxP result_proc0003_0001 < LgC1iAbna1Dc19UGQaLZcAnFZCEcVWqJQHIQFAnEP2D8eN9JQswS8/qTOrDcfaJMQ/XjdALtmaEsiKyJQKtapAjcmhEssH5JQ9KBjAn9jEEsNIIDQ2DziAbdj3DcPjULQcUuVAbIYhEMe7BIQjM8UAj2RgE81iiLQWrHpA/z8wE83A7JQ result_proc0003_0001 < Li9Gz/6rQ2DMoZeHQrofN+2anrDcE6iHQxv8C98Ad7Cccu8HQx5Zl/ErOsCshFDIQ6exA/sM38DsdkhCQx7k/+sAtWEMW7BCQeaGp/QmohEMNLXGQn8nGARosbE8lLNHQ3CXQ/8b8vEctmaIQL4kAAPY29DcAl9DQbeVj+wvh6D8hfhJQ4OS88c+pvDctd99Pw2qx/ogbyDsafeCQ2jQC/yjQcE8s/MCQbC5Z/4uKbEc+7S8P result_proc0003_0001 < Lt1Ei/uYmjCcBCEIQT4Cg/2LLqBc9MQIQsdNg+CYJOBMqZwKQjzqu+Qo9JAsMozKQFsjGALh0DBcQ8QIQ5kmGAHygG/r0MtHQAHXAAPWpO+raneDQOK4MAfwdZ9LgAqJQ2d9+/m6DyCccm/HQeLe7+iq0RBsG0BFQVwEQATzThBsV5XFQYHWOAXxHSBc8gKKQ result_proc0003_0001 < LlQan+G0kBCMoM1MQAn7p+0/kuBM2CYPQJdL6/8FCeBMNMBPQhHxGAt8ztAMdaRQQYZI09kmLbCMBPsQQ6ybT/6YkdCcOBpMQXqUA+GbG0A8EmEQQaqQF/45BTCsrsoRQUb8d/WAefCsFk2QQEd1B/giw4CcCiTQQ result_proc0003_0001 < LgQfGAN5JDCcVp/MQ4jQdARHY8B8/RcMQnydgAV+uIBMfi5JQZwwnApx/TAM74wJQ7FAkAFmAqCc+PMMQ+g2vApIPoC89/fLQyOU1A5X3SDc7mxLQLQswApeMvD8zR8MQPQI+AVzGXDssS0KQ9uQ7/YkZWCMgtzLQTTSiAVb6ZBcToGOQuvKjAF/Z7CchdEOQ959fAhAp8CsVWpKQc2uwAtwHdCcBjcJQjTwzAlxHRCM/kzMQ result_proc0003_0001 < L/wmTA5hNYBcPYxHQCp0WABgkyAcxvfCQ9i/UARm0i+L4ssCQbvsgAJiVP8r0WJAQaNlGA5YuVBMl1D9PLqWJAxc7ZC89rT6PWElcA9jQhCcA+QuPunwcAdx9LDsHCagvGSNnAtpKgD8WWPxvexkwAlPLNDs1YGwvyzcmARZiDE82as4vr76GARdD/BMRMMIQPkajAVYRDBcJFHBQ4bAt/cyeNBMmMIAQH5fHAxzixA8SGPzP/9GLAJLbsCMy00AQJ+s2/w6KlCcjZ2zPd51cAZhGKCM73yrvk6dlAhCidCM54a4P95oOABsmbDMCJ/kv50JxAxwbvCsjD+evKLM3AxJUcDcPwc1vbofeAFt1KE8OeI5vN+DtA5kGLE8YgX7v result_proc0003_0001 < L8rcFAR3MI9bk5vFQaRWBAVDjm8T/YGGQ6yjUAtjAy+Dd0MIQZyRZAp1JhA01B0GQ7iyV/kuxp9j3kvIQGw+1+8aAYAUpN4IQ7Bda8s7pDBky1RDQwY8z/GdMYAk9nRCQDBe4/Abj1+75N4HQfAK9/QHQE+TZ8ECQT8uD7EyHw6DD/4HQiPeg/IzZR8z4HyKQHxq5+eGWeAUOzKKQmJZn/Ub09A0GEvJQ96LAAXWftAUjQ28PvATy/eb7k+DUYVCQiGkEAPaHuAkFbdFQ result_proc0003_0001 < LvcmfAZ2//8TdzEKQJSgpANZTo+jC7OLQoHhyAps9u+jg3LJQ3k73A99qYAUCx5IQgL8sAFCzC8Di5qNQPmaaAR+Pb47NutKQ5KxnAd3kVA0Xn2LQ2gM0ABU6x9zNzgOQTHmmAZIFI8TalKPQvhfuABr7E87nPFNQ result_proc0003_0001 < LSxF0ABsjG6DoUhHQiVn8A56Eu4j7qjDQqf26AFK+T+z9r/9PvbPBBl/DQ/Ta7B5PcTT9ARN1e+bZeTBQim4ABlr5RAsqHJFQVNTBBlUfnB8wxlCQlbYDBt2vTCsd3QGQsgnIBJ+haCc2/NHQXmPMBxkWDCMv1vEQg4GKBtHf4C84eUJQZXQvAx4XI8LXrDIQ88FCBBMBR7TaLgFQZYX1AV7OJ/73xFAQJLLBBhKue+LM1f7Pic3EBZbB9/bSacGQ4ih8A5URXAssmTIQwUt6AdyH8BcO3QBQmu+DBRe1jBMcvU+P3itABNrNmCsZsHIQjsGLBlL6YBMYdICQwtKQBR6bICcwpdFQZaUHBJ0TKD8tSRKQ22BOBZRk9CsEYrJQ result_proc0003_0001 < LRxvwAZct7+z1307Pj86tA9NHVAkFqcrPJ90xARdTwBUTCXxPRPIyApOCSCEp58qvZh7hAhm3TAksKafPPnUcAlquC+zJgyvvYHjkA9bcA6jk6T4vzmzHA9bjF9TKcStvHu3qARfIM+TRQQAQrV6xA5XZ6/z+zmwvK/hbAlFddAEfZi4PqmdfAh8mIBkBFnwvze4BA1MSS2rKx50vREH8/c/L2+jxABRP result_proc0003_0001 < LyI00ARVzBCUl3l+PE2E4ARMAtCkosxAQ9KGBBJMU6CU1Zo7PhJUCBppUgDkTfw6PmMB6AZzBwCU2WzGQUrHDB1llWCE8egIQ/500AZaOVBEYCHCQTVqxABsCDDkU7a/P21U6ABikRDECf/HQeRXzA16RhC0dzdIQ result_proc0003_0001 < Lp+BEBZSzaCUKWJ3PBLLJBxD6iCk0e2pPIVeIBxX6tCEv1U5vzrLMBdJb9CEh9g+vou1MB9c63BEm4duPRzdOBdmxjBEw/E/PBwYSBV0EbA0eD1/P410TBdQpx/D3nU3PHh8TB5kwFAkxsSEQKcqCBJS54BEckC4P+cDLBplJ+Cksu00PPY2KBJ6k/A0O1ZTPQseQBVxCBCU9ZGgvkiQQBBYVOCUH7TBQOb5KB1u6TBkhU1BQ result_proc0003_0001 < LAisDBt4ylCUc7g9vCWpCBpmCrCEcNdEwvse5AdUkkCkD2tFwz8Z0A9Z/ADEkhtHw84P1Al3CDC0AstEwdU/FB54sLCU3NqHwV53EBt7BPC0UXkKwlstABZ0ubCU8Yr4v95vDBVNiLDUz+mFwdCOKB1y/RCE2j9Gw8CLFB51dWB0YWTGwMQrHBtKVgCEIDULw result_proc0003_0001 --- > L2GEoABaDTDUAvBOwzEAvAZkpuCUbmdNwgDu6Ahx/7C0+NaNwyHV+AlQqUDU5pGPw/ZQtAV8bLCUjNhPws/bgABlZJD0MMDOwA3BpAp0TpDEfEnMw5h9pAZDdfDktwzPwoF9sABNXiCU3LfLwUefyApa9gB0wgEPw5h8kA996ACEH7cPww9EvAlpoXCE2OwQw result_proc0003_0004 > LbIUABBljrCUIFdLwFRv8AtYnICUvNyJwYUW2AxxdZC0d+0Gwmq+xAhCv8CE5KBHwEKiDBdTClBk3g4IwA2hHBlR2VC0EIvIwAmLGBFoQyCUCqELwE5YABx/DrCUllaLwBG03AVq8lBUjdALwBw5CBRdLFBEjL5FwI4pEBpMAzAEP2UKwYRNHBxEimC0kJnFwzFnLBNq1ICkHf2IwzFFHBBVuTDELyjKwOtfIBp1IoCUyW1Mw result_proc0003_0004 > LPV11A1NDAC0ZykCwZwLuAVDlHCEHEj8vXwIwAhQqyC0+kY2vtF7pApyaADUEv0TvHS4uA5pNIBESoTwvkPPsApuX8+Tg5U5vEu36Ax0uNBEaIUCwukJmABQjHCUPG8/v1E22A9n/HB0l3mZvntKpA9K7UBU1K9oP result_proc0003_0004 > LWkz4Ads1HD0HqU6v6LS7AJ2byDUbTh0vnigyARmIJEUzXH5vDyPyAR3+aE07p6xvydADB9i9AEk7Ct6v977CBx2RGE0RwSDwyqTIBBiONEkgcXFw4S/LBJnaOEUwOQCwXquIBxjWRE0CQCJwLsz9AB0E6CU24p/vmO27A5NxwD0fivpPvWREBNYQPEEYPy0vLsCGBlAbpDkX5Z5vcKpBB5vYwDU+ygFwPJCABVw9SEUUr/Dw result_proc0003_0004 > LpGVrAJTkCEULeHAwsP6hAZ5TPEUnaaBwO7fYAlG7WEE7ju4vBHVPAlWWoE0wwf4vrwQUA9sZCE0Ol3EwSEzcA90Q8DUUIPJwBTBmAJjUIEUIKAKw9p/TAplchDUQWlKwrSbsAZywoD0qO+BwkEekAJcWdEEJdqDwJp7QAVaOmDkMO8Cw0/IFAVEALEEh2MFw result_proc0003_0004 > LIdMZAZowJEUI/aUvg7gNAlBSOEk67c5PhENWARDNiEUAz9+PqhkLA5aorEkoG5CQy73OAhSO2DEKriAQsujDAV1WNDUvBU9P3jHIAJgMpC0e4kCQoAlO/IjrVD0LHZ8P/XBhA19i4DU4aDevxbk5/4DFREU1342PZYqfARkduD03tLBQTw5HAlTY/DUktXEQyE2JANa5DDUJiDzP2FFAAZ1JMCUTHPBQGxTZAxggjC0oKxCQfEPCAlA+xCE11hGQuzoZ+A0o4CkXLt5PWPtq+ISGfDkMoFCQxxUD/4NRvD02PR1P result_proc0003_0004 > LJAzkApqioEEvR+7Pse5pAJlT7EEUPVAQ07tlAZs2PF03hn7P57anAlaVhFE0w0/PxXD2ABc/5EUjpa/PaHP7AVegnE0PvtCQhloDBJQ/mEketzBQhKOGB19XUEkrbwEQW7GMBltoTEkfU5DQi/uoA5NJgE0Wvm0PAk+nA5Wx7E0rdlEQvnE4ANxU4E00Y81PhPr5A9nzIFEpNIBQT1q5AB6LpEExF/GQCwy3A9OcYEUT3WBQcLdEBBpblEkWKF7PjlZFBpY51EEpNODQM/bFBRD2VEUz0gIQP9eEBZFYFE0AjXDQuyqNBVBGHEUGU6FQFe4MBBF+REECp5/P0oxNBlpVhE0PSPFQ result_proc0003_0004 > LoLPgA1ZpNFkRvTqPDN1XAd2DgF08LisvAeB//kqtgF0Q2npvYxnr/AP1xFkoiarvrrveABWjfF0qA4+vW8ZrAhIBhFk39SAwL1euAZIBhFEdBHGwrmgnAFe7eF0KMtIwOa03ANAHjFEr/PHwAVEeAJM1+EEtvUVv2nGeANWluFUtfvYPjKLZAdJxQFExQSBw3VTXAJuzsFkvxkBwd8VuA1qrvFUd458vxWPvABLjTF0iCn8v result_proc0003_0004 > LLRer/AE+NF0HrPivLnaw9ieTMFE5p9cvTNZI/iCsUFEG+y5PRyG19Y8QWFUKD1AQT2SC/utM1E0ZoOpv0LTn+++LsEEDMd9v9vtP/WTiVEUx5P+vUAq3+OIWMEkciUEwoX/R/OC8wDkpV4FwraUu/6k2XDUO2mCw5at5+OSKjDkCbWJwQGS9/k0hAFk28ybvk/GB/uv5VF0zjh2v3KJT7uUArEErIUtPAnMz/62zzEUaauYv+JxX/6Zj1EkchoBw9xVQ/E48sEUnHZ/vpMtd+S0EMEk/9I4vHlV6/GrmUEkoZD9vwejn9QPhVEE1x8GwJaZ2/6lYiDE2C29vJ5n2/u4D6C06oxDwj5Cf941c2DEC+mKwCEdN/2qYFDkCz7Jw result_proc0003_0004 > LOZV9/mPDaFUq195PNjLJA7GFhFUzj4BQRnEOAziNOFU5piFQEhdMAT1s7E0pH6DQjg8dAnqBtFEGTjAQRjYbAnynAGks2Q6P5ProALLQFG0Dng3PoSlNAHvsIGEtgGAQNaPHAvJPZFkEGhsPd078/SK8rF0wf/DQ/NSkAD3KiFULp18Pyv1iALrqxF0PGSEQ3XwTAr0G9FE/PyqP3/wnAr2bMG0DpkrP8nYtAP2u+FUf3etPHtvsAb6RHG0UJM/PZEwLA7d4PGkcrV7PPSNVA3/xKGUlh4DQkjx7/K1OFGU3h4AQ result_proc0003_0004 > LfeDUA/0ATFkS8PJQK1YZALLdCFUvSMLQLrzlAjRZ0E0aQMKQu+LmAf8QhEkFRxKQG7UfA7dfMFkba4NQn1mMAT2iWF050XPQidzTALdYgFETMARQRGIBAzZeqFUo2vRQ8FCIA3Is0FU7UBTQTf7UAHGiiFkJSzJQEfZLATyR4Ek/beLQttrlAD03YFUhnkNQUkLjAbvVAFEaNLPQGIjAAfwWKF0N0xPQVVZFAvN9iFEgsIOQca2fAnDosF0hyzQQWC7aArjCUFEwaoRQUFeq/mdQeFEUO+RQIjSz/q5k2FkChHRQFNb2/u3L7F0Y6eTQW+2SALtIAGEUp0SQONuOAP6jpFUIznTQ result_proc0003_0004 > LoAJtAHQ/9EEc/rIQZ891ALgIyEEZi+GQPDtyArJVoEUgIpBQM1swA//vzEkv/g7PdWs/AXKrAF0eOOGQKI0EBHUT1Ek30IEQf4iJBTbiEFUHcwDQY+gOBbJM5Eke2rBQ4ILTBD56HF0u0RBQ1glsAH35NF0rbXIQinK4AnZGlEELK1IQIy3ABDnJIF0r3AJQTrt9A7OcNFk85aDQvz/DBzNtuEEYrLAQvF2FBjsLoEkDQ0GQCdZKBzBMLFUUzsHQz0jIBHxpRF0lqDBQpwsNBf6fyE0Gmf7PGEjPBL0FsEkJyXEQXcYWB7Az/Ekwjy/P/9AUBL//NF0Fa7EQ/uSSB/c+TF0KXe9P result_proc0003_0004 > LTtLyAr2GTEkvseBQk2KuAzHzHEEkHl5PKjP3AX5V6D0YsrtP3iP/ArpBtDkBdG4Pvm7lAfwxtDE7d78PLnlYATzf+DkCxoBQ5MqKA7v/YDUTlXDQiH/LAbz5OE0c8Z8PcVo0ADolKE0w+rEQliSqAPgVTEUtapwPtn7pADg0VDElf6AQw14iAnIIeDkevgzPx5KeAPlWHEUTPPFQJZ75/iG4kD0q5nFQM9+TArWcDD0je4FQkrCFA3K0HD08Xs/PnVl8/mv2UEkrXdAQDJYGAjvzGEktcayPViPWAH4RcEkigK6P result_proc0003_0004 > LX281AzNQ3D04AN2vDMZ9AD6KfDk3+w9vzh54ADtSzC0L0SAwIqnwAHkImCkq/Y8vwmpvAv++CEk6tk6vWKfCB/qebD0jxj5vQNC/ADvDxDELJiCw result_proc0003_0004 > Ly8Z+ATjwcC0gL3DwUl16A/DclB0z7pFwCfmzAjnnsBUQMRJwaI31A/goOCkjvHLwxzOCBzrisAUHz4GwDYzAB/mYk+TtJVIw7qnGBXf4B6Dno4Iw4LsIBbd261bW+BDwbqnCBnbEpCERxXFwejM2Ar8AIBUtKdCw6QwEBzXlnA0jYWDwu2nEBjLzJBEWdBJw0QB9AfW9p+jAnLKwGLq8ArYLP9jKYnFwCgQMBP/Nw8LyHDDwVPfFBblNS8L3V4AwAjlJBTsai9joTDBw result_proc0003_0004 > Lz/4qA/u47AEDlQJwLnwjALLc3A0s/jLwPTWnArgDl/zrYhNwhSFsAfS8I9Df0uMwfezQAvvslAk+ypKw3lcDA3gvUA0hy1MwchKpArdBZAEYjOHwce8jAfAA1Bk1zlMw+duKA/zucB0TQjJwczuQArCZe/Tm4SJwW6Pq/2ylfAUB/OMw result_proc0003_0004 > LwTElAjuUAAE/lCQwxYDnA3gi+9jJ8DRw5h/hAX8Vt6bXrrQwu2GmAzJbz+LS5BRwpluiAXC26+DolaSwDbVlAD8sH8Tb2kTwYAHxA/7rr7Ts73Twnzq2ALS6y+zsCkTw6Nj0ATkLI8LIdaUw8B4hAboF5AUHCUQwj0qvAnutY9DicJRwln+lAD1YcAknppSwi9GUAf5bH/DdCXSwMpJhAL4Jh9zKzdUws7ZiAbt2v7bS2VTw result_proc0003_0004 > LTpFSA/2yM6rg77PwjhiGAXo+8+ragIPw5WrUAj/dZAsVKeNwttgSATYsnBsoVlNwb47k/eVZN+7V6iNwU06X92ozp7L4DNPwfRSk/At850ryojNw92cg/IDKfq7w7JLwjOnCA9Fam5zK7sOw+dVMADBAh8jHKZPwGJtBArp+AAs7wdQwQhet/eg1T7Lsh8Lwm5UP/ao4//biZnMwJHAj+ArqU+LkZXQw6XJ7+mXZW7zbxGQw result_proc0003_0004 > LIJlhAbbAn/7Bg7LwOxApAn7okAczdSKwhe7vAnkPfBsIJAMwzU/wA3TtVCMzpbLwqHOwAn+zR/LE7qIwWWm5ALVvfAsbuBFwYk8hAfnwL9LGN5Lw3yZkA7Z5LBs4x5IwVNTrAHUt89bQ92GwwNx0ALLfA+L8zBKw result_proc0003_0004 > LIBo0AbZR7AMPsGOwiH37AbIOrBcdR1PwaO01A7AwWCsaSvQw3GE6Ab214CcmXDRwU76ABH2HvA8Tf2QwYD7EBfSko/bp0KQwMHQHBjbDW9bAuHRwSK9KBbHkU2TasdQwobENBry/V+DdUCRwOzzLBnWC++z3gRSw+LaQBXlx3/DboWQwXOJzAL3N6/r4ChOwRp1AB38LGC8eGlOwzaI8AHBAHAMYkYRwHwFDBLFdUB8yHmRwA9KIBLKSaA8B3fPwcn7CBTeCi+LuZvOwPrDEBnQr657jUkRwjfaJBfL4u+7T25RwNSBMB/2fK4bFXBPw3ZQJBTslm9jL6ySwNLZNB7ovTAEj9sSwMMYRBXC/Y/j3dzOwTg/RBnWlwA0GEyQw result_proc0003_0004 > L6L4rAvZiMCMQfFRwKellAL3fnCslo+RwTpPhAHIlODsu2PRwTTCiAfqjyD8/TvRwdBtYArm8NCM2ylSwNNtfADRAXBs2akTwf69kAjb/7BM5T0UwoO6hAHuagCsBVSVweOzsA7EbOBMyQXVwYQmoA76yiBcQLuQwwmwqAvtryCMLIySwPejPAfCM9BsW9yRwMd7NArmojCcGXHTwekrlAPVntA8eHFTwvuvRAbV3xAM2n3Tw8lewAvnmjBMFFMWwy4BvAHB7WAch18Uw result_proc0003_0004 > Li1TZAvUTHD8EjEQwpLaNAXxhoDMyFvOwAo9SAjMGpDccQxLwwSHWAPujFE846lKwLc4q/aD0hDcFLEPwxjEV/Cn7lDchX9Qwqp6c/2JPJEcBndRwvp70+uaeLEM/lzSwIFBk/a8vIEsq+7TwgkZGAv1sDE8+s3TwgAvC/mnJLEMQSHVwQDnaAzy/pC80kTPwmZpRAzpuDEslFmPwQOQi/+lDCDcrTWOw2CUT/OHC5Dc1G2Nwc6Bt/6UBRDM9NnRwLD6Y+A9vcDMnw/QwW21z+O1BUEcEfzQwEYCAATk1NEcxBfRw+cGE/ceWPEMZe5SwowhNArX3BEs2I+Swc97OAfFqBEsz8tUwiR+3+8ECPEctkKVwtqbi/G8GJEsHg9Vw result_proc0003_0004 > LA+IUArcODDschkKw1+ISA7Y5+CsWyWHw4V+jAb+M5CMPvuEwzj7kAD4XkCsBBlAwxLvDAj/tYCclf+FwwyMS/+XxbCMD88HwqtLK9KdklB8hLiGwgI559SrlCDMphcFwGxeWAjPwoCsgSsLws+2KAX/8bDcw5xFwE9uKADS03Bc3NsHwNjUDAzZEVC8hFpBwafpR/C4/eCsdbJKweMRf/s05pBM2E8HwRx/B/iSPvAsLJOIwvniQ9KR0cB8xgNCw5cra/UfxED8Tk2GwFKZ99myX/CMCoGBwsY3J/KTefDMZSlGw result_proc0003_0004 > L4pLsAHp1LDMbNLHw5e82Af4wKDsan7EwBu42AXbNXD8zLF+vmrT8ADkWDD8wfD3vr5W+ADnsoD85oBIw4K4EB7zpqD8gA7FwFbYIBnCYEE8SUhIwFljGBLvzMEMchfKwFC5MBTZcHE8xjeHwKv7qA/JJbDMFtVJwEnA6AnUMqCcwKQFwWMu+A/0geD8N+GKwOtG7AD1hEEc+O/HwUqxEBv6A1D8auwBwThmGB7YqKDMAuCGw result_proc0003_0004 > L2UuwAzqM4D8C5b7vHM+vAnAuDEsYi/Vv1QDtAHTNjDMRRW2PvtFxA3s/gDsrcEAQVdwnAroxVEcRaYVPQYRnAfcdgEc32W7P2kCfAPfOzE8esW7PcvWeAjAL+EsEHHDQArsPAD37QFcYIIDQL0csAvPjDEMdKmAwHRx3Afi5JEMMMsnP6jkpAbqFiEsqj+yvcHofA3ijPE8byKjvgDskAHC1UE81cqAQMFNvAPBNmEsUCj9Pes+hA//1+EcOepyPOXCPAnkjtEMqNX5PPI/YA7vzyEMrMIGQA5LnAjljDFMPIMEQj9sPADFvXFspvyGQvKtUAb6ubFsCDZAQgeuAAbMGMFMrRNCQ result_proc0003_0004 > L4qAmAfL2GD8uZMuP/7ihA/PulC8qYc6P9k6pAzcEEC8poN9PMGvoADy0YBMQ9fCQQwwPAL85QCsrvJyP6J05/Sr6uC8RqOtPAD+j/CzODD8sVq/PcBu9/qkU2DM0YNAQbQsjAnTRIDc2eXwvcj6dAPDj0CcPw8AQdBeUAvvFECssGtqvUqMKATETsBcoL85Pk/+BAni9JD8C2kkv/qig/WrBeCMeFdfv8qbz/qNbDEMFA1DQfuKQATP5xDsYxTAQDXG1/KTsEEcP3b5P result_proc0003_0004 > LU3XyAHMFCCsSml1PVPt6Az+6DBcQzP4PvT2BB/yllB8jLU/PQ9qFBT6u3A8fV2AQQuU/ALUnoAMhcNqvcvy1Az6Xo/Lr2P7v28CzAzpXXCcvkBcPvZL3AjfCMAs5AG8PKpNBBHplgB8DFe1vfCADBvt65/b5xJiv result_proc0003_0004 > LQfXBBj++aC81wUBQUabFBLELvC8xdqEQEUWDBzA82CsZ2JJQl5SGBDIbyCs1yGLQHASHBrYVZD8j0KCQosQKB35VUDc0Py5PtqDMBXle/DsFo3yPIXcPBfZS6DsKbMxvRw8QBXfJSE8lzU5voON8A/J/rCshCQAQkj2IBzDrZCcqo8EQ4B1DBDi4tDMRedBQtb6JBDp/pD8LC9EQ19wNBD8GAD8dn+6PvBqHBz/BFDMXAwvPerjIB/RcJEM7uHuPWsZOBvoEIEM1ef7PL7ETB74toD8c2mqv7CONBH3+nDs8fi6vq2LTBnGvPEcwq8/v6tmNBDtUaE86ST7vJJFTBHhqaEM+Jxvv result_proc0003_0004 > L4qg8A/8oCDsezWJQTNg3AnNhKDMnY8LQGU6zADV3gCsmwPNQp1RxAb05BCce63LQIC8tAr2qoDMfVoLQcV2wAPo3KEcZ+uKQDERnA3TPZE8/cdKQHy8dAjfkREMqLrJQxWPoAfk6rEcdZCLQM1H4AXxKGDMBWWHQRmX9AHvnZDcuNQNQpjXoAbabbDc57KKQeItpA7gJrDs76hNQdIV2A7x1REc8/LMQGB/0Anf9JE8Wf0IQ result_proc0003_0004 > LSe0zAz+SgCc0z5PQ8vNvAz5Z5B8SrsQQg4fjADQ8ECMwzBRQovLZAr0cUBMegwQQMfB3AbeK5CM4RdQQXj7vADj0+AcERHQQSJuzA3gxvBcamnRQ result_proc0003_0004 > LlmThATHFqCcAUnRQy5sMA3YF3CMCA6RQ4eNJALcNmD8oXlRQdoQWAv0tAE81I8RQNMCHAPgnuCs/ZYTQvKrJALuACCcfCrTQXAEg/Gno7CMxnqTQ8tYnAn7z9CsaS3RQwi5BAzyXkC8M/RRQnDuRAbC9AD8bjBUQJx9IAnWwjBcwz2SQSBQR/22b1CMNotUQVkEY/SzndDslNdTQGoFq+C5LpCMLGCTQ result_proc0003_0004 > L5MDv/i0pvD8JI6QQ0tGk/OH0NEcf7jQQqzDu+0ZDQEMtIRQQRklh/EHOAEMsZBQQOJ69/uBCVEsU+tOQoSUy/S/gJEMnPbMQI2dW/mJwXD87KoQQdk5r/mYFYEMJMaRQOas4/+sDmEsoXYOQd17PADHySEMQpHPQaO9EAT92KE81QNLQ result_proc0003_0004 > LfuXW/E5zjEct3SQQjBpDAZ/YoE8EB1PQi3bIAhOTgE83IBNQ0EJZAllnWEsODiMQtGCIAJZcAFcQY/PQDboeAVq5GFcrVMPQUpQhAhhjeFsiOcPQhRJVAR9XpFs4SRQQricpANR0lFsK6hOQOgOg+wI+vEMBjlQQ60ROApQKgEs+9mQQIFSFAZq/FF8O6ARQBbz5/Mi9IFsBWsOQcetgAF1GCFstGINQq+/kAFfW+Ec2bOQQ result_proc0003_0004 > LoZXz/04UkEco/KLQbb14/oGrdEcpdZIQotR8/EYbFE8KMLIQ6RSLAdVO6D8zFVFQkeEH/gVqlEsLdXFQD5HK/gBs9EMV4XEQfY41/clIHFMnSWFQS9Zq+aHXGFsXipCQPI6Q/EtMsEM+CtLQS7MLARvpkEcifRHQLciq+C7xhEcuGVHQpnsH/01cdE8QLhBQ result_proc0003_0004 > LE+jh/EwT0Ds3/rJQrihi/8tqFDsJuuJQDHqGANIK1CMluwKQVUOPABKrVCcLXvJQORBe9ipW0CshrbLQpZIw+kM8BE8Wm1KQ2LJd/EIR6Cs3mXHQDKiy8iffRCsNdcLQi3ag/6J5+C84hmKQSlhH9cmPAD8HEeNQ result_proc0003_0004 > LQPOPARFmKDcApyMQZZ0hAFoG+CcY39NQrSBrAVq6FDcW6BMQSu8xA90gqCMCCrLQ/rxjAJPpWDckOSQQEqZuApBnMD8nY9QQwRDvA9DWfCsIjdRQuf0mA54CMCMnrpRQcvy3ABsCQCcbAqRQz3YHAxENkDsOhiNQM4ihAhH+bCcTkaOQwpzaAFZePDcap/QQ1aijAxt74DczjFQQsqgvAFLYiDc6IzRQll20A5gNSD8r5PQQ result_proc0003_0004 > LL4CrAN6drDsDJyKQYoXzAN632Dspo3IQ52hzAV28XDM83BFQkTD8ABR4KDMhjLDQ0DtxAl0GSE8PprHQGAe0AxNrjEMk90JQojxyAt3S5EsezqIQq2Q1AhnJKFsXwkKQCnJ/Al67RFcgrBLQ70rDBBZPKFMrpsJQ7uSABx3ThFMOizMQTSJlARBVAEsnALLQV8F7ABBV1DMEO4JQFuXpARoOUEshwhGQWzk2AlrnUE8qsHEQaJ28A5zQiEMCIaKQNzavAt8HiEM1HmLQYCcqARkB7EM0eEIQnf63ABIV7EMnw2FQwHJvANVeQFs3ooLQBuIDBxPf+EspnVIQU7YHBx0EQFM9UCKQ58Q6AFnOnF8260NQxs/DBFGJnFMuMJNQ result_proc0003_0004 > LDmDqABlWMDsklGDQuTEpAR49sCMTeo9Pc2GuAFAbCCsPSZAQkbJ0Axf4eBMbIo6PoVoaAZSumC8zFr6PwdvWAZ9lFCs1xrnP34Z1/0BG8B8ATRevLDej/gZ0MB8aFX7PXiXjANvnZDsPepEQLQWtA9G54CsnvS1P+N8TARgAFDsZI63PqfqRAlt5cCM023AQrtedAxX9NBMle1wPJLueA5lmPC8QLwyvd1lI906q/A8g716PlMhp/cux4BcsB/AQRUt0/AqJRAskrv8P result_proc0003_0004 > LSslrAhPLnBc9sNFQUTDwAtRaXAMUjQHQASM8ApHbcAcqtrHQh36AB1Yw/+L6RSGQM8LrARr2BAs5iVKQf2cmAV2XECc9ThHQf3FuANdFJ/baKcEQYSmuAF8RM+7YtELQIOjiAVZl1/bBUIKQv06sAd/G1A8XzvLQ result_proc0003_0004 > LTPFABtN9kBsv1zIQpO0FBl1MxBMPeLJQUPvIBdWGyBMzxAFQGXeNBhdFdBcfqtEQFz6GBlVPiCMdDqKQUVdFBR60hCM/9mNQNxqGBhHbLDc/a6OQb4DFBtf0LDsGp2QQ1oaGBhpdqDMXSvRQ+ZZJB1xcFEcB4WRQS9vEBte6nD8OZ/SQB6G7A5EbKCMkZTJQr4WHB5KR8AsO5XKQuasEB9yJ8CMU5tJQAGKLBJyCqCsxYgKQpyuHBRP5ICM7EoOQ9OMBBlPebCsR+0NQTLiEBtu9kD8ke4NQOF9KBV1gRDsHR0OQ22wCBZ+XzCcB0LRQA9qKBFJbGEMApZQQDbaKBFp7QEM3UBSQwQdCBFK+ODcoKSTQB8wFBNY3+Dci0pTQ result_proc0003_0004 > LCw4FBt0RFCMy6yAQzjPIB9dPICcTR51PtALHBdFu/AsVt8WPlcmHBlw8/AMK/V5vuPKGBddavCMKx0gPgtKIBpojYDMR2vzPOzxMBpwVbDsBhY5P61yEBZik4Dc+NJ0PtH/BBNqtMCs3iSBQ7jkMBp2MLCs37l3PyEzBB5pfvC8V1biPX2XHBR3/tCcjEi2vnT6FBxeXKEMS4J5PxkGBB5v40DcL4ksP result_proc0003_0004 > LrsxFB12W1/LlMB0PrvwEBBvHj87mO0cPW3GGBZK3G8Dr7L4P+pEIB95Jo6zgaiAQ/O09AJliI8rsHkqvrGR7AhW/A9T53e8vhMaFB5dF+/bIZC+PmtRHBhn9R8bzrm0vovN7Ad1S++7sU9zv0614AdYKo6r4KqwP result_proc0003_0004 > LoYCFBZz8e/zjJ6wPKY+FB9CD8A0Ke26PiZeBBBlNKBEU/bBQymJ6AdZWoAUcHzAQKAiGBpQSFCUuieuPvMPLBNlYDCEytLwvV4jQB52gECEoC+jPbjVRBJwCgCEOHG4Pcy2TBF7mTBELjadvqSiDBBrZr/jYqBsvhNsJBdxnzAkC+S/PZS5CBNNOJCkaevgvJk/GBph3hC06Ci4PTA+KBVz/LBkrPw4vdX+KBZaSeCEZum5v result_proc0003_0004 > LNomCBxDd8BUTvkFQYdB9AhIILC0y6sIQGSO5ANCZKBU3NXKQlgN6ARLZLB0O/vMQFfP1AlAoNAE3LSJQeQnzAJcHfCUARgGQrW02At0NDDUu2lDQ9NZGBJ9pICURCFGQM9OABFD1iC0WXDKQ+iEwAldqHCU3uzDQbHgtA9ALoCEqqsIQGS1yAZvcCDUI0TAQ result_proc0003_0004 208,209c208,209 < SCORE: 8.921 -210.652 26.506 176.239 0.661 10.693 -3.611 -70.540 9.411 -24.454 -1.392 -4.572 -9.165 -0.543 40.080 75.451 -6.419 0.000 -6.803 8.031 7.878 result_proc0003_0005 < ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]PC[CYS:disulfide]EDLKERLKKLGMSEEC[CYS:disulfide]RQRLEKMC[CYS:disulfide]KEGTSEDAERMARNC[CYS:disulfide]ES[SER:CtermProteinFull] result_proc0003_0005 --- > SCORE: -12.430 -180.668 20.475 160.045 0.405 10.879 -6.727 -54.539 0.083 -17.370 -2.716 -4.019 -7.957 -1.762 1.810 67.135 -3.192 0.000 -6.803 12.493 9.516 result_proc0003_0001 > ANNOTATED_SEQUENCE: A[ALA:NtermProteinFull]PC[CYS:disulfide]EDLKERLKKLGMSEEC[CYS:disulfide]RQRLEKMC[CYS:disulfide]KEGTSEDAERMARNC[CYS:disulfide]ES[SER:CtermProteinFull] result_proc0003_0001 212,255c212,255 < LpYSBBJQCEDkscwFQ1owDBFdz5Ck+doAQv3PBBNvESCkKeT8P7SCDB9NacBE6AQ+PKlwJBxqlzCkJyTBQFjADBlsLeDklpSHQz1w6AJidJDERQOFQbfxBBNRfrCUz2IIQPPEDBtkjUDkg817PtEjLB9C+rC07a56PWOiLBBI6QD0Uf3CQpzfKBFcdZCkbBGEQ result_proc0003_0005 < Lj4L6AhcrYCkGXxzP6tNvAB7ySC059j5P3EpuA5h7jBk/oRBQIQI0Ah4iiA0mxIBQ1vbpAN8HDCkaGKYvdMywA1quEBUzINyvhcD7Ap0EQB0fQOgPan15A5PLTCkDgVzPIp/rAF8wxCU02O8PdyjhA1p4rBkZFClP65/nAlUHeCEjm8zvFXWtABoXEAEbaSwv7XyxA9kTPBUlqv9vsDp7AB8feA0Rwf2Pe+7ABBgDMBEFTBxv result_proc0003_0005 < Lk79nA9nu1BU2nQFQHzpmAJ5J8AEcq5IQfxFWARyEgAU70MJQqLWHAdL0PBU2ZiIQVrUqAV5ZnBkvFfLQDZ13AdAVICUUDXLQedsjAdyRWCEk3IFQk5krAN4kDAU2QkIQNR+kA1kNOCEnI9LQud2pAhY35AkteINQ result_proc0003_0005 < LIO8SAN0qk+To+MKQ2OC7/I/FH9TW0vKQmTYi/4U5b/jVUlMQKb1C+qNxx/jWwSMQ8ee9/cpjd8L4RAMQps5E/IiKo+Ll+SMQK2aL/EiyoA8KTtNQb/m4/0eUBBch/ZOQZdAr+u+BRBsFpFOQl6tfAhEUz8zvQmKQzhtp/g0s08T0/2IQJyCJA5Mag+LEwyKQ+76FA9bJL8r3F/NQJQIy9eJzq8L5vaNQqqNG+8Oy7+7qQUKQ result_proc0003_0005 < LlaD5/EZ3UAkOUeOQAh5k/g3mLBU7EPQQuLH5+MvlLCULlKPQNTUA/6ENdCUvyIQQupEDA5kPsBU7LPRQCNTLAdsVmA0nlKSQ3evBAdqVG/TgDNSQp5DbAFLy0Akm60SQPdiMA9nTMA040hOQEkV0+caBmAUhjxQQOMnQAp1xDCUwssQQLzJ4/8XjPC0h61RQ result_proc0003_0005 < L4Iqa/4R6XCUYWzMQyKP0+o+49CkqqcLQvIN9++A2xCUjlFJQtcSX/2EONDU0N/GQu+Ty/YP1ZDUUneKQXIJIAdZtqD0ysqMQ2NfaAl5rBE0xvYLQBYK3/0YfDE09UlOQDIp0/sJhGCUB/6LQ0MUQ+mBPQDUCX3MQPTxCAl5SHDkjHFJQ7MQl/klX1DkrxaJQcT/OAhA2PDkV6wNQqckiARhrHEkpS8MQOVshAJVOuD00nDKQPwGUA5CGPE0VvPKQo0OGAdpeJE05eEQQJofp/kK8QE0mRfNQfFBb/kZZ0DUXwfPQ result_proc0003_0005 < LK+ET/qBuIC0T53IQfpRv/CC2vBkXGCFQRf+MAXNWOCEahIEQ4eHUAjuVTCUSGL/PZvI2/i6SPAE/FkFQZgzBAzCFG/jA4ZAQYYqe/aEJE/TbYs4Pbqer/iJH+8zSLEivu3LV+mnqU8zhTs4vhAJE/yeJpB0beYKQ6FdW/uq17BkBsiBQ/AUR/+xfi/DLq8GQtcWHArs4CAEa+RIQoPiGArOOF8DwfRBQHPePAzrbEAUdcX9P1iFP/WrjjA0Wbw0Pu0iw9K2TK+jJdS8PFk72/KEw55rpOjgPnmnCAbozg+TJJ7yvgFBA/mCPa1TTPL/vNu899g5z++zWkB7vaBdC/M0H12jYU3xv result_proc0003_0005 < L7UGXAzQ0bC0gxPIQI36lAHhCxC0aOGIQdstlAvMzVDk/cMEQJ/stAnlzeDU/1iBQnZOpAX4rBDEAs2KQn/W0AH8VVD0Z98KQTPo3AjtjiDkAcuNQWjSxATE+dD0MohPQXVPAB/7QxD0u2COQY8PQAbFPXCEEbDKQtX2rAf7zZC06b2GQer+oA3GjnC0QBTMQmMijArH5ZDk6IhLQ2ii0AvbWxD036pJQqtG6AzkO+CU/nLKQ result_proc0003_0005 < LLCEZAzB9qDUJqxDQZGuWAviyHEECgNAQ7CJKAXF1BE0In10P6AOPA/JBJEkQNkpvV1gLArdJaEkS+DDQSx9WArrZiE0GfAIQw1HmADHjrEUU1rGQaV5rAzgTyEEBMuJQaT91A7DC6EUoRuJQdaP7ADV47E0jD7GQFGh6ArSw/E0W4/LQZiZMA3lahDUV/+FQQwTjAnjHNE0/lA+P+BH3/CxGVEESlREQwtpJAr4jnEElGUAQAsSZA/fSVEk0naJQIgWNATJ4uEEMl8IQcGGlATbb5EUHTGEQM/6qAXLjfE0NMoEQjzFoAjsHxEUaCgLQYXw3ATYg3EU8ccDQhAZBBD9qBFE+L7GQMGd2ALWV+E0BMvNQotBBBPtiFF0j8/LQ result_proc0003_0005 < L3Caz/K/SpDUGnq3PeVHP/WF6cDk2u9fvp10v/W50CDkgKU5vte5j/e/5BD0qVWBwIkW6+IA+CDEW7xsPbmAu/4jcbD0kkX6Pa3sHAJPn8CUGkw+P38dBAlsL/D0x+3vPpsjt/qUidD09yN/Pt1Uu+m/15DEC5pxvtjKn9QU5nC0Tbh3PC2gg/omp2CEkBfuvUUnZ/wOHpDU1nkAQYQ3SANYAODEAc7BQ34m//I4vjCEyvtBQlzZQAZ0AuCEdgJ4PJGoMABKTIEE5cE5Px4FKAh8ixDUggNrvyTZq/glhKEkEzYgP result_proc0003_0005 < LzI+IAfuptCku5ozvpZyWA3gxVCkbAF9v3WXbAPwOvC0x4mDwBbRcAj+WdCEoW/HwXa4lAzF1JCELfD3vzCMuALmFrB0az2+vbpI4ArL0QB00Mq4vG729ADxIPCkpgAwvDI6BB7wcnCEm9U8vXNdMAP/GuC05xRoPPZkOArJ3wBUh5Z/veIQkAjE0mBkxkXgv14bpAbiXmC0st8vvwfdwAj2UMC0bBiCw+jxqAX4tyA0s9VBwllm9APJzuA07899vQK41A/gBmAE7Unov3FvBBHxsECU6RgoPqBC4AnbZkCUT2HRvgnvDBj/0ADUmL74vFIq+ALT0xCkBl/AwHPrEBDTPUCEztu/v result_proc0003_0005 < L+YPeAf4DZDk67+Cw1CaiAb3Z0D0QfaHwBAKYALwRqDEZ3OKwFKegA3B7pD0c4bMw1DEhAz1yREUTv7FwR6QkATcYhEUYrKJwuTAjA3Ce4EkSXQIwHxulAXAEIFkubfKwRhnkAnVueFkjxnJwr1zbAnbQmDkRRs+v1U1qAjeXuDE3KIIwqE4lADIZVE0WLaCw3gdRAP/5UE0HF6EwKMheAnKveEElD7Kwa5ksAffneEU8VuJwu5RoA7he7E0ehHFwTPjVAvcN7E0NlPHwERcgADRSFFUc8LMwHG8tA3XZFFk9YJLwstfmArJioFkfDKLwEvmpATSkhFkjjEIwVv/ZAnjehFUU3CJw result_proc0003_0005 < LuFeDAjZDiDEVh5JwFcjq/66kaD0+kKMwfgUR/yZPtCES4HMww79H/qv5YCUUhNOwXGSN+qr86DUWCJMwS9hF/mHGVEUM6SMwpe5J/YcIjE0c/GMwTezq/mnHZEE7K5Ow/916/a78gD0AuBIwL+08/ekveDEGKAOwIMsy+Mkj2DkT1TKwpH/8+05T0D0Dg1NwICZn/uf/YEUyvmKw9ziu+4u6zEE5+NMwVELl/4zJgEEryNKw7aeq/43ZfEkZiwNwEGJ0/6F6pEEEJAPwRbYM/67PVEENtSQwUiqDAX7FPEkDR9Ow result_proc0003_0005 < Lbhx6+a3jdCU85uJwxKPm+Yv9rBEjEcJwlO+H/iOdeAkAsXJwy9vL/OMzg/z7IwGwzvUQ/i+dtC0z7EIwweCg/4PxlBUR/FLwcutY/8jiuBkEZNHw result_proc0003_0005 < L9PBr/+5XQAkt1jLwGbDEATLcP+TsJxLwq9rGAL5dt8zagqOwP0KDAjbk6+D1jQQwLcwZAvcm8+DMdjKwyYSjAHghfAk/lJMwoVovAHPF9AkSmhKwXVm0Ab8Zs+j6cjJwUwTo/WAD5AE0uHNwh4e6/CwyR6DIJqKwJMthArNSS8z53XKw6ZdXA3E0v/jN4iIw7hBdAX7HZBEN+bMwl4LlALFNFAE6JHOwMKO8AnBn7+jnVhIw96u1Arga68TXAVLwed3uALisd9TfGOIw result_proc0003_0005 < LUW5MALvPU87loCPwSd3RAvsBM+LsU2Qww82jALhpc87fiURwGvkqAb+YW5rc/gQwmvRRATlBnAcP81QwxBDhALRnIB8cEFQwMONOA/ixY+7ZkcNwxQ0FAjKA68b5BjRwQbZSAzZr+AsQZ3RwcoCCAT7t8AsS+bQwcsXdAfC4/BMq6jPw result_proc0003_0005 < LU4llALIvn87AZoSwYC8vA/n8b6L6KNTwyJh4AnFcn+LOVzSwcgxABTTfu9rHHfSwszKvAf50t5LszuUwdUb5ATwWX5T+/aVw89V8Af6jR/DJrHVw4Od1AbGBYAE6FtUwyGvCB3fr+/DxgTVwwLLfAv1Nw97nqPTwn0RyAjJ6s8j580Sw4k2oAf5zt7Tu3AVwn3/sAnUFb+b3CIVw7kc4ArfkK3Tg7fWwnx7/A/OTi7b32GVw result_proc0003_0005 < L9Sp1ALkllA84H0SwWi/8APNRpBMzNaSwnkgABzsGbB85S/QwyzRFB/3wjB84ttQw5xi3ATJXgC8K0gSwWkr+Az/AGD8JMJSw7kJ5AzcewDcFkSSw4W7vALv1wDcmkpSwD5J+AXJTIEcPsCSwTdLuADwV1AMdKHTwV67BBvcboBsFIFTwZKu0AHBUlCsWFiTwwrkwAHZFhCsp62Rw5MpABnGWCDc/CHRwST4CBbehFDsV0xSw result_proc0003_0005 < LDQs5AX2RFB8lrFQws5k8A3rlwAMgVbNwtMLCB3YLL/LhdUNwAsaGBHLfW/7PQFMwprmyATO0aAsxuyLwzUJ1A/0ALAMSARIwDF7xAjf9CBc1TXQwOcNABHAWoBM6TiMwl6vsAPWHOBsBy/Lw7+9uArhKB/7d1kMw result_proc0003_0005 < L+8sABfpt67bO6nOwWD+DBH3z38DwimOw4nsJB/4LW7jc3cPwOmgNBPZqk9DtyNOwL+mBBHYxi/jogOQwhcYEBfI8HBUvjLQw80FCBzMNCC06FLRwXe+4ArbTLCEX/5Qwhdd1Aj+fpCU3PDQwwsW8APkLBDkyyxOwPJFrALDUvCkBQwPwKdd6A/N477rs/pPwT/BEBXG5O+jVokMwlZ16Av+A3/DW88PwbQxBBLVK1+DDZQRwT5nIBzS0/Ak2mZQwX36DBvawjBUI8XOwMSZCBjb2oBUi9KSwmxSEBLJRgCUHBJRwumbzADPdzBEVZZRwRQJCBrJv8CEFzCPweEu5An2zXDEnvfNw91xlAXmGdCETsYQwCncoAXh7FDkzPeOw result_proc0003_0005 < LuvRKBron+6LHJyQw3KhPBj2al87UIXRwd8vSBTs6K/LBZeQwb0jXBf0Bz+LHjSQw1j7OBzRnf+rExwSwi9xMBHVjO6LITzTw5eUMBXo5o9rzQLVwV4DOB3k1CAMyEZVwy89JBXxy14LbXHWwuMAHBj0YL9bHrMRwR+sRB32VW6DuOcRwygPMBXvqGA8ULuSwpqzSBfjsN/761GTwa4ePBzT+S8Tb13TwKN0IBj+Sh1zwofTwtKjJB/rnK8rmqCXwuQnIBDs588zza5Vw result_proc0003_0005 < Lc7EQBLQHmAMy12PwRi0SB/jusBMJJiOwvNiRBXf+uBMPnjLwHvIVBzDswBcmO4JwayQRBL03gCsL+yPwHNHUBT1uHDcQhpOwD6LSBrnHwDsyk4PwAufUB/XzKEMFwmOw377SBXYGfEs+fEPwEfEPBbWAjEc9FZQwk0SVBDWFvEMRazNwhnCMBbaWmAcif8PwzsHXBLJzjBsTaxOwTPGSBj35fC8P39Qwqb+MBrG+lCM9pjPwuOZTBbbcJDs4CgMw6eZYBf8/EDsmNBPw2MSTBHRqwD8pw/QwHf2NB/0CyDsHnsPwz3eXBP9bIEc/gRNwaJRNB3YyWEcfF4QwKt5NBf2NyEsXPkQwrGRYB7HFsE8GEfMwXFIUB/SS+EMSsJOw result_proc0003_0005 < LzMYMB7h9uBc0a6KwxyiKBPxIECs9pQIw1Z9HBr1Z9As6KmFwsbQEBvsMJBcq2bCwS2iGBjtMpCMeieIwfbrIBrkKSDcXcyJw0jGEBPItxD8dfLKwwmDNBDQUlDMe8CIwiLqJBH18cB8a/SMwmN/NBrBzOCMTPNGwWCHDBHideCcdsoJwGLLFBvSexC8Im8EwixTKBv9kKDM1RwLw2mnFBLDaHEsxIHLwtOEBBPtajDsAudLwlGWCBTdg5DsFxPIwe1kOB/jNBE85o+IwwbbLBbQ9sDsISKEwbmTQBzfUODMlHqHw result_proc0003_0005 < LYu7JBHtrg/7Q5qGwJZvHBPWqM8767OEwO/EHBr4C48bcdb8vMsCDBHfyd6rx3r3vQHWLBTECn8jRkZFwGbPJBHGE9/TryQDwHQ0MB324IBUFMmEwyz9QBPA16AE2H6GwhWZLBzl7HCU7WTDw/ECNBvZLW/7XtnIw0fzDBP3v467KL9FwfB4LBHNVB9zZq2IwYKSPBPJc37TO6pDwTp2IBr3I0/j7A39v7vRFB7z/JAUcA7Ew result_proc0003_0005 < LCGELBzfxp+bRis2vn64KBj2LJ/LleSwPhX4FBfpOWAsDVg2PpiTDBrgvCActPS/POw4PBnFFVAM2jh3POCQQBf0TjAsUY5BQBliVBngsMB8vsbDQ9xOWBbRJQBcyOvIQkRcSBf3qGCMTeAKQUGTOBLuGQ/bzhj7vOPxKB/YVc87cpQ4PWocTBDkIk/7hWiyPpNAQBL9iTBcNOivPjs+MB/7nMBsS/LDQb44PBzjRM/LnP9DQ6W1YBjRKoAcZPtBQDNsVB7H0GC8RM2BQBIkVBbtvQAccDlJQOjTaBverjBsp1NJQ9zBTBTb4GCcLaAMQ40ETBboVkCcAMRJQRZpOBjtM7BcZDnJQ result_proc0003_0005 < LHNhEBjPeWB8mkfdPOxr/A//xFCsf83rPKEl1AHQeVBcoBLvPJLSvA3dUfB8kAR7P/qc+ATWqnCM6Kgzv1+g0ALjfDDcFiSxvMz2xATvxiDMaRPAwV0xuAD/d5CMON9EwJCyGB/Y2iBMlnVzvJHaABLLzVCsyTo6PN3sCBn5p8C8Nbbzv9xI+A7fIYCc01j9vWsltADVTvC8bhPsvx1g1Ab/RZDcj0WoPtw8sAnTyHDMJdaIwBZo1AjVGkCsZIXFwmA4nA7iTnCsIljDw result_proc0003_0005 < LZiE0ArdTcAc+DuvvU+uqAT7xI/rKnJwvRF6qAXnkY87JpmyP70piAPWrn6bVcO6PZZPqATFzH9bG0i+vOj2mATyBk/LRiDFwgIi5ALKdXA8Ql25vXmkjAD54LA8Ay2tvkm9xALgWe6LOQBAwpTUkA/Geqxjxe19v result_proc0003_0005 < LiIX0APwGQ2LvRe3PwLi1AHUPt9D7SFAQZnexATR2K7jLBbFQUyZsAH0fP+jTnPIQpInABrELu+zG4lAQkjkBBbBSeA0x9oEQh+ZHB7l75A0vwrEQsnYIBfCLACUGuYIQXVFOB345NCEi/bIQS456AfAD967fgkuPsluwA//Km/jNSE+PgCECB7vUa/D51b5PtLDDB7qYB8TrswBQXUeABrS9HAUcAUIQZWK+AnfPVBUfNpDQdXhIBXpVRB0TiuAQre7JBnpNDA0M+pFQXqRHBLhipB0ZkXKQrf5FBvZybCUHZ0HQ9GkOBvaPlCkGJ0JQVsIPB7lHZCEr4OFQmHbQBXbZpBUil6IQ result_proc0003_0005 < LQyvzAf/df97K1gGQqvAxArf58+77m0JQR4TlA/wJz/bxW5JQu7NhAXkuTAsdy+LQVnM4A7EurA8iOYKQL88BBHmkVAMJY2KQjcUFBvLoiBs+NfLQYmLDBva8TCc68jLQcZCKBvtNYBscu5LQrhd3Aznn3+L9ytDQm4RyAfMB88b08YLQLjz3AHt+XBMtisIQWCS1AzXmNB8P7IMQ2GOCBHy1Q/bRVgMQUAiDBbbrs/bDdEJQ result_proc0003_0005 < Lj36fAv6Ym/rr6NHQkQwJAj9RPAc5qvGQeCcIAvoCrBcoqtEQNWLWAno/PCsP/7FQamqjAvNf0+Lh9+DQD5MBALkzJ/buZBEQHQ7BAvkgKAMCHUJQ result_proc0003_0005 < L61pv/Kmf9BMCpmBQH75o/WqrpCMa29+PAJlr9QJH7CMF2GBQtsma/c96jC8KJTDQl4+s/WpMqCsOowqP/P/u+GjhQCMENZnvdpJMAjOwYCMvp0bvdzDV/KM1OBcY2rAQO+pAAbiy+C8XDJBQmWnp/KC6KDMzGvNvyEuk+enhsBM5WDoP6qTNA/0XZC8v9b5vzZ0YAzZbsC8BuuqP7W3NA7M5vBcFxToP result_proc0003_0005 < LCGqn+0hGkDcxKBAQUOry/47f4Dcw4QBQaI7LA91jgDcjbZ9PZIKdARV9cDcCiCBQOFby/0OTTEMSxv+PslnI/A9ZfEsz3NCQTg11+ORl1DsrOk8PzyH3/IVC4DMT3lFQGd/q/4b0TE8m1d0PSzEJA11MaEcoKz/P3IOh/EcKtEs44xCQ result_proc0003_0005 < L3mUIAR6OQDsi3/uPBbtYA91R4CMsk/nvLGQgA1XMSCceIExPdcppABCiGCMP4KwPTyFQAhB5oCcVwy8v+h4fA5IeOCsZfpBwOr4WAFAAACcRH7Gw6zrHAtp7SCMRmXIwcfOfA9o7DB8WlkIwu4tz/cshUD8NG5RP9xJjAFKZNDcm1stv9NaLA9laEDMVnzAwPt0BAlHfVCM9Hh7v4gPiAxlzkBcSeq+vxvGnApBfhCszuWCw result_proc0003_0005 < Lr+8RAN5z9BcPWm6P4YoWAd8VuAs06HAQWQDiAZc3+A8uGGFQi4epAFL2OAcVrSGQJe4BAFZzAA8IrsBQ3ESp/QsUK/LlWx5PizL4/km9B9LzDBvPXPTT+0v+EA8Q3h4PrdRDA5/GMCMPRU7PKasfA9GpEAMJ266PkMaw/UIMrAcyVLEQUdpFAVItQ+L+UFEQ result_proc0003_0005 < LQP0eAliiBC8ow+HQh3vlAhQGPCc6VSKQTDFxAtdGbCMtBdJQIMz4AB+PRCcSj2KQkGYgA1Gi0CMRhsLQJQrRAtvgSCsv19GQYCSmA5MioBcRGrLQPJNlApfS+Cc38ZNQs36QAJj4qCM2fYMQpWOfA97PPDsl5TKQ result_proc0003_0005 < LgiByABlbwCsgXVGQFfa8A9AC+CMUOTEQ/VrBBREtXCMy11CQhbfGBZJbXCcvG4DQloA7Ap3AbDMaT1+PyqsCBVmctDMUFd6PmUTFBliTGEM3w/AQ4piCBhrLPE8e9REQ5xDKBFgVJEs2ylAQF6XrAtzZ3Cc/hNEQC5PAB9KDQD8icbHQsxx1ARNs1Ds2QcAQq5J3Ah9GJDM/wa4PLX3BB5fr9DsuyrrPcWdFB9nSTDMgf04P result_proc0003_0005 < LJSa+AFYwuBMSmbAQNyBCBlLdgAsT299PW6MEBRqQm/7M56DQpguIBJpHo+btN7DQxOs8AtkBI/rdsy3PMbl6AlAu5/btjsuvIWGzA1FsA+L5f94vm4wwA1OFz+7RN9BwTe92AZKbN+rSLNGwaU0/ABhqU7LFDjFwIpI0AhoNB/rLKhJwwfi2AlG/zBMYSK/PjVYFBFnPxA8u5y4P6h/0AVq/A/73387PbjDAB9MWP8rOdy3PFDDBB5gV5/Lj8G4veoE3AFtt8Ac2K0vvuDmrAN5u59LSRExvCmo2AFoThwLHBH5vG2AqA1EM3/bYznCwhR/AB9VQZ37Nv2Bw+wOCBhzjH57vbXIwKwUtA9miCA81WxJw+rx4A1fAl+btAHLw result_proc0003_0005 < L648ABVhHf/LN0DIQ3DjCBZUVM+rNFjKQKqnHBBZoc/bYYrLQRp/KBt+TE+7Xo0MQU+B8AJaFW+LQ0lMQEnjyAhbMI6751+LQNjjoAVgCX67MQlOQ2uOvAheEf8zuUlQQz1j6ARINKAMq02HQr+ZDB99EG17gaIKQmDF5A9zgMAcPPtMQM1E/AFivn9b0GkOQG9V1A14WC9TBavLQEe0uApDNU872VHKQ9/CqA1Pjw8zeRdRQS3n2AhmUf3jgr2QQYKGxAxb+P/TEbOQQ result_proc0003_0005 < LvlIIB5BTCBcnXWLQPumMBtwixB8gEgMQEQ8RBRKmLBslboLQMVAWBFWqWB8gn+MQOuSMBRkxnCszJuLQp0WFBp0OiB8OkRKQHZWMBhEXsBca+qOQEEqPBRE/4CMIJmMQUtjIBBSY1C8kUdMQ/BcMBxBrqCsOWjJQ result_proc0003_0005 < Lt45RBJXzeAc33XJQ/VzWBVgs3/LviOIQaNtWB5H+S771ZOIQp93aBRpdw5zn7bIQgclXBdJ/bA8T0wCQV5pYBJ3d7BcK8RCQRo5YB1snLC86ON5PurLaBJr14C8c8O4PYlmWBtT2YD8e2K5PaNjRBpQHQD8AQG7Pl8KYBZ+gAEM4jJ4PeJZOBFNtUAMEObIQPVLaBBVKRAslAcJQdRCUBxknNAcixZAQKO8aBV880/LWc7AQR2dcBVEXFC82BLEQoVdVB52dPCsBXQEQxjCVBp/FGC8VzzyPnR+bBhlxyBs8ZEyPeDCeB5o0ADch8f1PdfWQBheZxCMLK47PKh3OB9iGoDMUJz7PSnDcB963DEcvVV1PiWfVB1LgMEsjb24P result_proc0003_0005 < LvO7RBJZff4TQE+HQHTVRBRRkH/jFOgGQUW0PB9gCaA0arqJQvgIRB161lBU/NzJQaYONBxWtb/DHBFCQZF8OBlR3H+Tky45PCLtTBZb4D+zz6h2PNMJLBVNhJ8T12CwP5cnOB5nVM7r+ZUIQpbLVBt/c2/TfMDFQVwbJBFv3j+D8fWDQS3hMBJbrxAU9IVBQgKDMBFUU02TSdlrvqwVHBZe4V8TDN60P result_proc0003_0005 < L54CNB5Bkl/DJskLQ0NaKBpPXiA0mStNQxVgMBpekHAUVLOQQGRVNBdrH9AUhbGRQ68WEB5riUA0WEnNQsgTBBZ6xyAE1EeKQCXwMBVnQJ9jlwiLQFeOLBdATmBkRQbNQSvdDBNLei+T6N+NQtOdCBZsc5AE4lMPQ result_proc0003_0005 < LT5WNBNHgR9zRTZQQUIuOBtICI6jZ2sRQPjMUBhvk/8DxbKSQPCHVBJxby9jIzWTQuEoOB5xwh+bu7pRQ5PDJBJZLv/L1IkRQHDvFBZEpO/LZvySQP7kHBpPm0/bsn3TQHoWBB1zuP+rC5pSQvbDNBVZyJ5DKJNPQxPwLBh+5a8T8KbSQae6QBN4NO/7a2yQQp7iQBFWuU/76JjSQFCAHBRAI5+LK2sQQrhaJBdUV8AcfMaRQ result_proc0003_0005 < LQD1XB1edv9z7hNRQkgTdBle1p+DFnhRQ3JDgBFN90/DhiTQQft4gBRkbCBkZiVQQoBUgBRvOg+D1EoOQCjNgBxriH4zchCSQHt3iB9xA27T7CUSQ7QxWBdXkN9zruPQQ3TMdBVtxFAUAdTSQqCieBFkZ+5L3b8SQUaKgBVyIq8LOCTRQK02iBxcij9jVqLTQ result_proc0003_0005 --- > Lm3qXBVstrCUKRkCwcQ4XBdf+XD07AvAwmsmXBVaiaDU0+nyvU3pVBliI9CU0f57uOQXTB5i0xDUvqODwP02XBpt+qCk/6jGwlvwaBNzebCUdtCBwc2PUB13ReCkRtWBw+UsbB1zklD0Vc/BwHskTBZcZJEkDq0BwL4vTBJHPxDkPmkHwWKiPBZJ/jDURXFCw result_proc0003_0001 > LHfkZBxw39D0pbVevd7QZBJUvCEkNIm6PpbkTBJf4/DUMcs+PCQwPBJBnHEU9hy5PBfKbBJa8ZEE2Qr7P9/5eBZd7cE04dDqPhbVcBZk5QEkBaI1v6GnZBZWP+DEi3QgvlJAcBNCdvDkNFv+Pw7tXB5u3kEUGTY7PDvGdB9lTcEksfvBQ43ZfBFGEuEEvlScPxgchBdFsWE0ryHxPc9eZBFCbbEUM9t6vTdcfB9aPLE0AHH8v result_proc0003_0001 > LzTBTBlz0pDEf42DQlPxNBtG3fDk8XEGQbE3KB9jKEEEbk0HQh54MBVTcQEktAjJQvaSOBFAkBDkF8aJQXn9HBNvzxC0WC4KQ43UWB9vsfDkngzFQspZLBxsGQDUg4+CQQ/YQBFcokCUyfzIQg9qQBtGyQDEbn+KQ result_proc0003_0001 > LhIGGB1kjHEEF+nFQhT0CBhn7ZEE3AGHQSib9ABG+TEkxDrJQHwa5AJM/BEEYUuJQM58/Adj9iEE/hKCQuwsDBR0wsEkwNC8P4+yABdig0Ek8V9oPTT24A9/OtEkZ2sSPeH9CBpGuBFk1rYtvnZtEBJTR6Dk+Y3CQ+5aFBpCSmEkqwXIQY/Z7A5/RWEUmxNAQOAS6ABgQvE0UjZDQ3vzFB17M6E03Yp/P1SqGBxo3gEkiis5P result_proc0003_0001 > LV396ARxKjE0SQbLQycqyARVFgEUg+bNQtb5nAlqXoE0MIdMQcivfAZuEnEkT23NQsws1A9AXrEEMfBQQnOW/AthShEkWStQQA2+/AxVAOEUTOvQQ7n/CBRh+sEkRYMRQst8+AFIOxEEIRXLQaw4xAFm/OE0hJ1NQQZe3AN+H8E0Z6oPQd47uAxe6qEkShtQQ result_proc0003_0001 > LuwxnA514wEUYUBKQPAScAZYi6EE675IQfdkRAJGorEU9ZzFQMK5aARwImEkjEsBQML3gARm2PFUM2FHQfM3OAVHnbFEFQfEQcoo9/QKDiFkw8YIQ0iFXAFnGvFUrleBQuViuAhHrwEEEg6IQ8dFRAZ4k9EU9AiKQb7WkApRhaFEr2BJQz8zmAlE5MFEJd/DQXTwGABy5QFkRItBQG00i/IvZqFUig7GQol7x/s7xTFUDHaJQzXjGA5zksFEWR1JQnhrJARFd3F0S/P/PGVLfAdR15FU4iQEQhmJhA50AqFEs7x8P result_proc0003_0001 > LNt37/kfHlEUi4BHQY5ak/cnNWEkcgoDQl11l+onDiEkdPB/P/bjg+OPVYEkOAW3PNACg+cMnHE00eBHQ+kVg/YS5yDkh/dJQvSms98KiSDExzyKQB6Cg/aMnoDkIWaMQpM04/yOwJDE5TEOQ/35t/QtoqEkF2MJQvdd7/Q4VMEEuleBQSO45+CfTREUlGqIQEjvq+Gde6DkYOaEQ0Xm5/ETzhDUXJaIQSKBv/88WDEEZjALQcFjw+Gjm+CUz8QJQZGrK/Yz+9CUmqHMQXeQD/ixMAEEVUuNQVo/1/uD/4DED8DLQipxHATynZD0SzGPQC+aDA702zCEmb3MQ7n5k/Saz6C03sWPQ result_proc0003_0001 > L62uS+U5G3EE/9IAQwFnH/6+NEFkb0L5PXYKV+u1QBF08l0pv22xh/eSk/EUU1i5v9uqA/G81bFEXHS8PR70r/OTzqF0esIzPdA1m/+A9AGks3q4PICT3+GtLDG0VKs/PuBD8/GzjHG05gBwP7DAN/4fN+EEH6JDQJeF1/CZO/EEMg/5PHkRT/K01dF0uHUCQsKqB/w4ChFUA9i7Pm9Cj/CJ+oFE0oRrvsCoGArJLmF0ti20P result_proc0003_0001 > L+6Jj/8IqAFUHMwwvl9/z/AL89EUVyK/vIr2i/0ilpEU+TKCwDQTN/0FkpEko81GwRLVSABxL9EUILA/vFU1cAJCD8E0Ut+EwuFRqAxS28EExtlEwyNluARqFqEUtO6Bwh4VwAlEFXEk6zSEwJ4HuA1XkUE0IqsIwvKT0AdN9GEEaPgBwFyy3/cpHCFEl3YmP26+p/UNlLFUO4/BwnyeYARgWLFU9D+6vDYmXAVcRvEkdzc6vhlWYAdvHtEkiG8Gw97gXAREiJF09IaHwDvstAV6n9EkB6SIwFcpsA939KFkWAVCwz0YwA9uZrEEBe97v8QGrApI5gEEK6wJwBUcvAtoUGEUQ1lJweXA2ANy4IEkPVK7vkjn1Ah+bxDkhhSDw result_proc0003_0001 > LqwAi/IyRYEUM4J+vPErG/I3pDEUx8FBwD3fX/qNgEE0e5pCwx4qo/CC12DEqqtGwt4eU/M5bkD0UZu5vGTgEAl5saDEiIz1vc0RFAVIH8C0vATqP2SvPAVTrHD0B/SAwljyr/4+bZEE/x80vgr8l/8tQ/DUZ0oEw+6Io+wFCuDEpnlpvj5zu+oT2GDEKlk8vQ+iMA1TM4DUaTFxvbT5VApuM1CkEoKxPT+z6/I1xKDE4Bc5PeNO6/4RdeCE6M6XPYrLgAB9xAD0Jjl+vqSuHAhTKqCkBbeBw1bMPABqbeD0VUmDw result_proc0003_0001 > L+AS1/OWePEkAS0+vSTeRADgrRE0XBeAwsIdVAvcPeEk3DmFwc/+hAvtIZE0laVIwYkrcADejcE0CMC3vTm7dA798OEU5fSqPBg2kALZoaEU+2e7P6qklA75+MEkOKxCQtWWrAHeLYEkv/JHQM4uo/y1dWEUihP4vI4RYAXCwBEEPj/AwQLUUA39UrEkSXBzvEoemAvR1gEEx5z5vhyJjAfgDAEEfQ8cPpd0NAvoFLEEAKkyP76pgALXdpE0m/X9Ppp6sATumeEEgA14PB0vpAPdQ8DUY72BQYRFbA/nAJE0DOJEQWrprA/pnOEk2JNJQ1VdnAXt2lEEPwCIQOM3yAnTrbEUPI9FQ result_proc0003_0001 > LQ7eIAbhsuEUjlfGwmwPKA/dt7E07BqJw1ONEAHC7uEEu0IMwUq7NArTaxE0BZQOwRnS4/SboPFUeubJwzAfEAHqggFUw7/GwIuQq/GvUzFkaGlGw3BA9/WnnCGkZEMDwqZza/aVTLGUrrMCwFyN6/a7RyEU+HxDwec2aAXfxAFkkI4JwOapQ/qGALFES1xIwIGI1/6sEXF0KTZLwEi/TAr0TmF0EEMIwMzhGA3IbZFk7MDDwOOLx+ii/tFknDyEwnncj/a0f5FE1JSJwXDYMAfGAGGkfWNFw6BuDALQz+FkGIt+vSXCr/ClERGkqP4/vEh779S9RIGUpZQAwfA4H/GLdOGkGWuFw result_proc0003_0001 > LFjMo/KbOhEUvN3Lww33U/OMeTEk9iDOwUWK9/KLcDEk8OzOwI0PCAbgL+DUyClQwiJl6+01hHEE3ZSNwF3R3/okPVEESZINwhF6NABL6HEUb8/LwayHBAp7rdEkKt5PwFtrR/eVUgEkBsFKwuD0H/qeddEEUzyPwAC2n+4KGAEkhwVLw9IlI/Yj21DUlJwOwJ65x/kJqiEEpzxLwLCWcA98pREEyz4Lw+yrJANqVCEUJHAKw8CzQAZTZ0DUx3SNw/ojPAVicnE0rkyPwKY1DAtKSQEkCLoQwA20n/s7YnE0ttUQw result_proc0003_0001 > L4/OJAHiY1DE8wxMws5GbAb4PYDklEONwWYBiAfRsHDUQMlKwZ6mrALEDLDkxsDKwEn1EA3qc8D0Qn4KwWF1jAXytoDErCVOwPK1VA7Lb9CE7kcOw result_proc0003_0001 > LVUCWAHrz1C06H7IwxxzcAHJYgCEX68Ew/QOKALlabCEfzDBwhIhv/GceXCkR5sCwwqQjAf1hpB09oQGwBkpnADLf5AUMGcBw0zNuAXdyt+D8jQDwFS+5AvR49/DFmfGwJnSGA30F3C03wXJwdAekAP0B0CUjjADwlDxpAvxlxBkdnjIwyucaATvJBBEXsEIwqjIhALkmqA0xXZ9vz4YtAXC0hB03Or+vZ73+Af65S+DgZ2Hwzwi+A/k3lAUuurDwi7q3ADX+lAU7f9Iw result_proc0003_0001 > LyhNPADaobCEppk3vv3N+/m3qUC0x2FXPmJY+/62xMBUx+lwPH83k/O5ZYAksEBaPRnBDALGcyC0TR25PviqXAPB3sCE5x/9PYejeAjAwgCUxSMzvnvld/qZobCkHxorvqWdu/anOsCEadCAQOy9AA3geTDEOli2PvO7VAXXddCUjwSCQ result_proc0003_0001 > LRloNAr7/4AEgWs7PfvSPA7BqF/jw5CAQ/y6YA/wdU8DuE93PTUplAH4Yh4z2JE5Pra1cAXHsG/TcSJFQ/1KRAjm6DAkxxCJQVkxTAXEpiBEeSdJQGRyeAntEFC0mrzHQ3TvKArlxBCUbLVLQXeuXA7r1mBkrkV+P8rg+/G2yY+DjeCBQ0AdlAX2aLAEEoiEQ16NhAfyqK8jAQ/FQjfTXAnIAF/T+7yKQfCOAALGzp/Tqw2IQ result_proc0003_0001 > LEwZMArBiw5jscMKvqA0TAfoFp8bbgl4vCBdQA3ToHA8PkAzv408//y/neAskxBfvtWMIArRV467w5iBwvcjPA7SGa+rYDRGwIB4DAXXbg97KdrJwVBar/Wluo1bIbmJwLmIJAbnR5+b8JtLwT8u6/C+Ma8j0UQYviBdiAX/T/77mpw5vc6dKAjWOw8zpLmCwedJu/+pxF8bxfBBwoxBNAXxYQA8gwUFwSbUgAPsWG+rKN3Gw result_proc0003_0001 > LIeFgAToN9AssuB4vKkseAXOUMCMyhnzvp3KQAv4qiCcK019vXDtXAnZh5CcWidCwkibqAvw+gCs+NO0vZIoqAHKQYDc7hjmvtevmAfFBmAcxpk7vFoAYATRjQCcT6soPgM4vAbWAPCM3M4fv1TltALtlfCMQ3O+v result_proc0003_0001 > LL4m2/GZ8bCMEls8vv5VP/G5srCsVoPCwHAbn+OCSZDsWq8Awxtm/+IrdgDcQfq6v2hJ++UI3OCsGGaCwkVAa+UXkDBsqtcEw3N8u/8DRPAMyPfEwinXn/gqXm972WjGwPxuCAB8B21zUH8Gw+ZcWAxoy94re9YFwrDW7/0Rzf+DpCcIwruCs/CXfLCsjqh0vXYpm/aCjrCMmwLGwWpIa/cjKMCcfK08vMI3n/k3MdCMY89EwzVPJ++elGBsdpQIwuONA/u+EkAMj23BwMYQ7/IajJAcJTbAwGXbDAd5CuAcRiAHwcCol+8Ias87GNyHwC4TaAhAAM+rsM6DwKC3gAdDuI8D6grFwfcDa/AO93+jiKCJwKS8IAFU17/TBUlIw result_proc0003_0001 > LygQW/aOA4DMn66DwhMKG/iikSEcq21CwD3YR/a7BgE8g13HwhX9Y/CMgXEsXJJKwBo4w/e2taEMix28vCrBQATJlWEcBi8+vsLKbAvVtpE8ko9BwEl0WA3fG8EcM/hAwNXzkAf7elEMCptFwxLVu/yN4vDMgeAHwWZo3+obUUEMBufBwndhs/W65rEMFJ37vPOfo/axHTEceglyvQH5XAzR8SEsYfw2vQviRATbEJEcmBNCw/HvoAPjdxEMnBgHwKOUmAzQVWEsgPwGw result_proc0003_0001 > LxpaS/C2G1EsHmLHwc6Rc/y9yDFsYb1JwmWhEAXgmAFshYOLwsHZQA7auxE8g0lKwu77U/We4aFs8X5Iw9B+C/ACPhF8qVuHwKGnI/g4l4FMI1rGwXFzS+mCC/F8YpMCw9VkS+4+7+FM78F6vZmPt/oct4FM3gM3vQnwI/WWjCGs/2+pvIHNM/i4G7Es4zcDwRIYF+SVqAFs6eRLwvDcx/igxdFceQmGw13ci/idnlFs9miKwRutp/UoBdFMlwVJw1lCQ/8EzYFcZm/Dw6cCn+sCrAGsF6GJwvXT1/Ub38FcPbxFwOchk/Kp9BGMw+/Cwd70AARu/zFML8Z9v2Uv2/E6o4F8j8uHPk3Ty/Ol8EGMHC1wvZsjr+KFhCGsqQcyP result_proc0003_0001 > L49ZJAP0pOFsD4HNwwsscAHngMFcVYvOwbu3nAjfTXFMvpZNwEgdvA/W5dFceFvOwBLHZALmOWFssrwQwlEXHAX/2LFcaUmRw7qCFAbB2XFc5p6SwkVsMA7fa0E8Gi1Rwtz/+/WGJbFszEdNwoZJgAfHj7EMby9Ow55KVAb+FnF8JMpQwrG/jAXtCVFMP4URwmDXw/mgDNFMLRERwib2w/ykeQF84wgTwHC7AAzUfoFM65tSw2nFUAPtJXF8XvdTwiVEAAfkCtEsgnbSwc+2bAf6MzEcNqXSw4Y+NA/NLsEMTQ4Qw result_proc0003_0001 > LyAbnAHQEZF8UUwKwpjDwAPO5iF82gOJwEcQ5AjrRTF83dzIwWGw3AP40/EcHi5IwkV6rAviyqF8stCFwEFVjAbPA8F8bRaFwVFueA7hlBG85jBAwvw8jAvk08FczcK4vS+cPAzngHGM8Gt/vJt7gAP/cTFsBvxJwkjFzA7KkwFstaWKws8loATXXdFs9ozCwhuiyAfTPxF8jutCwY+lmAX74EGs2qhHwrDRZAP111Fcl7uHw result_proc0003_0001 > LvSZBBX45bFM7lVIw+1LGBLhyOFspgDIw1LjGBvrFFFMCDiCwlBdKBr0U6EcN/MBwfgMLBbKAcFMhkpIw19ZMBb7PtFMs1KFwmVdRBTJj5FsIZmGwoOaSBneAGGcV9vCwa+hTBLkMCGMmgc6vwWtBB3m9rFM+ILIwHt9FBjFrBFc8SfJwlKqOBDNcRFMCAxIw+PxKBjHyjFsFulKwDxDJB/Ka4F8cA9EwNO7MBvm4lFMaOQBw+64UB/2xuFcNydGwxfGRB3s4/FcDrUJw5tyVBvDwKG8vVIEw024OBvRJLG8rJqCwasIUBDAjIGsbPMzvlhYQB36z7FsL6e3voY1WBT4F7F8s/e6v result_proc0003_0001 > LNYdCB7m9IFs92j+v7YgCBDiICFMwXotvxb8DBb5hqEsmwvpv17AHBnERkEMJbMxPbTK6ALLgGFMiFJmP9/W5A3/p/EM7Tb9PUdJ2ATMrjEMeG6+PlpzoAXSHjEc48s5P+5d+Az21QFs0TtAwamjFBbtQLFckcTdP5Ja4A/TjXFM4D5iPJ36zAPFK+E80/tqvXReABXltCFcg8tAQmfLzA/HBJFMvTtAQvKtlAX60SE8v/E6PGCujA/RqtEc3Rc+P6B3oA7ghoE8b0QjP result_proc0003_0001 > LrRtBBvQfdE8bii5veRVCBjVVGEceu34v/zIIBjyh/DMbzk6vmztJBzoxbDsesz3vfYo9AjfX2DsMwlAw7VbvAPTF8DcV/z+v2QC/AfxxjEMmsj/vYjFBB/0IBE8k71evLhY/APHmBEMKMjEwu2f/APpTUDsplqAw result_proc0003_0001 > LuXTLBjuUOEsocC/vDs6QBT86JEMOopAwKzZUB/dTOEcZXG3vf5FZBjOUIE8Y5j2vkt1SBDXRXEco2ZFwnYDQB7wJSE8nXVJwqDLSBb9CgEMVKmLwQ8ZPBfy5aE8NrOOwAHbRBThcoEMFtOQw86xJBbM0cE8hLdAwusURBn6CyD8+IqBwjCOSBfANoEcfmjEwdqHXBjr1UEsgT+FwZxsQB70XBEMkn1JwxJxLBTx2UE846HJwo9gRBze3wEcLaHLwPUdWB/5ZdEMVx0LwrLEQBn/JKEcs1uOw2QHLB7eedEcdWBOwRcfPBDcjkEM7TFRwj2wQBviB4Esq/AQwQxYVBzD+lE8eUWQw result_proc0003_0001 > LrdFSBTeyYEMOWcWPJo+UBvXAeEMdLP6PJXDTBLEZQEs6nyBQ/zHWB/YYLEchobFQXBVUBXBw1E8wX78P2afWBvw6EFsdN4wPKltVBjSFcF832j2PldYTB7rXgFMC3d/PezcXBzwgpFsVPCiPcDOOBznQdE8BvcQvcpNZBL6qaEcaS+4PAkGQB7UY5E88NF+PdQYWB/WQ5EMBfNCQvAwaBvw4BFcb4ftPPufUBbOmBFcbRgsv result_proc0003_0001 > L948NBrjcKEMvlqBQilnLBLUc6DMUY3FQbp3FB/uSuDshTiEQsatDBfMh7Dc2mbAQMUoLBjgNPE8SYK9P3uAOB3KldD8x/XGQzvuLBXZ3FEMvx0IQ result_proc0003_0001 > LzIaDBHJCVDcEBBIQrkn7AjnBJDskKZHQCss1AbwwKDsR3WKQjvn5ADZ66C80vYMQbzk6A/z7bC8Ss9EQQ/4/AHUraCsOUx/PeI3uALNMQCc85NEQQDeFBHO3JD8S1mJQdF13A3YxfDMetrEQWCV+AzgrECscZnHQFceABrWW3CMFAO9Ph4RuAT9cgBcp5fCQoV0qArtwQCMhhCIQyWFrAzCKnCMKfiBQ result_proc0003_0001 > Ly8OsAjEHeD8kcVKQP45kAvKSbD8yLmMQ9oGTAf0kRD8d5qLQXUhEA7X7MDMqKTNQoHDlAn8WCEM5JLOQrImhAPXjTEs5LmMQQ2DqAj8NvD87atIQwbinA3rSBD8YV5NQlIxfArB0AE8i16PQhIItAH5bFEcgP5OQfd0VALPLPEMz10LQ result_proc0003_0001 > LJXNQADAjODMM2CJQ4pF2/e1BID8ZoxHQlp8j/6ygcC8XVqIQaITv90a1WCsvJ0IQ6S/3/+V/LDcxcrBQZ9fCAb0E4D84FV/PEs5m/mUaNEMu/bBQQm1682flKEcga5AQkn61/GLidEMybVDQL+/cA3Z0QDsJuoHQpVrg/WIpgDceXqIQDVYHAXpz0C838FAQ/pdR/emcEDcYj+/P+6fSA3Ja/DsemIBQgJHDAXVd3DMZzP1P result_proc0003_0001 > LjiLAA7Jt7Bc+bJJQQ9Nz/KIlkAM/ryJQbjuQ/20RiA81VVMQ/O4i7CP0L/7/oyMQK5LNATZUV/LdoHKQHbocA/GaKAsgWQMQVqLjA/F6LBsX/1LQIEjeAfCuB/rwzROQeC8PAH/5EC88XEJQDjhf/CwKMAMqnJIQia/HALg5o8LJZpKQLEuVAna3M/bYMOIQ result_proc0003_0001 > L9enZ/akYkB8V1+NQnn3J+iAspBc/wPQQdm2q/kPukBcXmAQQbYVBANM4DB80E2QQLzFB/ij5dC87/+QQskCx/aMGKC8P4eNQe7c5+qbJzAcFQ3QQ/K6J9AgafCsj26RQBuvy/6OWeCslsMRQkDTh+qwW5C8AYXQQ result_proc0003_0001 > LZM94/czwCCcByuNQMnITAVgjCC8WVCNQ1agXA1gGKBsyHrKQK9/jAVpJfA8epkKQ9yvaA1c6vC82lYMQnehZAVcDPDMMFuOQjwmgAFgM7Dc0kAOQTUMjAtUHBEsLVuLQ3K9gAVk9KE8CPwPQwUvj/4TtPCM+IcMQE0KcARRdtBsx+vOQ2hJRA9v78CccXwKQ3xplA5C3uC8y+sLQGnnhAtqxCDMOfLQQVIBJANr4QDciLaPQ result_proc0003_0001 > LKsoIA1dRIBc5oxIQFM0LA19aZAMdhkEQRe/MA9ccl9LzTkFQoB2ZAFIpG5LmIHDQQ6kz/8sOsAcoxpAQRQbz/0mSDC8Jhy8Ps/9MANwuLCcfbT0Pmi1KAp52yCMs6e9uu/UbABzqID8mgswv5fgnA1lz6CcUlLsvcotXAtCAsDcNt35v3ui1/sTKoB8YLEJQ423aAFDKuAsgfyCQhkxJ/cE2hAMOKnCQKMe1/wp+//bsEl6P/F6y/88TaC8t7qBQmXSO/I8wHCsPkm3P91aPAh6fiBcYh2ZPD76aAN05OC8/IU7Pwe23/0Qh+CMF+zhvT74oA9EzfCsKSahPO/rtABtJLDsGzh0vNukIAFSq2D8qz36vSFCiANkV8DMAmF9v result_proc0003_0001 > LfYA//cZzR77+6lIQY+H8/IIhC+T20IJQFT4TAli1M/Tm31JQR09ZABbTqAExb2IQ5IbY/0D2j+z2GZLQmGuN/Y23vA0e/HMQb79//82dVBk2lXOQhKVz/orOaAkYkqQQ/SAs/A19F+LvbnJQjc6w/YU2C/Tg6qGQtnQx9udqk9jA30KQMlVm/wt5+8z34LNQxRkP/MrqWB0SLUKQuSfg+CoU5AEILFNQQUAFAZliqAUWBdRQU08F/A0GqAkVa/QQjUS1/Y3ur+DPDdQQ result_proc0003_0001 > LNUmfAp/Gm9DEwjLQwCXqAFbgs+TwTaMQ7QSyAhdNp+zFPGKQUAq4AhOtPA0KqwJQtSauAt1957jqZtOQAVuZAlorE0zhsSMQLcqpAtUQYA0nHGNQkYT2A1n7V9j1sUPQGf5oAVvGQ8j8iMQQV77uAZqnM8bW+DOQ result_proc0003_0001 > LDi2xAFGiE6zHdgIQrS65AFAzOyzuP6EQjuc3AZBIN9DBmq/PVZQ+AxFvv9DBbo4Pjlk6AFHl7+7PllDQiUk9ANlJXA87gIIQht/DBxLP8/L32UJQaNXIBJXJGAM291GQ4N9KBZKrPB8C+vFQrHlJBNxYLCc2bGIQNo4OBdtUQBsZkNCQaJyrAhcSM7LLbuIQ290ABZKev6z7FcGQRl4yABBRn/rJvDCQBhPAB9+qP/L/ccAQxLc3A5tmSAcjarJQUEL+ARrPZB8fZ5GQkizDBZh3u9rXA/JQ/J3EBF4LnA8yECLQiRiJBtMkh+rDI4EQG8kGB54ILCc29cJQ3hhLBBF8mCscaYHQ1X8PBZlpZAcn6UAQ590QB9qsDCsCJZBQ result_proc0003_0001 > LeVrtARAgo+T3p8+Pj9cqAFJ6IA0b7vzPeDmwAN0FdBkEiUzPMH5wAh3iECEc4AqvsQ+cAlYPZAUn6O0PJaMQA5k7Z+jovEqPZAnYABtpa6zUaLrvsJC4/Eo9W+D6nnyPZGWoAN8DR+DJ3aCQfYZsA9fWN/zeh2jv6NHYABZMqAkfbO+PGrKZAplZPBUaTWfPDMel/UxTS7jaZjsPKawr/cG/2/zSEn5P result_proc0003_0001 > LUWf1ABcLzBE5rr+PtAL7A93HiCkIDu/PnprCBNVSiCkOiC5PKwMFBhVoDDk7TJ3PRSA+AV3yqCkmZtFQsQdEBl+hKC0GMHIQxNR1AxKxKBUihfCQmn91AJJt7CU7848P95FABVxWMD0JKMGQHcB3Atz3kC0R0GIQ result_proc0003_0001 > LyxLEBJcq5BEOkAyP/EIJBFnVwBUaqngvZPeIBJU2ICkZ/c8vOiZMB1n+SCkKi6Aw5E4KB5XgSAUMnmiv+XXMB9Tjb/jxWj5PeOKOBZfgQ6DCF+4P0TlOBlzcu5r34vQPW+GPBFHtY67ygnAQu31BBJ+1FB02GX0P0WPMB1D8KCkZ0VrPgbqHB530W/Tt3PxvgHVOBN5kLAEe5J1vLFlPBZpGUAkRc+8Pas6IBlh3k/TCH2+P result_proc0003_0001 > LKSfDBxhoLC0+iCAwbbVCBFa8WCkKDlFw7864AVegiCUjlTGwe3e2A1XaFDERH5HwnsGyApltICUKuSFwIxyDBREUkB08JoIwEkhCBt4l3BkziSLwI7aABN2wFCUoCC7vzmvEBdkwyCkKrpGwcsDIBJy7WBkDXdIwl5pBBRb6qAkyeAIwNs1FB1LY1BUoeQMw result_proc0003_0001

linux.gcc.mpi.serialization.integration.mpi.helical_bundle_predict_psipred 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.helical_bundle_predict_psipred」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/helical_bundle_predict_psipred/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/helical_bundle_predict_psipred/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/helical_bundle_predict_psipred/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/helical_bundle_predict_psipred/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/helical_bundle_predict_psipred/output.silent and /home/benchmark/working_dir/commits:20505/helical_bundle_predict_psipred/output.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/helical_bundle_predict_psipred/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/helical_bundle_predict_psipred/mpi_log_0.filt 88,92c88,92 < 3 4 13.6813 -84.9299 0 0 3,2,1 < 3 5 11.8729 -76.1613 0 0 3,2,1 < 3 2 16.7805 -65.7029 0 0 3,2,1 < 3 3 16.4876 -38.1108 0 0 3,2,1 < 3 1 15.4164 -27.4102 0 0 3,2,1 --- > 3 2 13.9677 -84.8744 0 0 3,2,1 > 3 3 18.5028 -74.4496 0 0 3,2,1 > 3 5 15.4934 -64.0577 0 0 3,2,1 > 3 4 13.026 -51.793 0 0 3,2,1 > 3 1 17.3981 -20.8362 0 0 3,2,1 95c95 < PNear: 2.03333e-249 --- > PNear: 7.51047e-310 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/helical_bundle_predict_psipred/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/helical_bundle_predict_psipred/mpi_log_3.filt 1639,1641c1639,1641 < protocols.relax.FastRelax: (3) CMD: min 117.419 1.99713 1.99713 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 117.419 1.99713 1.99713 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 236.223 1.99713 1.99713 0.14575 --- > protocols.relax.FastRelax: (3) CMD: min 117.421 1.99715 1.99715 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 117.421 1.99715 1.99715 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 236.241 1.99715 1.99715 0.14575 1645,1717c1645,1726 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: 193.911 < protocols.relax.FastRelax: (3) CMD: repack 193.911 1.99713 1.99713 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 199.533 1.99713 1.99713 0.154 < protocols.relax.FastRelax: (3) CMD: min 161.454 2.57847 2.57847 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 161.454 2.57847 2.57847 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 216.257 2.57847 2.57847 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 617 rotamers at 68 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: 208.525 < protocols.relax.FastRelax: (3) CMD: repack 208.525 2.57847 2.57847 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 212.751 2.57847 2.57847 0.31955 < protocols.relax.FastRelax: (3) CMD: min -9.51162 13.5794 13.5794 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -9.51162 13.5794 13.5794 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 2.69978 13.5794 13.5794 0.55 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 750 rotamers at 68 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -5.33073 < protocols.relax.FastRelax: (3) CMD: repack -5.33067 13.5794 13.5794 0.55 < protocols.relax.FastRelax: (3) CMD: min -17.216 12.8161 12.8161 0.55 < protocols.relax.FastRelax: (3) MRP: 0 -17.216 -17.216 12.8161 12.8161 < protocols.relax.FastRelax: (3) CMD: accept_to_best -17.216 12.8161 12.8161 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -17.216 12.8161 12.8161 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -17.216 12.8161 12.8161 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -39.3245 12.8161 12.8161 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 799 rotamers at 68 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -44.6314 < protocols.relax.FastRelax: (3) CMD: repack -44.6313 12.8161 12.8161 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -43.4587 12.8161 12.8161 0.02805 < protocols.relax.FastRelax: (3) CMD: min -68.8603 12.1441 12.1441 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -68.8603 12.1441 12.1441 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -25.8419 12.1441 12.1441 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 747 rotamers at 68 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -27.9354 < protocols.relax.FastRelax: (3) CMD: repack -27.9354 12.1441 12.1441 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -25.5972 12.1441 12.1441 0.154 < protocols.relax.FastRelax: (3) CMD: min -44.6791 12.2901 12.2901 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -44.6791 12.2901 12.2901 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -30.1209 12.2901 12.2901 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 749 rotamers at 68 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -30.3485 < protocols.relax.FastRelax: (3) CMD: repack -30.3485 12.2901 12.2901 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -29.2108 12.2901 12.2901 0.31955 < protocols.relax.FastRelax: (3) CMD: min -29.4836 12.2882 12.2882 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -29.4836 12.2882 12.2882 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -7.96461 12.2882 12.2882 0.55 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 739 rotamers at 68 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -8.14668 < protocols.relax.FastRelax: (3) CMD: repack -8.1467 12.2882 12.2882 0.55 < protocols.relax.FastRelax: (3) CMD: min -26.0922 12.2538 12.2538 0.55 < protocols.relax.FastRelax: (3) MRP: 1 -26.0922 -26.0922 12.2538 12.2538 < protocols.relax.FastRelax: (3) CMD: accept_to_best -26.0922 12.2538 12.2538 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -26.0922 12.2538 12.2538 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -26.0922 12.2538 12.2538 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -49.4679 12.2538 12.2538 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 793 rotamers at 68 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -51.5073 < protocols.relax.FastRelax: (3) CMD: repack -51.5074 12.2538 12.2538 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -50.6768 12.2538 12.2538 0.02805 < protocols.relax.FastRelax: (3) CMD: min -51.86 12.0936 12.0936 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -51.86 12.0936 12.0936 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -29.0164 12.0936 12.0936 0.14575 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: 193.918 > protocols.relax.FastRelax: (3) CMD: repack 193.918 1.99715 1.99715 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 199.541 1.99715 1.99715 0.154 > protocols.relax.FastRelax: (3) CMD: min 161.793 2.58218 2.58218 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 161.793 2.58218 2.58218 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 216.948 2.58218 2.58218 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 616 rotamers at 68 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: 209.04 > protocols.relax.FastRelax: (3) CMD: repack 209.04 2.58218 2.58218 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 213.289 2.58218 2.58218 0.31955 > protocols.relax.FastRelax: (3) CMD: min 1113.04 12.7325 12.7325 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 1113.04 12.7325 12.7325 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1937.23 12.7325 12.7325 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 733 rotamers at 68 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: 1917.94 > protocols.relax.FastRelax: (3) CMD: repack 1917.94 12.7325 12.7325 0.55 > protocols.relax.FastRelax: (3) CMD: min -11.1544 15.5209 15.5209 0.55 > protocols.relax.FastRelax: (3) MRP: 0 -11.1544 -11.1544 15.5209 15.5209 > protocols.relax.FastRelax: (3) CMD: accept_to_best -11.1544 15.5209 15.5209 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -11.1544 15.5209 15.5209 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -11.1544 15.5209 15.5209 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -31.7437 15.5209 15.5209 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 775 rotamers at 68 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -42.0728 > protocols.relax.FastRelax: (3) CMD: repack -42.0728 15.5209 15.5209 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -40.2458 15.5209 15.5209 0.02805 > protocols.relax.FastRelax: (3) CMD: min -46.856 15.3603 15.3603 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -46.856 15.3603 15.3603 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -15.2365 15.3603 15.3603 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 752 rotamers at 68 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -26.9056 > protocols.relax.FastRelax: (3) CMD: repack -26.9056 15.3603 15.3603 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -25.8508 15.3603 15.3603 0.154 > protocols.relax.FastRelax: (3) CMD: min -34.3628 15.552 15.552 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -34.3628 15.552 15.552 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -21.9275 15.552 15.552 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 744 rotamers at 68 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -21.9346 > protocols.relax.FastRelax: (3) CMD: repack -21.9346 15.552 15.552 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -20.9549 15.552 15.552 0.31955 > protocols.relax.FastRelax: (3) CMD: min -22.6709 15.5361 15.5361 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -22.6709 15.5361 15.5361 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -5.56612 15.5361 15.5361 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 740 rotamers at 68 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -5.87814 > protocols.relax.FastRelax: (3) CMD: repack -5.87815 15.5361 15.5361 0.55 > protocols.relax.FastRelax: (3) CMD: min -20.0958 14.9108 14.9108 0.55 > protocols.relax.FastRelax: (3) MRP: 1 -20.0958 -20.0958 14.9108 14.9108 > protocols.relax.FastRelax: (3) CMD: accept_to_best -20.0958 14.9108 14.9108 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -20.0958 14.9108 14.9108 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -20.0958 14.9108 14.9108 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -41.0755 14.9108 14.9108 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 801 rotamers at 68 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -44.4877 > protocols.relax.FastRelax: (3) CMD: repack -44.4877 14.9108 14.9108 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -42.572 14.9108 14.9108 0.02805 > protocols.relax.FastRelax: (3) CMD: min -59.0537 14.2482 14.2482 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -59.0537 14.2482 14.2482 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -21.7063 14.2482 14.2482 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 772 rotamers at 68 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -24.7988 > protocols.relax.FastRelax: (3) CMD: repack -24.7988 14.2482 14.2482 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -22.8148 14.2482 14.2482 0.154 > protocols.relax.FastRelax: (3) CMD: min -38.8357 14.5799 14.5799 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -38.8357 14.5799 14.5799 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -26.1601 14.5799 14.5799 0.30745 1721,1744c1730,1744 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GE

linux.gcc.mpi.serialization.integration.mpi.helical_bundle_predict_psipred_with_helix_globals 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.helical_bundle_predict_psipred_with_helix_globals」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/helical_bundle_predict_psipred_with_helix_globals/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/helical_bundle_predict_psipred_with_helix_globals/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/helical_bundle_predict_psipred_with_helix_globals/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/helical_bundle_predict_psipred_with_helix_globals/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/helical_bundle_predict_psipred_with_helix_globals/output.silent and /home/benchmark/working_dir/commits:20505/helical_bundle_predict_psipred_with_helix_globals/output.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/helical_bundle_predict_psipred_with_helix_globals/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/helical_bundle_predict_psipred_with_helix_globals/mpi_log_0.filt 89,93c89,93 < 3 5 12.5857 -105.932 0 0 3,2,1 < 3 4 16.4471 -101.904 0 0 3,2,1 < 3 1 16.9339 -87.794 0 0 3,2,1 < 3 2 15.0626 -34.2276 0 0 3,2,1 < 3 3 10.5378 -27.4016 0 0 3,2,1 --- > 3 5 8.60221 -104.923 0 0 3,2,1 > 3 4 14.9844 -92.2164 0 0 3,2,1 > 3 3 12.6018 -91.4149 0 0 3,2,1 > 3 1 17.4671 -18.1671 0 0 3,2,1 > 3 2 14.6818 4.44812 0 0 3,2,1 96c96 < PNear: 9.59144e-228 --- > PNear: 2.8339e-129 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/helical_bundle_predict_psipred_with_helix_globals/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/helical_bundle_predict_psipred_with_helix_globals/mpi_log_3.filt 1641,1643c1641,1643 < protocols.relax.FastRelax: (3) CMD: min -74.2064 7.0892 7.0892 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -74.2064 7.0892 7.0892 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -1.19866 7.0892 7.0892 0.14575 --- > protocols.relax.FastRelax: (3) CMD: min -68.463 6.29256 6.29256 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -68.463 6.29256 6.29256 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 4.23673 6.29256 6.29256 0.14575 1645c1645 < core.pack.pack_rotamers: (3) built 784 rotamers at 68 positions. --- > core.pack.pack_rotamers: (3) built 754 rotamers at 68 positions. 1647,1652c1647,1652 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -10.2553 < protocols.relax.FastRelax: (3) CMD: repack -10.2554 7.0892 7.0892 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -5.80586 7.0892 7.0892 0.154 < protocols.relax.FastRelax: (3) CMD: min -45.1518 13.1319 13.1319 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -45.1518 13.1319 13.1319 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -11.769 13.1319 13.1319 0.30745 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -3.42365 > protocols.relax.FastRelax: (3) CMD: repack -3.42367 6.29256 6.29256 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 0.987299 6.29256 6.29256 0.154 > protocols.relax.FastRelax: (3) CMD: min -46.1895 12.6421 12.6421 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -46.1895 12.6421 12.6421 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -12.82 12.6421 12.6421 0.30745 1654c1654 < core.pack.pack_rotamers: (3) built 743 rotamers at 68 positions. --- > core.pack.pack_rotamers: (3) built 752 rotamers at 68 positions. 1656,1661c1656,1661 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -11.0831 < protocols.relax.FastRelax: (3) CMD: repack -11.0831 13.1319 13.1319 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -8.48657 13.1319 13.1319 0.31955 < protocols.relax.FastRelax: (3) CMD: min -23.5921 13.388 13.388 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -23.5921 13.388 13.388 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 13.517 13.388 13.388 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -12.9629 > protocols.relax.FastRelax: (3) CMD: repack -12.963 12.6421 12.6421 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -10.3747 12.6421 12.6421 0.31955 > protocols.relax.FastRelax: (3) CMD: min -10.4145 12.6425 12.6425 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -10.4145 12.6425 12.6425 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 38.8328 12.6425 12.6425 0.55 1663c1663 < core.pack.pack_rotamers: (3) built 741 rotamers at 68 positions. --- > core.pack.pack_rotamers: (3) built 740 rotamers at 68 positions. 1665,1690c1665,1672 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: 13.4258 < protocols.relax.FastRelax: (3) CMD: repack 13.4258 13.388 13.388 0.55 < protocols.relax.FastRelax: (3) CMD: min -81.721 13.9488 13.9488 0.55 < protocols.relax.FastRelax: (3) MRP: 0 -81.721 -81.721 13.9488 13.9488 < protocols.relax.FastRelax: (3) CMD: accept_to_best -81.721 13.9488 13.9488 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -81.721 13.9488 13.9488 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -81.721 13.9488 13.9488 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -105.661 13.9488 13.9488 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 797 rotamers at 68 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -107.365 < protocols.relax.FastRelax: (3) CMD: repack -107.365 13.9488 13.9488 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -106.89 13.9488 13.9488 0.02805 < protocols.relax.FastRelax: (3) CMD: min -115.607 13.8768 13.8768 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -115.607 13.8768 13.8768 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -82.1745 13.8768 13.8768 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 765 rotamers at 68 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -86.4301 < protocols.relax.FastRelax: (3) CMD: repack -86.4301 13.8768 13.8768 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -84.7254 13.8768 13.8768 0.154 < protocols.relax.FastRelax: (3) CMD: min -99.4531 14.1315 14.1315 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -99.4531 14.1315 14.1315 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -86.0386 14.1315 14.1315 0.30745 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: 38.504 > protocols.relax.FastRelax: (3) CMD: repack 38.504 12.6425 12.6425 0.55 > protocols.relax.FastRelax: (3) CMD: min -12.5446 13.7878 13.7878 0.55 > protocols.relax.FastRelax: (3) MRP: 0 -12.5446 -12.5446 13.7878 13.7878 > protocols.relax.FastRelax: (3) CMD: accept_to_best -12.5446 13.7878 13.7878 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -12.5446 13.7878 13.7878 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -12.5446 13.7878 13.7878 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -34.5145 13.7878 13.7878 0.022 1692c1674 < core.pack.pack_rotamers: (3) built 758 rotamers at 68 positions. --- > core.pack.pack_rotamers: (3) built 784 rotamers at 68 positions. 1694,1699c1676,1690 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -89.6966 < protocols.relax.FastRelax: (3) CMD: repack -89.6967 14.1315 14.1315 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -88.6691 14.1315 14.1315 0.31955 < protocols.relax.FastRelax: (3) CMD: min -89.8478 14.1469 14.1469 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -89.8478 14.1469 14.1469 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -71.2819 14.1469 14.1469 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -36.3973 > protocols.relax.FastRelax: (3) CMD: repack -36.3973 13.7878 13.7878 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -36.0067 13.7878 13.7878 0.02805 > protocols.relax.FastRelax: (3) CMD: min -36.0647 13.7864 13.7864 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -36.0647 13.7864 13.7864 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -28.4482 13.7864 13.7864 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 763 rotamers at 68 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -29.0188 > protocols.relax.FastRelax: (3) CMD: repack -29.0188 13.7864 13.7864 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -28.6119 13.7864 13.7864 0.154 > protocols.relax.FastRelax: (3) CMD: min -28.6443 13.7865 13.7865 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -28.6443 13.7865 13.7865 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -21.0661 13.7865 13.7865 0.30745 1701c1692 < core.pack.pack_rotamers: (3) built 750 rotamers at 68 positions. --- > core.pack.pack_rotamers: (3) built 754 rotamers at 68 positions. 1703,1710c1694,1710 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -71.3052 < protocols.relax.FastRelax: (3) CMD: repack -71.3052 14.1469 14.1469 0.55 < protocols.relax.FastRelax: (3) CMD: min -87.7895 13.9021 13.9021 0.55 < protocols.relax.FastRelax: (3) MRP: 1 -87.7895 -87.7895 13.9021 13.9021 < protocols.relax.FastRelax: (3) CMD: accept_to_best -87.7895 13.9021 13.9021 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -87.7895 13.9021 13.9021 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -87.7895 13.9021 13.9021 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -111.785 13.9021 13.9021 0.022 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -21.9566 > protocols.relax.FastRelax: (3) CMD: repack -21.9567 13.7865 13.7865 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -21.3872 13.7865 13.7865 0.31955 > protocols.relax.FastRelax: (3) CMD: min -21.416 13.7892 13.7892 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -21.416 13.7892 13.7892 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -10.5813 13.7892 13.7892 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 737 rotamers at 68 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -10.5813 > protocols.relax.FastRelax: (3) CMD: repack -10.5814 13.7892 13.7892 0.55 > protocols.relax.FastRelax: (3) CMD: min -18.1671 13.9722 13.9722 0.55 > protocols.relax.FastRelax: (3) MRP: 1 -18.1671 -18.1671 13.9722 13.9722 > protocols.relax.FastRelax: (3) CMD: accept_to_best -18.1671 13.9722 13.9722 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -18.1671 13.9722 13.9722 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -18.1671 13.9722 13.9722 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -40.9612 13.9722 13.9722 0.022 1714,1719c1714,1728 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -113.216 < protocols.relax.FastRelax: (3) CMD: repack -113.216 13.9021 13.9021 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -112.649 13.9021 13.9021 0.02805 < protocols.relax.FastRelax: (3) CMD: min -112.71 13.8996 13.8996 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -112.71 13.8996 13.8996 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -101.656 13.8996 13.8996 0.14575 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -42.0486 > protocols.relax.FastRelax: (3) CMD: repack -42.0487 13.9722 13.9722 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -41.689 13.9722 13.9722 0.02805 > protocols.relax.FastRelax: (3) CMD: min -41.754 13.9689 13.9689 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -41.754 13.9689 13.9689 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -34.7343 13.9689 13.9689 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 773 rotamers at 68 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -33.0438 > protocols.relax.FastRelax: (3) CMD: repack -33.0438 13.9689 13.9689 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -32.5791 13.9689 13.9689 0.154 > protocols.relax.FastRelax: (3) CMD: min -33.056 13.9742 13.9742 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -33.056 13.9742 13.9742 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -24.3812 13.9742 13.9742 0.30745 1721c1730 < core.pack.pack_rotamers: (3) built 772 rotamers at 68 positions. --- > core.pack.pack_rotamers: (3) built 761 rotamers at 68 positions. 1723,1746c1732,1746 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -105.564 < protocols.relax.FastRelax: (3) CMD: repack -105.564 13.8996 13.8996 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -105.076 13.8996 13.8996 0.154 < protocols.relax.FastRelax: (3) CMD: min -105.111 13.8993 13.8993 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -105.111 13.8993 13.8993 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -96.04 13.8993 13.8993 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 765 rotamers at 68 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: GELPIAPIGRIIKNAGAERVSDDARIALAKVLEEMGEEIASEAVKLAKHAGRKTIKAEDIELARKMFK, best_energy: -97.3881 < protocols.relax.FastRelax: (3) CMD: repack -97.3881 13.8993 13.8993 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -96.7668 13.8993 13.8993 0.31955 < protocols.relax.FastRelax: (3) CMD:

linux.gcc.mpi.serialization.integration.mpi.helical_bundle_predict_sequence 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.helical_bundle_predict_sequence」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/helical_bundle_predict_sequence/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/helical_bundle_predict_sequence/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/helical_bundle_predict_sequence/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/helical_bundle_predict_sequence/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/helical_bundle_predict_sequence/output.silent and /home/benchmark/working_dir/commits:20505/helical_bundle_predict_sequence/output.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/helical_bundle_predict_sequence/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/helical_bundle_predict_sequence/mpi_log_0.filt 52,56c52,56 < 3 3 2.31173 -98.0231 0 0 3,2,1 < 3 5 10.5987 -59.729 0 0 3,2,1 < 3 2 8.87364 -27.8434 0 0 3,2,1 < 3 1 8.22125 -26.483 0 0 3,2,1 < 3 4 5.32062 2.48124 0 0 3,2,1 --- > 3 5 2.05957 -76.0548 0 0 3,2,1 > 3 4 8.39562 -67.4204 0 0 3,2,1 > 3 3 8.18475 -59.8734 0 0 3,2,1 > 3 2 8.29505 -43.0401 0 0 3,2,1 > 3 1 8.63676 -31.5347 0 0 3,2,1 59c59 < PNear: 5.20407e-10 --- > PNear: 4.27678e-08 61,62c61,62 < Keq: 5.20407e-10 < -kB*T*ln(Keq): 21.3764 --- > Keq: 4.27678e-08 > -kB*T*ln(Keq): 16.9675 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/helical_bundle_predict_sequence/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/helical_bundle_predict_sequence/mpi_log_3.filt 1626,1646c1626,1628 < protocols.relax.FastRelax: (3) CMD: min 312.937 5.53407 5.53407 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 312.937 5.53407 5.53407 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1771.75 5.53407 5.53407 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 701 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: 1246.29 < protocols.relax.FastRelax: (3) CMD: repack 1246.29 5.53407 5.53407 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1315.51 5.53407 5.53407 0.154 < protocols.relax.FastRelax: (3) CMD: min -32.876 4.97434 4.97434 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -32.876 4.97434 4.97434 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -20.539 4.97434 4.97434 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 714 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -20.8994 < protocols.relax.FastRelax: (3) CMD: repack -20.8993 4.97434 4.97434 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -19.9329 4.97434 4.97434 0.31955 < protocols.relax.FastRelax: (3) CMD: min -20.4787 4.95965 4.95965 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -20.4787 4.95965 4.95965 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -3.10782 4.95965 4.95965 0.55 --- > protocols.relax.FastRelax: (3) CMD: min 306.939 5.5277 5.5277 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 306.939 5.5277 5.5277 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1741.76 5.5277 5.5277 0.14575 1648c1630 < core.pack.pack_rotamers: (3) built 698 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 700 rotamers at 44 positions. 1650,1666c1632,1646 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -4.35162 < protocols.relax.FastRelax: (3) CMD: repack -4.35164 4.95965 4.95965 0.55 < protocols.relax.FastRelax: (3) CMD: min -24.5353 4.9716 4.9716 0.55 < protocols.relax.FastRelax: (3) MRP: 0 -24.5353 -24.5353 4.9716 4.9716 < protocols.relax.FastRelax: (3) CMD: accept_to_best -24.5353 4.9716 4.9716 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -24.5353 4.9716 4.9716 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -24.5353 4.9716 4.9716 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -45.18 4.9716 4.9716 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 754 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -47.3114 < protocols.relax.FastRelax: (3) CMD: repack -47.3114 4.9716 4.9716 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -46.7667 4.9716 4.9716 0.02805 < protocols.relax.FastRelax: (3) CMD: min -46.8794 4.96753 4.96753 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -46.8794 4.96753 4.96753 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -36.2506 4.96753 4.96753 0.14575 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: 1226.52 > protocols.relax.FastRelax: (3) CMD: repack 1226.52 5.5277 5.5277 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 1294.68 5.5277 5.5277 0.154 > protocols.relax.FastRelax: (3) CMD: min -30.4692 5.03173 5.03173 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -30.4692 5.03173 5.03173 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -18.3769 5.03173 5.03173 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 706 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -17.4708 > protocols.relax.FastRelax: (3) CMD: repack -17.4708 5.03173 5.03173 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -16.6231 5.03173 5.03173 0.31955 > protocols.relax.FastRelax: (3) CMD: min -27.2587 4.97623 4.97623 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -27.2587 4.97623 4.97623 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -15.3104 4.97623 4.97623 0.55 1668c1648 < core.pack.pack_rotamers: (3) built 721 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 704 rotamers at 44 positions. 1670,1695c1650,1657 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -40.341 < protocols.relax.FastRelax: (3) CMD: repack -40.341 4.96753 4.96753 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -39.9011 4.96753 4.96753 0.154 < protocols.relax.FastRelax: (3) CMD: min -39.9095 4.96847 4.96847 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -39.9095 4.96847 4.96847 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -31.723 4.96847 4.96847 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 684 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -32.4938 < protocols.relax.FastRelax: (3) CMD: repack -32.4938 4.96847 4.96847 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -31.8854 4.96847 4.96847 0.31955 < protocols.relax.FastRelax: (3) CMD: min -31.9057 4.96947 4.96947 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -31.9057 4.96947 4.96947 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -20.3464 4.96947 4.96947 0.55 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 661 rotamers at 44 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -20.3465 < protocols.relax.FastRelax: (3) CMD: repack -20.3465 4.96947 4.96947 0.55 < protocols.relax.FastRelax: (3) CMD: min -26.4812 4.95986 4.95986 0.55 < protocols.relax.FastRelax: (3) MRP: 1 -26.4812 -26.4812 4.95986 4.95986 < protocols.relax.FastRelax: (3) CMD: accept_to_best -26.4812 4.95986 4.95986 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -26.4812 4.95986 4.95986 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -26.4812 4.95986 4.95986 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -47.5239 4.95986 4.95986 0.022 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -15.4461 > protocols.relax.FastRelax: (3) CMD: repack -15.4461 4.97623 4.97623 0.55 > protocols.relax.FastRelax: (3) CMD: min -22.2431 5.04738 5.04738 0.55 > protocols.relax.FastRelax: (3) MRP: 0 -22.2431 -22.2431 5.04738 5.04738 > protocols.relax.FastRelax: (3) CMD: accept_to_best -22.2431 5.04738 5.04738 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -22.2431 5.04738 5.04738 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -22.2431 5.04738 5.04738 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -43.4052 5.04738 5.04738 0.022 1697c1659,1724 < core.pack.pack_rotamers: (3) built 760 rotamers at 44 positions. --- > core.pack.pack_rotamers: (3) built 727 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -46.2978 > protocols.relax.FastRelax: (3) CMD: repack -46.2978 5.04738 5.04738 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -45.5261 5.04738 5.04738 0.02805 > protocols.relax.FastRelax: (3) CMD: min -52.9015 5.1304 5.1304 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -52.9015 5.1304 5.1304 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -27.681 5.1304 5.1304 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 670 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -32.565 > protocols.relax.FastRelax: (3) CMD: repack -32.565 5.1304 5.1304 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -31.484 5.1304 5.1304 0.154 > protocols.relax.FastRelax: (3) CMD: min -40.7877 5.10143 5.10143 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -40.7877 5.10143 5.10143 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -31.1721 5.10143 5.10143 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 670 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -31.2111 > protocols.relax.FastRelax: (3) CMD: repack -31.2111 5.10143 5.10143 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -30.4104 5.10143 5.10143 0.31955 > protocols.relax.FastRelax: (3) CMD: min -30.5388 5.10019 5.10019 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -30.5388 5.10019 5.10019 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -15.4427 5.10019 5.10019 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 648 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -16.8515 > protocols.relax.FastRelax: (3) CMD: repack -16.8515 5.10019 5.10019 0.55 > protocols.relax.FastRelax: (3) CMD: min -25.5791 5.11715 5.11715 0.55 > protocols.relax.FastRelax: (3) MRP: 1 -25.5791 -25.5791 5.11715 5.11715 > protocols.relax.FastRelax: (3) CMD: accept_to_best -25.5791 5.11715 5.11715 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -25.5791 5.11715 5.11715 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -25.5791 5.11715 5.11715 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -46.8193 5.11715 5.11715 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 751 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -48.9901 > protocols.relax.FastRelax: (3) CMD: repack -48.9901 5.11715 5.11715 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -47.9375 5.11715 5.11715 0.02805 > protocols.relax.FastRelax: (3) CMD: min -56.883 5.23521 5.23521 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -56.883 5.23521 5.23521 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -31.4286 5.23521 5.23521 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 685 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -34.8621 > protocols.relax.FastRelax: (3) CMD: repack -34.8621 5.23521 5.23521 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -33.4544 5.23521 5.23521 0.154 > protocols.relax.FastRelax: (3) CMD: min -44.0325 5.18361 5.18361 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -44.0325 5.18361 5.18361 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -32.2382 5.18361 5.18361 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 683 rotamers at 44 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -32.2509 > protocols.relax.FastRelax: (3) CMD: repack -32.2509 5.18361 5.18361 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -31.3238 5.18361 5.18361 0.31955 > protocols.relax.FastRelax: (3) CMD: min -33.6268 5.18825 5.18825 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -33.6268 5.18825 5.18825 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -19.2056 5.18825 5.18825 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 667 rotamers at 44 positions. 1699,1731c1726,1731 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSEECRQRLEKMCKESTSEDAERMARNCES, best_energy: -48.7434 < protocols.relax.FastRelax: (3) CMD: repack -48.7434 4.95986 4.95986 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -48.2067 4.95986 4.95986 0.02805 < protocols.relax.FastRelax: (3) CMD: min -48

linux.gcc.mpi.serialization.integration.mpi.helical_bundle_predict_skipping_residues 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.helical_bundle_predict_skipping_residues」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/helical_bundle_predict_skipping_residues/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/helical_bundle_predict_skipping_residues/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/helical_bundle_predict_skipping_residues/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/helical_bundle_predict_skipping_residues/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/helical_bundle_predict_skipping_residues/output.silent and /home/benchmark/working_dir/commits:20505/helical_bundle_predict_skipping_residues/output.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/helical_bundle_predict_skipping_residues/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/helical_bundle_predict_skipping_residues/mpi_log_0.filt 56,60c56,60 < 3 3 7.69008 -55.3963 0 0 3,2,1 < 3 4 7.99508 -52.3108 0 0 3,2,1 < 3 5 9.49848 -38.2525 0 0 3,2,1 < 3 1 9.38269 -35.5474 0 0 3,2,1 < 3 2 6.18607 -34.3943 0 0 3,2,1 --- > 3 3 10.235 -50.8201 0 0 3,2,1 > 3 2 7.62562 -47.8375 0 0 3,2,1 > 3 1 9.31538 -44.1326 0 0 3,2,1 > 3 4 9.62536 -37.5497 0 0 3,2,1 > 3 5 8.67875 12.4034 0 0 3,2,1 63c63 < PNear: 2.41064e-76 --- > PNear: 4.63172e-103 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/helical_bundle_predict_skipping_residues/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/helical_bundle_predict_skipping_residues/mpi_log_3.filt 1619,1621c1619,1621 < protocols.relax.FastRelax: (3) CMD: min 77.4046 4.67676 4.67676 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight 77.4046 4.67676 4.67676 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 588.418 4.67676 4.67676 0.14575 --- > protocols.relax.FastRelax: (3) CMD: min 79.5857 4.81497 4.81497 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight 79.5857 4.81497 4.81497 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 610.865 4.81497 4.81497 0.14575 1623c1623 < core.pack.pack_rotamers: (3) built 677 rotamers at 46 positions. --- > core.pack.pack_rotamers: (3) built 684 rotamers at 46 positions. 1625,1630c1625,1639 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: 0.249908 < protocols.relax.FastRelax: (3) CMD: repack 0.249909 4.67676 4.67676 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 3.0474 4.67676 4.67676 0.154 < protocols.relax.FastRelax: (3) CMD: min -36.2779 4.63844 4.63844 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -36.2779 4.63844 4.63844 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -24.7029 4.63844 4.63844 0.30745 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -4.78386 > protocols.relax.FastRelax: (3) CMD: repack -4.78386 4.81497 4.81497 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -2.18606 4.81497 4.81497 0.154 > protocols.relax.FastRelax: (3) CMD: min -39.1892 4.7117 4.7117 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -39.1892 4.7117 4.7117 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -27.4205 4.7117 4.7117 0.30745 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 668 rotamers at 46 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -28.663 > protocols.relax.FastRelax: (3) CMD: repack -28.663 4.7117 4.7117 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -27.7177 4.7117 4.7117 0.31955 > protocols.relax.FastRelax: (3) CMD: min -28.254 4.70797 4.70797 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -28.254 4.70797 4.70797 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -11.4392 4.70797 4.70797 0.55 1632c1641 < core.pack.pack_rotamers: (3) built 674 rotamers at 46 positions. --- > core.pack.pack_rotamers: (3) built 663 rotamers at 46 positions. 1634,1659c1643,1650 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -26.2509 < protocols.relax.FastRelax: (3) CMD: repack -26.2509 4.63844 4.63844 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -25.3427 4.63844 4.63844 0.31955 < protocols.relax.FastRelax: (3) CMD: min -26.0345 4.6337 4.6337 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -26.0345 4.6337 4.6337 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -10.1773 4.6337 4.6337 0.55 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 667 rotamers at 46 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -10.1988 < protocols.relax.FastRelax: (3) CMD: repack -10.1988 4.6337 4.6337 0.55 < protocols.relax.FastRelax: (3) CMD: min -28.0365 4.90129 4.90129 0.55 < protocols.relax.FastRelax: (3) MRP: 0 -28.0365 -28.0365 4.90129 4.90129 < protocols.relax.FastRelax: (3) CMD: accept_to_best -28.0365 4.90129 4.90129 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -28.0365 4.90129 4.90129 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -28.0365 4.90129 4.90129 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -51.1018 4.90129 4.90129 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 712 rotamers at 46 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -54.3699 < protocols.relax.FastRelax: (3) CMD: repack -54.3699 4.90129 4.90129 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -53.9234 4.90129 4.90129 0.02805 < protocols.relax.FastRelax: (3) CMD: min -56.5189 4.92995 4.92995 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -56.5189 4.92995 4.92995 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -45.189 4.92995 4.92995 0.14575 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -11.4392 > protocols.relax.FastRelax: (3) CMD: repack -11.4392 4.70797 4.70797 0.55 > protocols.relax.FastRelax: (3) CMD: min -29.3167 4.75863 4.75863 0.55 > protocols.relax.FastRelax: (3) MRP: 0 -29.3167 -29.3167 4.75863 4.75863 > protocols.relax.FastRelax: (3) CMD: accept_to_best -29.3167 4.75863 4.75863 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -29.3167 4.75863 4.75863 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -29.3167 4.75863 4.75863 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -52.5924 4.75863 4.75863 0.022 1661c1652 < core.pack.pack_rotamers: (3) built 685 rotamers at 46 positions. --- > core.pack.pack_rotamers: (3) built 711 rotamers at 46 positions. 1663,1668c1654,1659 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -46.0432 < protocols.relax.FastRelax: (3) CMD: repack -46.0432 4.92995 4.92995 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -45.3159 4.92995 4.92995 0.154 < protocols.relax.FastRelax: (3) CMD: min -46.3713 4.91925 4.91925 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -46.3713 4.91925 4.91925 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -34.904 4.91925 4.91925 0.30745 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -56.1716 > protocols.relax.FastRelax: (3) CMD: repack -56.1716 4.75863 4.75863 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -55.6073 4.75863 4.75863 0.02805 > protocols.relax.FastRelax: (3) CMD: min -58.0708 4.78356 4.78356 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -58.0708 4.78356 4.78356 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -44.7444 4.78356 4.78356 0.14575 1672,1677c1663,1668 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -34.9182 < protocols.relax.FastRelax: (3) CMD: repack -34.9182 4.91925 4.91925 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -34.0166 4.91925 4.91925 0.31955 < protocols.relax.FastRelax: (3) CMD: min -38.8756 4.90749 4.90749 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -38.8756 4.90749 4.90749 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -26.1818 4.90749 4.90749 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -47.436 > protocols.relax.FastRelax: (3) CMD: repack -47.436 4.78356 4.78356 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -46.7382 4.78356 4.78356 0.154 > protocols.relax.FastRelax: (3) CMD: min -47.7073 4.7749 4.7749 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -47.7073 4.7749 4.7749 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -36.6379 4.7749 4.7749 0.30745 1679c1670 < core.pack.pack_rotamers: (3) built 663 rotamers at 46 positions. --- > core.pack.pack_rotamers: (3) built 664 rotamers at 46 positions. 1681,1715c1672,1706 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -26.1998 < protocols.relax.FastRelax: (3) CMD: repack -26.1998 4.90749 4.90749 0.55 < protocols.relax.FastRelax: (3) CMD: min -32.5347 5.15408 5.15408 0.55 < protocols.relax.FastRelax: (3) MRP: 1 -32.5347 -32.5347 5.15408 5.15408 < protocols.relax.FastRelax: (3) CMD: accept_to_best -32.5347 5.15408 5.15408 0.55 < protocols.relax.FastRelax: (3) CMD: endrepeat -32.5347 5.15408 5.15408 0.55 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -32.5347 5.15408 5.15408 0.55 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -57.2051 5.15408 5.15408 0.022 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 730 rotamers at 46 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -58.9228 < protocols.relax.FastRelax: (3) CMD: repack -58.9228 5.15408 5.15408 0.022 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -58.472 5.15408 5.15408 0.02805 < protocols.relax.FastRelax: (3) CMD: min -67.7442 5.18258 5.18258 0.02805 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -67.7442 5.18258 5.18258 0.02805 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -48.6535 5.18258 5.18258 0.14575 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 697 rotamers at 46 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -49.9465 < protocols.relax.FastRelax: (3) CMD: repack -49.9465 5.18258 5.18258 0.14575 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -48.7257 5.18258 5.18258 0.154 < protocols.relax.FastRelax: (3) CMD: min -55.3292 5.13416 5.13416 0.154 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -55.3292 5.13416 5.13416 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -43.0294 5.13416 5.13416 0.30745 < core.pack.task: (3) Packer task: initialize from command line() < core.pack.pack_rotamers: (3) built 682 rotamers at 46 positions. < core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -43.0512 < protocols.relax.FastRelax: (3) CMD: repack -43.0512 5.13416 5.13416 0.30745 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -42.1051 5.13416 5.13416 0.31955 < protocols.relax.FastRelax: (3) CMD: min -42.7207 5.12363 5.12363 0.31955 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -42.7207 5.12363 5.12363 0.31955 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -25.6772 5.12363 5.12363 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -35.6596 > protocols.relax.FastRelax: (3) CMD: repack -35.6596 4.7749 4.7749 0.30745 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -34.8213 4.7749 4.7749 0.31955 > protocols.relax.FastRelax: (3) CMD: min -39.8028 4.76473 4.76473 0.31955 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -39.8028 4.76473 4.76473 0.31955 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -27.4287 4.76473 4.76473 0.55 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 656 rotamers at 46 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -27.4292 > protocols.relax.FastRelax: (3) CMD: repack -27.4291 4.76473 4.76473 0.55 > protocols.relax.FastRelax: (3) CMD: min -40.7405 5.03133 5.03133 0.55 > protocols.relax.FastRelax: (3) MRP: 1 -40.7405 -40.7405 5.03133 5.03133 > protocols.relax.FastRelax: (3) CMD: accept_to_best -40.7405 5.03133 5.03133 0.55 > protocols.relax.FastRelax: (3) CMD: endrepeat -40.7405 5.03133 5.03133 0.55 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -40.7405 5.03133 5.03133 0.55 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -65.4406 5.03133 5.03133 0.022 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 715 rotamers at 46 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -68.9092 > protocols.relax.FastRelax: (3) CMD: repack -68.9092 5.03133 5.03133 0.022 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -68.411 5.03133 5.03133 0.02805 > protocols.relax.FastRelax: (3) CMD: min -71.2125 5.07216 5.07216 0.02805 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -71.2125 5.07216 5.07216 0.02805 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -59.3116 5.07216 5.07216 0.14575 > core.pack.task: (3) Packer task: initialize from command line() > core.pack.pack_rotamers: (3) built 681 rotamers at 46 positions. > core.pack.interaction_graph.interaction_graph_factory: (3) Instantiating DensePDInteractionGraph > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: APCEDLKERLKKLGMSGGEECRQRLEKMCKEGTSEDAERMARNCES, best_energy: -61.1564 > protocols.relax.FastRelax: (3) CMD: repack -61.1564 5.07216 5.07216 0.14575 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -60.5072 5.07216 5.07216 0.154 > protocols.relax.FastRelax: (3) CMD: min -61.3004 5.06082 5.06082 0.154 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -61.3004 5.06082 5.06082 0.154 > protocols.

linux.gcc.mpi.serialization.integration.mpi.mpi_simple_cycpep_predict 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.mpi_simple_cycpep_predict」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict/mpi_log_2.filt and /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict/mpi_log_2.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict/out.silent and /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict/out.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict/mpi_log_0.filt 16,18c16,18 < 2 3 1.21035 0.000000 -1.41184 3 0 950.543 445.632 504.91 0.468819 0.531181 2,1 < 2 1 1.90494 2.065007 1.82757 1 0 1017.39 486.667 530.725 0.478348 0.521652 2,1 < 2 2 1.61611 2.114251 2.20531 2 0 964.975 466.058 498.916 0.482975 0.517025 2,1 --- > 2 2 0.163047 0.000000 -8.4513 4 0 892.878 368.056 524.822 0.412213 0.587787 2,1 > 2 3 1.11117 1.070084 -3.20228 5 0 957.088 406.76 550.328 0.424997 0.575003 2,1 > 2 1 1.90388 1.943159 1.81866 1 0 1017.74 485.992 531.752 0.477519 0.522481 2,1 21c21 < PNear: 0.00267584 --- > PNear: 0.894429 23,24c23,24 < Keq: 0.00268302 < -kB*T*ln(Keq): 5.92081 --- > Keq: 8.47234 > -kB*T*ln(Keq): -2.13681 28c28 < PNearLowest: 0.938045 --- > PNearLowest: 0.994794 30,31c30,31 < KeqLowest: 15.1409 < -kB*T*ln(KeqLowest): -2.7174 --- > KeqLowest: 191.088 > -kB*T*ln(KeqLowest): -5.25273 34,38c34,38 < BoltzAvg(SASA): 953.364 < BoltzAvg(PolarSASA): 447.655 < BoltzAvg(ApolarSASA): 505.708 < BoltzAvg(PolarSASAFract): 0.469526 < BoltzAvg(ApolarSASAFract): 0.530474 --- > BoltzAvg(SASA): 893.218 > BoltzAvg(PolarSASA): 368.262 > BoltzAvg(ApolarSASA): 524.956 > BoltzAvg(PolarSASAFract): 0.412282 > BoltzAvg(ApolarSASAFract): 0.587718 42,43c42,43 < 2 3 1.21035 -1.41184 3 0 2,1 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 2 1 1.90494 1.82757 1 0 2,1 --- > 2 2 0.163047 -8.4513 4 0 2,1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 2 3 1.11117 -3.20228 5 0 2,1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict/mpi_log_2.filt /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict/mpi_log_2.filt 36,42c36,42 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-176.024 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-173.581 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=173.786 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-179.994 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=173.538 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-175.203 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=177.705 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-176.023 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-173.504 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=173.807 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-179.992 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=173.572 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-175.249 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=177.776 44,46c44,46 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 1.90494 1.82757 1 0 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 3. New list is: LYS, DTHR, DASP, ASP, DGLN, DLYS, ALA < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence LYS DTHR DASP ASP DGLN DLYS ALA. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 1.90388 1.81866 1 0 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 5. New list is: DASP, ASP, DGLN, DLYS, ALA, LYS, DTHR > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DASP ASP DGLN DLYS ALA LYS DTHR. 66,72c66,72 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=173.247 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-175.191 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=179.907 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=176.763 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=177.369 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-173.814 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=-179.17 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=169.016 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=179.571 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=-179.046 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-176.866 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=-179.954 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=179.069 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=-173.962 74c74 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 2 1.61611 2.20531 2 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 2 0.163047 -8.4513 4 0 85,86c85,86 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 0. New list is: DGLN, DLYS, ALA, LYS, DTHR, DASP, ASP < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DGLN DLYS ALA LYS DTHR DASP ASP. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 3. New list is: LYS, DTHR, DASP, ASP, DGLN, DLYS, ALA > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence LYS DTHR DASP ASP DGLN DLYS ALA. 100,102c100,116 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Closure failed. Continuing to next job. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 1. New list is: DLYS, ALA, LYS, DTHR, DASP, ASP, DGLN < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DLYS ALA LYS DTHR DASP ASP DGLN. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Closure successful. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Setting up terminal bond between residue 1, atom N and residue 7, atom C . > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Setting up terminal bond between residue 1, atom N and residue 7, atom C . > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=171.875 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-170.11 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=-179.94 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=170.282 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=172.711 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-174.948 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=179.857 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Result RMSD Energy Hbonds CisPepBonds > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 1.11117 -3.20228 5 0 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 3. New list is: LYS, DTHR, DASP, ASP, DGLN, DLYS, ALA > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence LYS DTHR DASP ASP DGLN DLYS ALA. 116,130c130 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Closure successful. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Setting up terminal bond between residue 1, atom N and residue 7, atom C . < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Setting up terminal bond between residue 1, atom N and residue 7, atom C . < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-179.947 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=172.696 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=-177.262 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-174.143 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=177.97 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=175.434 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=-176.802 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Result RMSD Energy Hbonds CisPepBonds < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 2 1.21035 -1.41184 3 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Closure failed. 136,138c136,138 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.015e-07 to best structure for job 3 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.06501 to best structure for job 1 on node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.11425 to best structure for job 2 on node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 2.20733e-07 to best structure for job 2 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.07008 to best structure for job 3 on node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Computed RMSD of 1.94316 to best structure for job 1 on node 2. 140c140 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Worker process 2 received requests for the following job(s): 2-3, 2-1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Worker process 2 received requests for the following job(s): 2-2, 2-3. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict/out.silent /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict/out.silent 4,5c4,5 < SCORE: -1.412 -17.388 2.132 18.349 0.043 1.596 -1.442 -3.770 0.000 -2.409 0.000 0.000 0.000 0.000 0.092 8.108 -1.111 0.000 -4.695 -0.917 1.210 3.000 0.000 result_proc0002_0004 < ANNOTATED_SEQUENCE: Q[DGLN:protein_cutpoint_lower]K[DLYS:protein_cutpoint_upper]AKT[DTHR]D[DASP]D result_proc0002_0004 --- > SCORE: -8.451 -21.601 2.367 24.531 0.049 2.577 -0.114 -11.268 0.000 -3.788 0.000 -0.521 -2.466 0.000 0.173 6.943 -2.142 0.000 -4.695 1.503 0.163 4.000 0.000 result_proc0002_0002 > ANNOTATED_SEQUENCE: Q[DGLN]K[DLYS]AKT[DTHR:protein_cutpoint_lower]D[DASP:protein_cutpoint_upper]D result_proc0002_0002 7,13c7,13 < Ly91FAhBip9jlpAKwtklCAxtlR67IQZIwUOyL/YWxk8bnwNIwprkm+gosl/7HuoIwF9kE+KtQy6DSILHwmjly/ygmN4TT2sGwQiOPA99G7+rdMjJwlZpjAREEg+bJMmJwbidoAFEHc+rJBoFwLwIoAVYoNAcW0sCwF09sANDGd27GBIEwvtXMAxeld/Tj4JJwMyVIAt19u27xFwEwqB+JApVwT/b36lLw+98LAtu9WAMeaYIwkrXlAl7PZ6b4fkKwhRWnAFUSEAsTKtKwRqRwA9ISptTKmfAwDbDtAJSV08TY3nGw result_proc0002_0004 < LSdNE+CZoy6DXILHwWIjy/e3KR4jYYsGw4CoBA3/Yp8TVEXBw6cnCAbzav/TXldAwGFvL/QyCl8L0xNIwhqEFA3zWS9jc/pJwTgFAAXJH45jDzZMwEUyMAzQXy9jxUlOwrUtHAjINA7zkmqQw9f7TAbAxH+jykvRwgA4c+IPui+DXQiGwXt84/iS8t9r6A3Gwd2BBATs6w/DmbsJwtMSWAbUk+8jolVJw8ECEA7g7R9bTRbMwTzQc/+FY06jPd0MwU89IADrtAAEmkkOwdO2dAPllU9DfjMOw6mmLAThlv8bNurQwxkUt/aYB47Tdi3QwyOHQAn6Yn8THwoSw6ZNQArc0CAUZ6vRwSp4hAf2Pz9jA9kRw result_proc0002_0004 < LKwnHA7oSE6rBZq7vDdhNATJkC3zoVzbvbAL2/OZKI9z1gEyP6t28/+MrB/Dl5x8PoYlUAPKUS+Ls0yyPBlGIAjTId+rzE79v8n1aALbMM9DoFygv6D8YAzD7c97jdi9PQzLhAvTkL/LLAcjPjphHAfgfu/rrxPzP result_proc0002_0004 < L5w78+e13K8TzwwhP+f4N/sskL+Dxul0PVkMg/QxEgAUHvSpP8s27/ATZMBk4oP1PPni9/M5z94DHHgwP/DF6/whbZ+LZpQ5PMuSQAR12DA89Z40P9MwOAJ/6bBMpDl7PLAggAxa9JC8/3f4PL4+v+GJKL0LwtuyvLbxC/QgeS+j0Z5+PBO+AAxe3o1DRnrwvKOLNAt/7o8D9Yw2Pc8D4/s7QN+7//9AQwPQa/crRY/74uz0P4qPRAViVLAM1D5ovyl3eA5vLJ/brJN5P2MkOAxzNVB8+/HCQxgx//klq6B8gLI5PPiYfA1CzmCMA0D8PT5kgAZXyNCc83EXPvrbnABtq4B8xd36P result_proc0002_0004 < LdBlj+U8/6AUt/zzvnDeC/MiZGCk5fH7vzORr/EzaACkx7pCw0lP1/w5z4AU5oNEwbknR/G82dCEGfv9v32Iv/quTHC0jvADwu2H1/qPpgCkZievvKy38+K71VAUH0n4vgvyj/8RWaC0EtVzvjtUD/CUF+CE3yRAwB329/GVdeB01dfBwjtVJAjCVxC015vzvu8Xk/+DGyCU4eppP4Ro8/asgAC0LRggv result_proc0002_0004 < LAjM2/Ie7jC0cUPFw1CJIAh2viCEIUCJw9D49/sdrDCksRFLwxX2O/8S1DCkvgnLw9h3JAt3bPDEDVRKwwD5WAtcRuD0+IkIwlZIgAhOQgD0IFSFw99VXAhZxJEEi4MJwZCLs/0keADkJb0DwroJYAVc2XCEsAgIwHyxz/oitcDUuCjKw/jSRApjINDEUTPMw result_proc0002_0004 < LrqxMA94FSBkoNOMwsQ1FA5UVPAEZLEOwlfcAA1IB09DGElMwGTLv/ce9RyDyCvNw0FKXA57S7/T3BFQwJDEbAVxXJBkAXARwMdzLAJ91xB0lLZRwhfomANjAaBkESURwPugcAx//XBUfPzLwtj4u/sqSlAUAvFPwe/DjAVCcb/zd2JPwfhjSApL+M+jwmrQw result_proc0002_0004 --- > LTaL4/ko0P6T/wLLwlmCq/o4Ti97G1qJwR/R078Ida8bfcNIwOsms+CKtm+Lv6nEwnVtk/oS8FA8nMhLwDNpGAtarfAM2E/MwM5SYA9pb7Asa7FLw47rVAxAI4BMfAjJwM4MlAxfFPAcP8MLw/Fco/wPpI8DR83Mw2oJBAZKNP+LKOLIwn+yw+wzYw/bVlANwARsT/oM28AsV7WKwTeZMA5+RS/rP5IOwoiBDANp+UBcVTUOwg6TrAtNceAc4BAKwE56lAVqp8+bFEfMw result_proc0002_0002 > LrzPN/i/AZ7Do4GJwhNNBAHYro8Tz7NIwT/1BAnJlI+D7TkCwEJO3/KeeLAkXRJBw9L4LA3fod/DIW8Jw/SthAzf17/z69TJwR6kmA/ez/AERVMLwZqUyAjDRPBUSpjKwIcM3AfhzHC0idYMwoRMl+mEdH+T0McKwScMKAnUTK6rzHbIwJOqKAbT65+DB6CMwWWeDA/EbrAUxMsJwadgiA/blUAkdGhGwWrFmADe6D+jyZgJwTD4lAnjYpAkuFQNwt0PiAzaE8BUyjALwhHGzA3f2lBU3WgIw2wu2ADqXTAUAcvKwO/9+Aj8/LCEdX5LwYAq2Afev6BUelSOwEWRzAzC6jCkF4MMw result_proc0002_0002 > LEfaJA3Wbk4TyNW+vdgvKA/xuX7z08jrvUuwp/Si0E9jRgylPQlmm/u4w5+jrb45PZTLUAvbvH9rK0mrPsEYOArpb78rXUmAwogNVAz52j+z2jflvaLEVA3z9R8rrmc7PwBGiAriD797naVKv4jDKAnZTT/rrumkP result_proc0002_0002 > LZvVg+qaNX6j0cLuv4thj/QkuJ8j5O8GPv8pu/EDQBAkDaPVvIrjFAVdZfAkz9gyPd8sBAZVIM67ViC1vqkWAAJ+wj/r8Spxv+9ORA1WygA8C7V7v/x4OAhErACMxWS6v9omeAVvDYCcXuhAwdsRz+mCn85rdlQ6vmG+l/M7Nl5TFuc4PgeN+/Enva2LW5/+vJ88RARPTq0T1nMxvXVsCARjcAAMzRhuPBRIh/I2jIAcUzY2vqMtPAZnJPAsjD4BwGojgAZyNOAshbl4vanPRAZC9JCca/xnvZyk9/gcHKC8piq8vgVhcAlx53CM6MEAwmWXcAN8IQCc89ZEwXYzmAZCCQCM/k0+v result_proc0002_0002 > Le7FQ/o7AwAkMQh2vPG7g/AUUFCEn774vS67s/I5POC07ERCwgxUJApVhOCEnFsDwEujy+gIjVCkUlmFwSEhH/AqgeCErNoJwDXOO+iCDhCUuLhzvGVtq/6SsTCk68r7vgSa7+Sl4cCEQMT0PHJWP7wMEUAU8Ma7vJN/7/gjYOCUgsrvvqJb38wvcCDUcgR3vfSis/ebCqB0SXm7vNjSq/+HtwCkn/P4PFWK0+oNXnC0Hl

linux.gcc.mpi.serialization.integration.mpi.mpi_simple_cycpep_predict_4level 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.mpi_simple_cycpep_predict_4level」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_4level/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_1.filt and /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_4level/mpi_log_1.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_2.filt and /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_4level/mpi_log_2.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_4level/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/out.silent and /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_4level/out.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_4level/mpi_log_0.filt 7c7 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 5 job(s), the last from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 4 job(s), the last from node 1. 10,11c10,11 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 5 RMSD-to-best summaries from node 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 5 RMSD-to-best summaries from nodes below. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 4 RMSD-to-best summaries from node 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 4 RMSD-to-best summaries from nodes below. 13,14c13,14 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 5 SASA summaries from nodes below. < Summary for 5 job(s) returning results: --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 4 SASA summaries from nodes below. > Summary for 4 job(s) returning results: 16,21c16,20 < 3 5 1.95574 0.000000 -3.50746 2 0 921.873 446.995 474.877 0.484878 0.515122 3,2,1 < 3 4 1.46761 2.001903 -2.29302 3 0 935.195 430.354 504.841 0.460176 0.539824 3,2,1 < 3 2 0.873576 1.906618 3.01178 3 1 902.863 370.375 532.488 0.410223 0.589777 3,2,1 < 3 1 2.35461 1.943761 3.67052 1 0 986.84 447.617 539.223 0.453586 0.546414 3,2,1 < 3 3 1.83753 1.091665 4.60637 2 0 920.283 455.511 464.772 0.494968 0.505032 3,2,1 < End summary for 5 job(s) returning results. --- > 3 4 1.74598 0.000000 -0.278329 1 0 967.536 470.951 496.586 0.486752 0.513248 3,2,1 > 3 3 2.14094 1.596614 0.792001 1 0 1057.8 507.054 550.749 0.479346 0.520654 3,2,1 > 3 1 2.35332 1.769001 3.66249 1 0 992.491 448.091 544.399 0.451482 0.548518 3,2,1 > 3 2 2.10383 1.867981 4.24769 1 0 993.261 474.168 519.093 0.477385 0.522615 3,2,1 > End summary for 4 job(s) returning results. 23c22 < PNear: 9.52043e-05 --- > PNear: 3.68908e-06 25,26c24,25 < Keq: 9.52134e-05 < -kB*T*ln(Keq): 9.25939 --- > Keq: 3.6891e-06 > -kB*T*ln(Keq): 12.5101 30c29 < PNearLowest: 0.76958 --- > PNearLowest: 0.728261 32,33c31,32 < KeqLowest: 3.3399 < -kB*T*ln(KeqLowest): -1.20594 --- > KeqLowest: 2.68 > -kB*T*ln(KeqLowest): -0.985818 36,40c35,39 < BoltzAvg(SASA): 924.933 < BoltzAvg(PolarSASA): 443.109 < BoltzAvg(ApolarSASA): 481.824 < BoltzAvg(PolarSASAFract): 0.479133 < BoltzAvg(ApolarSASAFract): 0.520867 --- > BoltzAvg(SASA): 990.633 > BoltzAvg(PolarSASA): 479.668 > BoltzAvg(ApolarSASA): 510.965 > BoltzAvg(PolarSASAFract): 0.48433 > BoltzAvg(ApolarSASAFract): 0.51567 44,46c43,44 < 3 5 1.95574 -3.50746 2 0 3,2,1 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 3 4 1.46761 -2.29302 3 0 3,2,1 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 3 2 0.873576 3.01178 3 1 3,2,1 --- > 3 4 1.74598 -0.278329 1 0 3,2,1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 3 3 2.14094 0.792001 1 0 3,2,1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_1.filt /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_4level/mpi_log_1.filt 9c9 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 5 job(s), the last from node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 4 job(s), the last from node 2. 12,13c12,13 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 5 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 5 RMSD-to-best summaries to node 0. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 4 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 4 RMSD-to-best summaries to node 0. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_2.filt /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_4level/mpi_log_2.filt 9c9 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Intermediate manager process 2 has received a total of 1 summary set(s) for a total of 5 job(s), the last from node 3. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Intermediate manager process 2 has received a total of 1 summary set(s) for a total of 4 job(s), the last from node 3. 12,13c12,13 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Received 5 RMSD-to-best summaries from node 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 5 RMSD-to-best summaries to node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Received 4 RMSD-to-best summaries from node 3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Sent 4 RMSD-to-best summaries to node 1. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_4level/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_4level/mpi_log_3.filt 35,40c35,40 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=-175.535 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=173.536 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=177.051 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=-179.311 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=171.032 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=-176.324 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=-175.527 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=173.566 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=177.064 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=-179.405 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=170.891 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=-176.511 43,45c43,45 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 2.35461 3.67052 1 0 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 6. New list is: ASP, DGLN, DLYS, ALA, LYS, DTHR, DASP < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Building sequence ASP DGLN DLYS ALA LYS DTHR DASP. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 2.35332 3.66249 1 0 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 1. New list is: DLYS, ALA, LYS, DTHR, DASP, ASP, DGLN > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Building sequence DLYS ALA LYS DTHR DASP ASP DGLN. 65,71c65,71 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=172.783 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=-179.104 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=-164.66 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=176.59 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=-176.577 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=179.921 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=-179.944 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=179.344 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=176.309 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=-172.913 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=175.869 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=-173.721 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=174.261 73c73 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 0.873576 3.01178 3 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 2.10383 4.24769 1 0 121,127c121,127 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=179.978 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=170.34 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=169.845 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=174.029 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=-179.519 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=175.178 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=166.18 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=179.937 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=175.142 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=177.548 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=178.145 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=178.449 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=-178.139 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=-179.844 129c129 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 1.83753 4.60637 2 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 2.14094 0.792001 1 0 140,141c140,141 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 1. New list is: DLYS, ALA, LYS, DTHR, DASP, ASP, DGLN < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Building sequence DLYS ALA LYS DTHR DASP ASP DGLN. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 3. New list is: LYS, DTHR, DASP, ASP, DGLN, DLYS, ALA > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Building sequence LYS DTHR DASP ASP DGLN DLYS ALA. 161,167c161,167 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=-179.955 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=176.08 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=-177.503 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=-174.496 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=175.216 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=172.967 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=-179.523 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=174.319 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=-176.846 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=-179.947 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=178.656 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=172.11 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=-174.505 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=179.462 169,171c169,171 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 1.46761 -2.29302 3 0 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 2. New list is: ALA, LYS, DTHR, DASP, ASP, DGLN, DLYS < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Building sequence ALA LYS DTHR DASP ASP DGLN DLYS. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 1.74598 -0.278329 1 0 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 4. New list is: DTHR, DASP, ASP, DGLN, DLYS, ALA, LYS > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Building sequence DTHR DASP ASP DGLN DLYS ALA LYS. 185,200c185,186 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure successful. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Setting up terminal bond between residue 1, atom N and residue 7, atom C . < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Setting up terminal bond between residue 1, atom N and residue 7, atom C . < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega1=177.939 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega2=-179.937 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega3=179.66 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega4=172.641 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega5=172.388 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega6=169.176 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) omega7=170.853 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Result RMSD Energy Hbonds CisPepBonds < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 1.95574 -3.50746 2 0 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2 jobs attempted. 2 jobs returned solutions. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure failed. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 2

linux.gcc.mpi.serialization.integration.mpi.mpi_simple_cycpep_predict_computing_pnear_to_all 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.mpi_simple_cycpep_predict_computing_pnear_to_all」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_1.filt and /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_1.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_2.filt and /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_2.filt differ Files /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/out.silent and /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_computing_pnear_to_all/out.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_0.filt 7c7 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 6 job(s), the last from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 7 job(s), the last from node 1. 11c11 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 6 RMSD-to-best summaries from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. 13c13 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 6 RMSD-to-best summaries from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. 15c15 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 6 RMSD-to-best summaries from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. 17c17 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 6 RMSD-to-best summaries from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. 19c19 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 6 RMSD-to-best summaries from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. 21c21,23 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 6 RMSD-to-best summaries from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Director node (0) is requesting PNear data for sample 7. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Received 7 RMSD-to-best summaries from node 1. 24,25c26,27 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 6 SASA summaries from nodes below. < Summary for 6 job(s) returning results: --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 7 SASA summaries from nodes below. > Summary for 7 job(s) returning results: 27,33c29,36 < 2 3 1.21035 -1.41184 3 0 950.543 445.632 504.91 0.468819 0.531181 2,1 < 2 5 1.86615 -1.06248 3 0 1007.23 491.664 515.562 0.488137 0.511863 2,1 < 2 1 1.90494 1.82757 1 0 1017.39 486.667 530.725 0.478348 0.521652 2,1 < 2 2 1.61611 2.20531 2 0 964.975 466.058 498.916 0.482975 0.517025 2,1 < 2 6 1.78547 3.74915 1 1 1028.2 512.612 515.585 0.498554 0.501446 2,1 < 2 4 2.52143 5.1233 2 0 1062.81 474.369 588.442 0.446335 0.553665 2,1 < End summary for 6 job(s) returning results. --- > 2 2 0.163047 -8.4513 4 0 892.878 368.056 524.822 0.412213 0.587787 2,1 > 2 3 1.11117 -3.20228 5 0 957.088 406.76 550.328 0.424997 0.575003 2,1 > 2 7 0.712149 -2.62798 3 0 921.359 402.777 518.582 0.437155 0.562845 2,1 > 2 1 1.90388 1.81866 1 0 1017.74 485.992 531.752 0.477519 0.522481 2,1 > 2 6 1.58122 2.28543 3 1 1029.19 516.978 512.208 0.502317 0.497683 2,1 > 2 4 1.93199 4.60104 1 1 1015.39 480.25 535.136 0.472973 0.527027 2,1 > 2 5 2.08704 6.05696 1 1 1023.95 460.819 563.132 0.45004 0.54996 2,1 > End summary for 7 job(s) returning results. 35c38 < Summary of PNear values for lowest-energy 6 job(s) returning results: --- > Summary of PNear values for lowest-energy 7 job(s) returning results: 37,43c40,47 < 2 3 0.562325 1.2848 -0.250603 < 2 5 0.397515 0.659791 0.415832 < 2 1 0.0399559 0.0416188 3.1792 < 2 2 0.0153715 0.0156115 4.15975 < 2 6 0.00560035 0.0056319 5.17931 < 2 4 0.000817354 0.000818022 7.10862 < End summary of PNear values for lowest-energy 6 job(s) returning results. --- > 2 2 0.992145 126.307 -4.83872 > 2 3 0.0153924 0.015633 4.15837 > 2 7 0.102105 0.113716 2.17405 > 2 1 3.66953e-05 3.66967e-05 10.2128 > 2 6 6.42309e-05 6.4235e-05 9.65296 > 2 4 3.51502e-05 3.51514e-05 10.2558 > 2 5 5.47247e-07 5.47248e-07 14.4184 > End summary of PNear values for lowest-energy 7 job(s) returning results. 45c49 < PNear: 0.0016044 --- > PNear: 0.89217 47,48c51,52 < Keq: 0.00160697 < -kB*T*ln(Keq): 6.4334 --- > Keq: 8.27384 > -kB*T*ln(Keq): -2.1131 51,55c55,59 < BoltzAvg(SASA): 975.051 < BoltzAvg(PolarSASA): 465.337 < BoltzAvg(ApolarSASA): 509.715 < BoltzAvg(PolarSASAFract): 0.47698 < BoltzAvg(ApolarSASAFract): 0.52302 --- > BoltzAvg(SASA): 893.304 > BoltzAvg(PolarSASA): 368.367 > BoltzAvg(ApolarSASA): 524.937 > BoltzAvg(PolarSASAFract): 0.412357 > BoltzAvg(ApolarSASAFract): 0.587643 59,61c63,66 < 2 3 1.21035 -1.41184 3 0 2,1 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 2 5 1.86615 -1.06248 3 0 2,1 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 2 1 1.90494 1.82757 1 0 2,1 --- > 2 2 0.163047 -8.4513 4 0 2,1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 2 3 1.11117 -3.20228 5 0 2,1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 2 7 0.712149 -2.62798 3 0 2,1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) 2 1 1.90388 1.81866 1 0 2,1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_1.filt /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_1.filt 9c9 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 6 job(s), the last from node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 7 job(s), the last from node 2. 12,23c12,25 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 6 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 6 RMSD-to-best summaries to node 0. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 6 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 6 RMSD-to-best summaries to node 0. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 6 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 6 RMSD-to-best summaries to node 0. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 6 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 6 RMSD-to-best summaries to node 0. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 6 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 6 RMSD-to-best summaries to node 0. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 6 RMSD-to-best summaries from node 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 6 RMSD-to-best summaries to node 0. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Received 7 RMSD-to-best summaries from node 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Sent 7 RMSD-to-best summaries to node 0. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_2.filt /home/benchmark/working_dir/commits:20505/mpi_simple_cycpep_predict_computing_pnear_to_all/mpi_log_2.filt 36,42c36,42 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-176.024 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-173.581 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=173.786 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-179.994 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=173.538 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-175.203 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=177.705 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=-176.023 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-173.504 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=173.807 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-179.992 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=173.572 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-175.249 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=177.776 44,46c44,46 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 1.90494 1.82757 1 0 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 3. New list is: LYS, DTHR, DASP, ASP, DGLN, DLYS, ALA < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence LYS DTHR DASP ASP DGLN DLYS ALA. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 1 1.90388 1.81866 1 0 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 5. New list is: DASP, ASP, DGLN, DLYS, ALA, LYS, DTHR > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DASP ASP DGLN DLYS ALA LYS DTHR. 66,72c66,72 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=173.247 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-175.191 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=179.907 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=176.763 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=177.369 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=-173.814 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=-179.17 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=169.016 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=179.571 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=-179.046 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega4=-176.866 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega5=-179.954 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega6=179.069 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega7=-173.962 74c74 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 2 1.61611 2.20531 2 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) 2 0.163047 -8.4513 4 0 85,86c85,86 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 0. New list is: DGLN, DLYS, ALA, LYS, DTHR, DASP, ASP < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DGLN DLYS ALA LYS DTHR DASP ASP. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 3. New list is: LYS, DTHR, DASP, ASP, DGLN, DLYS, ALA > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence LYS DTHR DASP ASP DGLN DLYS ALA. 100,102c100,116 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Closure failed. Continuing to next job. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Circularly shifted residue list by 1. New list is: DLYS, ALA, LYS, DTHR, DASP, ASP, DGLN < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Building sequence DLYS ALA LYS DTHR DASP ASP DGLN. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Closure successful. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Setting up terminal bond between residue 1, atom N and residue 7, atom C . > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Applying final FastRelax, round 3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) Setting up terminal bond between residue 1, atom N and residue 7, atom C . > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega1=171.875 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega2=-170.11 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (2) omega3=-179.94 > prot

linux.gcc.mpi.serialization.integration.mpi.replica_docking 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.replica_docking」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/replica_docking/log and /home/benchmark/working_dir/commits:20505/replica_docking/log differ Files /home/benchmark/working_dir/main:62109/replica_docking/logs/log_0 and /home/benchmark/working_dir/commits:20505/replica_docking/logs/log_0 differ Files /home/benchmark/working_dir/main:62109/replica_docking/logs/log_1 and /home/benchmark/working_dir/commits:20505/replica_docking/logs/log_1 differ Files /home/benchmark/working_dir/main:62109/replica_docking/logs/log_2 and /home/benchmark/working_dir/commits:20505/replica_docking/logs/log_2 differ Files /home/benchmark/working_dir/main:62109/replica_docking/logs/log_3 and /home/benchmark/working_dir/commits:20505/replica_docking/logs/log_3 differ Files /home/benchmark/working_dir/main:62109/replica_docking/.test_got_timeout_kill.log and /home/benchmark/working_dir/commits:20505/replica_docking/.test_got_timeout_kill.log differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/replica_docking/log /home/benchmark/working_dir/commits:20505/replica_docking/log 14c14 < mpirun noticed that process rank 5 with PID 49183 on node hojo-2 exited on signal 9 (Killed). --- > mpirun noticed that process rank 5 with PID 2427005 on node nobu-2 exited on signal 9 (Killed). diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/replica_docking/logs/log_0 /home/benchmark/working_dir/commits:20505/replica_docking/logs/log_0 0a1,73 > core.init: (0) Rosetta version: 2024.19.post.dev+106.HEAD.64f3264 64f326474187d4daffbcfab3a8c1a6712edf5a43 git@github.com:RosettaCommons/rosetta.git 2024-09-24T12:09:50 > core.init: (0) Rosetta extras: [mpi, serialization] > core.init: (0) command: ROSETTA/source/bin/rosetta_scripts.mpiserialization.linuxgccrelease_debug -in:path:database_cache_dir ROSETTA/.database-binaries/mpiserialization.linuxgccrelease_debug @flags_replica_dock -database ROSETTA/database -testing:INTEGRATION_TEST > basic.random.init_random_generator: (0) Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111111 > basic.random.init_random_generator: (0) RandomGenerator:init: Normal mode, seed=1111111 RG_type=mt19937 > protocols.jd2.PDBJobInputter: (0) Instantiate PDBJobInputter > protocols.jd2.PDBJobInputter: (0) PDBJobInputter::fill_jobs > protocols.jd2.PDBJobInputter: (0) pushed P.pdb nstruct indices 1 - 4 > core.chemical.GlobalResidueTypeSet: (0) Finished initializing fa_standard residue type set. Created 985 residue types > core.chemical.GlobalResidueTypeSet: (0) Total time to initialize 6.75 seconds. > core.import_pose.import_pose: (0) File 'native.pdb' automatically determined to be of type PDB > core.conformation.Conformation: (0) [ WARNING ] missing heavyatom: CE on residue LYS 31 > core.conformation.Conformation: (0) [ WARNING ] missing heavyatom: NZ on residue LYS 31 > core.conformation.Conformation: (0) [ WARNING ] missing heavyatom: OXT on residue HIS:CtermProteinFull 166 > core.conformation.Conformation: (0) [ WARNING ] missing heavyatom: OXT on residue ARG:CtermProteinFull 253 > core.pack.pack_missing_sidechains: (0) packing residue number 31 because of missing atom number 8 atom name CE > core.pack.task: (0) Packer task: initialize from command line() > core.scoring.ScoreFunctionFactory: (0) SCOREFUNCTION: ref2015 > core.scoring.etable: (0) Starting energy table calculation > core.scoring.etable: (0) smooth_etable: changing atr/rep split to bottom of energy well > core.scoring.etable: (0) smooth_etable: spline smoothing lj etables (maxdis = 6) > core.scoring.etable: (0) smooth_etable: spline smoothing solvation etables (max_dis = 6) > core.scoring.etable: (0) Finished calculating energy tables. > basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv > basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv > basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv > basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv > basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv > basic.io.database: (0) Database file opened: scoring/score_functions/rama/fd/all.ramaProb > basic.io.database: (0) Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb > basic.io.database: (0) Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt > basic.io.database: (0) Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt > basic.io.database: (0) Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt > basic.io.database: (0) Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt > basic.io.database: (0) Database file opened: scoring/score_functions/P_AA_pp/P_AA > basic.io.database: (0) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n > core.scoring.P_AA: (0) shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated. > basic.io.database: (0) Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop > basic.io.database: (0) Database file opened: scoring/score_functions/elec_cp_reps.dat > core.scoring.elec.util: (0) Read 40 countpair representative atoms > core.pack.dunbrack.RotamerLibrary: (0) shapovalov_lib_fixes_enable option is true. > core.pack.dunbrack.RotamerLibrary: (0) Reading Dunbrack Libraries > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/cys.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/ile.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/lys.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/leu.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/met.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/pro.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/arg.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/ser.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/thr.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/val.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbdep.densities.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbind.chi2.Definitions.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbdep.densities.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbind.chi3.Definitions.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbdep.densities.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbind.chi2.Definitions.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbdep.densities.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbind.chi2.Definitions.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbdep.densities.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbind.chi2.Definitions.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbdep.densities.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbind.chi3.Definitions.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbdep.densities.lib > core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbind.chi2.Definitions.lib diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/replica_docking/logs/log_1 /home/benchmark/working_dir/commits:20505/replica_docking/logs/log_1 0a1,73 > core.init: (1) Rosetta version: 2024.19.post.dev+106.HEAD.64f3264 64f326474187d4daffbcfab3a8c1a6712edf5a43 git@github.com:RosettaCommons/rosetta.git 2024-09-24T12:09:50 > core.init: (1) Rosetta extras: [mpi, serialization] > core.init: (1) command: ROSETTA/source/bin/rosetta_scripts.mpiserialization.linuxgccrelease_debug -in:path:database_cache_dir ROSETTA/.database-binaries/mpiserialization.linuxgccrelease_debug @flags_replica_dock -database ROSETTA/database -testing:INTEGRATION_TEST > basic.random.init_random_generator: (1) Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111112 > basic.random.init_random_generator: (1) RandomGenerator:init: Normal mode, seed=1111112 RG_type=mt19937 > protocols.jd2.PDBJobInputter: (1) Instantiate PDBJobInputter > protocols.jd2.PDBJobInputter: (1) PDBJobInputter::fill_jobs > protocols.jd2.PDBJobInputter: (1) pushed P.pdb nstruct indices 1 - 4 > core.chemical.GlobalResidueTypeSet: (1) Finished initializing fa_standard residue type set. Created 985 residue types > core.chemical.GlobalResidueTypeSet: (1) Total time to initialize 6.75 seconds. > core.import_pose.import_pose: (1) File 'native.pdb' automatically determined to be of type PDB > core.conformation.Conformation: (1) [ WARNING ] missing heavyatom: CE on residue LYS 31 > core.conformation.Conformation: (1) [ WARNING ] missing heavyatom: NZ on residue LYS 31 > core.conformation.Conformation: (1) [ WARNING ] missing heavyatom: OXT on residue HIS:CtermProteinFull 166 > core.conformation.Conformation: (1) [ WARNING ] missing heavyatom: OXT on residue ARG:CtermProteinFull 253 > core.pack.pack_missing_sidechains: (1) packing residue number 31 because of missing atom number 8 atom name CE > core.pack.task: (1) Packer task: initialize from command line() > core.scoring.ScoreFunctionFactory: (1) SCOREFUNCTION: ref2015 > core.scoring.etable: (1) Starting energy table calculation > core.scoring.etable: (1) smooth_etable: changing atr/rep split to bottom of energy well > core.scoring.etable: (1) smooth_etable: spline smoothing lj etables (maxdis = 6) > core.scoring.etable: (1) smooth_etable: spline smoothing solvation etables (max_dis = 6) > core.scoring.etable: (1) Finished calculating energy tables. > basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv > basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv > basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv > basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv > basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv > basic.io.database: (1) Database file opened: scoring/score_functions/rama/fd/all.ramaProb > basic.io.database: (1) Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb > basic.io.database: (1) Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt > basic.io.database: (1) Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt > basic.io.database: (1) Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt > basic.io.database: (1) Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt > basic.io.database: (1) Database file opened: scoring/score_functions/P_AA_pp/P_AA > basic.io.database: (1) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n > core.scoring.P_AA: (1) shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated. > basic.io.database: (1) Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop > basic.io.database: (1) Database file opened: scoring/score_functions/elec_cp_reps.dat > core.scoring.elec.util: (1) Read 40 countpair representative atoms > core.pack.dunbrack.RotamerLibrary: (1) shapovalov_lib_fixes_enable option is true. > core.pack.dunbrack.RotamerLibrary: (1) Reading Dunbrack Libraries > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/cys.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/ile.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/lys.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/leu.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/met.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/pro.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/arg.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/ser.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/thr.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/val.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbdep.densities.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbind.chi2.Definitions.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbdep.densities.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbind.chi3.Definitions.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbdep.rotamers.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbdep.densities.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbind.chi2.Definitions.lib > core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbdep.rotamers

linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_beta_thioether_lariat 「click to collapse/expand」

Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_beta_thioether_lariat/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_beta_thioether_lariat/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_beta_thioether_lariat/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_beta_thioether_lariat/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_beta_thioether_lariat/out_mpi.silent and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_beta_thioether_lariat/out_mpi.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_beta_thioether_lariat/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_beta_thioether_lariat/mpi_log_0.filt 9,10c9,10 < 3 1 0 16.9919 1 1 3,2,1 < 3 2 0 265.211 1 1 3,2,1 --- > 3 1 0 16.9901 1 1 3,2,1 > 3 2 0 272.039 2 1 3,2,1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_beta_thioether_lariat/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_beta_thioether_lariat/mpi_log_3.filt 48c48 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 16.9919 1 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 16.9901 1 1 79c79 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 265.211 1 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 272.039 2 1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_beta_thioether_lariat/out_mpi.silent /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_beta_thioether_lariat/out_mpi.silent 4c4 < SCORE: 16.992 -23.254 9.367 13.051 0.504 0.064 -0.346 -5.246 0.000 -1.382 0.000 0.000 0.000 0.000 4.953 4.625 0.543 0.000 9.863 4.251 .00 1.000 1.000 result_proc0003_0003 --- > SCORE: 16.990 -23.256 9.378 13.052 0.504 0.064 -0.346 -5.246 0.000 -1.382 0.000 0.000 0.000 0.000 4.945 4.623 0.543 0.000 9.863 4.249 .00 1.000 1.000 result_proc0003_0003 15,22c15,22 < Lp2M4A3MQmA0HVaRQWfhtALZPSAEKj6QQKE0lAnjEcBU0UKRQRwMYA7soPBUg/NRQTd8+AjnsS/TsK3RQRw2DBXIDz/DQqSSQ2n56Ab3fj5DTdxRQaD7tAnKy8/DyF0OQ70t1ATLAX9z7dQOQGNExAjHYOB0QKRNQG8nzAb5HS6bdhRTQB+q6AH3yjBEq5aRQHTlqAHgqz+DJRcRQ/bmABbMvA87d5mRQ06N1A/lTi4jIJ9QQXuCmAf/6R/TabKOQ1U51Ab9Oi8jvcHMQtlJzAHqvd1r23UPQ3Rs9AfQHQ+jYS7OQC5UxAfx4/A0EzILQQS74AbiAkBEKY7NQ8kMrAfLVAC0KYoNQ result_proc0003_0003 < LCxMqA3CfUCkGoTRQb6sjA7eJ7CEnsYRQMgtgAjhSLDk+v/PQ9i0NAn3A0CU0w6OQAyN+/y8ipCEIZNQQru4qAr2hZD00lLSQeLR1AXwyBDkgOWSQKjayA/1jZC0cgGTQgw6tAf427B006CSQHAyZArAD1C07e3RQhfvdATpVtD0VOCQQ6qSnArp4FDUl9mOQUL4rATk03D04noRQdrHnAnbWhDk5QJTQZ3z4Ano46C04RXRQ/nE7AfTrVDk8I5SQbCs5Aj3sLCUM1iTQ8NhsATsJhCkEh4TQ result_proc0003_0003 < Lq2tNArf/rC00vTMQlb20/CvwdCEIm7KQFEF8/O4KmBEs7hJQfNpOADvW9Ak2u4JQVmAm/uvT/CkfC4IQVEUEA/mdGD0nvgFQNDwV/iAKpDER5QKQikn5/mMMgDkO0vAQojWbAji2vCkDHQLQqDHX/qXhZCEeBaMQN0Jn+OtgzCUmNqHQLy3RAD9AXDUWnTHQ/JFKAfIonCU1TEEQ4J8A/maQAE07CyIQgLwG9utrjDEKpsLQ8A/2/uyT1DUWuTLQTL9JALh5jDEQi17PG0Te/iOmPD0rmm9PHa+u/+0n/DUk9ECQ result_proc0003_0003 < LtmlZ/+sfLBEru3HQl58j/2TPKA0mJzDQgs1i/ehDD9D9tNGQCKDB+SlK+xTGOcFQ9ONz8SgwRAEtpE/Pna8HAPZfZA0OYOBQlnRt8MXFlBkl3IIQRnzc/IPlLAktzTBQ9IkB+qNjA/j9RD5P6wdj9qqpPB0eXK7Pvd6IAfY0YBUHRH/PVq4KAH8tX/TPRF8PtbkUAnSdTAkhTLEQ result_proc0003_0003 < LnbQCAvkXT7DRlkIQgh8EAHJNy9rzrkJQNB0j/2wcv+bfmRLQpLLO/mISiA8icQLQA1kZAPumG+bxKOLQzvxfAnxzdAMH3HMQJcthA3nCWB8qXrJQzp4pAfwfZAs1n2NQd4eNAnbqN+TaIAJQRIGGADlmP/b4YvHQXIYjArZvn8LocCKQWD3XAfnlf77NiANQO9sSAbnq5A8WkRNQ4X6jALfLLCsfXUKQBvxUAv4/YBMEzfIQCRIoAvFK7Asp4dIQpfFsA790ZBs5tfOQcibwAzxd7/Lh+sMQfEUoArKtj/7wpmPQ result_proc0003_0003 < LBedD/GIcW77gqvMQWolI/MMFt8bCrWOQFg5O/YN9Z6jB4VQQ9JrB/GDyH6zdtMRQkNj0/6M1E6TwdrQQ9yl8/4axX8b8/nMQbVUd/OIwB8DD0vMQTuGE/A5OX/Lo1LPQnDiy/McLw0jgi+QQb8yW/EIho+jGA8PQzKVMAp1oJ9bt+2NQFy06/wL5q+btDCLQokD//wu6N7zVSwLQ result_proc0003_0003 < LD4hr+esQ35jP5gSQPKsu/OF8W6TdncTQ9o+CArGZF+rZygTQKJcz/eVlDA8gy5TQivyGAb7nz+DWcDTQUvP2/a5HuAUW24SQ+8cG/Ifd94TWH4SQVq/h/2GDC8jfJcUQGE7SAT7OC/TKC1TQb6fOADW/S+TXBHSQVZnj/m7jtAkW7DSQFa9i/S/G6A0asrTQTjbFA3fmfBUTrySQ result_proc0003_0003 < Lo2UXAbX0E+brJITQAx4iAfzoIAsuAdTQgOFdA79udBsMj8SQLOxRAz24gBchI8RQktngALWYPC8z3hTQP08tAPNFy/bJU2SQ5yqzAHDqQ6b76QTQIz06ATW7i5DY2yRQtb7cALk+B6rDGmSQKzrjA/SMMAMFZiUQHKetArST7/7/ywRQDAdzAfYhqAsEMMTQ result_proc0003_0003 --- > Lp2M4A3MQmA0HVaRQWfhtALZPSAEKj6QQKE0lAnjEcBU0UKRQZuMYAH9oPBE39NRQTd8+AjnsS/TsK3RQRw2DBXIDz/DQqSSQ2n56Ab3fj5DTdxRQaD7tAnKy8/DyF0OQ2bt1An90W9j4eQOQ2tExALDXOBU+KRNQo8nzALGIS6bfhRTQB+q6AH3yjBEq5aRQHTlqAHgqz+DJRcRQ+bmABPLvA8Lb5mRQj6N1AnwTi4jKJ9QQJoCmA/xAS/zKaKOQF841AX5Di8TrdHMQT1IzA/oqf1rP4UPQ29r9Ajy7P+zkU7OQnZVxAnt3/AEyzILQS574APl8jB0Ga7NQGXNrA7sVAC0JYoNQ result_proc0003_0003 > LGyMqAv5eUCU9pTRQT8sjArSJ7CU/wYRQthtgALxTLDU26/PQDg0NAH4C0CEQ56OQvjN+/OqkpCkwcNQQjx4qA/zgZDEGsLSQBXR1AbKyBDETQWSQyAbyArVhZCk7cGTQ4R7tAvw17BU4zCSQFEyZADXC1Ck+i3RQKpvdAb5WtDE6VCQQ9qSnA3a6FDkgHnOQG/3rArh03D0MxoRQt3HnAzeThDEtYJTQG+z4Abh66CUUSXRQKxE7Av8pVDk3M5SQSns5AHBqLCkIviTQQthsA78EhCkGf4TQ result_proc0003_0003 > LeztNAbfCsCEg3TMQhX20/GG0dC0ms7KQcHF8/qmSmBkf+hJQVVpOAHte9A05u4JQzbAm/WxX/C03L4IQ16TEAPRiGDUXChFQa/vV/ymNpDkIGRKQQJn5/OoRgDUjLwAQZfWbA/C6vCU/OQLQo9GX/qJkZCkmHaMQV1In+2FlzC0afqHQJr3RALTFXDk07THQ49EKAnAtnCkThEEQr87A/GdSAEk0RyIQ4EyG9q4ujDEB2sLQQE/2/+BX1Dkt7TLQz68JArX/jDUVQ27P+ySe/2/rPDU0Rn9P3D+u/6Dt/DkOaFCQ result_proc0003_0003 > LQelZ/qAoLBkO03HQDk8j/CpXKAEmOzDQT10i/ehkD9z8xNGQN16A+6wwQyDEQcFQsl/y8ix5RAUeyE/PEU8HAT5mZAUPeOBQGdPt80GOlBEj6IIQNL0c/QGvLAEb3TBQEygB+i31A/jyZD5P+Qgj9a/yPBkphK7PFj6IAj67YB0keH/P8d4KA398X/TfcF8PSSkUA3HkTAU9ZLEQ result_proc0003_0003 > LG4PCAHtTU7D/nkIQY17EALswx9rsskJQvhyj/K1Ov+bmmRLQ4cHO/y5KiAcNaQLQKHkZADkaG+LvLOLQ42wfALHudAsp2HMQ25shAbi8VBMVWrJQBP4pALLbZAM8m2NQ4UeNAH54N+j/MAJQWZFGAfPXP/r1YvHQRzXjAzYXn8rHeCKQHZ2XADU4e7bzjANQRCsSAjwk5Ac1jRNQox5jA7lILCcJVUKQHowUA7B5YBMDyfIQnvHoAXLE7AsX3dIQ6AFsAjrwZBc/rfOQqIbwAHAV7/rr9sMQ1tToAXkkj/7fpmPQ result_proc0003_0003 > LpIbD/SynV7LusvMQgYnI/cpss87suWOQGV6O/oyoa6zg6VQQY6qB/yPYI6DEvMRQV6i0/yAdF6TlerQQa/m8/ogWX87kFoMQCGSd/mIKC8z22vMQqOIE/4HDX/b/3LPQKRiy/wcW10Dbl+QQt5zW/Egso+DeG8PQ5pVMA1LPJ9LaF3NQ5S26/Uyqq+LYICLQd5E//cqyO7jRZwLQ result_proc0003_0003 > LTMjr++RQ45D96gSQK1su/eGRX6TbocTQ3t+CAbFVF+LPygTQw3bz/WQjDAcRx5TQAPzGA3/rz+TLdDTQqMR2/amKuA0T44SQ7EcG/oZi+4TrJ4SQkwAi/qANC8j1KcUQkt7SADCRC/zhC1TQMMgOAXiDT+zvBHSQOkoj/+fntA0t9DSQwN/i/KzJ6A04urTQ6acFAfuofBUMtySQ result_proc0003_0003 > Lx8UXAnjxE+rwJITQlt4iATPoIAcPAdTQI8EdAPqtdBMih8SQ+/wRAbU2gBcnG8RQtdngA//XPCsc1hTQfz8tAf9Ey/rPU2SQfzqzAvmpQ6LA7QTQIz06Afh7i5DZ2yRQDs7cAnVyB6rvGmSQ6srjA3nMMAMlYiUQSNetA7fT7/rFzwRQq8czAnVhqAcqMMTQ result_proc0003_0003 26c26 < SCORE: 265.211 -27.030 255.269 7.560 0.224 0.101 -0.597 -3.705 0.000 -0.410 -0.300 0.000 0.000 0.000 0.973 13.282 0.004 0.000 9.863 9.978 .00 1.000 1.000 result_proc0003_0005 --- > SCORE: 272.039 -29.247 258.390 12.027 0.201 0.200 -0.334 -3.575 0.000 -0.838 0.000 0.000 0.000 0.000 0.690 15.169 -0.438 0.000 9.863 9.929 .00 2.000 1.000 result_proc0003_0005 37,44c37,44 < LRxvPB99Kn4zDFEPw7xmOBB/se+TyoLNwf2lQBNRFlA0IUPOwL4GOBhtfnBEU3xNwXcnMB9TNu97PQRPwTSfNB1eMo/r7DbQwXZ8HBZ5Y/97bWWNwwdQRB9hVz9TikdKwTgtSB9TxF87vJPKw2CMWBpulp/T5mHKwjaZIB9cXG6TpotKwdW/SBdC+v5zuTIQwBXSKBphMm+z5c5Mw7XGEBFAgg9bjaUOwYhBIBJBz6/LMKWMwJxZOBhWZV+jiz3IwRFlUB9Hk1876UTIwmmGPBFvVQ+bmnaKw+yfVBJbiJ9LL90LwMmCYBBFzO/jIPMIwgECZBZWXO/Dj0tLwj1BVB96/3AEaDNKw result_proc0003_0005 < L3TFVBh6NjAUDKqPwj4lXBRGWxBkdkUQwDfMaBtJqRCk+6XOwAjoWBZiW2C0H5cNwoQ2TB9/LKDUMyDPwLkhbBJyRPBEkZXRw/7SbBR3Bf/zYZORwDXRWBhSjp+zDw8RwpvBSBFMqV/DD9+QwAd2UB1hvLCEryuQw2J/dBJgLfCkPPCPwt14aB5Mc5BUesqMwdFjfB1aApBURLLRwwpVaBlOAlB0hnXSw//NbBZQD7+TFWKQwk25eBxmik+zXHqRwyRaWBZtv55zirJSwNl6VBVnMy/TZy4Sw result_proc0003_0005 < LtbvWB5SP/CkOn2Kwi4JTBlYyeDkX6qJwh0aOBd8RJDUWbTIwV2qOBxFh+CEXI4DwZOJWB5JB7DUYkRHwr1xaBVFQJE0+1/Iw6wUSB9LXNEkTwrEwHxZeBdXAVEkEhJGwJCYZB9WvvCEmsqJwlunRBpKPzD07mQLw6G5XBFf5mDUDJLEwxjMZB1RyUEEhUbKwyyMdBBVp7DUuXHKwfOgUBV4NXEENr0BwCSKPBFOsEEkVfnCwAdkQBZHkXEkpSwHwF3ygBBx6cEkl9LIwXpEgBBjpJEk5QVDwYEGcBte7gEEA09Dw result_proc0003_0005 < LIpGKB9VGDDU1kzJwA7rFBpNNoCUnW6Iwt8gCBBv39Ck3ZYFw0pN7A9VZADUopnFwSs9HBZjh7BUdBvHwSH+BBt0lfCUT7SLwoL4JBNhZRDkbSnLwwjyKB12RDCEIMkEw0lzEBhN1SBUPhMGwVHCKB9ahZBE+zcJw+IIEBdl4QCU3f6MwSvc9AZ3bKCUuuuKw37RABZeQ9CE7fCMw result_proc0003_0005 < LvPWFB1XeNDEdFVBwVGyCBRFWfD0AxL5v4D5CBREu/C0XZGDPbQN/Ax3KCDk4Ky2PVGkFBRJhEEE+Avzv+gQFBh33WEEUe/9vQ4dIBhS4pEU6d45v133+AdZ9cE0FH0/vjbYJBBV8MD08ViBwa0P9AxBWmD0H6G7vyhxJBVKJBE0vD0wv7AyDB5iIKEUh8nkPuGCHBtPxREkjRxCwJAQIBZ/62EEVAq/vNSoMBBTKlEU+Gz4vkr0GBJ1LvEUEcCpvbAc+AB6/pEEKBzCwmbU7AJjFiEENfR4vAfg6AFjKPEEWScBw result_proc0003_0005 < LoPsGB1fBiC0b0IQvdhQHBlLBCCEmBK4P+HDNBJeAnBk1TQ5Pdp+OBh4n6AkhYKev3OgPB5IyiBkAuS5vVLpDBh3G3AE/r0zPzMQJBlBnhCUMKA1vt3DGBRTRQCEj0v/PEpoPB128OC0r2s6PWWbNBVG55AkJq2/P5iHEB1g+HAEGUR8PtS++AFcBMBEiWMzP48vEB9rbaAEa+slv result_proc0003_0005 < L3+BQBpkFP/D5+v6u9tWRBdPYO9TdMX5vgmYMB18VT4TLqA+vA36LBBjcK+LPVE+vJggVBBH765bFU50vWRsaBZhpP7DYPxrvMR6PBtJUX+zZKf2PnPBTBp/U7+j6Ie/vWoTWBxf/f9bLgY9vAEAUB5ZWc9biIJDP5pRaBNvpZ9TkajwPXK3bBpTSP+jauN4vcZrdBlfpK6blKEpv result_proc0003_0005 < LRNrIBtOK29Db78AwyisDBp7Cq7jDKODw0vVABtMzA67f5/9vBieCBJwxT9LfK10vhsG3ApUmB67iOs+vap1EB5cUC8bsi0HwAzSIBtwT55j0btKwkf9HBtAw69bc7UNwSkUJB5Mq6/jd42AwUoaBBRXim+z6qxEwj1QHBpkYr+LyXXGwChFBBZ23s9L3OpIw result_proc0003_0005 --- > LRxvPB99Kn4zDFEPw7xmOBB/se+TyoLNwf2lQBNRFlA0IUPOwvkAVBVrPrAkr0TPwXcnMB9TNu97PQRPwTSfNB1eMo/r7DbQwXZ8HBZ5Y/97bWWNwwdQRB9hVz9TikdKw1ctSBRDyF87+IPKwBFMWBlWkp/DunHKwfCZIBFdUH6zN2tKwdW/SBdC+v5zuTIQwBXSKBphMm+z5c5MwZWGEBZl7g9rccUOw2xBIB1Zt6/rx/VMwEyZOB5qaV+zez3Iw2BlUBl2k18bKUTIwohGPB5EVQ+7PmaKwdufVBlwlJ9bb80LwXoCYBdtxO/D9PMIwxFCZBBqUO/jb1tLwO6BVBRZ/3AUxENKw result_proc0003_0005 > LEUTNBVdJnBkjt7NwSebOB9+JdCEgRIPwoIXMBhWcfCkbu/QwIuWQBtNBMCUaR+Rwn4MVBFBRQC0hNzRwVYrLBleB8CkHZMNwg0tHBNa9gCkzHsLwlY+KB9zu6BEyndKw+e+LBpqvBBkMwwMwMSXSB5nFiCkF7MPwVEtLBR/oADEiLSRwy7nIBpcwNCUWYFRw71vJBxlFWD0ZFUOwQRqOBRv2KD0Zk3Lwf4nEBxr1UCkMwDNwhgpFBNxU0C096KKwCXnIBZr1aB0hW5IwEZsOBN6lKC08GoJw result_proc0003_0005 > LesSOBBEYtBktAATwDIrRBV0zFB0S7AUwS2NRBJTQJ/jEe+TwPt6MBhifD+zJYuTwI1MQBFxTmBUa6aVw+AvQBZ/5jCEnWfVwtOtTBh247Ak+MeWw3XbOBJyU3CkO6vWwyxRKBdOOoB0XJFTw0V0VB9KAXB0G8zTw+yBMBRmSXB0gVoVwvX8UBpOvsCE/cbVw+ytOBxcRyCEBloUwXSnSB5OnTB0gadXwsgITB5ppt/Tf+bWwBD5XBNp1KB0yfRWwqI9OBBw8ZDkZXuWwENLKBFQ0vCEF9zWwDBfQBNDRqCUehnXw result_proc0003_0005 > LEIrVBJIwk9jXhOUw603VBhkdP8bTWIUwkFHRBNomZ+rpV1UwLgpPBZitVAc3yiUwewzVBpQE19LGdpSwvGEbBdB8G+r9MyUwWsAZBtC7y+D4bfUwi+USBNoxP8736JSw4KxVB1/RCA82QiSwxPTZBJXhQ8rc1ISw+1feBFt+Z8LEiUUw/gcbBZpVIAswSsUw0NJbBFJUL9bzk1Vw result_proc0003_0005 > LJEtOB9vsr7b8jwVw3CEKB1kyy9r3pfWwK8aFBZKHg+rTjjVwHShCBZKkOAcCnvVwiOUIBlJ7s2jWoiXwghMMBRLiY6DpuWYweQVKBJ5m9+jbhxYwhDfMBhQU49reixYwpFIQB9bft7DUS9Vw6BLLBtUUv/rcXAXwOBxHBZepF+Dm6CXwk/eEBZz9n5byS9XwsTKQBdEoI8TOUKYwduFNBlmCR/TvGMZwGKPKBVDNYA0dtdYwC1VGB9WAk+Dv99YwktPPBFRiR9LqHMZwLehIBdNWa+7OA+Yw8T5NBBbzl/LWvdYw result_proc0003_0005 > LqOvEB9whQ77OxiUwoedABVHLW8LsYkTwEN05AVMBm8jGefTw97Z+ANPHX/Tf4hSwUgQDB5DQUAEfW0SwQXyCBFkMn9r9HMSw8xPHBFMyB7zHlcUwcB87Ap1R2+rFh4Tw8IK5AdxgO+jvSeUwuB4xAh2k/6zdwITwOzE/Al2VE+bhXeRwMmIFBdr+o/bWkPSwspVFBt4on272d3Rw result_proc0003_0005 > LH3K5Ah52r/j5mYRwEHH9ApY3uAUbvVQw/om8A58GEAUjc8NwZL68ARCCvAk7Z4Lwkow2Apa+ACUeNVQw4J/qAxavwB0R9FQwZCSyAxmEr+Tu+ORwjBvCBJNX9A0sXjQw4rq3AFfCRCEWtSRwThu5AFDuVCUWyEPw1lqpA5xudBkg/ROwmIQoAlPwBBE6EtQwRagmA5W1SC019PQw result_proc0003_0005 > LY907AlxM98jxP8NwIWc6Adqx1xLGEeLwM+cvAJmUv5jEFQKwq11qAttkn+DE7kKw+6LrAhIyf87OK9IwTPiBBR+h56TpBcJwViSIB1Jj75zFptKw7B+HBZOj79bdhUNwENN8AVJE35DiksPwI8L7ARp3J+LkH7LwDs4ABVxVx+D6gwIwPdOBBFOdT67rDZHw result_proc0003_0005

linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_bondangle_bondlength 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_bondangle_bondlength」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_bondangle_bondlength/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_bondangle_bondlength/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_bondangle_bondlength/out_mpi.silent and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_bondangle_bondlength/out_mpi.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_bondangle_bondlength/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_bondangle_bondlength/mpi_log_0.filt 10,18c10,18 < 3 3 0 0.000000 4.94522 3 1 3,2,1 < 3 5 0 3.231866 7.39042 2 0 3,2,1 < 3 2 0 3.185536 8.98846 2 0 3,2,1 < 3 4 0 5.230399 19.5504 3 0 3,2,1 < 3 7 0 3.689123 24.4207 2 0 3,2,1 < 3 1 0 4.359104 40.6454 2 4 3,2,1 < 3 8 0 3.613740 40.9884 4 1 3,2,1 < 3 6 0 4.660348 45.0765 4 5 3,2,1 < 3 9 0 4.120934 45.6203 3 1 3,2,1 --- > 3 2 0 0.000000 -4.68207 1 2 3,2,1 > 3 4 0 3.022560 6.52068 2 1 3,2,1 > 3 8 0 5.472681 7.41164 3 2 3,2,1 > 3 9 0 4.658949 13.6945 3 1 3,2,1 > 3 5 0 4.165136 17.841 5 1 3,2,1 > 3 6 0 4.037803 25.2746 2 1 3,2,1 > 3 1 0 3.451329 39.0958 2 4 3,2,1 > 3 3 0 4.955642 59.6472 3 4 3,2,1 > 3 7 0 5.359791 64.8617 4 2 3,2,1 21c21 < PNearLowest: 0.905592 --- > PNearLowest: 0.999981 23,24c23,24 < KeqLowest: 9.5923 < -kB*T*ln(KeqLowest): -2.26096 --- > KeqLowest: 51970.1 > -kB*T*ln(KeqLowest): -10.8584 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_bondangle_bondlength/out_mpi.silent /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_bondangle_bondlength/out_mpi.silent 4,5c4,5 < SCORE: 4.945 -30.241 9.853 14.423 0.066 0.456 -1.405 3.570 6.888 -2.237 0.000 0.000 0.000 0.000 0.597 5.101 -5.180 0.000 3.388 -0.334 3.000 1.000 result_proc0003_0003 < ANNOTATED_SEQUENCE: PAAPAAPAA[DALA]P[DPRO]A[DALA]A[DALA]P[DPRO]A[DALA]A[DALA]P[DPRO] result_proc0003_0003 --- > SCORE: -4.682 -32.357 8.216 17.936 0.041 0.488 -1.454 5.032 1.315 -1.428 0.000 0.000 0.000 0.000 0.636 1.822 -6.346 0.000 3.388 -1.969 1.000 2.000 result_proc0003_0002 > ANNOTATED_SEQUENCE: PAAPAAPAA[DALA]P[DPRO]A[DALA]A[DALA]P[DPRO]A[DALA]A[DALA]P[DPRO] result_proc0003_0002 7,22c7,22 < LNb48/K74dD0+VXKw1CnNA75F/CUUJWJwv5o7/C15gCUh4NFw8cvJ/Ce6aCUfnqFwV1kSA3g3lCEBi5Lw9erOAnSFFDUFZGOwbB02/qIGeDU9fMNwcD47/iyueDESwQKwOE3bA7DDQDUT8mIwtYLIAfbiJCEqkBMwyrlhAvkNaCkxP2LwT97LAvwE0C0js/PwOu2cAP0ZZDkdSZOwy/AT/GGPNDEKszNwWH13/ukY+DEPbEOw result_proc0003_0003 < LPc2MATbEVC0INEBwPRnIAzFT/BEaFA6v6LYAAbNAgA0xJk7v6ReFAfzms/jPuwBwVZDcALoI6BE4Hzqv41PcAfSjeCUxdYBwSCV3/y9nPCEwbezvEOGYA/YfUB0PcvwPXdYgAL8NdCE0GsQvoRnkAD4zbBUbU61v result_proc0003_0003 < Lepgl/6XrGAEXirpvWBuF/SlI89DRADbvbG/2/motI4L4LFVvyJcNAPOKv3zgwesPNC2V+Y0wF+jC+p5PRNwf/upbxAk7X5tPjYhv90I8K9jbfo2vB2yM/YsQw2jQAB7Pchsd/4pHq/Dp6D5P6As6+SNph+DqvJAQ result_proc0003_0003 < LNjpn/u9t1+bOidxvHayBADTduAsEqvyv/I6IA7zdNBsoyIxPxngYAzRV9BsQ6SyP/sam/ucgyB8MBW6vEtrN+EWeSBs8xO4vFAUo9UuNm/7dJw5vzyJn/SUX9+bL2pxv02xPALnbiAc9qf6vaLps/aOlYC8CrS1vclat/OLD5BMpvdBwB8V/+U8MkBMkduEvJoFZ/kCewBMZ8x9vd8Ta/ccDn+L6nIzvX26z9QXFI/7tFLBw result_proc0003_0003 < LHUU9/qnW0A84J59PDFwDA/pzSBsa2TEQNMJCAT49ZC84apEQyUSOA7AiuCclKjHQldAaAXXR1AcTu8FQg66k/+XsKAMeM68P4rJw/GVz3A8syEHQr3kdA3pgMBsFy+IQ5noaAz8Gf/b/f6FQbZ4iA/CiOBMaiJDQ result_proc0003_0003 < LxvKm/e/IsCsnXqBQFXrf/aMmbDs4xkBQblRD/4IttDs+Bx+PEY6o/42tWDcl6R5PXY5AAXq0wDcWNO8PvmGG/6IcZCcdVy+P1Q6i/i/anDscKqFQNsw8/q1qJEsLML8PjptQAnYxpDsplc/PIVj//eRmkDMK1KwP result_proc0003_0003 < LLsai/Q01KE8UneAQAbtJA5sHREs/6y7PuD0KAFubUEM6pIMPzO/PANb6lEMAGKuvDSUPAhgDmEMMswAQ+Wd0/cunwE8xNpBQSBLQ/EVCfEsM3uDQfl4k/o1gMEsvScAQpZKVAlZaEE8AR39PJZLaA14pvEMC9h8P7F1XAdBniEMu6gEQYImo/0Qi3E8Qjw7PLm33/U279EcRWfEQk9jm+qSYjEsJ/FDQMvHd/oZgcEc0VAIQ result_proc0003_0003 < L1I8FAZTpDE8Pzdxv4QaFAZHzCE8MyZBwdY6YA5xm7DsC1WDwEObdAd5TBEM/MCIwpUcp/MfplDMfyUDwaAQCAJjusD8PSQYvTmIBA1LrSEsB52CwQDLp/c29kDcwxrHwy85n+QHKvDc7a3BwacOx/EE8FDcugzBw result_proc0003_0003 < LA23iAZCopDM9f3+vZ0etAR5vYDcGC2Aw7M5sAFvHyC8UoXEwsNJlAdU3ZCcUJLEw5RyzAZH/NDs6UQ3v33JgA9iWoDsW5h2vjUwxAdcaxDM9SEDwS0n7A5yhBDsbT25vuFy0AFmxqDcbJOrvXqevA5q91Cc9VEsv result_proc0003_0003 < L4SY0A14GuCMJsMHw5fk2A1ey8BM7OZJwHlx4ARzPyAMUvJHwxEy3AxRbQ/7oXYIwRORABRZgFCcXuHLweR1ABdq80C8j6PLwtXN/Ax62DDc27cIwdiI1AtaUtC8nKrHw9BjvARRVvBccspKwEzvDBpPirB80wMKwOCa/ARGrtBMabGNwET5EBBmo9CsTU5LwyzH8A9jPCDcVevMwZF3CBFtK6C81ENGwyNP+AF81mD87XcIw result_proc0003_0003 < Lmck7ART/JBMSnkCwY6V+AZePIAMfGw9vUmhzAV+Tp+bsKj5vMnnuAloDa/7fClkvIbOCBZvntAssPowv0+87At92DCMF4YBw+yuBBhjv0+LD17AwraQDBtgM1/LF7GiPs43FBBbOMB8TeW2vhve/ApNzcB8DYhQv result_proc0003_0003 < Lr0mwANa7G6rq1Q/vvoknAZVoB8j3di8vGFVlAR8Rg/TIQsAwrk1aAFOly/TFWkDw6CxaA5MNZ6r2cO+vp3+0AB270tb5W3Cw8hMoApfKG9Ty0NwvTZ8MA1kWe6T9fF8v9XKbARuUY+LiBN5vB5kZAliMY8Li1SDw result_proc0003_0003 < Lo+6sApLovA03z3+v7gLsA5v9BCEHNaBwcHUkA5SlcC085Q9vpqKnARUU7C0R8m3vvai3A1aATCUQQiAwFvV7A10P4BE1Sp2vOMp2AF53fA0m1T4vCC+sA1dyuAka0z+v9tLqAVN9AC0zVsFwCaW3A9Y91CUdeBAwBtf8AtZZMCU40EEwBDo4A5P7MCkehdCvUWECBVVt3BEkrJ2vO9q0AhIPHAEGayRvs7Z8A5BFr/zxwV8v result_proc0003_0003 < LGypWAVa7RCknHh+vYozHABwkiCUCiP5vC2g8/oWSHD0Xao/vZOXb/EGkbD0T3L8v1u7t/QINBC09k70vqWSTA9V81BkJa+BwCpjOARTRvC01j1mv0IpI/gELQCUUmBnv4Zg8/UIpPBkJfxlvH+0g/IfZnBUG8y9v result_proc0003_0003 < L/0nHAxeQODUuDREwdwv+/M90xDku5MIwsbH7/8cHPEUoI8Fw5JRKAZ1FVEUvLfCwwxEOAxz2zDkJ9nKwberUAZd28CUL2OFwdvfd/IIzoDUjH3IwL5QIARwEGEU1oAMwK5ROAZQ1UDk4tnLwwTNeAZKC8DkNy+Jw result_proc0003_0003 < L8LWP/sJHbEUfsEIwcTzO+23hRE04XOKwsjZn/GN8/D0XhnIwCVat/u7RBEEQTYEwYPrZ/SWPlE0xBWLwrwYg/649zEEEoAJwmgTn+0owxEkX6KHw91mL/oYXbE0FIJIwbSI3+oSyJEUEexLwIaK8/aJngEEVgKMwTR9o+ivHsEU8IANwNyt7/+SXvEETxfHwG8em/KFaEFUuksJwtO/J+4Vo0EUag3Cwuf5g/oUO9E0rRbIw result_proc0003_0003 --- > LuUdABt+GpC0FH/UwXW++AVfAfCUurTWwm0V1ABd1JCkVtWWwnBcxAV1B0BEcqVVwujIEBpO1BCUEytWwQSoFBBnvWBEHGdVwpDnEBxJ1LC0ayXUwGfjABpU/nCEm8+Uwnq9+AlKj8CEl95WwYo1CB9GfXBEihgXwGNbHB5xEVCEdRIXw7XNDBFLecAEwTVVwkd1JBB6OCBU4ufVwTTEDBFxH3BEtceTwYBWIBZ18cCkfIJUw result_proc0003_0002 > LQEQxABbAJCUdqiXw3q3nAxFbiB0Jg1Xw/cvpApkfFB0LalYw3aUvAFjbvBEeM+Ywrs9bAtYHNCE12qXwVt00A15vZCE3/IYwZ3ZnAN0JtAk2mIXwXLtNA9G10BE2h5XwnKEbAxUnYCkxFpWw4y7cAJXToC0bILYw result_proc0003_0002 > L2HRlAR1+3/DNXxYw5T9lApSpg+jEpcZw+WzYAhmmR4jdIiZwQk7PAlbUw67KmCZwEt3wA9pza8zJYiZwD+ygA1WI2+T/DcYweA5kA9b4AA0iU1ZwuePxAReh03T0kBawmtF3ARN4u+j2VgZwf0GyAJaaM476WJZw result_proc0003_0002 > LP/KSA9qNP6LFyMawVt7DAxrDx+7vGUawMFvLAJSDpAct/Hawb+3+/smVlBMW0BawCidAA1Qdt+7HoEbwJaZUA1Gu88rZyVbw8EZaABgkZ6TU/0awzSPSAJSDS67V1MawxVqp/YcGa+7v9CawRJn7/o9CYAcvoQbwUCDk/wiEG9LFUMbwPGbgANcdA/ru+ZbwkfYRAZ2/a6rwj1bwET8lA5gBX7z9Z0awVOiSABbZg+DY28aw result_proc0003_0002 > LNFogA9dwqAcqVEawNwXkAZD87BcWm3Zwbi7gApJmEC8riHZwdi5eAxZbLBsI0vYwmTbwAhL7ACcds9ZwLA2kAlRKq/ryoKawhIhgAph/VCMrpLawUsMzARMdgCs3tzZw6QYyA1K93BsFVfaw7IW0AFc+QBstbqZw result_proc0003_0002 > LjUhfAxqtoCsmQ6YwYe2ZAFhzxCcOyJYwnbAmARhFfCM12cXwDgQvA9ONeCcG03Xwil2WAdckhDckcCYwchngAhdjBDMmpOZwxQ6KAdoZhCclYCYwsV9SAJEUnD8n3BXw3Z3JApZRtD8xkWYw4IyiAxfXyD8pjKYw result_proc0003_0002 > L8cvjApY/PC8apQWw/AnSA9MDOCMB3uVwnFsDAZv6JBsxGaWw18ZMABxrIA89O1WwXNHYAF07HC8bGQUwqEMmA9BldBMQNRUwlBTsAJkRACshhcVwCytjARJ2QCcSPUWwpegKANcysCM6G6Vw1G/KA5bVuBsWUvTwgb5ZARGQnCMrwwTw6WbkAhX5YAsCkXUwx+fqA50tlB8BYUTw49ywAN2gMBMOZ7VwDovxAtlrZCMHuGVw result_proc0003_0002 > LTEZg/4IxUBsX6bWwywQ+9SAWMAs9fAXwwblW9e3BM+bhaHWwx5hd+cyUh+7fp7UwqPMw/Cpg0A8gKFXwUyPI/YTRGCMTVGWw4VOO+Uljx/LkTAYwezhDA/pXFAMBscXwDBev/27HrB8LjwXwtL05/u30JBMMrFWw result_proc0003_0002 > LTqPk+GGFK37atkWw/oxo+GhUb+DLjnVwmZ7a+esTkAUK1VWwFh9E/W/XrAEWFhXwl/py/WH8b+zPXxUwleI7+mGnw0rqOkXwABFD/8vaW+TfT9Uwzu8y/aEqGAkNtIUwT8az/6eFm6jwdJUwt7SHAH8ad+zBAbVw result_proc0003_0002 > LHANm+wGasB0hlgVwy0Gb/crHiBU+kHUwca2AAdy/zAkFEGUwuH3MAZLPyAkseEVwZ6qo/crWeC0cXpTwAKv6+0Ay6C0SphUwm1p5+A9ZkC0N+2VwB+Io+oZ+tBk3teVwA61Q+YTMEB03bcTws8oFAVd8jC0JsvTwnxvg/wH9hCkwJlSwFTUa/0/0aD0i1kUwlrPD/Wy3+C0v6GUwL6vs/oCpqCE0bYWwZHfz+Gv0vC07IdWw result_proc0003_0002 > LXYzEAFYVJAUcO+SwMe1YA5igk+zLuzSw3sBiAVA/D/DT0hRwp4SrANQOT+D1GXRwuTLTAF3ZD5bns6SwPkl0/kraNAUrSNSwzW+hANWWF/TB7mTwfkzgAtOeK97NFzSwO9HMA9EwG7rbP5Twy2vHAF8Xn77K1ISw result_proc0003_0002 > LIBaYARQPPAkNheQwCsBgA15fjAktjUOwWAMnAJ/VsB0tJqOwGoGmAV46OC0UwRQw+wXNAZE41AE5KdMwpCVJA9xajAUKFqQwV+akARmlY/DSQkNwzUbTANUIFBUo7dKwaWEDAZma7/T8xVMwmnOEABR6rB0hGONw result_proc0003_0002 > LSUKwA5DewBUsvRMwqsE4AxGHbCUpn1LwEjUzA52JFDUm84LwPMf4AlYZkDkdtpMwRVo8A9t6RCEZVDJwT717AxJDFBUbzxIwOGXxAl1ouAkEeFKwdwbwABp2vBUFPNMwOWX+AZgBZCUhtXNwlp+3ARFKjC0vaDHwLGdCBlJqdC0b26IwBIH8A9QuyAEh2TFwY5WBBN6CmAElJwJwWa3qAFz5zA0iDnIwxfyxANama/Dic5Kw result_proc0003_0002 > LKrwqA1F0HDUoMNLwxSNlAJHH3DEB/XLw3FvkABCZFEURUeOwzMOkAxA0YEU5N3OweZ4TAdAw1DE0aOKwsx9mAlTZtC0TFiKw4UBqA1/mGEkTXMKwGwsMAFHvKEEigWKwmajUAREurDUC5IIw9MPKAV4GfDkBAXLw result_proc0003_0002 > Liz9kAxc8rDkLbTQw0uRkARxJ5DUKZaRwLJotA1hTXDUcsWSwArbqAhJm3Cka19SwhWfRANU02DktP5RwbYslANmkMD0YBFQw7X1mAREQNEU6VaRwFIfQAZihBEEKd6Sw8TXHAVACFEkJePRwiIFMA9FtVDER83Rw result_proc0003_0002 > Ln5L2AlczoD0m1PSww6f+AVW0PDUZH6SwFr+7Ap2eJDEwpYUwuns1AFMahDk+89UwlFREB1LOrDU5StSwkxNDBtVgBEEqVcRwqer6AxetGEkU4fRwM2N2Ap1yoD0HlPSwTfT/ABPwwCU+oZSw5w1EB9YQAEUlmkTwi00HBR5mWDU5apSwAavFBxR5PEktHZRwCQREB5fGvD0RykQwIwg5AJI5VEEwPCSw4re3A1PyHEELceQw result_proc0003_0002 26,44c26,44 < SCORE: 7.390 -25.068 11.832 16.642 0.042 0.456 0.071 -1.942 8.759 -2.494 0.000 0.000 0.000 0.000 2.052 4.281 -7.716 0.000 3.388 -2.914 2.000 0.000 result_proc0003_0006 < ANNOTATED_SEQUENCE: PAAPAAPAA[DALA]P[DPRO]A[DALA]A[DALA]P[DPRO]A[DALA]A[DALA]P[DPRO] result_proc0003_0006 < NONCANONICAL_CONNECTION: 16 C 1 N < LRP9NBJ8Z8FU/IzSw7WOLBx+d6FkRusRw2v5FBNrO/FUgCxRwhSTEBpaNHGEGKcSw6xIOBV2HFG0U6xQwCzvTBpcJFGkLPSRwdPMTB1S8DG0TsxSwgDGOB1gL8FUpU6Sw89lLBp99pFUx8URwMzOMBxnCNGE7k1QwnO1NBBKdCG0GAePwf/wVBh9nMG0Z7/QwsyBWBFRJ9FUi90QwTGATB9s5LGkFkPTwuumWBJZu+FEFzKTw result_proc0003_0006 < LGQQDBNjo0F0vxLRw+a68AhD43FUGfJRwJ4r5A53jGG0TnkQwO56+AxEuKGkWiVPw7lU3AFzWmFkewWQwmE3EB1GMoFkDirQwX+55Adot3FUB+KSwhpvuA9xepFUQSVQwBSy4A5v6WFE+B1QwV8a6A9iGmF0LSrOw result_proc0003_0006 < LsShxAp1vKG0MIERwR6tuAtZgUGE6TlQw2EfhAFfMWGkYjrQwTTEYAZsmQGkujbRw3qj0AJ8SdGUi3VRwUtctAhYyGGUhGyRwgaBxA9b3UG0SLEPwxdOyAhsElGEua8QwbkK9AVqPcG02fORwCQeyAJB4cGkTcZSw result_proc0003_0006 < LMIDeAhrqdGkaWjPwgiNHAB/CgGEigjPwVSM//8DVjGk2jKRwen6LAJsmnG0ro9RwIraFAdXSpG0NfjNwLdOYA9p2nGkPcwLw7S8kAFuKkGEFflNw1DVeApmodG0MvkPwmFt8/wQ/YG0IQ2OwHFoFA16+wGUjvnOwo0Is/810oGEJ+eMwpDCcARSbvGUifvKwvLhUAhc/hG0qtLKw57zoARFKrGUaggOwjByqAhrcfG09CcMw result_proc0003_0006 < LkR4M/EeThGE2mcRw6sUA+k/ZiGUHr7Sw++KK9GyBuGkhHWTwy5Kl/W39xGkuoeTwzBgm/SJkcGUXkDTw2XKp9knAfGklCtQwV19V/ofxeGUUdnTwolny/u2YdG0xpEUwTf8h/yXHUGEc60SwVWb9/Ox/fG0h2WSw result_proc0003_0006 < LWcki/woxzG0qsjTwzYZg/8eUAH07sIUwJqPj+gElAHE3/ZVwwtgz9ckW4GEt1DWwVupGAlR1EH0EcTUwMsY//IZdwGkNVXTwOdi8+04KFH0xHaTwrZrFAFBANHUAkrUwhO0OAxl0EH0hyVTwHvjPA5u6/G0NnAVw result_proc0003_0006 < Lm07N+u7EKH08uyVw8V1d/WDeLHEAlGXwtDpG848eKH0vNIYwQSKn/kb/KHkGFCYwQ93x/SRwWHkkfBXwVdDx/KLXZHkyakVwkCBg+GheUHE6iEVwU9dS+yDOKHkHJzVwJja4/OhaFH0ikJXwv5Pd/6PUcHkOJoXwbsMJAXEzWHkFbcXwgyKy/SIFiHkMGbVwWWvGAnWCWHEaiEVwIbBG/wztZHkaSVVwPSkn++cWTHU40+Tw result_proc0003_0006 < LA0lB/unNJHk4XqYwxrX9+kuAJHEPsRZw0Cue/UnXUH0ClVZw6nqu+wt0bH0IAFZwLKjZ+Gj8EHEZr5Zw5f7w/upZIHkNkrYwEggp/wjlDHE62JZw2oD9+cr2EHUYXUawDQGG/ue38GkMC0Zwbq7h/GdMKHUzTBaw result_proc0003_0006 < Lrjj//0nGXHUgdoZw2I7GAt7shHkHvqZwMEaVAJ0AkH0V2HZwitGeA53ucH0i0zYwoeqRAp3yjH0RoVawdHrIAZagRHkWh3Zw2SIy/kR8mHk9snZwOkIXAZaEsHkR6Waw8IQGAN1XiHk0YvawUxSfA10ceH0sWZaw result_proc0003_0006 < LmbDZAR8PwHE009YwmZgkA1AOzHkGsXYw14WuAVIgvH0fFcYwfFPzAVBlwHkMC+YwN3clAl8b/HUF2WYwdbPWAx9nBIU0JpYwS9jRAhNi7H0l8MZwxdTZA9DRxH0rj7Yw9+MhAlhNwHkYuyXwaSbsAx7/AIE7spYwizwmANyGBI0ktrXwpw1XAtoxFIELY0YwuQvJAdAoBIkPYQYw8KfaA5F89HUFupZwHfQAA5pb7HEBXTZw result_proc0003_0006 < L+QFxA1f0rHUZZAYw9P18AJWgnHEVY/XwwTL/A17gfHkT2jYwOdKEBVCWeH0HpxYwK4XCBd9uwHkjPCYwbbGsA58JrHkkLOXwk8C+A9kQjHUUODXwDTcGBlomtH09tBYwmSyBB1VD2HkJAOXwXwuBBlQK1HkozfYw result_proc0003_0006 < Lx452Al1NaH00VyYwaMh4ANHbSHUQ7LZwjA0+Ah2TJHE3A1YwJKc+AlnTIH0r2NYwMa8tA5JROHEVadZwAXfvAZbacHkN+oYwJ1X9Ap9UVHUfemZwzBdvAV7nHHUlLzZwkn2pAZdqUHE5kuZwZd8oAZgiLH0MDDZw result_proc0003_0006 < LGwjCBZXMCHUY4SZwuN0FBllC3Gk9KGZwmBUCBVmttGkNyyYwREB7AJVCtGEc+6YwCYMIBd2RzGksxwZwXtgIBVyM9GErHLawRrUDBda6CHkOZCawHfvCB1qzBHkonTZw5q/IBht84G0BEvYw7RnFB9uHtGELJ/ZwPDIMBJmkvGETWrZwaOBJBBZJ7GkzGtaw01BMB5j8BHE/zBawk0DABxC6+GEGvTawh0qDBVdULHk+aMaw result_proc0003_0006 < L3C/EBBWVnGUy1aYwWQKCBlurdGEGaFYwGn+FBV7oUGEbEAYw6v1KBtPJWGk3xBYwaZl/ABu9gGUcB1WwFP7IBhWsoGUuOWYwGw39At8DbGUlaaYwIPp7A1gGaGkdtXWwy8w5A5AWnGEyw+WwND+CBZEzjG0dGLWw result_proc0003_0006 < Lf3/CBVD9KGEwlyXweR5FBdwn/FktSfXwaHTJBdg0AGkuMOWwIZJIB5QXHGUoRWVwq+xBBh4ztFkmhWXw1S79AtBMLGk1U1XwmohIB5997FERfKYw/K0DBBOveF0WZJXwr0B/A90ZsFEY7IYw5WI+ApqgxFEHGiWw result_proc0003_0006 < LuatNBhAU1FULm/VwpAgQB1qC3FULi6UwllhMBdNyzFE+0rTwS+dIBdoxoFkbRzTwSCkUBRZ+kFEYYHVw8T3UBBEViF0VEmWwEsTPB1VdnFUxBFXweTSNBBnB2FUgICWw+eeSB1eYDG02m5UwgVMTBJiaWFkzdmUwAKbYBJUbpFUKtqUwgxGWBly7RFU/N2WwTE6XBpDItFkJ6AXwvS8MB1bpYFkHvIXwxWiPBtSPvFEMCCYw result_proc0003_0006 --- > SCORE: 6.521 -29.111 10.341 16.672 0.033 0.327 -0.546 0.798 5.108 -2.681 0.000 0.000 0.000 0.000 1.034 8.050 -4.232 0.000 3.388 -2.660 2.000 1.000 result_proc0003_0004 > ANNOTATED_SEQUENCE: PAAPAAPAA[DALA]P[DPRO]A[DALA]A[DALA]P[DPRO]A[DALA]A[DALA]P[DPRO] result_proc0003_0004 > NONCANONICAL_CONNECTION: 16 C 1 N > LY0aFAxBmuEk7KvQQtubRARzG2Ekx0+RQMKOPAtWnnE0eALTQksadAtjnmEEdeBUQ2RTHAte4LF0RaSSQPVc9/Q4MTFUeW+QQUlsr/ItO/Ek40VQQCxXFAtDuuE0cRwQQ1iQhAp+13EE/YvRQEsj1/cKFKFEhWDTQMeaTARszWFkZ2sSQs16k/Q5lfFUIDIRQYbiLAlYiaF0TDYQQT5Hu+swC8EUAbvQQ3Klq/kYQBFkC3fOQ result_proc0003_0004 > LHe/4/cYnaEEO6VTQGrM2/Q9vJEk0ntUQuDiX/AKXxDUW3YUQX+XG9mWk1DUsIkTQG5Fm/s03VE0us7VQGhLh/sPlbEE7XqSQfGKLARcyDEELw6UQitgk/gWDLE0nUyWQ9D67/kk/iE0rJKWQlsuS+EqQcEUTpuVQ result_proc0003_0004 > LvE+m/8yWJDEU6IVQJgbE/YkvmC0JH9UQFV+++4XfRCUHOfWQ1I4m/AMemBkPWzWQK3uo/0r4KCUvI7TQnzY//wKBKDkUPzVQIh91++cBvCEYMlUQNjPN/AC5aB0lwxTQjk6q/UgHcCkto+SQV1YEAZtHDCkTqRUQ result_proc0003_0004 > Ln16K/KosoCEUDnXQkoLU/6DbgCU7TgYQPY6k/Wi0kBksrlYQTHjj/egwCB0ULJZQuY3+/OOz9CEVBuYQFve8/iefiDUroPYQjnAv/22mOD0zvLXQ4DlL/K6NpCkNrnXQdV/79IVHpCEf1wYQRcuOAzqesCkPJsYQYSn6/GgjHD0ukPZQC82NAHQlyD0GiNYQeBel/2gc6DUWSbYQQWyFAvZFFDU4RnWQwLaX/mHqlDEAJnWQ result_proc0003_0004 > L8c3y/KD87AkPaDYQmNIBAjs1H/T8KFYQAsgc/aOnS8zWi4XQFEll/ivJi8rBtyXQfbWTAPH3t+TXELXQKxfw/WXXZBEldNXQvlCHA7dlv+zFblYQUE7YA/sSn6DDdOXQ5fPgA3KBCA0Z5aXQBOuNAv3DJ/zgiKWQ result_proc0003_0004 > LSrpi+UsmL+Dy8vXQ1lGx/EN5/4zNBmXQ54iJAlmC86jUrZYQRvwXAxMxb+TQqXYQTVpDA9jXw7jfORWQBUsw+A1DGAED2vXQDfvm/E4da97M8mXQfqtRAl0Ds4biPLWQteUx/oH1G6T+qcVQbDhIApq0B/DS8OWQ result_proc0003_0004 > LciPHAR5mQ8bbDBZQcqfRA14485LaxeZQo04jAt6SU6bCxWZQ3nLqAhGZv6DiUtZQ9/0JAN6Hm+rw++ZQfgdo/orWY/LaHvZQBlSq/IEy3+7wq/YQIkVHAxJBB8Lkp7YQr62MAp1pE9zVqoZQD6HVAhQBJAsE5/ZQSsaJAhprd97+VfaQPkAi/I4ovAsr12ZQZmZ++4PLM+77L/ZQViPw/8LfYAcHxuYQTH7v+gwV89roC1YQ result_proc0003_0004 > L7cCoAV8P+9Lha3YQgpwxA9MBE+7TGyYQ7pR3At1EU6z4nwYQ3UhABl/e86zrC1YQevc0AB8ej/bbCJYQW6HjAhUjA/rspjYQJMS1AZ5HI/bWFNZQjfG9Aldvm/rMxEYQ7DZxAtk9yAss+KYQWYywAl3Vi+7m4bXQ result_proc0003_0004 > LL2+yA9rps+TlRrYQdLm5ARYZeAEQwoYQldiABtAydA0FQ7XQLWA+ANZi0/z0W5WQYn7yAxv2vBkQBqYQQC/qAVxl7+zmjoYQl88+AJJudAE+REZQ0MM4AxirTCE8BoYQ8XbuAtjQyB0Z3HZQcrZtAhRYwB0jGPYQ result_proc0003_0004 > LYnOFBZ6UFBUjpAYQW4WJBtXEKBEntwWQHp7GBlmDLCUIIvVQ+bMEBBqmoCkEWLWQjiuOBZGVjB0uoYXQm48NB1VsUB0sCbYQGdQIBNeVvBUuTjYQutUFB1osFBEnBAYQ6ZnJBJcqKA0kZSWQ7NqPBxTMTC0CPJXQRP9RBR2/7AUEd9WQvq2QB5Yl6B0LgtYQu8rOBVoGRAkE8iYQF58HBJ9vaC0txhYQDT/GBNOwXBUp4CZQ result_proc0003_0004 >

linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_cterm_isopeptide_lariat 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_cterm_isopeptide_lariat」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_cterm_isopeptide_lariat/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_cterm_isopeptide_lariat/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_cterm_isopeptide_lariat/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_cterm_isopeptide_lariat/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_cterm_isopeptide_lariat/out_mpi.silent and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_cterm_isopeptide_lariat/out_mpi.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_cterm_isopeptide_lariat/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_cterm_isopeptide_lariat/mpi_log_0.filt 9,13c9,13 < 3 4 0 9.24826 2 0 3,2,1 < 3 5 0 9.33363 3 0 3,2,1 < 3 3 0 9.77206 1 0 3,2,1 < 3 1 0 21.4969 2 0 3,2,1 < 3 2 0 29.6828 1 0 3,2,1 --- > 3 4 0 3.27912 2 0 3,2,1 > 3 5 0 8.61448 3 0 3,2,1 > 3 2 0 12.4745 2 0 3,2,1 > 3 1 0 20.9782 2 0 3,2,1 > 3 3 0 23.9187 1 0 3,2,1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_cterm_isopeptide_lariat/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_cterm_isopeptide_lariat/mpi_log_3.filt 30c30 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 21.4969 2 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 20.9782 2 0 57c57 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 29.6828 1 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 12.4745 2 0 84c84 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 9.77206 1 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 23.9187 1 0 111c111 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 9.24826 2 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 3.27912 2 0 138c138 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 9.33363 3 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 8.61448 3 0 144c144 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-4, 3-5, 3-3, 3-1, 3-2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-4, 3-5, 3-2, 3-1, 3-3. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_cterm_isopeptide_lariat/out_mpi.silent /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_cterm_isopeptide_lariat/out_mpi.silent 4c4 < SCORE: 9.248 -23.888 4.281 14.535 0.139 1.214 -1.127 -2.734 0.000 -1.742 0.000 0.000 0.000 0.000 1.185 11.081 -0.033 0.000 6.127 0.210 .00 2.000 0.000 result_proc0003_0004 --- > SCORE: 3.279 -23.178 5.493 13.857 0.125 1.093 -1.312 -6.731 0.000 -1.768 0.000 0.000 0.000 0.000 0.273 5.632 0.368 0.006 6.127 3.294 .00 2.000 0.000 result_proc0003_0004 16,24c16,24 < L3DqhBZfmME8syPKwaL8hBB+KJE8zfHNwCXohBpuMjDMc60Nw/+aiB5yWVDcce/PwAlrfBNLWWEMz+pOwAEJgBZ2CuE8Q2BOwgtFaBpRkOEsdF9NwDn3hBhCLcEsAq1JwV7DjBlnREE8rkRJwiZsfB5ltHE8G+pJwDe7jB92cOEsJQuNwlhLgBFbaUEsGeZQwfMSdBRgH3E8PkIPwtcIiBlRZzEMJRnOw3iufBlSowEc6C5LwXAJXBZa8XEcdPDPwQ2aZB1naQEso/zLwdisZBZdf7DM+yfOw result_proc0003_0004 < L5ZegBt8pKDMiX/LwLyCgB9tCdCsePbMwotKbB9nMVCMX6JOwuW7WBNiRJCMAiJNwoHhfB1oqFC8KNwJwZmyfBxxLqA8+U9JwOCsiB9ZYMA8jiuKwYyOjBZcUO9bZHzJwgaJlBBjOr8L/K9HwVrwfBJG8XDs/0PKwZcxhBh6GQCsWyeNwqjVhB13EQCcqWZIw73sbBJtCOCMPl1IwWfteBJb4NAc3eCIwQH9cBxcCUAsYhdLwfA6iBNNhOAczZ5Mw9zKkBJJB3AcX41JwprJiBtl/z071WkKw result_proc0003_0004 < LngwbBZX9bC8EYYQwlfWXBJb7VCsMTURwLIvVB5eBOBsE6ZRwnaIZBNmsVAcADjRwh22YBJTYmCsKAuSwEHJaB1IQWDsT5qSwkCXUBpJmdC8OKtTweygVBJvuxDcOtNSwaiWfBldhlCM32uQwj36TBlEIoCMLe9QwT7dcBJ1NWCsk6DTwBqfdBFzsbDcks/RwSOXbBJhGhDsvRqTwPUfVBpccpCM7NsUwRVoTBRxj2BcKowTwk4uQBBmytCcN8XTwVvuWBpXnJE8IMNSwWwJSBF9ntDMVd5Swr/TUBBcNoDMzdNRw result_proc0003_0004 < LEHiQBNVn9AMOYURwBSfOBdkgM/b3ASRwlK7QBBHCQ97hHIQwjGEVBpEQo4LlCSQwF9YIB5/tS/7+FHRw+E5PBB+Un97itmSwqS7NBll7uBsvvRRw2NUHBJiGMAMtNOQwmLvGBJtll8bmHCRw1fiGBpLbJA81D9RwknSOBxDf5+71NcTwMnROBB//Q3zokoSwyYMUBZgHZ9rU8uSw result_proc0003_0004 < L8NVOBRN/f9re/7NwWknQBtyvr6rC0eLw9D5RB5s0S+D/bxLwBYqOBFPY1/TRC0Mwx1vMBlDXL8LV2IJwulvLBVEMAAMlMVIwImlHBZMRDAcltNEw1f+QBVd4oA8qM4GwmqrKBhsUn+7gF4Nw77UUBhd2d9LLqDLwR65IB9FjS3rtIqJwhSUOBtf8zyLlXyGw8hJKBlYZjAcnWCKwz53GBFpmFBMhVEDw5M3DBVBxN/bl/nFw42CJBpaP/+rx7wAwI3QQBtQQrBsO9uFwIlkSBlsxFAM4qdDwPW2TBRU1mAcd/EJw result_proc0003_0004 < L8fnWBpTUF/DiN2KwlLaYB5MH7A0t1FLwPJ9dBBBAABkA+VMwogigBNcTDAEuvLMwh2cYB5OqmBkCZWIwrK+SB9RYuB0vvFGwniHTBNjJPCUUJ4AwavVXBJvmdCU6mw+vUFAPBNIATCUxyx8vD8BZBF+1d9Ts48JwcLoVBtiOdBE18YMwzICbBtn8CBUtH/Fw9AHaBFfcTCkLkiIw0ASQBBDvHCESbaIw/MYRBdIcuA032ZFw result_proc0003_0004 < LaGKfB1ETEC0QvlNwfNFiBhakJCk/LDPw+zekBlADGCkA7LNwD0pkBd3scCEEfLLwJDIiBFCA1CEfTPQwsemkBRn49C08gGRwE3qkBV1qeCk2TRSwv9hkBdW9rDEb5lRw/XicBp23cCEDihNwEVOiBZDkgB03XRQwrEYgBBSK3C0Jk4Qwwt/hBRyOODElp+OwKwZmBBdy4CUUhgQwJdbmBtn+kCUVi4SwjkwkB51/7BU4B5Rwu63iBt1piC0593SwwoSmBNASyDEhGNSwT1uiBl0ExDEU+LSwgNhkBNlyAEEqJvQw result_proc0003_0004 < LaOVmBNwATBEAK3NwT9zoBlJBKB0FrWMwzMWoB1lfaA0cDvJwoKBqB9L7cAkW62HwOnCqBxKuQCklT0LwY6BtBlKENCErNYLw+vAmB1d3sAk4fdPwK+MqBdIXkAk1TjNwroIpB5umeCUXMCKwglrpBVkplCkCihNwDB/tBt31FCEhnGNwAtdtBVzSrBUCqCKwdU0tBRHyoCk7fsKw result_proc0003_0004 < LYQEmBRkje/zboiJwm1clBR2Lr9zj4aGwJcGlBp0VL87V09HwIrfmBl3s1+bic6FwM17iBda13+jHVnDw+hTjBJ+wxAEzu6Aw1YoiBFjZ8B0EnmDwLZUkBh521AEYkC3vKC+iBxzZlC0J+IBwUCqkBpIICC0lMYqvgH/jBBBQnC0zC43vOrUkBt5SOD0sEIsvEaukB1Gwl/DlBDLwO+HnB9fj69zsqoDwWNUhB1qqD/TKDhGwSMTiBxvn38z+ImAwkZ1hBVpL5BUCGqHwua2kBxqb2/jBdNtvPJciB11tCDUB/PDwJIdlBJMvDC0XkBzP+vvjBV1nkDU1lj3v result_proc0003_0004 --- > L5WKg/gUCBAsZ+9GQdUIDA54ST/bE57DQ4MWBAJDHx57miuBQrArh/ID2V4TtbC/PJ7lGAF0woAs6Ok+P6fHZAxFoLAMoqH3PWZpKAZTFBCsu3dBQGEXj/Mbp8As9xLIQaK8Y/MoFx+rUABJQdr5T+wr97/LKqlEQCp7QAJciZ/LNSmGQpxow/wGapAc9hj5PKfVbApn94AcAWLgPzTnVAdqAZ+bVIlwPkE2jAJ8mIAsuSV8PraENAduOXCMo4T8P+n3YAtitAC8ua/DQVpz5/QYYLCsUs0DQ result_proc0003_0004 > LiZcSAB9FK8jufVCQNLjSARxC3/jcVlAQWdfhAtmxvAEpbrDQxdqnAR++MA0+w1GQOODXApeHBA0ecUyPMtGmAZ+sy+Dw7ylP5kInAB/bu+TflZ6vqXDxAhKiq8Tu659vyssvAt+5Q7rWaACwfXtfA1N9e4jZpDEQ1W0CARR/WAkgdXBQiEJXAlZCEBUjNwqPpzRKAJgUC/TklNcPEOomABBSB7jGPmxPULtsAhE08/DOMEyPHLRnABrfYAEdff9vIrQgAhdbY9zoG09vngO4AllgD+DMSk7v result_proc0003_0004 > L39hhAVGwBCEPBwCQv+GpA1rReC0coYFQtGm0AFY2SC0Y37DQCsN3Alu/MCUrZf+PeN6mAZjPND0nm4DQZWDYANOdbDk7yDGQGBxvAFsCqDU7f/FQBaxQAtIQDEk0J/DQPFWYAFlIOCk4wJAQ/lLoAhD1aCURR2IQxxhmAVDTQDknCG/Pt3tYAhPCdDUyGNJQyq8LA5zyDDkPNAFQ8QFuAt2jFEUrg5EQHhY3AF/VgD0hjQEQdrLwAJNVnDURtKJQtjOBA9zLHEkZGtFQIucPAdwpCE0v3R/P9CXcAp7cPEkrmHFQ result_proc0003_0004 > LMPb7A18tPCUQS/HQgyQDBFb7CC09ULHQhqnDBx5prAU0L5EQRYJDB9p6eAk1qDAQwaLGBFVYECUSeSKQ4c5FBRtZiCkZLRDQ5N34AVmXWCk4U3JQ7ZOEBp3SgBElouLQNESKBFtSzBkDZFKQjaMGBRaqkCk0aFLQ6PoFBZeqCD0mevEQF0FKBpPyaC0I+sCQov6DBpZahCEfi0+P result_proc0003_0004 > LrSdEBV8Ya/jB2MIQyCnEBld3c6TsuxGQ49TKBJrBT4L/tmFQMxZLBplUr+L2JJFQZeLCBFtaU87b+kJQehe4AFMru67qeLKQa/D1ARiAb+LL1hMQA03xARtCn8LhqZHQ8MAFBNqU4/zMZJKQrKQCBJ8vG5D57IDQQcZEBJXVX7LsKbLQE/oCBVMwP/bUa/IQMOR3ABsVz8ja4vKQepnsAtdSF+LRN9MQbqz5AJ5K09bLLSOQkfT2ABVpQAs08BMQJTbpAV2227r/KIIQMMEzABK4Y/rS3QGQJeY0AxlqSubhIIEQ result_proc0003_0004 > LxD8NBBIBS9ztKIFQcfmTBRkwF8z94ZEQJLlUBhU8b5ra7U+PgLwWBFdXz6jMwd1P0esVBxbkf6LY4iIQ24tVBlW6U7D8AOLQeexXBx9Ff7bZTeNQR2zYB948L/LKbBNQbrTYB5y3T2z/npPQFcvMBthZk/TFPRFQdWzVBtqU7+zjqREQyPQTBtUqa+rL6wIQnnxZBRROi8bLCIIQ5KOYBBY4m+D1RDLQoSqRB5Fi98zpWrLQ result_proc0003_0004 > La19SBd6a9+bJm99PiHpTBFz5SA8gwxwPGeSOBhhakAMstAgvBpFOBli89AcazT6vTlXWBJB3nBMscd2Pd+4bBZnagBsPEg8PB07dB59pcCs+QX/Ph/tfBFuIzAs5q1xPCbORBpzix/LjiPCQGLLWBlAYg/rcxxhvEEyTBh9jFCsTbr8P3U1WBZjrGCckFEAvFQjbBFdy7Assn8BQUd7gB9qAaCcSijBQmRKbBZe3rCsxPdCQZNQeBNZ7vCckSI4Pxk0hBBLztAMBzq4PmFCgBdmwXBsg04pv3iMeBRdum/79IfsP result_proc0003_0004 > LZH9JBBtiWAcehzxPVXmEBRSqoAMbTDePtEvCBdAzG/7KJs1vqHHEBBbHD7LANPzvoCrABlMcxA8lWH6P3yJCBRxY8B8ctmAQCbYKBtyq9/7AvX8PLjvEBBT+kB8h1+tvYKU5AtUy7AM0J81PNVuAB95Su/b455+PoVhFB9Y8vBMVOtCQZa1CB1T8YCc8L08PPSe+AtXxECMfFSDQ result_proc0003_0004 > LsaM/ANh95/rGgz+vIle7ApvtD+rN5gDwLIuwA9UkW77eBBCwYgToAtUtr97KemDwHss6ApRfe/bMldIwoirCBp8JNA8H6iJw6QlEBps9dBcgo5IwDrqFBN/kv+bLvLLw44cJB1FS5Bs484JwQQiKBdSNm/r/CLMwEWbMBlhfDBcG/hLwXtRRBN2seBcFDhMwxE88Al7+6AMaxK/v/pnABZy6b5b4f2Dwivd1Adh0mAMuASIwDiH3A5EeI+bbO7Jw/APCB9S9DCsAdOHwfJLEBRfIC7LDEsLwQg8KBNSYcC82hYJw/m4MBZoQS+LsXdNwnAKSBVjmKCcBvvLw result_proc0003_0004 28c28 < SCORE: 9.334 -29.837 6.925 20.810 0.132 1.122 -0.746 -8.221 0.000 -3.662 0.000 -0.682 0.000 0.000 2.961 7.886 -0.333 0.000 6.127 6.851 .00 3.000 0.000 result_proc0003_0005 --- > SCORE: 8.614 -25.307 4.709 18.060 0.134 1.419 -1.492 -2.496 0.000 -1.571 -0.426 0.000 0.000 0.000 0.877 8.019 0.703 0.000 6.127 -0.140 .00 3.000 0.000 result_proc0003_0005 40,48c40,48 < L+f4OBNirpEEMO7ZwzW/KBlRm4E0JbpZw/+SKBZ5L1EUte5YwVzuIBZq5jE04VrYw1ziFBtf61EEh1/ZwweYBBhkgEFkulrZwSRHGBtym6EEQYvaw6gQPBhURsEEBqaawABbSBRh2rEEY9sZw1FpNBdAraE0gR2ZwIDbMBJy2IF0M2uZwUeKEBlBhlEUAc7ZwAYH7ApnZCFUQ07ZwH97ABBzeAFkJ2JZwtZqCB56GVFEznuZwc7PCBBoq4EkkB/awZChHBVd+KFk1wzawXM/IBRdivEE2d9aw result_proc0003_0005 < LXJeLBxJxFFUllgYwlUZKBdnfFFUBelXwiJbEBpJnDFkQnTXwyNNBBl+tPF0xa2XwgDaNBxBHzE0Ib6WwyvYTB18qyEEa9MXwmrCWBNORfEk4TkWwTfeTBZm5KEkNp/Ww6CFVBJhoyD0yTXWw9uJNBFt5SFUNxtYwP7xLBJgjUFUyDKXwULuLBh24jEk4RPXwBt4MBpQH0EUGR1VwydPVBp/JBFEfxzWwNCCUBJjLyEkm8IYweLyVBN4fgEUpyeVw7DQaBdA0eEk9Z2Ww7bsQBpBPLEkvfuXw result_proc0003_0005 < La29CBt9W0E0jKdWwqWt6A1UuvEE+0LWweyI2AZDQgEEQrNXwyg8sARSZiEU5noXwS3S5AZHUmE08dxUwcZZ8A5D22EkujtTwZY1tAJi1eEERSkUwRjI9AtSytE0+CUSw1c0FBdMwrEUgA/VwnQN2Adln+EkRkPWwrZq+ApvuYEk5VpUwO1i2AVuwDFUHLtTws+DCBNB29EUXz9TwoV+sAddPYEEwFkTwDu5rAxckSEkhUTVwgtZoAdKWsEUe9rUwCrX/ANEd6EETinRwIQlBBBrLhEExcSSwaLa1AFWMnEkYgBSw result_proc0003_0005 < Lj4m8A98pQEE6XnXw4yu5AxoZCEk+xWYwR6wwAl9cmD0SzJYww4uyAtSdBDUrl9XwT6zBB9ulqD0icjYwK8B2AR49PEES98Ywtc2BBF4nOE0AhJXwYVVDB97/YDUTfIYwMi2ABF95TD0Yj8Ywcy+EB5Nb/D0OuuYwq9J8ARvFbEEzZGZwiaK0AdI8FEkERYZwh/9uA16JZEEUq0Yw result_proc0003_0005 < LvH6mAJPU2DUFKLYwDWBbA1GtaDku/JYwSd5YAVKhEDUnm9Ww1tEMABkhRDEpwHWw1zwGANT00D0OQTYw72HGA9ysFEEj0+Yw68Tj/A8ySEEmXCZwokeHAl5QqDkzYiZwkm5lANgKLEErCNYw8JwcAJ1QCDULniYwlNEFAV+lGEE3K1XwWS8x/UwifDkVhRYwwOnTAhGsQEkBWBZwz7Zi/In0aEE2UhZwPcgi/wIueE0R7oYwJFsd+oFQIEkLb/YwASCHAFaU6Dk3WBawwv9z/QETUD046fZwqrYWABzZYD0jafZw result_proc0003_0005 < LuixiA9V9iCUIvwWwpiAjA12bMCUgCfVw9ibuAZUsBCE3tEVwhFaxA9ucGCERO6TwJ2rYAV43GBENCkVwDK7AAlXkVB0yizVwLm2o/sTnDAUMA6Vwn9I8/gcXB+z2s3Vw3wkm9Uo8HA0DQBWw1vinARcyYCkiygXwRnJfAptOhCUvLuUwNqteA93geAkalXWwD+WaAhAFjAE3hoUwH570/gun7BkXH/UwUj59/so+5BkBduWw result_proc0003_0005 < LaSz0AtGXmBUaSCWwcax/ANf4LB083wVwznODB5vPLC0KDQVwVw1GBpYZFCkaybUwQxcCBRv6mAkmCCXwKaKABRJei+jKAhXwFMpCBBvPo9T2dbYwIoRBBdMzF5z5geWwRL+xAJtiiBUot+Ww7Mo/AR0YaAU1x/UwG3+BB5FEVB01t1XwWftGBNT5dA0xY2WwCqt3AJaou+zXRqXwbJBBB93b007FemYwAEuBB1pkX/zmyyYwfx9GBxbQS9z28XYwK0S/AxwIC9rBg0WwcJlFBNqaF3D+QVWws1y+AhAHw7D6EiVw result_proc0003_0005 < LdNACBRLnxC0GBvVwXXdEBlNhYDENuNVwwGfKB5lXYD0uAcVwyGkNBZcVkDkaXjUwExMDB55qdDky/uTws/j6AtUeXDE/ReTwijm+A5f4zC002eWwi+yCB1CrzDk4gwVws1VEBFVr9DUXIaTw8WbFBJ38FDU5TKTwI9b4AVee4CkW0lTwZEF2AtvDpDUtbHUwfCk4Alr+fD0O8hSw result_proc0003_0005 < L8gJMBd7vKD0ADoWwG6zRBNNaJDkiO+WwJ4vUBdIjwDkIDcWwgBGYBZrEtDUwqiVw4NhSBVkDGDU/oPYwr/ERBVmpaCUtshYwsbfMB531VC0dN6YwB8VUBdhUvBU7vZYwCNLLBdWZcB0AtKZwHuBTBN1CgAEVPqYwvrdOBBleWA07nCZw4yJNBhaBP+zNDTZwq2aJBFvEBDktmTXwhklTBBNOtCUAggWwtCCQBZcCeDEWYfYwjhqWBNq2MDUC/XYwqL7JBJOWxC0adAZwLe8XBZQ32BkedGYw0mkHBB61UB0S9dZwY3lVBphCS/T79jYwF64JBpt7X+TGGjZw result_proc0003_0005 --- > LdnwqAv+uWBkRBvLQTJQ1AbE0eBUBIfKQiGW0AH1YBCkj9UHQYK9tAPSNeC0ABTGQ5gg8ADTuMCU8ALMQ7GiDBjdoUCkhbvKQEdZ+A7SpxB0hG6OQGzlrAHlC/A0eLlNQtkMmA3LUvAUqdpKQfPSnAfgJICUsS1LQX744AnTdfA08TYKQ1Hn4AflsrCEoRaMQwADGBP4apCkxe9LQ9OxCBT77jCEMf0IQjokFBDUfsBEnzaKQc6wBBfyuNC0B3CQQXFIBBv+hzAEIxqOQyxw2AXMXpB0rd7PQ result_proc0003_0005 > LBvx6A/tagBkjnrDQp0k7AHJnBC0Dgk8P/yvyAPoSgBEugyyPALoxAjz06BUZdPvvUQRDBb9QvB0xQf3PyHEFBTcxSAkibH5PxfqKB/JGFAkfiVxPTzwKBnZVJA0Kkc2vgoGNBThuNBEaod7vPmO/AX82sAUIIrEQp9n6AvgQkC0m//8Pt3NDBHVd9BESgucv5LSGBn7IMCkBNa7P/7CFBP/KCAUK6yAQ8rSCBTgCR/DP95xP/4VNB/VE2AE7Rq3P8JJMBfdIN+TG+T2Pa3FJBPLvy+TBGf7v result_proc0003_0005 > LyVfsAT+nkAkNWq5PVn5iADZMGAEtCcwPRe+TArKlIB0zvWxPC5gEAzWFEBEsJLjvEZ4dA7quG9jiYK5PEGtWA/bt/9TBjXCQZ8pnArz5Q67gno4P+9zLA/rBN5bZK2EQvRbuA3NtLAE8jbAQe12kAHca1/zRTTwv6o7PALBGY7jvcixPSiQiA3xvg+Dkd0EQIQpLA3Bqr/j8GiCQoXukA/g0a+bRqK8PPp1pAvbXr7LoWMSPVIquA3wQ31TSCD9PC8LHA7enN0TnPeIQWdL7/ebOo77N/hCQKzxWAvb9F+rDt2EQ result_proc0003_0005 > L5pOWAvFGDCUas67Phs+FAjjBkC0/Eb9P+vbCA3ef9C0lWvsPvHdj/isx5Ckfelnvtc1h/a/aOCkvWWAQ0hXNALedCDU5aKDQyUxhAf2tDCEv1PAQN+HQ/u8quB0idz6PEauh+65zlCUSVxAQ6ojl/qjY7BEZxHEQR1UQAfKNxCE54zGQ/pVBA7cnaDEy79DQoDIcA/fWSDkClCCQ result_proc0003_0005 > LV8PSATuXXDUGNGQP0hpQArlYyDUqSO5vvsYfAnYkiDk8yCBw1ptnAHOUND0N5+/v2eNWAH0aQEEVRz0v/m9IAvlcaE0U3hqPYw8QAH9CxEkZEoxP/J4i/aUiaEUJw7XvLkufAHtWYDEpEaxPU7OAAbmOxDUI+I8vDFfjArpIREkYtGwvQDFUAHCRaEEMHh9vtHDLAP+IRE0t575PAYiHA/7K4EU55O7PjJ3gArpewEEkrX2PErTPArvr6E0u6mpviFFA/SyphE00f2zPDFVd/K42jE0Srl3ve7UQ/2nKKEEpT9mv result_proc0003_0005 > Lwf2ZAf3DtDEcTAGwRQrjA3pjiD06bSJwGLphATQC1CEhGQKwZP9bAnGOuCEryfMwXsuhAzxEBE0+0kLwgzjkATvKYE0eq6KwMlniA74LnE0GvNNwsdkcA/OTgEERbMPw4UelAvok5EkyX/MwJv7LA7zt8DEtAoGwBjBsAHd4kDkr/qIwkWpSALwmAEUByJMwhCbmAT8m4DUHEUNwWc+sAvk+YE0D5WKwPiqfA/zTdE0ZBNJw result_proc0003_0005 > Lt1CkATx8VCEWniIwg2/hAvSOSBUxeKJw6VZsATr0fAUkuXJwdJXuAT8No/zR/WLwIBmVA3rLqAUATCGw7NhPAr9SY+THt7GwvNpCAroHI+zahCKwKbzCAvFxu8DNAKCwn4XnAr7kdC0+qhFw4b0bALz1OBU4cFLwuQ1GAb6/OBU8dzFwxetdAngiuAkU9LCw/cAeAXR1X8DkrYHwFMq8/ymOeyzp7WKwa2OMADkG1+DADuLwDxTo/eh/U/TQq4JwEf/8/yyV567HuyCwIjmo/O/jj+DsBtBwEKfMADrnE9Tv2F9v result_proc0003_0005 > LjRCzAH3LmAUcDnGwaZK9ATh5v/j+VdGwoxJDBnDZyA0TpwEwfNRCBX2z0BkM3QCwthX8AXYHu8TZMtCw9Ha1A3ZxP7bPiGFwe+AxA3uBMBEnpfDwIt4+A/F+B/TfgPJwhnKCB3X9L6Dnp/Bwnt34AHmL/9jKg19vfYotAPNTC4rqaJFwelk3A/r8a874zdIwlE41A7E5h+bM5+Cw result_proc0003_0005 > LfuCIBj5RZA0KOIGwvCzMBf0hGBE5HSEwKW/MBvHiKB0oYZ8vsBHPB/trDC0+nl3vK32RBfRxbAkpTdGw4cDTB/+nL+D2d8DwVEeWBftQB+zuwK/vtGvQBvlU01LbBAGwOBkXBT9Be57e9k6v+C1RB7Mok+7GJtDwvhOVB3B8u+L2Av+vhMUWB3KqlAspZK6vlheIBnQBL/jDRQIwJqoMBbdCECkLSxFwIbSVBXGkFB0RVyFwG7dRBDkrSAUZXYJwurSYBfbB1/zb777vWHDOBDxFGuD/ktIwsvPaBPBlP6bgC6uvfQAQBLPMMA8hbUFwDBaUBH7lRBMTN89v result_proc0003_0005 52c52 < SCORE: 9.772 -23.777 2.701 15.100 0.137 2.047 -1.628 -0.297 0.000 -1.607 0.000 0.000 0.000 0.000 1.959 9.459 -0.548 0.001 6.127 0.096 .00 1.000 0.000 result_proc0003_0003 --- > SCORE: 12.475 -22.174 4.928 13.821 0.135 1.421 -0.887 -7.660 0.000 -2.551 0.000 0.000 0.000 0.000 4.542 12.188 0.639 0.000 6.127 1.947 .00 2.000 0.000 result_proc0003_0002 62c62 < ANNOTATED_SEQUENCE: V[VAL:NtermProteinFull]X[DORN:SidechainConjugation]I[DILE]X[AIB]L[DLEU]ELX[DPP]Y result_proc0003_0003 --- > ANNOTATED_SEQUENCE: V[VAL:NtermProteinFull]X[DORN:SidechainConjugation]I[DILE]X[

linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_cterm_isopeptide_lariat_tailless 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_cterm_isopeptide_lariat_tailless」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/out_mpi.silent and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/out_mpi.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/mpi_log_0.filt 9,13c9,13 < 3 3 0 3.56476 3 0 3,2,1 < 3 1 0 6.77175 2 0 3,2,1 < 3 2 0 6.90931 1 0 3,2,1 < 3 5 0 12.9637 4 0 3,2,1 < 3 4 0 40.1073 2 0 3,2,1 --- > 3 1 0 9.5893 3 0 3,2,1 > 3 3 0 13.2422 2 0 3,2,1 > 3 4 0 14.6368 1 0 3,2,1 > 3 5 0 15.5074 1 0 3,2,1 > 3 2 0 18.93 3 0 3,2,1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/mpi_log_3.filt 30c30 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 6.77175 2 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 9.5893 3 0 57c57 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 6.90931 1 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 18.93 3 0 84c84 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 3.56476 3 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 13.2422 2 0 111c111 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 40.1073 2 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 14.6368 1 0 138c138 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 12.9637 4 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 15.5074 1 0 144c144 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-3, 3-1, 3-2, 3-5, 3-4. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-1, 3-3, 3-4, 3-5, 3-2. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/out_mpi.silent /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/out_mpi.silent 4c4 < SCORE: 3.565 -27.772 5.405 15.875 0.137 1.277 -0.928 -9.011 0.000 -3.556 0.000 -0.564 0.000 0.000 2.206 13.193 0.361 0.000 6.127 0.814 .00 3.000 0.000 result_proc0003_0003 --- > SCORE: 9.589 -29.510 7.308 27.018 0.133 1.488 -0.991 -10.861 0.000 -2.642 0.000 -0.534 0.000 0.000 6.654 8.141 0.262 0.000 6.127 -3.005 .00 3.000 0.000 result_proc0003_0001 14c14 < ANNOTATED_SEQUENCE: X[DORN:NtermProteinFull:SidechainConjugation]VI[DILE]X[AIB]L[DLEU]ELX[DPP]Y result_proc0003_0003 --- > ANNOTATED_SEQUENCE: X[DORN:NtermProteinFull:SidechainConjugation]VI[DILE]X[AIB]L[DLEU]ELX[DPP]Y result_proc0003_0001 16,24c16,24 < LRu7ABpgnSF0w0lSQQn+CBVBfBFEnmvRQrH+8AxZ12EkDZ9QQvoG6AB8dkEUCPORQuEPHBJ6EKFkgRyQQoQnJB1hT5EkiWtPQuHEKBhktBFkEL3MQO/sLB1TrwEUR38KQdN7IBFBhvEkuKsIQZc9DBZAUZFUC+FTQckT+AV9rdFU7bBSQ9Ek8A1rnMFEyTPTQuVzEB1yW1E03aYSQEIgKB5yHRFkp7WRQS5gFBFYtWF0o0KQQGZFHBRiFrEU8gtPQKDlNBB/z0E08VNQQM4ANBJDkOFEDyyMQhqNGBN3HIF0LkOMQ6xxOB117mEkE0bLQ result_proc0003_0003 < LfMj4ANMeCFEoR/PQQhzvAtyP6EkJxWOQioAzAFDqlEUb67MQzvD8Ax4djEUgPAMQg3ZsANYBLFEy+QMQrxO1AFGUOFUbgNKQkxEiARrCEFUGi6KQ8ZU7AZpZRFE6NpPQtoApAhE52EE9HqPQALKrA5PUaF0RBRNQaUsyARVOaF0g9vIQvZd8A1+2TFECqNLQ0U32AlUP/EE0cMJQNdbfApz+PF0dLcJQ4yTjAd3s0E0NI7JQchkXAxebCFE5VaMQ result_proc0003_0003 < L9YirAdzlWEU9zxMQmJwtAVvrBE0y/mLQTKCpAxejfDEtmTNQ1UEhA9WzlDU9zsOQAyRpAtiOAE0ewvIQHcgaA1K4EEU/DvIQkBKvA9BoPEEx6zFQEO5PAtnDBEk2yHEQBbIkA54sZEESIfNQO+Y2AJH9+DUkjhLQBRSqANm+fD0KT/HQ+gxXAdieVEUnlTJQdzlSAR4q1D0y/NKQb/4rAlZZOEkZAyBQlgo3ANYmLEUCVvFQBLKuApD8fE0faRHQT/v9/0IsEEEMKbEQj48RA5stgDEU19CQAILXApnWLEU+YHBQ result_proc0003_0003 < Lmy/tAJoA6CkihLNQ0IppAJh7TCkL1dOQe+nwAVI1ZBEcc7NQ1oOvAtiltAkn/6LQokucApetLCkYbXNQAVEpAtxzbCEjxvQQrx90ARsy3CETsKMQYcDdAl/QIC07eOLQA++VAtFedB0vbNOQrsMSAxkQmCEFZ1NQBLUkABho3CkPw9QQ2ThlAxMrACEAaQRQPw/wAtUNhCkzzJRQ result_proc0003_0003 < LcQJ4AFiQJB01+uPQH8W9A9t2r/Tup4PQ4auCBhdWV/TinoNQv6dHBVw85/zzF+NQRjeBBxXxW/TPDTRQTNt7AFwJk/Te/hSQ6FOBBdUCT/jwvyTQBHKzAp8fz8z9CeSQMhT6A5Ql3BEQIhQQaaR3AZe1I+T9FsPQdljEBtHWcA0zuYRQiNaDBBhgz8DWrURQEO53Ad80wAkYPjSQLjS9Atakc/D81qUQAUMEB9FicAk/h0TQr4ODBpwtu8TDzyTQfGAuANrpG9juIWTQFj92AlVOP6rx4cSQrCYuA150U9jbTkRQ result_proc0003_0003 < Lkx0ABR/6Y+TUvVLQUrMEBhq/H+Txc+IQGdNFBFrpaAk0YWHQiOTJBtzrnAUG2uEQ2pnBBlr5l3jg65FQ92XBBJ7fr+LgqtHQvVj9Ad7aPAMoRqDQGfD6AtMuf/LidO/PgPF9AR/JbBsRRnEQmq45A1Knr9jgtOLQ4vCIBpy0l8D1ilJQPFG7Atrnh7D1FEFQS11DB1e7W4jr9JCQ1NbFBVw3Y/7D6OIQe+T+A54gy+brouJQ result_proc0003_0003 < L+edBBNZwVBkMvCIQauBCBhpHWCk9E+FQTGjEBhq5zCU9nCJQefyBBh5kFD0JUwKQLIH5AtqrnCUCTREQCsUzAFYUOCEoXx/PcQYoA1/FiC0xsu9PGtE6ARnPOCEMWSzP+7Q8AtPYGBU0PFJQ/CoEBFw7UCU0ZeCQoV6zAtPioCk4zwHQKdK6Ah0UIDU3+0CQsYFyAVI+aBUOZOBQt+QkAJPEQCUP6/2P4mqjAFcKhCkZBiCQ5yWpABNLDDEGUK7PEk91AtoY4BkmZaZvJsT7ANyDvCEouzrPQY5AB1S2+BkQ/l2P result_proc0003_0003 < LtpzJBNhV5CELB3IQiDzMBdkIRDEG53KQZEvNBxmM/Dkkn/JQRKWRBBuWKEkzb/KQQoGSBxNJ7CU1+cLQApNRBl7NOCUkAgMQ/JyLB17psCUVpkGQKObKBlZ2RDUS7sMQBQTUB9ZZNDkI38MQFMdUBV5U5CEnunJQ7A2PBNrZ1BENgCLQkQeOBJw+NCkUz/NQxyoUBNONBCUTDNNQ result_proc0003_0003 < LcodKBJgFHEUdvHIQ62ULBZd3bEExHvFQGuOJBFh7tE0+9nIQ7MdFB5zH5E0QhxHQImqIBVoncEUUfOAQ83sKBN0xLEUyix4PVWNIBpE9vDU4kP4P2zDPBVnIQEUstDpPgVEKBpRMRD0C41hP+x6QBlWwAE06sfxvZFcOBJUHaD0ISjyvxlSQB1ee7CUwqQ8vQ8SHB5aT8D06bGHQrdnPBptQeE0I/OFQv1WEBBwfaEUc5qAQ+rUJBxrRsEkqj28P6EyEBpvGpDUAFX9PxUBRBdCsfEU2+vqPuBHIBJWFyC0/1AdPkMWUBlOLEE0BE35vgXTTBVnlGDkHSEAw result_proc0003_0003 --- > LNNBl/Q0isD0GcrGwg6LBAhTgMD0chjEwWumv/YTb2Ck65T/vqv8w/k9nHDEpi60v87qGAV4YrCkLFbIwJO/TA97v8CEu0uKwkKhlAlMjED02h4JwbrpqA1ACdC0HF1IwhhS0Atd3TCUAuyJwRcHy/08f6DEZT8Iwk3Jm+gzdeDELruHwtxee/kiVBEk/Y4Dwps4PAh3hcDkG3UDw3n5v/gbNeC0yRQJwvigPA5jBRC0HWCHwvEGNAp7yaDEWlbLwFYzTApC7lC0rOYMwcrulAdXEdDUpMVIwkIIqAl23PDEf9lLwAttmARKOLCETA7Gw result_proc0003_0001 > L4mNc/08OQC07UeAw2WdT+0QF0BUtRk4v98oi/A1HjB0zHJhPfpZDAduCFBUy22CPPeAt+q2keAk5J08vYa1c/GSiU/j5U8uvWibs/GoVvA0F/uCwzUSh/gnNCC0Z5FEwC2tI/WYJOC0B3O0vViL8+EPly/zsvEAwlLwq/a1J48Tk1w1vVnmO+qsI6+Tr14oPvVc4/uhFOAE5bH7uayx4/GtNl/zfDOEwIVUDALU8UBEqnEBweMWb/iGiSB05DBGw result_proc0003_0001 > LmMyD/84l2B0Bum6PJXqo/YpflBUW4RCQ8wD9/IzUbC0jgfEQgM+FA1jKcCkpmhIQ3Rmp+8R8+A0Q/fGQvBcR/O2E/BU2E+HQOZRk+6v0X/zqddEQuoGz/iM2kBU4fYKQ96dt+aI+ICkaQ66Px/ABABde3A0v+dBQILfY/cqyxAko4EJQ7wNu/uUuDCUNElEQ+zVp+m0leCkFOaIQZMxc/OlGj+zocfHQXZqA/w0n49jzFnDQpVSW/uS+w/jNI0AQmipFAjkvKCkt7xKQLsqc/ivSeBEH6HMQHWXBArh6nAUvh+JQ result_proc0003_0001 > LLep9/c778CU1PPBQIg8HAxJ0lD07c4CQGHrfABcdhDkQZKEQq/ujA5aY+CksJRFQHuG4/Mjl1D00R4HQ8YEFAd0EDE0Tgo8P6rIx/YFG6Ckv3D7PnW75/gNVeD0pWhJQyM4CABGpJEkwsqIQKFEN/kJ26DEv8/GQng6o/M5rEE0rYi6PeJBLAF2tSEkV16+PSWlNABIs7D04HFzP result_proc0003_0001 > Ld/ilA5npCEk/ZAEQH6OwAtT5DE04qUGQwEz3AtO9nDUMjrDQrp43ABmYjDEvGl9PAKt0A1PoaEk5QvFQJLs/A5sheEkqcJIQmQz+ARDScE07/KLQ9a2BBZtq0EUlOwGQW0ZiA53vPEE2LPCQIDsvApzAAEU//RJQs7EvAZGzlEUcpiHQDUX1AZmXeEkajfBQHiqCB9ueSEUwV4GQPbTDB9HDfEUuIFMQQSE8AJ+MMEUCwqLQFqG5AZV+nEUL27LQiYwFB1tb3EEKMSIQgrE+AZfuAFEffFIQDsMCBNyu1EkqkaCQ result_proc0003_0001 > LeIJ+ARAASDkQa8GQNyiDBlqv4C0Vr7EQwWyBBZ1cLCE/ihDQF4CFBFmshBkE46BQeUDIBhHO3CUqMiIQchjKBdnfiD0b9JJQ2iIPBZ8efDkdIGLQr4SQB15w8CEF6+LQ+ReRBlG9/DUdRsLQS7u8Ax30SDkcddJQLeDFBNj5HD0WiTBQDCiGBp/7pCkDtZKQT0NLBtDEiC0QvpHQ62/LBt4rwD0ObmGQglfHBl4g3Dk3j+JQ result_proc0003_0001 > LgAP5A9j3CCExiIEQH110AZCaxAkDn8CQBiexAVtpqAEYkN6PC4VuAt3bM/zUi80PgGOrANm4eAU6zkGQ4MjtAFJ4dAkkLTKQHgJjAtSIRA0MX1LQ5mg1AVO/t+zfS7KQXoS0AN2JaCE09cFQgQA7AZooBAkGWtDQF5HlAZKRPBEgO2FQBa7nA9qOB/jGKgFQ6O6wANqWbB0eh5KQNczkA1QbQAEfW+NQQ/UbAt/XFB0ZNYLQIbDfAdmCp+DyDQLQ/5K3Atyns+TzTENQJxJyAtn2L7zWKVKQ3q68AZUpE/j3N1JQ result_proc0003_0001 > L0ZJyARjDyBU7P9wPJcYtAtPx4B0APR0vNU51A1tz0BkBu1+vyMG+A5eDQCkK3L+vqo8mAx6ilCUGiL2vwjycApFxnCEV30jPWtD2AJ5fSC0GmG3PctBoAZdbCBU8Wf2vSrGjAlazmC02V6+vT/QsAlM9AD0dfY0vK+qhARfisCE02x4PgjRUA1HKMCEqrjmPmLeSAt4GADUabqJP result_proc0003_0001 > L7k5zAhTnAB09rfDwkQi4AZY3OBEStYIwU4R0AN0eQC060oJwxjm5AtaTkCUjETLwJsS2ApqfCAkt+NKwTloqAJmmx/jyJ+KwhssmAdg8gAE7dPNw6V4jAxvjP+zdCZJwogGYAB6FYAUyd7Nwi/dSAFat79D8BFKwe1oKARbuN/DwlVMwv72q/0zF8+TOaBNwM8CvABRwNAkjD7Cw9alABhj1VBEfnKIwdq76AdkAJAEIiDMwLe34AhHcP+jzPPJwxeAsA91eHB0C9eOwiJ+mABAKh8DFkNHwdy6RAhDo3AUKntPwjM2HAZidD7T0e1Iw/SYl/ohv5/jPdpOw result_proc0003_0001 28c28 < SCORE: 6.772 -28.323 5.655 23.845 0.133 1.566 -0.985 -10.645 0.000 -1.618 0.000 -0.474 0.000 0.000 3.954 7.625 1.145 0.030 6.127 -1.264 .00 2.000 0.000 result_proc0003_0001 --- > SCORE: 13.242 -19.387 2.730 15.418 0.137 2.162 -0.349 -6.977 0.000 -1.103 -0.971 0.000 0.000 0.000 2.093 12.722 0.361 0.004 6.127 0.274 .00 2.000 0.000 result_proc0003_0003 38c38 < ANNOTATED_SEQUENCE: X[DORN:NtermProteinFull:SidechainConjugation]VI[DILE]X[AIB]L[DLEU]ELX[DPP]Y result_proc0003_0001 --- > ANNOTATED_SEQUENCE: X[DORN:NtermProteinFull:SidechainConjugation]VI[DILE]X[AIB]L[DLEU]ELX[DPP]Y result_proc0003_0003 40,48c40,48 < LNNBl/Q0isD0GcrGwg6LBAhTgMD0chjEwWumv/YTb2Ck65T/vzvJx/oghHDktP50v87qGAV4YrCkLFbIwvaZUA9rg8CU62sKw+wglA1dTGD0NswJwf9tqAtITgC0hvhIw3Qe0A9L4WCEe0ZJwRcHy/08f6DEZT8Iwk3Jm+gzdeDELruHwtxee/kiVBEk/Y4Dwps4PAh3hcDkG3UDw2x5v/8CveCkTTSJwqWMPA9prQCkSUBHwJ0ONApUtZDUFffLwhbGVAlt4kCEIRTMwL9SlARpEgD06jSIw9TVqA5EvQDEjMdLwbYvmA5rnPCE6POGw result_proc0003_0001 < LcSwb/UOWQC0TseAwvyIo+gLbwBU8/S4v89nr/IBjLBk2GPcvkW8IAVV7NBU4sWsv8m3C/OMJnAk8o28vYlB1/y2mKBE2D8BwsCiq+s+7S/D0LkBwgwTc/w9yDC0x8MEwi/bq+OrwNCUvqFvv1Uqg/uwNFAELVg0vfGEEA347VA025gDwcOsEAb+v0BU/dJ/viUHn/u5duBEw5PFwNQ+j+a4MX9TtXKDw1PAU/07fLAkeh2EwNPDj/obtd+D5V39v result_proc0003_0001 < L68La/kOdpAUsSR4Pezp4/sMyu/joLT/Pn9lBA5yeoAkwyvEQWT2JABxGEAkEFTIQwngj/o/+F8z2zGBQlf4Q+ONuC9zyZMEQBoLW/U6LY6ro+L4PnTqR/iGI87L/soGQG38a9mMdyAEvkU6Pm3PLAxvaU/z37G7Pdan4/sKFi07DsvDQUs2b/SM/Y+z4yhBQ0ReU8qrL9+DmmZHQccfw+82/e+LaBZ6Ps9O5/01787rdlNwPigxO+kBFD6zI8erPFPQ2/mol55bgQYIQZ39c9+j7s97Y0tIQAGuf/2QJb+rFJfDQ result_proc0003_0001 < LVri5/gOT7B0p1vEQQtPBAxu5YCU7GrIQP+MZA9CAcCU5tMJQGeSiAVGt3B05SJJQMZWs/8a3FC0sGJLQyGtw/s9zFDE7bHIQXypr/UVlKC0DjeBQzVz2/YbFLBE5IfLQLgez/QjfYCUtq6MQf3vn+s8KFCkiX3KQQT67+MzgEDEeFZHQvqd1/4hraDkcq0JQZLMAAt/5TDk0UyEQ result_proc0003_0001 < LLBZgA5s4CDUsMtJQluSrANLhJDUmBqKQ21czA9dS6CUrnmIQ+nhyAtH2DD088cEQf8JtAl9/4DUW3RLQkrG4ABcDCE0AoeMQDiD5A1fVwDkCHQPQfdY5A1kPaEkSPmMQfRMXAdugcD0lSbJQ4sZsAFoF3CUhDfMQZTDnAJTzBE0gyrMQDhQsAlCoFEkn2bJQYSa+Axfi2D0s7OLQowaABxWO4D0sUDQQ9FR4A5ZrNDUIkGPQzdwyApE78DkdJRQQ3XlAB1PMeEEdtcNQKiFzABnChEkED2NQK6z4AB02gEEsclKQ result_proc0003_0001 < LTRc7A5uiiC0nPiJQVbbCBVgGZCUuh1HQN/jBBZ1viB0GfaEQtAOFB9qJFBkPwrBQTfVHB967SCEqOtJQjJBJBtpy6CkXcPLQ2ozNBRXZzCEYAANQGqvPB5/AQCU1QENQ96hPBdNLRDkY3ROQM2+6A1juWCEdWaLQGJKDB5hG0CE58KFQMjiGBdPZzBkLIKLQ7LuKBBBsICUcdfIQyC9JBtqGUDEgT0JQeQrFBpfiFDUs2dMQ result_proc0003_0001 < Lq1Z5AtlcABkR8kEQE2n2ABM6q/zKcZBQfGQyANjLPAUSIx3PsgevAF3Hx+zt6ziPEgVuANw+69jEIXEQq/7xAl0vT7D3r4IQ/OtoAp9Aw6bhALKQrHk7AJ2L97b2beIQl9yzARfAbBUkz9GQo409AV/3e+jGeyAQbaOnA9l2K/TykDFQ5GIsABPDP4jxO0BQavH0AFQ1d+zy2NKQw/QrAlLF/8LqCGMQmN/hAlxCr6DMleKQBUQmA5BpU+b/m3IQ9NI+ABOll9LygZKQFtY5A1QVo+b22SGQ3xCBBhJ6c2jCILHQ result_proc0003_0001 < LPFqxAp9qiBUxZ6zP9fBtANq9BCkfUovv+jP1ApLtCC0wu58vxWy8ANHBcCEXat8vuPfoA1JkuCkR8WovAQdeAppQtCkWaczPzTf0AddFGCEV1d7PAKjmApWVZBEyHo0v/vplAFnm7CUPhq5vnatuANRSDD011NhPq7zhAVM6mC0xRO9P1CzTANmIWCETU1uPdBnWA9whJDEt4+zP result_proc0003_0001 < LYQvzAlemNBkI8YCwmkx4ARhcYB0DzmHwood0AJ8oTC0mCPJw+R25AFvImC0ER8Kwq3G3A9slIA0XohJwHejrABXYx/TJrRKw+MVnAdHmdA0kWkMwbwLlAlsbK+T7ErIwsxjZANyEPAk2OQNwnERVAFlya9T08WJwDW3MAxn02+Te3oLw2Wsv/Ue5Z+DZkUMwv6+uAV3VaA0tOwBwTwqABx9yhBULtAHwPzv7AJDbOAEXVXLwhXD6A19Eh+D7VdIwRtVsAFzDGBkSA1Nwq+foAlQFh8zCgvFwaL7SAdHEsAUzcDPwzyPLANxZk5TMPGIwKi3q/oqw/+Df5HOw result_proc0003_0001 --- > LcFbrA9V6kDUCqPKwXGllAhKpGE0LaNKwJyOcAxv6HEEIQnHwGrYeANiV3D0N5yDwkgWtAt0iZE0tNMKwAcT2AJNuXEkryIIwcwnABl6VZEUaLdJwmbUBBZgKJE0jInLw9aQGBBJvGEEcAjMwLAQwA1bGkDUor1LwOxyvAZQUiD0g8kIwmWPmApilMDEx4VKwGMsgAZKlHEUfxAMwi49oAJTRoE06MyJwrBBxAJjLbEUyKKMw/4s1ARMZIEUdiNGwdtg1A5rekEksMVFwq4uDB947WEk+Y6Hw7SHBB5DPpEkKaUKwT3M8A1J5AE0frQMw result_proc0003_0003 > LKoFNAxI0WEkI00Hw0z82/8iRXEUfLAEwRniR/QybEEElF2EwH+nQ+8IT4D07ZCBwv6Zb/gPVsEkiQiEwZbFp+KgurEEsIEBwgIE6/gSJ/EEAnADw/8yNA9IHiEUQrWJw4sGCAxgUWE0Bu8/vLKUG/wWIuEkqWVIwV5dX/K9u6E0PafBw5IRd/mmfeEEImUCwPYYE9a/ipEkkTy5vT/Ao/ou+NFUzeZDwPNYCA93S9E0COx9vyb5KAl7p/EktvpFw result_proc0003_0003 > LcPSI/oXd7DEuX7IwCI9T+m7pWDk/1lJw7bXi/aAufDE6oBMw/UBi/eOkBEE1oGNwKsXK/sxyuC071HKw2Nsz/Ud22C0kvdMwv1Cu/UgfiCE7vPHwaUkFA1iRPCkqnZNwuOej/EUlFEUQRaKw2y2W/mh+PDExMzHwDeAs8MTJUC02ysKw+YrFAVvvODUS/4LwOcyh/EjwDDEg1JOwecuAAFoRGCEjLCIwuVgP/kcebCkP5AEwLRZBAVk68CkahEGw8wDQAZaiXCkwGEPwjwB0/k0luBE+XDOwqxFPABQbCCENzwLw result_proc0003_0003 > LZjf6/esg/CE8h4MwtjiJA/daCD0ktWPwKIf3/ysoSDUT40Qwx2aA/28KTDE47uQwVSScAvJYhD0g46Ow97JSAz8yVC0yuBQwle17/yLUkCEa4yLwYQnWA7VJAEkl4SOwpGtiATFhlDUI4XQwVDdjALfeVD0U+XNwe4sbAzHPJCkHicOwzSBcAfo6WCUEx6QwuoFFAjrQ/BEqsMQw result_proc0003_0003 > L0mIGAnT2fDkuM6RwJ1Z2/SrD2DU2o/SwKK0I/yWtZDUfdoTwKtsV/m1OzCkQYzTwCCYLArpICEE5xDUwrfrbAXABTEU8BnTwWLzlADqHXEUu8uUw7xAQArpdnEkvQOTwFEBWAfaXaD0R6+RwISvm/eTKJEEmelSwqZQUAbBUoDkfZZUwf+nCAfoqIEUtK6Uwr3SiAreBNEELCwSw4+lrAbOHjEU9gaUwx59pAXSTIE01g+UwXcjhAn54cE0qSnVw2dmbArWdzE0tx5SwXZHHAjyetEUUPFUwC58EAXFIkE0t/ZSw result_proc0003_0003 > LZ/O/+0k8sD0u6+TwR2/z/EBAVDkaMhUwuN5JAdgjJD0S7aTwqrfLAlW0fD0yPaSwBuPFAZOzuD0GPnVwOhDv/Icm3DU0x1WwgGDDAJ2mIEkj74XwJsXVA56wNEUWprXwYmBz/wWPNEUszcYwUxqE/chfGEUUE4TwMnCo/8SU3C00B9UwjeZKANNwGEkmUNVwFqhTAR3vdDUIP8Vw4yHl/gdMZDE2iRXwufxE/4AZEEEiBiWw result_proc0003_0003 > LpEoVAdMtmCkaAoTwxfCiAVIIWCkSsmSw+HKsApRHxCEvkgSwULs0AJeBkCUe89SwLWAlABqFPBUHi6SwnZNXAh1MQAEr1/SwP+hfAFzNe9D13WTwPDZLAJtzOAESuqRwARgUApaTXCEAqgUwqU7bANKPXCUdGpRw4oMpARsNNBkil3TwdabqAJ8I4Akx9ISwbCSMAVpXkAE0WyTwS4KSAFm4t4T4paTwKZ0jAdIqo9DrlUUw3QXlARpSI8jk8lSwZZC8/EKSE/DtguRwjITWAtpH1/DaL4QwL6XFA5JtOBU5ZcRw result_proc0003_0003 > L5BKrAN02WD06P6RwSuP0ARKmzDU3dvRwXd36ApkYnDUgWhQwuC12ANtcTDE1ILPwrBcwApm2QEECOoRwBwhqARGpXEEkY4SwzY6jARt3fDUtAkRwLjW5A58nwDUKtnSwInT3ARPXbEk9QfRwAwDrApCYSEUepxQw8cWjAFyPQEk9o8SwFjvuA9Y2TEUywtTwg6HpAdiknEEZB5Sw result_proc0003_0003 > LM2hCB5adzD0hOiQwxGLGBdPnoDEyX5OwT7DGBdRRFEExatMwjeLKBdYnOE0TICMwSu3LBVW9iD0PX9PwyDiMBV148CUrh5Qwx9yLBxypBDkUARSwX93NBxAOVCUNBYQwcoZMBFd4eC09vGTwtneOBt95kB0XwNRwVxvNBttYuBU7xkSwASWOBdCIpAUqTaTwkc6DBZCTCEEAXURwHt3EB93fKD00jAOwsQENBVro/DEomhQwZ3nOBhsKfD0wSSOwHcvKBRk1gD0FWrSwMtcOB16dRCk+imOw4o0LBRAoiCUxdLUwK8hPBhehmA0JazQw+lbNBpHf5AEvsTUw result_proc0003_0003 52c52 < SCORE: 6.909 -24.332 4.334 10.405 0.155 1.810 -1.621 -2.127 0.000 -0.720 0.000 0.000 0.000 0.000 0.336 12.155 -0.250 0.000 6.127 0.635 .00 1.000

linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_design 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_design」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_design/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_design/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_design/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_design/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_design/out_mpi.silent and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_design/out_mpi.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_design/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_design/mpi_log_0.filt 24,33c24,33 < 3 6 0 -7.76503 2 0 3,2,1 < 3 10 0 -6.90175 2 0 3,2,1 < 3 5 0 -4.79409 2 0 3,2,1 < 3 4 0 -3.85425 2 0 3,2,1 < 3 2 0 -3.13922 1 1 3,2,1 < 3 1 0 -2.04058 1 1 3,2,1 < 3 9 0 -1.74429 2 0 3,2,1 < 3 3 0 -0.491321 2 0 3,2,1 < 3 7 0 0.166481 1 0 3,2,1 < 3 8 0 3.90897 2 0 3,2,1 --- > 3 4 0 -10.4415 2 1 3,2,1 > 3 2 0 -6.03615 4 0 3,2,1 > 3 3 0 -2.41211 2 0 3,2,1 > 3 1 0 -2.04446 1 1 3,2,1 > 3 7 0 -1.53562 2 0 3,2,1 > 3 9 0 -0.298344 1 1 3,2,1 > 3 5 0 0.575007 2 0 3,2,1 > 3 10 0 1.67621 1 0 3,2,1 > 3 8 0 1.83786 1 0 3,2,1 > 3 6 0 2.09323 1 1 3,2,1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_design/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_design/mpi_log_3.filt 71,77c71,77 < fa_atr 1.000 -17.722 -17.722 < fa_rep 0.550 4.129 2.271 < fa_sol 1.000 19.776 19.776 < fa_intra_rep 0.005 12.630 0.063 < fa_intra_sol_xover4 1.000 1.372 1.372 < lk_ball_wtd 1.000 -0.602 -0.602 < fa_elec 1.000 -4.332 -4.332 --- > fa_atr 1.000 -17.764 -17.764 > fa_rep 0.550 4.144 2.279 > fa_sol 1.000 19.833 19.833 > fa_intra_rep 0.005 12.573 0.063 > fa_intra_sol_xover4 1.000 1.367 1.367 > lk_ball_wtd 1.000 -0.599 -0.599 > fa_elec 1.000 -4.281 -4.281 79c79 < hbond_sr_bb 10.000 -1.359 -13.592 --- > hbond_sr_bb 10.000 -1.350 -13.502 81c81 < hbond_bb_sc 1.000 -5.568 -5.568 --- > hbond_bb_sc 1.000 -5.585 -5.585 85,89c85,89 < angle_constraint 1.000 0.009 0.009 < dihedral_constraint 1.000 0.001 0.001 < omega 0.400 2.039 0.816 < fa_dun 0.700 11.180 7.826 < p_aa_pp 0.600 -3.560 -2.136 --- > angle_constraint 1.000 0.010 0.010 > dihedral_constraint 1.000 0.000 0.000 > omega 0.400 1.888 0.755 > fa_dun 0.700 11.115 7.781 > p_aa_pp 0.600 -3.585 -2.151 92,93c92,93 < chainbreak 1.000 0.035 0.035 < rama_prepro 0.450 -1.527 -0.687 --- > chainbreak 1.000 0.029 0.029 > rama_prepro 0.450 -1.544 -0.695 96c96 < Total weighted score: -0.243 --- > Total weighted score: -0.231 102c102 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- -2.04058 1 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- -2.04446 1 1 111c111 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 7. New list is: GLY, GLY, GLY, GLY, GLY, GLY, GLY, GLY --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 3. New list is: GLY, GLY, GLY, GLY, GLY, GLY, GLY, GLY 137,138c137,138 < protocols.denovo_design.movers.FastDesign: (3) 7 TRUE TRUE DALA,DASP,DLEU,DARG,DTHR,DVAL < protocols.denovo_design.movers.FastDesign: (3) 8 TRUE TRUE DALA:protein_cutpoint_lower,DASP:protein_cutpoint_lower,DLEU:protein_cutpoint_lower,DARG:protein_cutpoint_lower,DTHR:protein_cutpoint_lower,DVAL:protein_cutpoint_lower --- > protocols.denovo_design.movers.FastDesign: (3) 7 TRUE TRUE ALA,ASP,LEU,ARG,THR,VAL > protocols.denovo_design.movers.FastDesign: (3) 8 TRUE TRUE ALA:protein_cutpoint_lower,ASP:protein_cutpoint_lower,LEU:protein_cutpoint_lower,ARG:protein_cutpoint_lower,THR:protein_cutpoint_lower,VAL:protein_cutpoint_lower 143,154c143,154 < fa_atr 1.000 -20.911 -20.911 < fa_rep 0.550 5.285 2.907 < fa_sol 1.000 21.479 21.479 < fa_intra_rep 0.005 18.261 0.091 < fa_intra_sol_xover4 1.000 1.462 1.462 < lk_ball_wtd 1.000 -0.984 -0.984 < fa_elec 1.000 -9.154 -9.154 < pro_close 1.250 0.000 0.000 < hbond_sr_bb 10.000 -1.471 -14.708 < hbond_lr_bb 10.000 0.000 0.000 < hbond_bb_sc 1.000 -2.404 -2.404 < hbond_sc 1.000 -1.925 -1.925 --- > fa_atr 1.000 -21.660 -21.660 > fa_rep 0.550 5.839 3.212 > fa_sol 1.000 19.975 19.975 > fa_intra_rep 0.005 14.155 0.071 > fa_intra_sol_xover4 1.000 1.177 1.177 > lk_ball_wtd 1.000 -1.080 -1.080 > fa_elec 1.000 -6.814 -6.814 > pro_close 1.250 0.000 0.000 > hbond_sr_bb 10.000 -3.856 -38.556 > hbond_lr_bb 10.000 -1.344 -13.441 > hbond_bb_sc 1.000 -1.179 -1.179 > hbond_sc 1.000 0.000 0.000 158,161c158,161 < dihedral_constraint 1.000 0.005 0.005 < omega 0.400 1.127 0.451 < fa_dun 0.700 11.461 8.023 < p_aa_pp 0.600 -1.773 -1.064 --- > dihedral_constraint 1.000 0.016 0.016 > omega 0.400 10.883 4.353 > fa_dun 0.700 13.197 9.238 > p_aa_pp 0.600 -3.104 -1.862 163,165c163,165 < ref 1.000 2.392 2.392 < chainbreak 1.000 0.008 0.008 < rama_prepro 0.450 -1.983 -0.892 --- > ref 1.000 2.565 2.565 > chainbreak 1.000 0.062 0.062 > rama_prepro 0.450 4.999 2.250 168c168 < Total weighted score: -5.220 --- > Total weighted score: -31.672 174c174 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- -3.13922 1 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- -6.03615 4 0 183c183 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 1. New list is: GLY, GLY, GLY, GLY, GLY, GLY, GLY, GLY --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 4. New list is: GLY, GLY, GLY, GLY, GLY, GLY, GLY, GLY 203,205c203,205 < protocols.denovo_design.movers.FastDesign: (3) 1 TRUE TRUE ALA:protein_cutpoint_upper,ASP:protein_cutpoint_upper,LEU:protein_cutpoint_upper,ARG:protein_cutpoint_upper,THR:protein_cutpoint_upper,VAL:protein_cutpoint_upper < protocols.denovo_design.movers.FastDesign: (3) 2 TRUE TRUE DALA,DASP,DLEU,DARG,DTHR,DVAL < protocols.denovo_design.movers.FastDesign: (3) 3 TRUE TRUE ALA,ASP,LEU,ARG,THR,VAL --- > protocols.denovo_design.movers.FastDesign: (3) 1 TRUE TRUE DALA:protein_cutpoint_upper,DASP:protein_cutpoint_upper,DLEU:protein_cutpoint_upper,DARG:protein_cutpoint_upper,DTHR:protein_cutpoint_upper,DVAL:protein_cutpoint_upper > protocols.denovo_design.movers.FastDesign: (3) 2 TRUE TRUE ALA,ASP,LEU,ARG,THR,VAL > protocols.denovo_design.movers.FastDesign: (3) 3 TRUE TRUE DALA,DASP,DLEU,DARG,DTHR,DVAL 207c207 < protocols.denovo_design.movers.FastDesign: (3) 5 TRUE TRUE ALA,ASP,LEU,ARG,THR,VAL --- > protocols.denovo_design.movers.FastDesign: (3) 5 TRUE TRUE DALA,DASP,DLEU,DARG,DTHR,DVAL 209,210c209,210 < protocols.denovo_design.movers.FastDesign: (3) 7 TRUE TRUE ALA,ASP,LEU,ARG,THR,VAL < protocols.denovo_design.movers.FastDesign: (3) 8 TRUE TRUE ALA:protein_cutpoint_lower,ASP:protein_cutpoint_lower,LEU:protein_cutpoint_lower,ARG:protein_cutpoint_lower,THR:protein_cutpoint_lower,VAL:protein_cutpoint_lower --- > protocols.denovo_design.movers.FastDesign: (3) 7 TRUE TRUE DALA,DASP,DLEU,DARG,DTHR,DVAL > protocols.denovo_design.movers.FastDesign: (3) 8 TRUE TRUE DALA:protein_cutpoint_lower,DASP:protein_cutpoint_lower,DLEU:protein_cutpoint_lower,DARG:protein_cutpoint_lower,DTHR:protein_cutpoint_lower,DVAL:protein_cutpoint_lower 215,226c215,226 < fa_atr 1.000 -25.016 -25.016 < fa_rep 0.550 9.249 5.087 < fa_sol 1.000 21.715 21.715 < fa_intra_rep 0.005 13.444 0.067 < fa_intra_sol_xover4 1.000 1.543 1.543 < lk_ball_wtd 1.000 -0.462 -0.462 < fa_elec 1.000 -4.930 -4.930 < pro_close 1.250 0.000 0.000 < hbond_sr_bb 10.000 -1.714 -17.143 < hbond_lr_bb 10.000 -1.582 -15.821 < hbond_bb_sc 1.000 0.000 0.000 < hbond_sc 1.000 -3.453 -3.453 --- > fa_atr 1.000 -25.183 -25.183 > fa_rep 0.550 6.482 3.565 > fa_sol 1.000 16.760 16.760 > fa_intra_rep 0.005 19.914 0.100 > fa_intra_sol_xover4 1.000 1.136 1.136 > lk_ball_wtd 1.000 -1.528 -1.528 > fa_elec 1.000 -2.924 -2.924 > pro_close 1.250 0.000 0.000 > hbond_sr_bb 10.000 -1.072 -10.723 > hbond_lr_bb 10.000 -1.525 -15.247 > hbond_bb_sc 1.000 -0.468 -0.468 > hbond_sc 1.000 0.000 0.000 230,233c230,233 < dihedral_constraint 1.000 0.009 0.009 < omega 0.400 7.615 3.046 < fa_dun 0.700 11.418 7.993 < p_aa_pp 0.600 -1.890 -1.134 --- > dihedral_constraint 1.000 0.001 0.001 > omega 0.400 4.884 1.953 > fa_dun 0.700 4.836 3.385 > p_aa_pp 0.600 -2.759 -1.655 235,237c235,237 < ref 1.000 1.963 1.963 < chainbreak 1.000 0.059 0.059 < rama_prepro 0.450 -4.818 -2.168 --- > ref 1.000 7.863 7.863 > chainbreak 1.000 0.142 0.142 > rama_prepro 0.450 -3.543 -1.594 240c240 < Total weighted score: -18.641 --- > Total weighted score: -14.412 246c246 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- -0.491321 2 0 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- -2.41211 2 0 255c255 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 2. New list is: GLY, GLY, GLY, GLY, GLY, GLY, GLY, GLY --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Circularly shifted residue list by 7. New list is: GLY, GLY, GLY, GLY, GLY, GLY, GLY, GLY 275,321c275,278 < protocols.denovo_design.movers.FastDesign: (3) 1 TRUE TRUE ALA:protein_cutpoint_upper,ASP:protein_cutpoint_upper,LEU:protein_cutpoint_upper,ARG:protein_cutpoint_upper,THR:protein_cutpoint_upper,VAL:protein_cutpoint_upper < protocols.denovo_design.movers.FastDesign: (3) 2 TRUE TRUE ALA,ASP,LEU,ARG,THR,VAL < protocols.denovo_design.movers.FastDesign: (3) 3 TRUE TRUE ALA,ASP,LEU,ARG,THR,VAL < protocols.denovo_design.movers.FastDesign: (3) 4 TRUE TRUE ALA,ASP,LEU,ARG,THR,VAL < protocols.denovo_design.movers.FastDesign: (3) 5 TRUE TRUE DALA,DASP,DLEU,DARG,DTHR,DVAL < protocols.denovo_design.movers.FastDesign: (3) 6 TRUE TRUE DALA,DASP,DLEU,DARG,DTHR,DVAL < protocols.denovo_design.movers.FastDesign: (3) 7 TRUE TRUE ALA,ASP,LEU,ARG,THR,VAL < protocols.denovo_design.movers.FastDesign: (3) 8 TRUE TRUE DALA:protein_cutpoint_lower,DASP:protein_cutpoint_lower,DLEU:protein_cutpoint_lower,DARG:protein_cutpoint_lower,DTHR:protein_cutpoint_lower,DVAL:protein_cutpoint_lower < protocols.denovo_design.movers.FastDesign: (3) < ------------------------------------------------------------ < Scores Weight Raw Score Wghtd.Score < ------------------------------------------------------------ < fa_atr 1.000 -21.222 -21.222 < fa_rep 0.550 8.608 4.735 < fa_sol 1.000 16.016 16.016 < fa_intra_rep 0.005 14.328 0.072 < fa_intra_sol_xover4 1.000 1.132 1.132 < lk_ball_wtd 1.000 -1.618 -1.618 < fa_elec 1.000 -3.841 -3.841 < pro_close 1.250 0.000 0.000 < hbond_sr_bb 10.000 -1.557 -15.570 < hbond_lr_bb 10.000 -1.095 -10.946 < hbond_bb_sc 1.000 -1.464 -1.464 < hbond_sc 1.000 0.000 0.000 < dslf_fa13 1.250 0.000 0.000 < atom_pair_constraint 1.000 0.000 0.000 < angle_constraint 1.000 0.011 0.011 < dihedral_constraint 1.000 0.015 0.015 < omega 0.400 3.589 1.436 < fa_dun 0.700 8.855 6.199 < p_aa_pp 0.600 -3.392 -2.035 < yhh_planarity 0.625 0.000 0.000 < ref 1.000 2.055 2.055 < chainbreak 1.000 0.039 0.039 < rama_prepro 0.450 2.594 1.167 < aa_composition 1.000 10.000 10.000 < --------------------------------------------------- < Total weighted score: -13.819 < protocols.denovo_design.movers.FastDesign: (3) #Packer_Task < protocols.denovo_design.movers.FastDesign: (3) < protocols.denovo_design.movers.FastDesign: (3) Threads to request: ALL AVAILABLE < protocols.denovo_design.movers.FastDesign: (3) < protocols.denovo_design.movers.FastDesign: (3) resid pack? design? allowed_aas < protocols.denovo_design.movers.FastDesign: (3) 1 TRUE TRUE ALA:protein_cutpoint_upper,ASP:protein_cutpoint_upper,LEU:protein_cutpoint_upper,ARG:protein_cutpoint_u

linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_lanthionine 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_lanthionine」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_lanthionine/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_lanthionine/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_lanthionine/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_lanthionine/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_lanthionine/out_mpi.silent and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_lanthionine/out_mpi.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_lanthionine/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_lanthionine/mpi_log_0.filt 9,13c9,13 < 3 2 0 14.1096 3 1 3,2,1 < 3 4 0 20.0623 2 1 3,2,1 < 3 3 0 22.1605 3 1 3,2,1 < 3 5 0 32.6206 1 1 3,2,1 < 3 1 0 36.5278 3 1 3,2,1 --- > 3 2 0 14.1446 3 1 3,2,1 > 3 3 0 27.5923 2 1 3,2,1 > 3 4 0 34.2136 4 1 3,2,1 > 3 1 0 36.419 3 1 3,2,1 > 3 5 0 45.065 5 1 3,2,1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_lanthionine/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_lanthionine/mpi_log_3.filt 18c18 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 36.5278 3 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 36.419 3 1 33c33 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 14.1096 3 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 14.1446 3 1 48c48 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 22.1605 3 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 27.5923 2 1 63c63 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 20.0623 2 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 34.2136 4 1 78c78 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 32.6206 1 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 45.065 5 1 84c84 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-2, 3-4, 3-3, 3-5, 3-1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-2, 3-3, 3-4, 3-1, 3-5. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_lanthionine/out_mpi.silent /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_lanthionine/out_mpi.silent 4c4 < SCORE: 14.110 -19.546 1.892 18.772 0.008 0.056 -0.895 -6.131 0.000 -1.254 -2.603 0.000 0.000 0.000 0.313 2.807 -7.025 0.000 10.965 16.749 .00 3.000 1.000 result_proc0003_0002 --- > SCORE: 14.145 -19.569 1.868 18.770 0.008 0.056 -0.917 -6.112 0.000 -1.243 -2.613 0.000 0.000 0.000 0.267 2.885 -7.026 0.000 10.965 16.806 .00 3.000 1.000 result_proc0003_0002 17,26c17,26 < Li7+DBXX3AFUhJHKwlzOJBreF+E0Q24IwZT4IBbocwEk8SvEwHFKLB/ABfEU2teEwmMVEBj12JFk8bwLwy5hBB3fFIFE/L0Iwy/eCBH8jyEklmmKwcG6KBXgsNFE/dZIwCu7LBz6k2EU7WUKw result_proc0003_0002 < L6xAGBDFf4EUfavAwz5OFBLSysEEFhB3vGRTBBDmZaEEvs+4vaO+7A3rsaEkPVIAwbQTDBPJ07E0sBBiPfPe4Azs5BFUJyjfP6CVEBr8EHFEJnKBwjZEJBzK/lE0rlRyvVbHEB7np0EUI3H5PihaFBfkMLF0RLoZP result_proc0003_0002 < L8JsBBj7ZKEEYYFovI5Q8A/v4vDE434pvyytyA7jm1DUVT7xPuzNsAjxeYDUj2j0PofhEB3WDLEEVw6uPuhVABvfJTD0vZ1PvHZe5AnKYrD0A6p6v result_proc0003_0002 < LnW6xA7upNEEb6z5PBkVpA3lOSEUDKsAQojNgAPwSeE0umA8PkNrQAb7CkE0erlAQrcY3AT3GZEUvjN4PL5esAvTqbEk1FAEQnSWmALaSDEEPlXCQ result_proc0003_0002 < LnXUhAPRFiEU3v3kPgHzSAbdUuEU7Axwv+HqbALcf1EEg3J/vEbwjAX/upEkEHMCwRA0nA3lVcEEp8+ovPL9NAXJQ8EECwgQPJQjEAbqkkEUhAOzv result_proc0003_0002 < L0l1VAzs2IFE3/NBwE2EdA3ukRFU2PUGw2PbnADw7hFECsgFw1bfoATDQrFE5INBw6fJMAr3wRF0j+v9vcBpPATSCZF0VBMIwuIZhAbYnEFkkgbIw result_proc0003_0002 < LK0ytATJXlFUXu1Iwr+/1AnA81FkJNzIwgrJ+ADW3xFk29LFwbicBBjFpgFU724EwrZ7sAr+PcFEylfKwMRQyA3/vCGkdEgIw0EC6Af9b2FE0zuKw result_proc0003_0002 < LD7v/ATD6AGEq9wBws8zDBnMJAGUqZ96vHmOBBjaB5FEYAnYvDHtDBr135FUAQ73PjVZ7AHCrHGUdGJCwEwtFB3s5HGk2hz5vkR8GBXRD1FUMEQ9v result_proc0003_0002 < LhGe4APD4xF00l+hv/BkyAjtsqF0/eJ4PenmmA7djpFULwwzPSL7hA3qOYFEFbSzPg6g2APytUFEbtx7PTuh4ALa4BFkrFnfPmeRDBrh17E0Av/hPMR40ATzZxFEL0e4vOy5zA/EH2Fk7um+PMCxwAX5xNFEnCrAQutE+AT0eWF0M9AAQ result_proc0003_0002 < LgWshA/NH8FUGybwPyv4MArNK9F0vcchP7hZCAbeuIGkD+2yPfKvMAP+PPGEWZs6PMkXf/yBcKGkUQouPJG3lAvL7EGEw+JyPbmhEAjSLvF0amkwPIOhLATwq8Fk56A3v result_proc0003_0002 --- > Li7+DBXX3AFUhJHKwlzOJBreF+E0Q24IwZT4IBbocwEk8SvEwzgNLB7rIfE0cLdEwmMVEBj12JFk8bwLwy5hBB3fFIFE/L0Iwy/eCBH8jyEklmmKwcG6KBXgsNFE/dZIwCu7LBz6k2EU7WUKw result_proc0003_0002 > LN68FBnbW4EkbJxAwqILFBLNpsEU4oI3vFKWBBXk7ZEEgYG5vrIK8ALr5ZE0d+OAwqSHDB/xj7E0XjBhPLQE4ADKRBFk9CjZPSFOEB321GFkgqNBwq5BJB3MLmEUK8Lyvoe4DBvjb0EUXpB5P2mLFBDZDLF01A5YP result_proc0003_0002 > LtQxBBLuBKEUt4YovMRo8ALghuDkbxcqv2Q8yA3KjzDkkGWxP+jjsAje9VDkiIyzPcpjEBnf9KEk4q7uPR/kAB/NNSDUptPRvJQ/5AbyopDEEK16v result_proc0003_0002 > LoB5xAPGmMEUHLg5PBIKpArM3QEUU6dAQYLCgAbIscEUkpb7PZ8KQATXYiEk/EQAQ4+R3A/wPYE0sT+3PE1HsA7+VaEU/9zDQxgOmAL8zBEkP+GCQ result_proc0003_0002 > LpZOhAzHWgE07xOgPHUrSAPqcsEUXXJyvRQzbAfDxzEUB6w/vXk5jA/oFoEEIbeCweywnAb8laEEe4/qv4qiNAjiT6E0nnSWvTokEAryjiEUHT20v result_proc0003_0002 > LA0CWAvpKHFkMsgBwE4fdAXfAQFEY2kGwAJXnA7U4gF05AsFwfXLoAD2IqF0hFXBw/FQMAPGBQF07CX+vvKDQAfPDXFkPCXIwgy5hAjULDFkARiIw result_proc0003_0002 > LesxtAL8zkFUw65IwO1z1AnYt1FkGH0IwHj59ArruxFUQnLFwucYBBrHpgFUpR5Ew+cEtAzR3bFkb+kKwnM5xAzriCGE0CgIwiN75AT+k2F0o4uKw result_proc0003_0002 > LsbT/A7WzAG0f5tBwU9gDBj2CAGk3qu6vVt2ABX4k4F0tovVvPEQDBPFa5F0/eK4P6856AzPiHGkl+GCw61XFBP70HGUDyc5vJLsGBj7/0FUlv88v result_proc0003_0002 > LUnx3ArZPxFkwUxivSDwxAzWupFkbJ03Pcm1lAzUYoFUec3yPA3QhAbc9WF0fW+xPijw1AXmvTFUhje7PzvH4Aj8PBF0hQnZP3gFDBzBl7EEVj/gPFrT0AfI3wF0CFp4vq+6yAX9A1F0Zzc+PZ17vAbYhMF0z8bAQhnN9AbFlVFkt85/P result_proc0003_0002 > LnT2gA7C46F02LUvPnvTLALsw7FkXGUZPrEpAA3bGIGU3IExPqXxKArLvOGU8Yw5PaflY/+owJGUBkPqP0m6kADtVEGUoXxxPy12CAj94tFUwgAvPfKQKArz66FknBH4v result_proc0003_0002 30c30 < SCORE: 20.062 -10.113 1.714 9.918 0.008 0.059 -0.164 -4.039 0.000 -3.613 0.000 0.000 0.000 0.000 2.954 3.530 -6.961 0.000 10.965 15.805 .00 2.000 1.000 result_proc0003_0004 --- > SCORE: 27.592 -9.032 1.503 10.052 0.024 0.060 -0.355 -1.116 0.000 -2.581 0.000 0.000 0.000 0.000 2.922 3.065 -6.210 0.000 10.965 18.293 .00 2.000 1.000 result_proc0003_0003 41c41 < ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]A[DALA:C-conjugated]GGGGGGC[CYS:SidechainConjugation]G[GLY:CtermProteinFull] result_proc0003_0004 --- > ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]A[DALA:C-conjugated]GGGGGGC[CYS:SidechainConjugation]G[GLY:CtermProteinFull] result_proc0003_0003 43,52c43,52 < Lw25GBJsC2+DrxEMw+72HB9MAJA0CSlJwuBqCBtqJYAk/XEIwmyZ9AR5a1AUcvNJwJKYKBBL8j+zhnBNwH3OFBBhPJ8jQIrLw/lcEBJkZ6/zSIPNwJVnKBZeAJ/jKmVIwvVxJBh9HGBUNABKw result_proc0003_0004 < Ld5rCBpUDEAE+P+Cwzy77AhFZPA0bTP/vKkC8ApAij+jSDmzv7yQCBVv7U9DMPLpvzyN7Ah+YrBkvzT7vm0huAt5oECEbo8yvpGEGBJEnY/zf9UBwvA50AB9IBAUAACCwGbl8AVmrLC0HaBBwZIqABlRZ2BETNPyv result_proc0003_0004 < LqFkyAdQz19DDdplvD9lxAtYWj4DZL/3Pp9+tA1SbB+j1xtAQqB2vABiDOAUpk1AQ+C3rAhbEk+Dgk0yvhB4rAFKbl879CV1PeSR5AVBvb6L09z5P result_proc0003_0004 < L6/zoA5Ad/6zeLmEQE/UkAVS5K+DqWlIQFziQAV1rg+DJITIQOeVIAhN+2+TfRLEQy19nA5QBh8rf/XEQUKHmARiYJ8jfdaKQFbHoAxtAEAkynwIQ result_proc0003_0004 < L30QFAdUHa+zTIjKQniGY/wUvJ+DtshKQW97Y+koFSAEnHNJQ4aC6+Q7FbB0CdAKQY/+MABaog+TsgUMQOLHG/MiAs4T2fdJQXIzA/E2e59jvhkMQ result_proc0003_0004 < LM6FG/6qiBAUjaWGQShWq/SqZFBEEtmDQvr9L/iqHaBElhc8PKpwp/2XdBCkf7PzPExxN/yVwI+z3nIFQXbvFAfayxA0U7ADQZ11q/yVl+BUVYGGQ result_proc0003_0004 < LjMVD/YEx9A0SC+6P4i7o/462NBkEOfgPiPqr/M1qWCE4PbivgVnr/Y1DxC0wCB0PIxDg/I3McA0OnbAQmmhEAFAJzAUsbXlPfY+R/ULOtA0cLEzv result_proc0003_0004 < LcTCu/UrkhCU41j7vhPGt/ATMODkcf9+vVNFNARRkfDUHXTAwmNBQApsCBE0gwjCwcqjw/MoWKCUEpkAwhz+V/M57QDkFKMDwNRAZ/UtUhD0B894v result_proc0003_0004 < LKa9cAVlcHDUPv68vwyQpA1uXYD087i7vO7UvApf2YDkkrDDwXXj2AdgA/C0La7DwjffvARrv9CkcfktvnDluA5CmECEJd/yvFoK7AhmfrBkpXS7v66AaAN3loC0WCB7vSzqoAd4F5DE5Ul4vY463At/qGDkYfkuvv4jsAlusED037QxP result_proc0003_0004 < LSGWsAdgZ2DkD5kGwajCyARLh8D01dzJwlBE6Ax7hQEU+UmJwIQH7AxUoaEkqMAHwECd/AB0OVEk3ufLwuC+lA9QjEE06nvFw+kL2AZ1DfDUv2VKwJKUsAZYnBE0pLZLw result_proc0003_0004 --- > L7Dt7+KgCr+TdGgHQrng3+EgpT9zclzJQVHW5/cffu7j1aoIQjvOJAhh+r+zg60HQPkJr/GDSI/TA0kIQW6Bk96z9JAUiD2FQigUG/aHZj8Dz7rEQDkuD/QW/J/jGXXLQ1+/F8CANU1LkjvKQ result_proc0003_0003 > LokBBARMzU97WOcIQWcQSAxc+p+bMXfFQTa6jABi8b+LlYJIQJ3uoABnfOA85m4IQZh9NAl1OxAsZ/2DQLh8m/coyFB8P1QBQNVVw/0Nv++rD5fJQ/k3SAxFd18r+45BQAV/PAJKWbBsQTWHQPJSZAFZNEBs4MtAQ result_proc0003_0003 > L4cqnA1qJ/wDZigIQ9cxxA18iD6zBL4JQmTp6AlKqV8DCjyHQcRHBB9HOm+zXOjIQsrZjARSCM9j5koHQ+ozwAdecK+jdCSLQrW+zApGXf870oCLQ result_proc0003_0003 > Lc1p5AlYUw1zUz7CQI9vAB178f6zuqe9PQ6bFBlUAo8rUhP+PECeJBZ5v977nav4P3STzAtcOI878OICQRlr9Al6Je5z23WzPgyMCBldHr+DyPI+P result_proc0003_0003 > LMW4EBNYyU/bnDjCQZTIJBRTzoAcHLaDQTv0HBlBx9BcNMuAQBUvGBpwdAC80Ns3PvNbBBNahg/bj+mEQuX4MBtRzPAskM1BQnXsJBlNryAsk+rHQ result_proc0003_0003 > LL27HBF6RhCcXA2DQUgjGBJ1nLDMqh0BQo54ABRDYMDs7XK/PP6S7AtHTwCcYhxAQdNAJBJqAeCcR/tHQ+jYJB151UDsXBb9P0g6GBVWBjDsQGCFQ result_proc0003_0003 > Lb8b/ARGrsD85Fq4PHQb0AhI72Dc2qkzPY5XwAZbuZDsKEXsv9TCvAhxcnDs1UO8vWDuCBhfl+D8R4PzPg58zA1mFMEsA1zsPpxUvA5ttzDcd4z8P result_proc0003_0003 > LegbuAxnYxC8IzQTvORfpA19STCMJxi3vXusaAhtjXCcn+Y3vAMYQAx0eVC88ICAwZUbwAhXTnCMAwH2PDTvrAx4flBcLTMzvX9gsA5JDZCc/e0/v result_proc0003_0003 > LqIqRAt0hdCcqHemPHxH1/oJCiCsMf+rPbtna/svvCC88uawvXEgh/wQt3AcAIMsvIrxn/wbjaCcLJn+PLnJn/wktFB8SeRBQ272NA9+TxAsCW2DQu0BbAN9+eCc7bY4PMrLs/w+gCDMA5ubP7lse+sQmnCszJ6/PCXm9/Y3hrC8Yn9BQ result_proc0003_0003 > LXxcC+8w8TCMKyp7vVijI/6yIzBMCvhBwrAE9/K0OQCMblSDw9h5CAv3O0CMqbnBweJkKAzC/9BckPWGwlkbk9wbI0CcnsM8vwDsY/Sem2AsbRO/vqxPv8OIKkBM55AFw result_proc0003_0003 56c56 < SCORE: 22.160 -14.755 4.777 14.143 0.008 0.043 -0.818 -2.798 0.000 -2.980 -1.169 0.000 0.000 0.000 2.587 2.812 -6.602 0.000 10.965 15.948 .00 3.000 1.000 result_proc0003_0003 --- > SCORE: 34.214 -13.788 3.735 16.614 0.012 0.060 0.408 -5.455 0.000 -5.965 0.000 0.000 0.000 0.000 5.551 9.829 -6.059 0.000 10.965 18.306 .00 4.000 1.000 result_proc0003_0004 67c67 < ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]A[DALA:C-conjugated]GGGGGGC[CYS:SidechainConjugation]G[GLY:CtermProteinFull] result_proc0003_0003 --- > ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]A[DALA:C-conjugated]GGGGGGC[CYS:SidechainConjugation]G[GLY:CtermProteinFull] result_proc0003_0004 69,78c69,78 < LAgBnAhYABEUnDRDwziLnABRvTDEmfAEwGLxnAx5g8Ck1UU9vO4UkApyUNDkGONyvhvomAxWNIE0IU1Gws8ogANVGFEEMWFBwT6rtAhgmFE0Q7XBwa5AgAdT0JDEhHKGwzsBuAJb5KDUqEeGw result_proc0003_0003 < LJmJsA5/xVC078d9voGqtA56+5BU3zzuvjDBjANhjoBUCtkmPwviiAR9qfBETHm7PPjXzAhQQmAEP9U0vSfA1AJVy9+Dz7LyPAyfuAl5LJC0Y8QCwknlyAdpwPCkoBAmPOyc7A135zA0bvM5voc1uAJKlCA0m0P8v result_proc0003_0003 < LWa+UA5mujB0gJ/wvrXHAAJArJBE6OMVvboSq/YCdJC0WT8yPEyN0988eJCEcdn1PM5fWAhXfyBUgqU8v3nLs/4fX0AUWzD2vmuDCABvWTAE9F8xP result_proc0003_0003 < LqezBAlxmoCE9V+4PdQuz/MHZKDUsB+/PhNZs/EK05CUZApFQaabL/cosNDkF3ZIQVHVRAl34oCEK4d1PWGUFAJcrkDE2ZEAQV/xL/wNFXD07bw8P result_proc0003_0003 < L7Qu//Y6RVCEzv4GQ2W81/Yaq8BERF6JQFx/OAZIsvBEzJmLQlpdgA1rc3BUA0mKQ1S4KA1xFJCEkrWEQbNZc/MMLQCEhKDLQUn1n/oAy+AUqJbJQ result_proc0003_0003 < LUc1LAxK5bBU2mJOQn8kdABTlHBU+w7PQVSgmA9AVJC01eFQQIzKjApz2tCUrCSQQzRg5/s44aB0O+3OQ2vXXAFxE3AEz78QQ32BjAtllPAEerLPQ result_proc0003_0003 < LDj1wAJPHACEgl7PQKF+4ABbhhCEAq1PQ+ZB7AtVHwCUoi+MQZpoABlamND0sJgMQXYHzAxPVCBUazzPQSVZ2AZaq8C0lehQQP6LABNWkVCUS3WQQ result_proc0003_0003 < LAZu1AtGTbCki2ELQHAJ3AB8elCELJQIQTM9/AxDWKCkdEBGQkiXEBV05GC0KlGIQkblwAFF0DCkfZmLQYYpvAJPHgC0bXYGQVZG5AlpSHDETeCIQ result_proc0003_0003 < LnLk9AJSOuBEbhbBQTd5CBBp7HBUVzH8PXUvDBZ8z7BUjwinP7bzEBp9LYB06HK1vCHZBBx6QY/jFXJ5PxAA1AVgW++jAvGyPlWYzAd7+lAEpIP0vZP21A18brB04yPAQBCpGBxUpGBE15SAQTH8DBtLTs+zRDfqPBqGCBJbXE+Dmv9/P result_proc0003_0003 < L0YQDBJKFoC0gzhrPQGzDB5CeEDkNvn0vOnKIBRiplD0Az7wvViuKBVrOmDErSxvPBSJJB9Ep/DUfbQ7vlkfCBFWz0CEWsJ6PPruEBVpqxCkQaa9v/CAABR7gUDkksm3v result_proc0003_0003 --- > L8Q/MBz0cFEULm/RwfUlQB/gboDURBZSwT7kQBDsaEDUkUXRwgMBTBbBHIDkfTTQw/iENBzqBREUkwrSwNWKOB/ZZLE0UOHRw24QJBfEi/D0EW6Rwc9nUB7E/0DUdSgSwSSXPBzEAcDkhMXTw result_proc0003_0004 > L3Z0NBHTlhC0hDsRwnGUMBXwxBC07KsQwiE7QBDmiGBU9oZQwqOtQB/xL2/TyDwQwVZaHBXk5RB0IpJRwxDOIBjMmXAkirsSwMJvMB3KBdCEQqpSwScWLBLGiSCUM6hPw+IUGBvneiA0fqYQw0wDEB7dZ+Bk8eTRw result_proc0003_0004 > L84FVB7HpnB0XKhPwPV0ZB7Cr0AEUj5OwgaSYBfyCA/zgJmNw7jnUBP2t4+jhV9LwjB/UBv42SCELQ9Ow3obcBn5qYBkHQkNwy3DcBn6hoAkbVXQw result_proc0003_0004 > L2zHbBPAeg7jiSVOw9qoZBLbEp9bCygNwQ4CXB7wiW/LtizPwDwVXB3r05AsXJ7PwHAZeBXkpR8DRafPwrK4WBjihb97M+0LwjkLdB7Ow4+bi00Mw result_proc0003_0004 > LyZgUBDQxx9Ls+zQw7xYSBLgVE/rSTCSwHBbWBjCe4+79GLTwbAZaBzr938LZDFTwFECUBDFH70TKtpQwaUtOBDDzC+bvVUSwjTXRBji+kAcbx2Rw result_proc0003_0004 > LVlYVBndULA8Z8PUw3JmZBDuOlAsdDLVwX6faBbnXD/Lh2PWwzB5ZBnzDm/LiFcXw2DlRBHqodAc2nbUwjLhYBbn3hBMq4oVw73SdBjyzvA8lsnUw result_proc0003_0004 > LT88bBve0k6bgf0VwMywcBbJFK9TXfvWwskfXBLIl9+DoZEXwVLPXBf+yUAUZn9XwzqgcBDAfw4bSM1UwvameBfWDY7zpMqXwn8hfBLb0A/zxQTWw result_proc0003_0004 > Ls3STBvINP+T2sVWwgk+NB7FHV/jFclWwRTBKBfsaa+jhXhVwyqdLBPXg07TSOmUw2LzTBzsPl7jhEmVwg6lMBDczs+zBbkXwDaLOB/ROwAUPGmWw result_proc0003_0004 > LfdBFBvKnR/j7EqVwg3ABB/Z71+TZvnUw1uWBBj3oIwz9uDUw06YCB/mx64bfr3Swr1tBB3ObbAUe/eTwf4NIBTx0XAUCTsSwbiaHB7QrRBU7BKRwhW+DBrrLIA0xCgWwcCI6AbT7H/Tg2DVw3JZ9AXt5PAEJ/tSwgPGBBzFBcBkVY3Tw result_proc0003_0004 > LoueAB7F469bS06UwDAfABzmEYAsK7fUwqZJGB3487A8lCdUwnuAKBzA9OAsV/vUwLd4GBz1cCCM6GIUwGrl/A7mJC97464VwZoH8Ab4r9AcQBMVw2fS9A/kcdA8P7gTw result_proc0003_0004 82c82 < SCORE: 32.621 -10.322 2.600 10.847 0.008 0.060 -0.398 -0.343 0.000 -1.384 0.000 0.000 0.000 0.000 4.556 3.157 -5.430 0.000 10.965 18.306 .00 1.000 1.000 result_proc0003_0005 --- > SCORE: 36.419 -11.539 2.251 12.169 0.003 0.006 -0.538 -2.882 0.000 -4.014 0.000 0.000 0.000 0.000 7.292 0.362 -5.129 0.000 10.965 27.472 .00 3.000 1.000 result_proc0003_0001 93c93 < ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]A[DALA:C-conjugated]GGGGGGC[CYS:SidechainConjugation]G[GLY:CtermProteinFull] result_proc0003_0005 --- > ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]A[DALA:C-conjugated]GGGGGGC[CYS:SidechainConjugation]G[GLY:CtermProteinFull] result_proc0003_0001 95,104c95,104 < L/fTJ/kBW2AkEpBXw5IhI/wIkeB0kctVwPt7//QlXYBkTmCVw9fXQA9CDRBk2mtVwHUYh+qaV7AEqPcXwB4Mq/sFjTBke3mXwufvY/sGDx/jIp7WwHpSs+gaxQCEA0zVwFXg89S1x/AUxYFVw result_proc0003_0005 < LwqEAANHWbBkantTwbZ5TA9ptVBEKw8SwTiFSAh1zCCk/JoRwrWGUAldwfBEVijQwQayZA9TFx/Tq+sSwjW1EA9zke9zqv+Rw7oHk/8FrhBkQDOTwS9RgA5R0zBkVGiTwl0tjA93kq/zQoASw52KeA5nK0+Tx+pTw result_proc0003_0005 <

linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_nterm_isopeptide_lariat 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_nterm_isopeptide_lariat」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_1.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_1.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_2.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_2.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/out_mpi.silent and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat/out_mpi.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_0.filt 7c7 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 2 job(s), the last from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 4 job(s), the last from node 1. 9c9 < Summary for 2 job(s) returning results: --- > Summary for 4 job(s) returning results: 11,13c11,15 < 3 1 0.98194 -0.544437 2 1 3,2,1 < 3 2 1.0833 3.2925 3 1 3,2,1 < End summary for 2 job(s) returning results. --- > 3 1 0.958823 -1.65143 3 1 3,2,1 > 3 2 1.78043 8.90319 3 1 3,2,1 > 3 4 1.13118 10.3317 1 1 3,2,1 > 3 3 2.40955 11.2832 1 2 3,2,1 > End summary for 4 job(s) returning results. 15c17 < PNear: 0.0208821 --- > PNear: 0.0252886 17,18c19,20 < Keq: 0.0213274 < -kB*T*ln(Keq): 3.84776 --- > Keq: 0.0259447 > -kB*T*ln(Keq): 3.65179 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_1.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_1.filt 9c9 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 2 job(s), the last from node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 4 job(s), the last from node 2. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_2.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_2.filt 9c9 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Intermediate manager process 2 has received a total of 1 summary set(s) for a total of 2 job(s), the last from node 3. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Intermediate manager process 2 has received a total of 1 summary set(s) for a total of 4 job(s), the last from node 3. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat/mpi_log_3.filt 33c33 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 0.98194 -0.544437 2 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 0.958823 -1.65143 3 1 58,59c58,63 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure failed. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 jobs attempted. 0 jobs returned solutions. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure successful. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Setting up isopeptide bond from N-terminus to residue ASP6. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Result RMSD Energy Hbonds CisPepBonds > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 1.78043 8.90319 3 1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 jobs attempted. 1 jobs returned solutions. 83,86c87 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure successful. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Setting up isopeptide bond from N-terminus to residue ASP6. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Final hbond count is 0, which is less than the minimum. Failing job. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure failed. 111,112c112,117 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure failed. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 jobs attempted. 0 jobs returned solutions. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure successful. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Setting up isopeptide bond from N-terminus to residue ASP6. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Result RMSD Energy Hbonds CisPepBonds > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 2.40955 11.2832 1 2 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 jobs attempted. 1 jobs returned solutions. 140c145 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 1.0833 3.2925 3 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 1.13118 10.3317 1 1 144c149 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 sent job summaries for 2 job(s) to node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 sent job summaries for 4 job(s) to node 2. 146,147c151,152 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-1, 3-2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker proc 3 sent 2 structures to node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-1, 3-2, 3-4, 3-3. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker proc 3 sent 4 structures to node 2. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat/out_mpi.silent /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat/out_mpi.silent 4c4 < SCORE: -0.544 -19.177 3.614 15.942 0.066 1.393 -0.413 -4.556 0.116 -2.238 0.000 -0.658 0.000 0.000 1.011 7.753 -0.432 0.000 -4.092 1.129 .00 0.982 2.000 1.000 result_proc0003_0001 --- > SCORE: -1.651 -19.139 4.060 15.856 0.066 1.369 -0.411 -4.560 0.107 -2.244 0.000 -0.676 0.000 0.000 0.883 7.659 -0.996 0.000 -4.092 0.469 .00 0.959 3.000 1.000 result_proc0003_0001 16,24c16,24 < LIZUODVlJmEs9G9mQxmlODB2hrEsA6LnQfRdOD1MstEcStinQcFLODRExnEsxZnnQ43wOD54YAF8zMFnQXeDPDp+mDF8jOSnQI4hODNuYTFMYvHnQVVFODxOokEMSxCnQCWxOD1JoeEstqLnQd21ODN0N/Es6h0mQjDPPDB0mIF8BdJnQ5GqODt++hFMB7CnQMzTOD5kERF8mt9mQy9cODd6uUFsEaYnQ result_proc0003_0001 < LtrqODlfN2E8T1wnQPhlODt0P3Ec4xDoQMbRODJ4eEFM+tFoQhaQODh3PXFcQxCoQbQ4ODxFcAFcJDKoQX04ODB0H8EsesrnQVZiODtlBnEc1kGoQAK0ODFGHBFcLhSoQBRGPDpBS2E8R9IoQQy7ODt8fQFMCLHoQ result_proc0003_0001 < L0cBODFNm6E8asKoQcBuNDd+5FF86zNoQhaeND5VjHF8PfEoQSbNNDxhVRFsGcFoQqZjNDNnm6EM3IXoQiDcNDhMTmEcuHUoQNzCODd41qEsCXMoQqXyNDtdEWFMUSQoQQCWNDRmMEFsiBaoQ3xuNDp2D5EsWsdoQbBbNDRcjmE8SdMoQ result_proc0003_0001 < LmRkND1E79E8782nQDsWNDhcF+EMW/jnQSeiNDdoXHF8EyQnQOr1ND9B6DF89FOnQUzONDx9enEs05enQfEANDJL7dEM7yvnQCA4MDxk9HE8ZFpnQacpMDVQm8D8aC6nQhahMDR+mRDchrznQlgyNDl1S2E8yX2nQw2INDFzOIFsTLnnQ8ecND9L0cEc6EdnQBMGNDpSmnE8FvPnQrZyMDxVfoEMaQynQgsIND1OccEs03+nQElFND50m6DsbgmnQbIvMDdoVJEcbIanQQ0bMDd90IE8Ls8nQDMyMDJdm5DMphEoQY2XMDdd6FDcuU/nQT7tMDFUn9CcwdxnQ0AZMDBbEUDMr7lnQ result_proc0003_0001 < LE3WNDphLTF8MdDnQWhgNDpSaeFM5bxmQ7skNDt4PPFMX0emQlvaNDRlCRF826NmQppPNDRxQvF8WwrmQf86MDFtElF81xxmQy4/MDd39YF8hAGnQQsWNDh2eTFMaVDnQofvNDlxAmFMRt2mQWmQNDFaMzFsGoamQvxSND51I+FsEo0mQMV1MDtnlaFslzkmQVkuMDFrXxFc8F0mQDw1MDdwmKF8q4GnQHH9MDBvYjFMw6TnQ result_proc0003_0001 < LZfzNDFHUAF87AimQZq5NDNCYxEsZMRmQ0kIODpx77EsLEBmQtQTODZwtLFMWCGmQthEODFCpdEcRzamQD/XODVcMjEcyXomQCbUODRBKmE8pH9mQ8LpOD1ljkEs6pfmQDp6NDlLS/EMEewmQ2QrNDB4QsEcfxImQfiJODtl7SEsh+NmQgG5ND168UEc7tkmQ result_proc0003_0001 < LlOJOD1jIzE8WutlQz3XOD9vy6EsnQdlQ/TuODVp4xE8llglQmAxODJX/fEMIXolQepPODVSy0E8dAHlQiA7NDFXAAFsXiAlQMN0NDBvt5EMyBqkQhmfNDR17EFcrhjkQjlYNDZjs+EsTpNkQvU/NDth0mE8yVqlQZ0YODhoLMFsLWelQ61MOD5SljEcLSGlQcybOD1jn4EcSF7kQiV9NDdhSRFcQJBlQcUuNDpZv7EMCtLlQEwxNDFzcoEc2SpkQQyAOD12/9Ec+uekQa/hNDlFMWFsB9jkQH9SNDdK5AFcS1ukQk5KNDZWdGFMw8JkQ6BWNDRUvuEsFJNkQuDkNDpRpCF8O+CkQ result_proc0003_0001 < LhY+ODJYe+EcBqalQtkUPD9JX3E83vblQjRZPDJChmEMhxKlQx0OPDhT0lEs7F6kQoLhPDly/LFcSvXlQbxSPD5iEZFMk8JlQbr8ODRcnUFsmcSlQgm+ODBii+EcQlalQO1XPDdwAxEcg1rlQzhwPDNwQIFcV+PlQ87kPDR80TFMBDnlQSnUPD9KZUFMGF5kQzIXPDVoFqFsgALlQr/wOD1qxVF8eVFlQG34ODBBIgFMBNflQ result_proc0003_0001 < LzDpPDBR9YEM+HPlQlfwPDBLXJE8uc/kQRZHQDhSCOEszi4kQ2FUQD19pWEM/4ElQFQNQDpjTJEcZ4mkQS0uPD9YVlDMIfIlQvDYPD5CTWD8J2LlQ4KNPD1gVhDcfYelQAFOPD9Ze9C8OZ8kQlY4OD1kmTDc4chlQ5S5ODxlvvCMmd/kQqduODxYu6CMx5RlQvwZODVADtCcX9UlQxFwPDh4dZEMoqdlQhXmPD5RfKEscSxkQuI3PDhKvjD85zXlQfs2PD5s/ODclq9kQ/AVPDJW20Ds4hqlQOoWPD5C10CMk0tkQL1vOD9gRcD8wAwlQecxODNIQcC8xTzkQTlUODVSl3CsibilQ result_proc0003_0001 --- > LgOUOD5OknEsX28mQ0XlOD5SMtE8joLnQ5SdODlW9tEcaninQNWLODVMSnEsdOnnQidvOD5h3CFMirFnQ0MCPD5pYGFMlbSnQ/ofODtE+UFMAdJnQGBFODFTAnEsASCnQrvxODNp7gEMyrKnQNF0ODJztCFse30mQcPNPDNyiMFsusJnQyCnODtTKkFM4JFnQxcRODZAcSFMBp/mQBFbODRHTVFsSRanQ result_proc0003_0001 > LxpqODdvI2EMb/wnQiblODRwk2EcI3DoQejRODFHCEFcJ+FoQu7QOD59AXFsJXDoQ+R4ODpjD/E82SKoQey4ODtNN8EMzCsnQhAiODtyPmEc+ZGoQoI0ODRSS/EM6wSoQqHGPDRju0EcdEJoQwG8ODxAOPF8uqHoQ result_proc0003_0001 > L6UBODF/F6EMbtKoQLBuNDRlgFF8f6NoQqeeND1GtHF8ylEoQ/gNNDdUfRF8NpFoQyNjNDhM+5EMdHXoQ8nbNDp44lE854ToQPZCODdHOqEcPIMoQ0iyNDdThVFcTjQoQg9VNDVinDF8eFaoQ8iuNDRXB4E8hqdoQTnaNDl4dmEctOMoQ result_proc0003_0001 > LuXkNDJwi+EMM72nQ+lWND96v+EsdGknQmWiND5ZlHFMwqQnQBh1NDte7DFsC9NnQXOONDFxPoEM9WfnQ4e/MD90KfEMYgwnQo62MDF8SJE8IIqnQuWoMDB6GAE8sV7nQo1fMDpmaVDclT1nQ8wyNDV3P3E8JE2nQZ/INDdcMJF81TnnQirbNDV7SdE8ghdnQndFNDZeWoEcqRQnQIDyMDB0BqEs5+ynQzOINDd3rdEstg/nQbQENDxNs8Dc1hnnQu6tMDZfrKEMMQbnQ29aMDho7KEcFB+nQpOxMDhAN9D80IFoQSSWMD9vWKDspjAoQJIsMDNk4ADckEznQMUXMDR+5XDsmonnQ result_proc0003_0001 > L1wWND1vOTFsYLDnQDdgNDlDPeF8NCxmQvkkNDFG3OF8+kemQUXaNDZOSQFc3yNmQ4oPNDBTFvFsqLrmQE66MDV4DlF8IZxmQb1/MDd1QZFcszFnQikWNDZngTF8lHDnQIdvNDV01lF8+N2mQnjQNDVeyyFsFAamQh2SND1xD+F8d2zmQhP1MDtxYaFMLmkmQrkuMDRvbxFMkhzmQHk1MDZPBLF8M/GnQxO9MD178jF85iTnQ result_proc0003_0001 > LDmzNDNWKAFMAyhmQry5NDZyHxEM3DRmQ3rIODZSm7EsF3AmQcbTODVNXLFsowFmQQsEOD1JedEMIzamQ9EYODBFKjE8waomQSOUODFSknEcs28mQIfpOD9xUjE86AgmQI66NDFwY/Ec7KwmQsZrNDBa7rEMNrImQryJODVLuSEcvCOmQqQ5NDdPyUE8gtkmQ result_proc0003_0001 > LaQJODdzvyE8litlQf4XOD1HU6EcIBdlQiTuODxdWxEsUUglQB+wODNGefE8rIolQmlPODx9Q0EMazGlQw+6NDtEj/E8mVAlQ7G0NDRnN5EsL3pkQbifND1zfEFMVXjkQIdYNDx+N+EMFhNkQUT/NDZZdmEctNqlQf4YODpBtLFsODelQZtMODxkEjEsRJGlQ9tbODRaA4EMx16kQVY9NDZv0QF8p4AlQ+SuNDJtX7EcviLlQJlxNDJM9nE8HMpkQsrAOD1Ea9EM7hekQ5/hNDlgvVFM6ujkQW5SNDlviAFsStukQvyKNDFoBGFco0JkQQ1VNDFVRuE8YENkQB7jNDdiFCFc0zCkQ result_proc0003_0001 > LfZ+OD1I49EcCUalQjkUPD1Pt2EcdYblQRNZPD9p1lE8aaKlQqvOPDBkKlEMSv5kQnOhPDpmTLFsDWXlQ/1SPDxvZYF8/iJlQTv8ODBL+TFsBCSlQbq+ODxp79EcHRalQQ1XPDF9WwE8FerlQ6jwPDJnhHF8ykPlQvAlPDRKJTFsIpmlQNsUPDlkuTFsgr4kQpOXPDReapFMenKlQ2ExODhOEVF8Y5ElQN54ODdMifFMyuelQ result_proc0003_0001 > L68oPDxyOYEcpwOlQaSwPD9SkIEc2G/kQn5GQDNXmNE8Ki3kQQvTQDJUpWEM7aDlQtYMQDpMvIE8cylkQ7TvPDFn8jDsofIlQizYPD1QEUDsKhMlQaUOPD1Q6eD8DUflQ5pOPDxkq6CMqa9kQ3w5ODNAaQDMR/ilQiG6ODZcKsCc1FBlQ5qvODp182CseyTlQqMbODVVgoCMvcXlQTBwPDFIwYEcGSdlQdxlPDdlSJE8KNxkQGB4PD5fIjDMlnXlQDK3PDZioNDMwo9kQFTWPDFO4yDc1LrlQ34WPDZ/KyCM/oukQrhxODlJ7YDMKwxlQhHyODx1NYCMpN1kQRSWODJQAzCcuBllQ result_proc0003_0001 28c28,52 < SCORE: 3.292 -21.159 5.755 16.647 0.069 1.414 -0.538 -6.985 0.366 -2.547 0.000 -0.615 0.000 0.000 1.115 10.500 -0.891 0.000 -4.092 4.253 .00 1.083 3.000 1.000 result_proc0003_0005 --- > SCORE: 8.903 -29.851 10.643 24.437 0.063 1.325 -0.984 -5.682 0.609 -2.665 0.000 0.000 0.000 0.000 1.945 14.180 -2.153 0.000 -4.092 1.127 .00 1.780 3.000 1.000 result_proc0003_0002 > REMARK PDBinfo-LABEL: 1 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 2 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 3 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 4 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 5 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 6 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 7 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 8 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 9 PEPTIDE_STUB_EXTENSION > ANNOTATED_SEQUENCE: T[DTHR]A[DALA]SKPD[ASP:SidechainConjugation]KPY[TYR:CtermProteinFull] result_proc0003_0002 > NONCANONICAL_CONNECTION: 6 CG 1 N > L/NWODdO+YE8/T/mQPhTOD1BrOEcZEUnQyKWOD1KreEsnQmnQRCNOD978bE8yf3nQphjODdpU4Dcv7WnQs84ODlTQEEcZpVnQePgODhulWD81sFnQ4IlODByLcEc//5mQYXDOD5cJIEM38UnQBPhODNxtpDccmmnQ5k+ODlBGGEsy0jnQ3rrODBLr8Cc3+HnQdBQODxG9JDMRwGnQXqiODp77kDcMA2mQ result_proc0003_0002 > LMuiODV1XvEMWUinQtdqOD9wM9EM+bznQjwYODF8xLFsYr7nQ8mYODV89eFs6O3nQea9ODxYaKF8vvrnQvAnODNckyEcbETnQtovODtnEzE8KVAoQ2ADPD5ypUF8Jt4nQYTKPDJ5w/E80xmnQih4ODBVSUF8JQenQ result_proc0003_0002 > LV2JOD9JkCFsp2DoQb62NDtVMOF83ZHoQtPkNDBb0KF8bg/nQZ4UNDZJJXF8Ee/nQ3owND96FHFcikSoQvaqND1djxEcxoSoQhrLODRyGzE8cBGoQEs6ND5vOfF8hlHoQuhjND1GBRFM8dVoQoG+NDlpXJFM++XoQc7zNDFxVqE8UzNoQ result_proc0003_0002 > L4qlNDdRD6EcDhynQHyVNDtTB2E8p6hnQr5YNDJv9EFcv6OnQyMoND5eWRFc/OOnQQ0WNDJVteEMyianQ4zFNDdFSQEcTXknQEhKND14wLEcK07nQcP6MDBPt4DcNqCoQTL+MDxxzwDM8OOoQAFyND5V1vEMyL0nQH8FNDZdE5EMxjonQEcmNDVICYEsngenQbEVNDFMAeEc8MJnQ9QFNDFiKBEslqbnQvN2MDxw9XEMLFjnQBIKNDhataEMRaCoQIcaNDl/zEEspU9nQC+6MDNMUaDMy08nQuMqMDpq6CEM0sBoQMEzMDlSRcDs6ERoQdP9MDlsXGEM6RSoQO5MNDFmDkDcmNPoQ result_proc0003_0002 > LvTKNDxfuDFshg/mQcnKNDBaHSFMjJtmQcogNDl7mSFcJtimQHwmNDddgiFMg0YmQcw5MDlfZIF8mPemQqSpMDNGh/EsVCtmQpA2MDxyF2EMRM/mQShJNDxUYDFM2T/mQF4FNDptPiFs2WymQnHBNDx5F8EMkCUmQZVzMDJ3yUFswhTmQ+dfMDhqhzEM5skmQIXeMDxpQMFMcUymQHm5MDpuNlE8lt7mQo2sMD5Yi3EcwJOnQ result_proc

linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_nterm_isopeptide_lariat_tailless 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_nterm_isopeptide_lariat_tailless」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_1.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_1.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_2.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_2.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/out_mpi.silent and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/out_mpi.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_0.filt 7c7 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 4 job(s), the last from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 5 job(s), the last from node 1. 9c9 < Summary for 4 job(s) returning results: --- > Summary for 5 job(s) returning results: 11,15c11,16 < 3 1 3.27378 3.23098 1 1 3,2,1 < 3 4 3.89535 17.692 1 1 3,2,1 < 3 3 3.81793 21.595 2 1 3,2,1 < 3 2 3.88554 525.7 1 2 3,2,1 < End summary for 4 job(s) returning results. --- > 3 1 3.27233 3.28244 1 1 3,2,1 > 3 5 3.91013 5.11356 1 1 3,2,1 > 3 3 3.6006 11.0346 1 2 3,2,1 > 3 4 3.56705 27.3919 1 1 3,2,1 > 3 2 3.62663 103.746 1 1 3,2,1 > End summary for 5 job(s) returning results. 17c18 < PNear: 2.40725e-19 --- > PNear: 2.15436e-19 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_1.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_1.filt 9c9 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 4 job(s), the last from node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 5 job(s), the last from node 2. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_2.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_2.filt 9c9 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Intermediate manager process 2 has received a total of 1 summary set(s) for a total of 4 job(s), the last from node 3. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Intermediate manager process 2 has received a total of 1 summary set(s) for a total of 5 job(s), the last from node 3. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/mpi_log_3.filt 33c33 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 3.27378 3.23098 1 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 3.27233 3.28244 1 1 62c62 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 3.88554 525.7 1 2 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 3.62663 103.746 1 1 91c91 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 3.81793 21.595 2 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 3.6006 11.0346 1 2 120c120 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 3.89535 17.692 1 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 3.56705 27.3919 1 1 148,149c148,150 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Final hbond count is 0, which is less than the minimum. Failing job. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 jobs attempted. 0 jobs returned solutions. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Result RMSD Energy Hbonds CisPepBonds > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 3.91013 5.11356 1 1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 jobs attempted. 1 jobs returned solutions. 152c153 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 sent job summaries for 4 job(s) to node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 sent job summaries for 5 job(s) to node 2. 154,155c155,156 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-1, 3-4, 3-3, 3-2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker proc 3 sent 4 structures to node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-1, 3-5, 3-3, 3-4, 3-2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker proc 3 sent 5 structures to node 2. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/out_mpi.silent /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/out_mpi.silent 4c4 < SCORE: 3.231 -22.713 5.608 17.251 0.071 1.907 -0.882 -0.898 0.179 -1.033 0.000 0.000 0.000 0.000 -0.121 9.742 -1.401 0.000 -4.092 -0.386 .00 3.274 1.000 1.000 result_proc0003_0001 --- > SCORE: 3.282 -22.619 5.570 17.218 0.071 1.909 -0.870 -0.889 0.183 -1.044 0.000 0.000 0.000 0.000 -0.151 9.733 -1.407 0.000 -4.092 -0.330 .00 3.272 1.000 1.000 result_proc0003_0001 16,24c16,24 < LQTtODtqvPEcSsrmQdK4OD51cdEMXI7mQgytOD1L5bEsSIRnQEbbODFxEVEcLKTnQLO4ODhT70EMrpzmQcyEPD9DkBFMxFCnQWihODhQt9Ec06ymQR/dODtJYLE8ucumQOtIPDJSHYEs6l8mQRR/ODZn81EcBvjmQIT8ODltRFFsLWOnQ94hODdtTOFMFmtmQN/XOD5mP0E8C0nmQVdaODxq38Esp0CnQ result_proc0003_0001 < LVq5OD1WQiEc7khnQa0wODthHkE8WF3nQCldODFvEzEsCc3nQgteODNgJFFcasvnQC4BPDlu5rEMwTDoQoNJPDBV5lEMiHfnQhZrODpTUUEMcG8nQ2B7ODZgNtE8VTLoQrHPPDhqjgEcUcDoQNtHPDBPg7EsWwAoQ result_proc0003_0001 < Lp6LODVvbrEcFPAoQzo4NDZYZ4E82SBoQnPqND9oC2E8BEvnQyGYNDB/t9Esz6unQFesNDR9DyEMKTLoQ9klND5wwcEM+sKoQ91LODlPQcEccADoQTW9NDJlJJF859BoQOteNDRsk8EcoTMoQEu2NDtbI0EsRRSoQQWcND5m+bEcxkEoQ result_proc0003_0001 < L2byNDVSYrE8HmenQPjmND9LfoE8zuKnQj7lNDRvG9EcAw9mQVfyNDF5yLFMAjBnQoXwNDtAdWEcua9mQ6uuNDVWYAEc9mHnQbe4NDFKkeD8CS5mQFS2NDlVRyC8pJDnQku/NDlHeQCcqS1mQxRBODdeHlEsx3fnQNHWND1eLkEMQsOnQYQBODpM0ZEMOn6mQzgoNDVrwVEc/2tmQV9dNDxpB5D83dKnQgF3NDhuZAEsO6WnQiZJODRHelD8Ux2mQzcwND5lyeD8JzpmQGblNDNlFrCsSsFnQhU+NDV8qxCs7nSnQQ99ND1lSnBcAZ8mQPdPODpXfWCcaEzmQfM4NDRITQCsx/mmQ result_proc0003_0001 < LgPXNDxjG+EceaumQDbVNDR/oQF8qXgmQOoqND1DfVF8IYVmQj34NDJ95HFMEgUmQzRENDZTtJFM/RQmQiz2MDpLN6Es3ZcmQhhGNDV7ytE8eypmQXMXNDNd29E8FcumQuAQNDxdgeFcswpmQh3LNDZaiCFMMHCmQIO7MDlDvXFM6tKmQI0tMDdk9vEcORRmQx6qMD59yCF8jImmQU2MNDRaTgEMHbgmQKj+MDV6BoEcXY4mQ result_proc0003_0001 < LlosNDZB7oF8LANmQflAODZiEwFcTQDmQD/HODNalgF828xlQq9aODpfjfFMHyslQv/9NDJbSDG8g95lQ+swND1bqDGMAwllQqj6NDVE5CG8B7RlQbqaNDhzxEGcuCnlQoauNDx/ODGMod/kQghONDxuHFG8elUlQ6UYNDtnWEG8G3AlQBPMNDhdsEGseeukQwAgNDpVAzFsnZNmQC7MODFzgwF8MlPmQXuNODN/nGGMzY2lQ5e2NDp1dIGcVzFmQf4LODp9ACGMA6QlQw6SNDREYFGM4n2lQCK2ND9NoCGc14vkQiM9MDJa/FGsimVlQtdVNDVgGEGsDQikQ result_proc0003_0001 < L744ND9njUFslCplQMs9NDdwtFF8dsXlQipQODhQd3E8dSdlQSxSODFwKwEcodvlQiGqNDdVA4EcheSlQFaXNDJcYEF8w7IlQiuENDdpo1Es20DlQr/xMDRf/BFsuY6kQpgfMDx9yzEsJh1kQlspNDtZuVF8/aulQm9BODhL9OFcjhJlQqdkNDJHJwEcj/glQgluNDZ2grEcHKHlQejcND5QUMFMMR6kQ+GSNDROjQFsIPUlQYe/MDBnntE8baSlQ+1JND9ggpEcpY4kQwC3MDlS4JFMXsrkQM1sMDN8POFclqFlQrcTMDNTl8EMtTvkQrfaMD1SnsEM4GDlQLBkMDlwioE8Z1qkQ result_proc0003_0001 < L3ZeODpFizEs7jNlQ6UxODNoSmE8H2QlQwgrODRWCRE8kQblQ6dbODhYGHE8ynVlQu45OD1jKjEsyF6kQPxzODpVO3EM1uukQc4dODNAh8EMRS3kQvneODBbxzEM1MNlQM58ODdiFvEMqxalQ3uyODNWyUE8+4ykQrSLPDptlgE8dg6kQqyzODhfm0EcAVdkQpj/ODBj4DFMt+xkQhpRODp7i0EMSdtkQvkbODdo9NFsXI3kQ result_proc0003_0001 < Lhp4ODF4IKE87eqlQru0ODZTasD8281lQheJPDR3+TDMVv5lQgkaPDJfGnDsE17lQYSJPDRlotCcAu6lQuupOD18S1DMGYLmQ3/2ODlj1IE8TFamQ/TtODxMwPEMssrmQjMJPDVb5MEcl+UmQ6rFPDxi7SE8VNulQsNqODVtbYDMUQslQgkmODhjHXDcfiTmQqWaODVuYCE8PiImQ result_proc0003_0001 --- > LfftODtJnPEsBvrmQuV4ODVvVdEshK7mQj2tODNT7bEcpHRnQfabODJLSVE8IFTnQUi4ODNAy0EsIlzmQGEFPDNwbBFcgCCnQC5hOD1bp9Ec3qymQUOeODpZILE8djumQi2IPD9A8XE8vu8mQ4r/ODp8s1E8+sjmQsh8ODBBNFFMqPOnQ6ViODhPOOFsgRtmQ3XYODV/K0EcFjnmQmtaODpN68EcIiCnQ result_proc0003_0001 > Lat5OD5lNiEc2mhnQ/0wODtIDkE8YG3nQKodODdnDzEsvc3nQezeODFwHFFMEsvnQ53BPDxGwrEc9VDoQvRJPDR6zlEMGMfnQtWrODBIQUE8bE8nQ2/6ODVuCtEMMVLoQjFPPD1tXgEsjeDoQcwHPDNWW7EsF0AoQ result_proc0003_0001 > Lt8LODhHerE84PAoQSt4NDhSf4EMxTBoQiQqND9cG2E8uIvnQkFYNDBxs9E8KEvnQ0ksND5SQyE8wVLoQOolNDR69cEcjyKoQg1LODx1ScEshBDoQpd9NDFCPJFMj8BoQ61eNDBnz8EcJWMoQX32NDdWW0EM0SSoQvXcNDxTKcE8ErEoQ result_proc0003_0001 > LLcyNDB/frEMBoenQZgmNDVMmoEctyKnQq4lNDRpM9EcKy9mQLgyNDl42LF8JgBnQNRwND58hWE8ye9mQQquNDxteAE8YuHnQpW4NDNsseDM3Z5mQLQ2NDlxdyCcGXDnQTq/ND1qmQC83g1mQ4TBODxsSlEsD2fnQkEWNDtUUkEc8yOnQZJBOD1S4ZE86m6mQwWoNDpuzVE8+8tmQN5dNDRoP5DcOpKnQ8D3NDJFiAEc9/WnQeQJODJNplD8ey2mQoPwND5iyeDMx9pmQdalNDxDPrCM7/FnQkX+NDZQAyC82ySnQB99NDlNpnBs/q8mQ4XPOD1vqWCc7MzmQrD4NDBdTQCsbQnmQ result_proc0003_0001 > LYIXND5rN+EsygumQcUVND9SuQFMhbgmQ4gqNDNRgVFMyYVmQtu4NDdi5HFcdhUmQeIENDBUyJFs3YQmQBp2MDZkW6EMAlcmQkWGNDJT7tEsL9pmQ+DXNDR+89Ec9jumQ38PNDBxneFMLzpmQorLNDZmjCFcpOCmQcG7MDlc0XFcGzKmQDmtMD5BHwE8LfRmQTzqMDBEADFsIUmmQtoMNDlLagE8UmgmQxY+MDJiMoEsQk4mQ result_proc0003_0001 > LUisNDxk6oFsQ9MmQCfAODFiAwFMaKDmQL2HODhMdgFMt5xlQR0aODJ/YfF8ktslQS69ND9hPDGMDz5lQFlwND1+lDGMCnllQ5Y6NDBzwCGsQxRlQJjaNDZvvEGc77mlQpNuNDZTFDGcOV/kQAYONDlPEFGcDgUlQkIYNDZVPEGM4wAlQdAMNDdwjEGcnZukQd7fNDRIBzFcBWNmQh1MODpeewF8TePmQGpNODx8jGGs7K2lQ6b2NDxlcIGsinFmQQtLODN02BGshuQlQu1SNDNAZFGsth2lQz61NDlhbCGczvvkQhD9MDFz9FGc0iVlQSNVNDt76DGMYKikQ result_proc0003_0001 > Lju4NDVaaUFsVDplQZf9NDhpgFF84vXlQlhQODxyV3EcxTdlQUuSOD9KFwEcGfvlQB7pNDVlt3EMMsSlQOJXNDly+DFs9KJlQXfENDpgJ1E8+NElQHrxMDdhZBFsrz6kQbNfMDBwHzEMiG2kQxipNDdLnVFM5culQOqBODR8sOFs/gJlQBYkNDV85vEcaRhlQLZuND5VLrEMhaHlQwMcNDNI3LFsec6kQz2RNDd9LQFcEcUlQNV/MD9vLtEMf3SlQCmJNDhC/oEc6z4kQCo2MDxfOJFsLDskQshsMDxosNF8HDGlQyFTMDNp17Es/5vkQISaMDVj/rE8JwDlQ4sjMDl80nE8EdrkQ result_proc0003_0001 > LZQeODhTdzEcQjNlQBPxODtXSmEc+yQlQahrODxEBREs+OblQZgbODJ4AHE8goVlQGw5ODxkLjE8bB6kQ7gzOD97M3E8YqukQgndODhDZ8E8PQ3kQtdeODJhuzE8jMNlQwy8ODtSIvEsdsalQSpyODB5wUEMj2ykQ2KLPDp1rgEscZ6kQFhzODBYk0EMrQdkQuP/ODF/6DF8U4xkQEaRODNLU0Ec+etkQENbODVv0NFc9C3kQ result_proc0003_0001 > Ltt4ODtgLKEMDcqlQL60OD5ycsD8A61lQJuJPDVBOUDMLq5lQYxaPDhFgnDsWu7lQ/nJPDln3tCMio6lQB7pODd7N1DccWLmQJK3ODZQ1IE8VDamQRgtODVfnPEsEvrmQmTJPDBOCNEMg4UmQqtFPDtNCTEsaJulQSbqODlEYYDMXOslQ+0mODRKAXDcPgTmQ9gaODN1SCEMWiImQ result_proc0003_0001 28c28 < SCORE: 17.692 -24.154 8.127 17.770 0.070 1.274 -0.775 0.237 0.453 -0.357 0.000 0.000 0.000 0.000 4.600 8.533 0.668 0.000 -4.092 5.338 .00 3.895 1.000 1.000 result_proc0003_0004 --- > SCORE: 5.114 -19.725 6.081 16.712 0.057 1.088 -0.852 0.005 0.374 -1.035 0.000 0.000 0.000 0.000 0.554 6.946 -2.158 0.000 -4.092 1.159 .00 3.910 1.000 1.000 result_proc0003_0005 38c38 < ANNOTATED_SEQUENCE: T[DTHR]A[DALA]SKPYKPD[ASP:CtermProteinFull:SidechainConjugation] result_proc0003_0004 --- > ANNOTATED_SEQUENCE: T[DTHR]A[DALA]SKPYKPD[ASP:CtermProteinFull:SidechainConjugation] result_proc0003_0005 40,48c40,48 < LkXePD5Q+3EMb0qmQWYfPDx+G6E8uBCnQEYLPD1wCxE88lMnQXd5ODZ8O3E8tPHnQSSiPD1bqRFsepInQyf1PDlK+ZFMGR/mQ6pjPDpTnTF8e3gnQvcgPD9lFFFs+mhmQ9GtPDtvCxEM60HnQ4vUPDVQCbFMF6CnQu+5PDpadmF85AHnQwslPDpfXkF8BQlnQh/UPDlkeNFcgConQRQxPDJhZKFs6rmnQ result_proc0003_0004 < LliOPDt7ViEstnbnQh/8OD9MjVEMHJknQi0pODN2gjE8KwpnQqNsODt3i0EsgWznQFWEPDlhBJE8ur3nQKfdPD9/9fE8VShnQ5+3ODtvTKEsLyXnQUE3ODlvG/DcK39nQ5cRPDx/18DMbNznQOyJPDBUGUEMa/BoQ result_proc0003_0004 < L6yWOD19McEcUtjnQLLDODJWEoEsGAonQizyNDZ9vkE8KQWnQ/I2NDdB3XEsOvHnQKw5ND5VNhE82R9nQMyyNDxh6LEcTf8nQw5VODJ6DOE8E8bnQtCHODFjE5EM3xonQRXsNDdJnrE83qAoQvvFODlS/iEcf5EoQCujNDJnRMEMne/nQ result_proc0003_0004 < LoGhNDdKdwEcFgXnQMCTNDJtZzEsNIFnQ64dNDpZlAFcTvzmQ0SlNDNw73E8wqjmQKCMNDdtvdE8mI8mQk1BND1V3OEs/gMnQnQ6MDJ/W0DsSKCnQQhwMDdzKWDM2lSnQNjpMDFIFtC87xInQ8SdNDNsf3E8kilnQa2ENDlWH8EM4WKnQQ1ZNDNjiVEsqT1mQehANDZxOgEsBRvmQmM0MD1W1WEMd7TnQxcNND5TELEs08YnQSwHNDJ7ekDslc6mQXSuMDFOm7DcgA2mQXviMDFzalDs8CanQVQ8MDBgUPDcxBfnQANjMD5n/ZCsYLUnQ8R2MDhFWeCsRECnQxbeMD5n9yCMYb9mQ result_proc0003_0004 < LQyeNDRKkVFsHD3mQ8WsNDdkcjFcZHqmQjnmNDtk2hFs5eSmQ4GzNDdjKoFs1nEmQLlnNDN8v5F8+FzmQa3iNDBy41FMrJKnQaqWNDtsHhFs6XKnQNEfNDRX9VFMHW3mQzN9NDFAGfFsfssmQ9BaND99dAGcndqmQyb1ND1UKCG8jowmQbkZND5/oBGM4xQnQ31xNDV7C1FM9WTnQnbFNDBoakFco9InQ5HaNDBpbYFMISZnQ result_proc0003_0004 < LbpTND1OYZF85+NmQrVMNDZdqWFsw/3lQQMdNDNXcLF8abqlQ5BjNDZqFTF8aPZlQ6S3MDR/JKFcsc3lQjxvMD9yqEFc7GhlQyLlMDBC5TFMX6UlQ0dzMDRyawEMc0YlQJUeMDxR4OF8ggAlQOmsMD1EarEsxaElQ/DiMDBQj6E8QS4kQHObMDxyj1E8s9jkQrCKNDhnsUFMxGamQNoJND5hcmFczExlQwxqMDt5dTFswR/lQ+H5MDp4S7E8HYAmQDSiMDF1zjFcYbblQUz7MDpldkEcZZilQw/VMDZj1aFsX72kQugvMD9ffbEsa59kQW/eMDFMBnEsOvgkQ result_proc0003_0004 < Lm9kNDZHR5EMGQylQiY1NDJ0GtE80/mlQmLAODttDdEsy01lQF98NDVvuJEMT1zlQWxrNDdQkhEcQrTlQxA8NDNupVEcs9FlQqdxND1ErLE8XbykQhpBODdAV/D8TxkkQWj3NDZaprDMXlRkQWWfNDh4uzE87WAmQbmBODVcN4EsUWhlQHmjNDpTHtEMHeJlQl3fNDFCCWEsJHZlQHgDOD5SDJEMrbPlQMaIODt1tgEsVsAlQlDqNDF/LYEMrxokQlClNDN6jAEMuj3kQvFJOD9VMmDMZRukQVIOODN3pKE8YhfkQxyCOD1hEcDs69IkQQ2wNDxoYBEMBfIkQ1JsNDhxuWDcJQWkQ result_proc0003_0004 < L/ANODlnLlEsusEmQJcVODRIHYEcqFWmQE+pOD11xME8scPmQbiuOD5fJ2DsWxWmQagZOD95goE8/1nmQxOfODdwf8EckJcmQ16QOD1Ba8EsixImQ3XNODlhXlE8EDFmQeOJODNFbMEcC/amQ0YmODRV3iE8DbymQZGLODxAUqEctyxmQnUwOD1VZ8E8z8XmQ8mcODVuhKFsjcmmQjQZODpbBEFsnR7lQ2+BODl68EFcsdMmQ result_proc0003_0004 < LdT2ODdqFXEsYiBmQEKNPDZhuSEca1/lQPsTPDlV3OEsKrolQ8BKPDRrkXE8i4ZlQtaiPDdrNDEc2qklQ7JaPDpZTlEcGGJmQ6xaPDZROlEs6chmQiXePDxI+3EM4zqmQ/BYPDB1cUE8cqqmQXrvODRAPiEML53lQSvQPD9/TEEcK/ImQmUTPDBqb0EMNvDmQEhqPDdthkE8uFDmQ result_proc0003_0004 --- > LU90ODFmagDcBPzmQWQhODlXWgDcYu/mQVohODReiBEcr0QnQ5ARODNWdKE8SgWnQMfdODNWe0CsgSKnQ9HvODpkaqCMEEYnQ6RbODFFxRCMxX5mQKrCPDFXZWDsBK6mQd5TOD5L8mDcBA1mQT6OOD15m1CM61TnQNUrODFUwwCs3mmnQrnYODN3+lB8TIBnQIxNODVmIZC84+umQi3pODNiRQCMY3vmQ result_proc0003_0005 > Lvr0ODpRRGEMs+YnQUR3ODp6pWE8bYpnQ+mwO

linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_sidechain_isopeptide 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_sidechain_isopeptide」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_sidechain_isopeptide/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_sidechain_isopeptide/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_sidechain_isopeptide/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_sidechain_isopeptide/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_sidechain_isopeptide/out_mpi.silent and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_sidechain_isopeptide/out_mpi.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_sidechain_isopeptide/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_sidechain_isopeptide/mpi_log_0.filt 9,13c9,13 < 3 1 0 17.1287 4 1 3,2,1 < 3 3 0 18.1104 4 1 3,2,1 < 3 2 0 20.3115 2 1 3,2,1 < 3 4 0 23.7821 2 1 3,2,1 < 3 5 0 41.1268 3 1 3,2,1 --- > 3 1 0 19.8986 7 1 3,2,1 > 3 4 0 23.8881 2 1 3,2,1 > 3 5 0 34.3509 5 1 3,2,1 > 3 2 0 66.9994 7 1 3,2,1 > 3 3 0 3741.4 1 1 3,2,1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_sidechain_isopeptide/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_sidechain_isopeptide/mpi_log_3.filt 30c30 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 17.1287 4 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 19.8986 7 1 57c57 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 20.3115 2 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 66.9994 7 1 84c84 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 18.1104 4 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 3741.4 1 1 111c111 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 23.7821 2 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 23.8881 2 1 138c138 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 41.1268 3 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 34.3509 5 1 144c144 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-1, 3-3, 3-2, 3-4, 3-5. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-1, 3-4, 3-5, 3-2, 3-3. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_sidechain_isopeptide/out_mpi.silent /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_sidechain_isopeptide/out_mpi.silent 4c4 < SCORE: 17.129 -18.143 1.607 20.947 0.006 0.223 -1.527 -8.584 0.000 -1.635 -3.540 0.000 0.000 0.000 1.819 4.125 -12.065 0.000 7.432 26.463 .00 4.000 1.000 result_proc0003_0001 --- > SCORE: 19.899 -23.489 2.950 30.356 0.009 0.334 0.222 -18.886 0.000 -4.371 -3.991 0.000 0.000 0.000 5.055 9.056 -11.819 0.000 7.432 27.040 .00 7.000 1.000 result_proc0003_0001 21,34c21,34 < LGZ+vAXM2t/TforRwAIOuA/Xh+8DnFxQwMhliAn3ct8j6ZUQwKu0aATOaa/Th0HQwSLq3APnZw/jKZ9RwJhHuAb22tA0XWORw4lWrAvEXf/zcXfSwlwZzA37wa9DE5yPwrubwA70cB5rodQRw result_proc0003_0001 < LJeBdAfqBK87kKKQwpURHAXGK+8rdJWPwAsbGATz008b4VTMwAK8q/6FJ+7rw5HLwqNEjAL6/r+LKSYQwADSBAfo0Z/Lx9BQwa0r5/eh8tzjsOFQw result_proc0003_0001 < Lw/1YAr3ep9bRfCLwIcnaAj6vK9LiCJIwyihVAPePHAsb6hFwB/SNAbDjIAsboDBwEFjoALl7o6LkKtGwk5WrAnwZF+DlKeIwVgenAzClFAE14SGww91wA/mvM+jxSdKw2X+iAjkNU+7MRHMwkMGPAnHeD1r/o6GwjGbuAnckG+r6hEIwTBMpAfH1W6rH7WCw result_proc0003_0001 < LsqdaA//xNB81UHIwp+VaAPr6QCMzjsFwVylnAzYNZCcHftCwjBCoAneE0CMxzO+vPzZeAzeDJBcSWEKwRS+XATsgpC8fVXIw7e6MA3tATCsAb7Cw result_proc0003_0001 < LY19vADK/BCsnKOEw9eM6AXViEC8j9bBw8TD9ATG7zA8VDr9vEdL2AzhtIA8XwI5vOmOvAf4GcBchUYHwAFOABbzrNCMNWQEwWG05AnfedCcSty8v result_proc0003_0001 < LMenDB//HcAM62W+vy6fFBz8PX+bOM05vCaXLBPx9w9Ld6e8vfMoNBDcVN/LfDuBwcDQGBnCzCBsO3DBwu39EB70YZ+r2wThvnWFDBrFd46r3a58v result_proc0003_0001 < L68zNBzEtxwTGv01vhrcTBjzKm6zwDj4verHUBPSBQ/j00v+vF39XBHIal/Tv8XCwHmtLBHB3H8DXvNjvKXXVBfYJ777ke48vHUcVBzFdP7DCPKdv result_proc0003_0001 < LRvWQBvB2iAUPtQ9vtJsQBnCM3BUpkGBwpXaMBTBNBCEumYFwN07JBPHVEBUBfIHwogLNBXsxUAUZel4v45oUBvFr/B0ir3CwfiOQBnSLUC0h2F8v result_proc0003_0001 < Lp9jLB7b+oCUO2DHwy4ZHBb9/yC0pgeJwnVQDBHwVRDUgSTIwIhJABXVLFD0BRGFwkt2NBfa4ADEGWmFwfsdFBHRiVCkQ4HKwLsNJBL4cBDk9ePLw result_proc0003_0001 < L6VODB7I54DEbrRJwBRKABLAiNEUW1AIwjNg0A38AMEEh2uIw7nttAvloVEE/J1GwgNYFB7Td/DEN27KwXEvBBnC/cEEYPpIwJ0oAB7GnMEUdwsDw result_proc0003_0001 < LREGyAbXw/DE0D1KwRsEnAD7q5D0hFtLwbAKiA/GBSDEJbbKw1jvRAHmjHD0TL7KwbXD4A3FJxDUM81Lwrw2mAnJr2DUCB4Nwj9WiA7I5KE0nnLLw result_proc0003_0001 < LN+boAzmC8CE1EyIwNz6kAXXLUCk4OGHwYV4lAjtOWC001BBwkRTcA/ILOCkEBT8vqTVrA7LSdB0h3oIw1G8nAjiUKAEm/oGwrDXrALafF+zbOeIw/u1vA7QPHD0QBYIwijAZATwePCEYlCIwwF0zAPNpnBU/3PIwoLCqAXA7XB0DbyKwjVVjAzMkMAkjvUDw result_proc0003_0001 < LnfavAT3DhCkIyN+vdknxAT2PhCEn+Crv3Co1AD+erB0/P/fPYhtyA7gTpAkRw6tvvRS1ArMYpCkHlrBwVlXqAzOwpC0CUtkPE0k3ALgr5CUktgfv result_proc0003_0001 < LfxU8Afo/rB0+HQ5PPCZABP3GdAkEqm9PP1dFBXOODAUN8X3POuMHBn+5uAUNjUQP/30HB7ZIH+jh9P6P4bY+ADmPSCkNMm8PAt36ALYJU/TyUA9PrNRBBjp0lAUBXCDQ result_proc0003_0001 --- > LGZ+vAXM2t/TforRwAIOuA/Xh+8DnFxQwMhliAn3ct8j6ZUQwQlzfA7ytC0rDavOwSLq3APnZw/jKZ9RwJhHuAb22tA0XWORw4lWrAvEXf/zcXfSwlwZzA37wa9DE5yPwrubwA70cB5rodQRw result_proc0003_0001 > L19ZXA7411+TmaARwQZhAArbny+DfXuQwW98q/+GWI6TmoeRw9jai+ma/C5L+dFRw357cAvULBAkylvRwGG3y/q0aWA0jZARwoXA8/uSzi+TenTPw result_proc0003_0001 > LhY3+/+Jv44LaHkSwtzSw/yoYv+73fRTwkkAe/CIFC+LdypUwgsfh/Wdjo/LeblVw4jYKA7mfYAstNaTwvVdWAHbrmAcywGSwBtwXAL1F3BMcmrRwfAAeA/3aS/LF1iRwzdYMAnpVi6T4D6SwSEBN/K6/p/bHvsSwbaqVAzzZCA8BpKUwRD+DAvqrVB8u1vTw result_proc0003_0001 > Lms41+mjUA5DSvxUw62vT+SViM9TqSFWwW15v/CdCv+jahpWwxk00/ien/+z/P3Xw/cKG+C+Vx8T6h8Tw9UhC/I11L/T9j/VwuULU+IhFl1zuMxWw result_proc0003_0001 > Leu0GAPnUa/jivwVwb67cAPyx5/zN+JWwz3QmAvyNm+TUxLVwHhyjAv9WP+z7XAUwcGtCArmul/z6fyUwpe2fA7EnBBU/WMWwXbmfAzL+H/DePKXw result_proc0003_0001 > LXUsvAX0ox9TZzrVwiNX3Avpwp4j3L6UwvIEABXHDH+jrfVUwyd49APPsEAUFCtTwWHmxAnBOc+jFFoWwWV66ALd7Z8rMyiVwp8NzAT8zx6rkWGUw result_proc0003_0001 > L2HEFBnyFq8jg3jUwLUoJBvi36+jD9HUwb4ZLBjANI+TpMuSwAWxNBXsvu/T24/RwBCuFBTRAT5ri7CVwgXkIBndEhAkJCJUwNr7MBnplp+Dhp0Uw result_proc0003_0001 > LU1PKBn4d04L89VSwIRxLBHCav8bJ/BRwTr3GB/81v97vUKQw9HgCBL7bm7LiFdQwUxQIBPqOI971x+Sw6zZOBnug+zT5jiQw4cBOBvHKO/75iJRw result_proc0003_0001 > LfynHBPZnZ/L5hLOwnKODBLL5DAspFaMwdRfCBfolkBMF6RMwI8qABnvKGCMJ5MOwglVLBfbgCAMBNxNw4oF/AHsAM/LROHNwaIAEB3M/V/7WNaKw result_proc0003_0001 > L2f6DBv/DFCc0RAKwuDPEBjAfzCsqswJwvRf9AXQ8GDMlwPJwA1M8Ajm/tDswNRJwwDzEBjRZlBcauZIw4/7GBDLz7CM2aIIw1G7FBv14ADs3llLw result_proc0003_0001 > L6pl1A32erCsJEyIwWEmqALDz5CcfXZIwIblkAr+q7CsO0CLwdd0WADN4JD8T1JLwibP3AfG4LC8PdsIwCdgmAvgFkC8w8DGwyJmqAXRUZDckX7Gw result_proc0003_0001 > LP4zpA//PtCM8NLNwo2wkAXkBrCspOzPwnnprALujAD8di9Qw+t9nA76EdDcUMrRwdAliAvsY5Bc19RQwqH0YAXSS0BcEQlRwvbeWAHcpmA89pGSw4iexA/FljCMlL+Mw9WXaAbHM8CM4tsPw7BJqAn/gXBcfpZQwrlxbA3iyaB8qe/OwsBATAnlTVCcgc/Rw result_proc0003_0001 > LN+q1A7lvyCce6DRwNSy8APjqBDMekHSwzKI8A/22kCcPCWTwuznzA3c5TCc3rqTwdpb4A3qWdC83xYQwvTq6AniUiD81KZSwkbfCBDqaCD8w2vRw result_proc0003_0001 > LjBlCB3acfC8/kBUwFx0CBb9OECMnRNVwwTGFBPqowAMls3UwbedGB3U+eAsvEuTwIKlFBzgW3/L2xuVwQS7FBfakuCckutTwsFq9ALmuACMeQoVwTITFBz3gTCss49Vw result_proc0003_0001 38c38 < SCORE: 18.110 -22.522 3.007 23.824 0.010 0.456 -1.526 -9.633 0.000 -2.149 -1.507 -0.684 0.000 0.000 0.851 7.172 -10.911 0.000 7.432 24.289 .00 4.000 1.000 result_proc0003_0003 --- > SCORE: 23.888 -13.818 1.965 15.539 0.014 0.772 -1.094 -3.881 0.000 -1.931 0.000 0.000 0.000 0.000 0.413 4.941 -12.742 0.000 7.432 26.277 .00 2.000 1.000 result_proc0003_0004 53c53 < ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]GD[ASP:SidechainConjugation]GGGGGGGGX[DDPP:SidechainConjugation]GG[GLY:CtermProteinFull] result_proc0003_0003 --- > ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]GD[ASP:SidechainConjugation]GGGGGGGGX[DDPP:SidechainConjugation]GG[GLY:CtermProteinFull] result_proc0003_0004 55,68c55,68 < LIb7CBhxgHEUxC+YQa2DCBRDKsDkJ1fYQmhh4AdhMdDkpigYQYjqxA1fexD03O0YQYhwGBFNGMEkX68YQs9kABZt3TEErV2YQQ9CCBRwiCEEXobZQZcHDB1gv2DUDZ/XQfZsEBpVhRDE/vnYQ result_proc0003_0003 < LoXY2ARnl5Cki8KYQaolrAB6BoC06wIYQzq1oAZM3ZCUQ42WQM1VhAV/NBCEDdpWQGhY8ANdSqCUxS3XQZN7qAZZ6MC02heYQmT3lA9GEADk8cTYQ result_proc0003_0003 < Lwz8uAdOlpCUA04VQrrDuARniaC0XxgUQl8OyABs7ZBky1XUQrfY5ARkI/A0x7GVQnVM0AlFL4C0fJkTQFM6+AtRlGDU0cIUQQowDBdq7yCk7wpTQ3N9+AFMfiDkS+9UQVoW0AZtiAD0L/GWQMnolA9qvaCEPoOUQamm1AJAynCkMmnSQniXvA1hbUDUKgWTQ result_proc0003_0003 < LfsutAVOhqAE1IbTQUYjxA5pMp+z8ZHTQdXg5AF71r+zUj9RQJGc/AJ1+D7z3FwRQXyfnA1nnCBUdz5SQktU1ANqRk9zT8/TQ9LyqAldKv8DYE3SQ result_proc0003_0003 < L+tl5AxOTcAUG1NRQNbaABhjylAk8QFQQ6Z9EBRYSjBEhAaQQrjkFBJRA/BUqGjRQjkg0AZ/dMBkSMcRQ+0CCBR76O/j3/nPQLZY8ARHN9A00CcOQ result_proc0003_0003 < L+EJIBdXa4B0ahyOQFXiMBNVaaC0AwHPQ1JOLBRVdFDkqi2NQmfkGB9zKPDUSWUNQI/fHBFE8dBUpY+MQHOXNBl4ueCUxznQQdbJQBZZUNCUruNOQ result_proc0003_0003 < LgCWPBl9KfDEn7XNQntpOBFHXEEko/FMQccQOBZqMWEUzQKOQj6DOB1sEpEUPsdNQvdDTBRFsVDU3T6NQZrASBV8aHEkZhwKQQDDLBh+IEE0aj3KQ result_proc0003_0003 < LQDJOBx2GQEkNlWQQhz+NBFAnfEUzQcRQMLcSBxMhbE0/pcSQ7SrVBV77MEUoiRSQVkKOBBNVAEkklkQQVGXOBBNuvEEvTCRQ/YHKB5uueEU4S8RQ result_proc0003_0003 < LPslSBxdeoEE5BgTQ0riWBBU1lEEP0jUQ7sOUBtCbZEE1HvVQ815PBtOJQE0N4oVQAO5PB1zd0EUgZkTQhlBaB9ocdEE2oKUQ7m5XBtEg1EENX5UQ result_proc0003_0003 < Lg0IXBFGUZEkCT2WQtQHVBRCMQEEl6CYQxG5VBBvCwD0y8DYQZ2NUB9nnaDUqKiYQCL2aBJ/tfEk7R1WQoLLXBJDeXEUO+dYQiO4QBRB+TEUwPGYQ result_proc0003_0003 < L+ecYBFJCfDEohFXQV1MZBVz8wCkfY9WQJTNUBNPcbCU0tZWQLvmTBdH4oBE/HfWQfl5ZBN8hyD0khXWQq7lcBZykqCEmeTWQDeKaBJyajCUdy7XQ result_proc0003_0003 < LDpoQBpOG1CEdP1VQXDuLBZAhkC0FiPVQM72HBNPEVCUvUUWQU7ZEBBEFtC0icxWQzyEJBBXgGDkIGYUQXTCEB15R1CUituTQ506+AVvnGD0EiIUQ76VRBBE6UDEFmzVQ0MwMB9eKJCkJhnUQhoBIBhJCiDk3g/UQwi1LBtLfQDU57lTQJ4VEBh16dCUzTCTQ result_proc0003_0003 < L5ndIBV2qZBk7EuWQamLFBl6T1Ak+GyXQv0oHBNnCGBUr3kYQLv3EBJz8DBECcFZQZKRLBZTv0AE7yRWQQmLBBhQ5QBk2YvXQXfwEB5lPh/jdGoXQ result_proc0003_0003 < LpY2MBlWpWB02dlYQgHsPBx+2nBULTNZQ9OVSBFJIXAkKneZQkY7RBZ9Ll+D7cLZQEC2UBlc2ZA0YT/ZQqb5OB9PXXB04mJYQ+ltSB5AdMC091HZQ8m5MBN3kACEV7kZQ result_proc0003_0003 --- > L3GgjB9jsTC8QtjWweXbhBl0R5BsEE1VwVBniBt8aGBcd/qUwWnPkBpn9MAcfD4Uwq/qiBlkEkCMt2TXw2G1kBVzs9BsOM7WwFZbkBdQAoCcOH8VwapYgBN+KOBsykgWwfD6fBhaSTCcy0cVw result_proc0003_0004 > LrhxhBp94bBMeLdTw0bziB9g2xA8wqQSwnPrkB5jssBMIJfRwl72lBZqwTC8nZDSw06YgBlGRFCsm3WTwYP3jBVTWv/L51iSw2+IhBJpueAsz2nRw result_proc0003_0004 > Lk87kB1TfcBcZFMQwiz0mBlVxFCMrjtOwwCtlBtdPxCc7Q6NwnvMlBxVa5C8tijLwVchnBFtBYBcFANMwLfElB9BU/A8yhkKwWPflB9E1uAspr/Hwfg7iBVkM8A8hDsLwfCzjBNpYuAM/WiPwqopoB1tALCsu+2PwhO3oBFSW9Bs4G8KwTJloBNl0dAcFrxMw result_proc0003_0004 > L4VUlBpXDND85g4PweWRkBVP33DM5nYPwFsShBhaR6DMXIAQwxmGgBZYYOEsXo9PwBtwlBV8TEDcd24QwIbWlBxneHEsEiTQwuenkBFOQAEM6TTNw result_proc0003_0004 > LyFGgBtAcVDchfSQwhvhaBdKbTDs7aoQw2CiZB1A6zCcCExRwYZ3cB1L4uCcwKqSwrLLhBxLI6C8iORQwrjIZBViIzDMUA7Qw43OYBpL5JD8rigPw result_proc0003_0004 > L4P7UB57ueCs7iuRwF0jTBRNP9Bc6muSwEYuNBRrNiB8mAnSwk0UKBdHIKC8ztLSwTZTSBtFDlCM0B/QwRBJWBZKlFBM0zmSwMjTUB1hdLC89VuTw result_proc0003_0004 > LnnlMBd7xSAc5T/SwifMHB9w2f/bsY4Swg0FGBtgXe+7sReRwpjfBBRPL/97fpGRwmQiPBpfKb/bnMXTwm/sGBVS6v9r+PmTwywSEBFgPhAcxAJTw result_proc0003_0004 > L0ZVKBJ+SJ+7ILsQwpWzJBBDtu8LsVlOwXspMB90iV/768vMwASeOBFfTuAMSaoNwwhBOBdpXc+bXuERwJjdLBZYhh6jjYTOwcClFBJpph8bIeDOw result_proc0003_0004 > LRiBNBxHvo+7pUMKwYAwPBZhLKAc6RPIwqZGPBxhuN/r1e1CwAn/LBJGBu8LtA7Bw7EYLBRk+k7r3jlJwuDJOBln7KBsqVVIwkD/TBVSOOAs0SvIw result_proc0003_0004 > LRGDSBhhtLAc4xH+vGAqRBZGUk/b+TurvhXIWBJ1PS9rLRvDPbSBYBlDpR9b15L5PlLoUBplo6AsDBGAwHqyNBZ+4n+bc3IkvZ11RBxCxqAsd6loP result_proc0003_0004 > L66zXBtnfMubMNL3v+kFcBN9419zbLhzvLJvgB1ehQ7jlNW5vNJxiBJh6M+DWM74vCQFWBtQdY17CT4+vitNbBVVsw/zAFG6vGHQcB1IXb+D7u2qP result_proc0003_0004 > LBXvgBFwjY9rIP48vpGMjBhN6/+rYaOAwyoYkBRRLXAsQYP3vWwrmB5+yyAsI0V4vPopiBp+rVAM76LFwZbPlBxRZtAskP9Hw/SElBJ5S/AMngkKwFJAeBti+t+bkDG9v0/okBhUk58bbFOBwgOnhB1UQQB8NyCEw6TahBt73i/rt69Hw4A9mBtIpuAsHK0Fw result_proc0003_0004 > Lo8ziBRJEnAMe5ZbPajsjBVbRcBMIin5PDBmkBZttlAc6zhBQ6NGlBppUy+bMZ8AQRI9gBRLoNA8R9HePxeEiB5BJDCcl3F8PhrVlB5wiCCcjHB2P result_proc0003_0004 > LnpykBd1jNBsMPNGQyNplBpv0gAclChJQXwGnBFq5cBMR0aLQBNcnBdiXUCsA41KQDk8nBNzdCBMdngNQUtVkBZxOGCc4QbGQjx8mBlCgX/bRS+IQ165jBZejFAchChKQ result_proc0003_0004 72c72 < SCORE: 20.311 -13.816 1.966 15.721 0.006 0.207 -0.965 -1.834 0.000 -3.043 0.000 0.000 0.000 0.000 1.447 2.829 -11.243 0.000 7.432 21.605 .00 2.000 1.000 result_proc0003_0002 --- > SCORE: 34.351 -23.551 4.585 26.362 0.010 0.613 -0.321 -11.071 0.000 -2.131 -4.532 0.000 0.000 0.000 4.418 3.448 -9.379 0.000 7.432 38.468 .00 5.000 1.000 result_proc0003_0005 87c87 < ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]GD[ASP:SidechainConjugation]GGGGGGGGX[DDPP:SidechainConjugation]GG[GLY:CtermProteinFull] result_proc0003_0002 --- > ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]GD[ASP:SidechainConjugation]GGGGGGGGX[DDPP:SidechainConjugation]GG[GLY:CtermProteinFull] result_proc0003_0005 89,102c89,102 < LXmQ9/mr/X7rmnB3v44Un/+vIJ/LW+I8vKJ5c+kjAN/b3M34vWTsc/wssa87i535vu89NAD0ja7bqgy5vMbn7/yIjw7rpm9WP6mSv/ygXX7jHbC6vuhC3/ejRfA8LBj5vaSzp/WLIE/7PlaCw result_proc0003_0002 < LFL6L/YnHwAM3M3xv4KEBABpQ6AsXjMjv1YnOAp9clB82D+5vTHrgA1tK5BsWuL4vwSeX90SWiB8yAwwvrHyHA5Rf3/rYANYPjhcBARyKgBczO1zP result_proc0003_0002 < LAUCFAVpA0B8JDpBwdfbPARkZSCs7S4FwlGpiA5ih/B8EPPHwgQ2jA5/1xAcO+yHw9saBAZ5STC8yycJwId9KAlyOuCcpKsLwtDcXAtGuZCM3vaNwlqtGABp7TD8i6wLw54Vs/kSrcBcitQCw3wtRA9qJzCMnPfEwIYYj/U1EgCcDr8IwxTP+/wjglB8OsLKw result_proc0003_0002 < LoulqAdirbCsK/wHwgAg1ANZ8NCs0BdIwcun8AVqbSC8Op/DwZdNDBRR/TCMtMcEwgECpAd3O7CMUXXHwKiv4A9kAhCM3qFKwDSc1A1SdZBcygHJw result_proc0003_0002 < LDto3ApAgUCMtWn+vkUT9A1HnfC8KEnxvoSTDBBILBC8aYIrvW5yCB9E00A8AmawvU7tvA9nNOC8nqR+v/Lx3AF2ieC8UYanP8fIAB5/UADM7tvyv result_proc0003_0002 < L5S1HBxb9SCsOfvYPwotMBV99zBs8/EnPnzmQBJz4BCstpj2v/3ZVBBZE0B8hfg0v3e5HB5QmyCcOPxoP5stLBRiJwAclqEpPYkmOBdIXCC8aPd5P result_proc0003_0002 < LjzgOBRQeRCMGnHAwEZ3RBVXLgCMOchEw+L5SBFiIQDcz9JEwpJQSBFBcjDM7r0/vMqfKBdWLTCMf6eAwWR7PBljvYCMXDKIwvGqVBJe/OCs9WdEw result_proc0003_0002 < LVffUBJdNjDM+GUIwEE2VBNmSIEMKaYIww16QBZu8VE8wj7IwJFHRBRJkpEMsuuIwPwxUBtV1RDcwuAKwr41YBR7HLEM6H7Jw+rnXBhV8MEsAJ9Ew result_proc0003_0002 < LzkgMBlvdLEcZ9nJwvSeHBNSkWEMSKHKwodVHB1fOgEcaH6Mwe6qEBF1WwE8fMYNwvfpMBt3x2D8ua0JwTi8GBpTJjEMEDoIwLHKEBhMaLEMF23Jw result_proc0003_0002 < L0OOKBZFRWEsHnwOwDhjKBRNNeEMs4vQwLqCGBR1RVEMMymRwjwXFBhNkbEcFrwSwMRPMB9Z2IEcNhQOwjoZOBVMvZEMzbLRwPzXKBNIovEMdmvQw result_proc0003_0002 < LOB9CB9ilGEM1OCRwon98Atvp5D8zpvRwkMQ3AZU4YDMIy3QwsQf6Axk0QDcnRePwiUuDB5CECE8XaFQwwD4/AN5QqD8UvpSw59V3ARJOJEswRDSw result_proc0003_0002 < LZhvuAdgDGDczGaRwT7joAhEHmCMharQwo1bjAdkAGC8gPoRwe0XfAxKqRCcPRtSwtDDgAJNr7C8aipPwvkrXAtYRdCcHWiNw8h9KANQQuCMfNsLwe0fsAlKFODcvFWSw+GBuAVuoUCMYsBQwFe0SAdDuFDMpTdQwMhejAxMkXDsoMqOwkr8bAlkP8BcNHnNw result_proc0003_0002 < LY7SjAxYE7AsMOORwfJBdAxh8u/bJ6BSwc6qmA5s

linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_sidechain_isopeptide_reverse 「click to collapse/expand」

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Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_sidechain_isopeptide_reverse/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_sidechain_isopeptide_reverse/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_sidechain_isopeptide_reverse/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_sidechain_isopeptide_reverse/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_sidechain_isopeptide_reverse/out_mpi.silent and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_sidechain_isopeptide_reverse/out_mpi.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_sidechain_isopeptide_reverse/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_sidechain_isopeptide_reverse/mpi_log_0.filt 9,13c9,13 < 3 3 0 17.5803 4 1 3,2,1 < 3 2 0 20.0805 3 1 3,2,1 < 3 5 0 28.8136 4 1 3,2,1 < 3 4 0 38.3482 2 1 3,2,1 < 3 1 0 45.1959 5 1 3,2,1 --- > 3 3 0 13.9137 6 1 3,2,1 > 3 4 0 20.9832 4 1 3,2,1 > 3 2 0 24.1704 2 1 3,2,1 > 3 1 0 25.9476 3 1 3,2,1 > 3 5 0 61.6817 3 1 3,2,1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_sidechain_isopeptide_reverse/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_sidechain_isopeptide_reverse/mpi_log_3.filt 30c30 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 45.1959 5 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 25.9476 3 1 57c57 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 20.0805 3 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 24.1704 2 1 84c84 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 17.5803 4 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 13.9137 6 1 111c111 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 38.3482 2 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 20.9832 4 1 138c138 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 28.8136 4 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 61.6817 3 1 144c144 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-3, 3-2, 3-5, 3-4, 3-1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-3, 3-4, 3-2, 3-1, 3-5. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_sidechain_isopeptide_reverse/out_mpi.silent /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_sidechain_isopeptide_reverse/out_mpi.silent 4c4 < SCORE: 17.580 -24.053 3.935 31.045 0.051 2.158 -0.145 -20.053 0.000 -2.956 -1.669 -1.821 0.000 0.000 1.109 15.889 -7.909 0.000 2.313 19.685 .00 4.000 1.000 result_proc0003_0003 --- > SCORE: 13.914 -21.455 3.008 27.860 0.022 0.842 -0.521 -15.563 0.000 -2.096 -3.194 0.000 -0.622 0.000 0.373 9.945 -6.903 0.000 2.313 19.905 .00 6.000 1.000 result_proc0003_0003 20,32c20,32 < Lnj38/4AreC0rH+TQzyAPAZrmDC0C/YTQGBTFAdQF/AEkJkSQVhFw/A0UOBkl5rRQ8oPFAhLB2CESYgUQqyOr/wAirCkcUPTQ3FHq/gsDNC0tKkUQdKeZAdA9WCkzxwSQIq3YAFfcsB0Q6LUQ result_proc0003_0003 < Lu29LAJA8g/Tik2SQGmuDA52wW8jXhJSQw+hO/gpXo7zcWVSQU9ZX+EtUQ8DUscTQfKCPARN3r8LwFoSQUoxKAlVEq/LT5rRQV1BXA9gmQ/Do+kTQep2GA1sq48zUaFRQQ9PJAF41v9r+qnTQDRHgA15T877SsqSQmacSA9GXZ/b+gzQQl621/0sN1/L/7eRQ5X6PAZLJtAcUtESQ result_proc0003_0003 < LWoVp8kjCc5jX/ORQWJAu/G0GG5z6AQRQgZNAAjo5D/DQSzQQuwmTAfcLW/zTFpQQbh7+/qPqu97BDXQQVEpp/utXC+buF/NQU7Z7/CmIgy7BGFMQ/Dj//S8CX7L7xjJQ0VVA/sjzy0jEXXQQGio4/C/GmxzcfRSQ4RmQAvItM9b7ANQQ+Qa6/eP5x/LHK3QQd3Yu/enCBAM//JNQOHJb+K06X9bteMOQDmsBADI/l9jQiwMQ result_proc0003_0003 < L9aXk/yYhgAEgUmQQPjYx/OZfzBkbeEQQcs+2/2XJwBEOYHNQipvg/yzXABUIIvLQMxwJ++QWWAkTR0QQWIqHAfJjDCEFaiQQ8v3S/+ytRCU69UQQ result_proc0003_0003 < LsEaKAvMlRCEVBGMQmbwNAvzHVCE83NJQ6zBHAfV/ADUJFMIQGrEFArVuHDEYPjDQ1mqTAz49iC0z9VNQ7MoEAfJp4BUdbMIQDPleA/ioPCkPlwIQ result_proc0003_0003 < LHKgDALdweDEfMCKQo5y9/SqgFEkXHUJQfUI7+mM2KE0a7wJQ0bb2+QHm+DEnp2IQPpBEAzmgWDE/H/LQY1BDA3lJIEEUgcGQ1/3IA/cMQEURJgKQ result_proc0003_0003 < LW+AW+GbacEUJLLLQ3pyk/QkwiE0q72LQG/g+/UQPoE0SOXJQef3x/Uo+1EkPmkHQ+Z5e/61mlEEeeyLQnl3j/A8iwE0uPMNQtAd0/YM0VEkqS8MQ result_proc0003_0003 < L84VRANdadEUp/AJQZj5eAxLygEUaEXFQHd0ZAZ1sQEEGl9AQedliAZXYPEkpz55P1A0VAlekSEEW7ZKQmrmcAJZ/wE0T72DQEw0nAp5VfEUCGhGQ result_proc0003_0003 < LAhsIAZafEEkVPvBQukoCAJtmnD0NS67PYXPCA5807CEbhoAQwVzRAxgxjCUBnXAQIdS//4J1GEU4ICFQBj0l/gnxuDkoKm4Pc05NAhVRnDEAIhyP result_proc0003_0003 < LD8tg/MeqxCEFjNDQv7SW/QLEIC0jlwFQjSDv+4WWNBUkiwBQOLYL/kdPSBkQZA6PqBGj+sAUHD0cYaDQXvY5/8Zr7BkN6gHQCpHB+Aw2KCkLhgIQ result_proc0003_0003 < L6/Hy+SW9OAUHntDQK8/R/mgEL+T9+dAQBWmI+E8r62bzVXBQ1F4K+2Led+b01BAQmngDA7V8r8TWlvBQeUmJAbivM9TFcnHQeRhAArcGb6bifgJQ8BZ7/iFtoyLyIFMQMB04/iRBu+LuRdIQekPN/aFfSAk31iHQspXO/Oscv+zJth4P6u9FA75h767M0jAQtLlOAPwNk+jKf2+Pso+aATOTJ9jmV9HQxU7DAXPMh/z7kjIQ result_proc0003_0003 < Lz9cq/0avC5TlloDQhCKFABX7X9L+WqEQcX99/AIuY/rpRvIQuR1f/wSAv+rARMKQsIMbAhDkd5LlglFQ9kwmAJk4U+LHgQEQFypkApZ5TA8pNLDQpoxvANIx68bRrVEQok9w/IXhS+TvJrEQtRDGAlxT/+bd6KBQizxcAdDBu8zwlIDQh/ocARvk12D6P4IQ result_proc0003_0003 < LM4pKAxGMyAc7qJJQfV3FA9wmtBMCYULQQDZLANm5GBM1xBOQAH5SApGf8/76UMOQxacIA9kUvBMkHBQQO4KXA1Pb+AcdR3HQdv4p/U3V+B838QLQLc3OA5kTUCMD0BLQ result_proc0003_0003 --- > LBESgAd+wZFcAOCKQAOsPAZXXMFs8s6IQyZ/TAdiw0EMi3cJQExdTA5bmnEceYPHQz5VdAtEJpF8w+pJQ+kSnAJb2VF8LBNJQfhrgAVegXFsyxAMQEtjOANtHPFszhiFQe7WAAFn5QFMlVyJQ result_proc0003_0003 > LIsPYANRfvEM9E+LQfNrdApMoZEsLouMQOA8LARZGKE8fJ9LQceMQA5YGwD8uEILQ+DXpARZ9SE8EfcLQQzBuA9WO/DcjS2MQTCtXA9866EcAWZNQo1bfA5QGZEcYY5OQLXAoA9B9OEsmbWJQGWEvAxoGgEM/6kLQAavwARVgDE8GNsOQT/coAti6nDs1/ENQSRR0AlB0yDMvq0LQ result_proc0003_0003 > Lf+Dw/YdOREsS2OMQrNvs+wu1DEcy1mLQ7xsR+SBxIE8OB1IQzv4p/eTdCEMdNJIQYa6P/i21GE81+sNQWtp0+uCk7Ds7WOQQe5t0+QE4MEMH1BRQv6OS/QvEGEstxOSQdDOr/UhTgEs6G5MQTspK/YjSmDcmKoLQGvcd/+T2XE82P8NQZtS1/acV+Dcw/ANQBXqq/C+20D8yKxQQiI+D+Q8udDcU5GQQzleJ/cTTbEcT7oQQ result_proc0003_0003 > LxqYG/stEUEsB8dGQSSPP+QXYaEcFrGBQcYQC/W72vEcJbLBQ2N8k/CZN2Es+ad6Pfvdw/IYaYE8OxyHQBhc8+urKOE8BE4+PNf3h/cXWbEcDZB9P result_proc0003_0003 > LO4n5+KU/6EMWZsFQHGbh/yIMQF8uqNGQEoBj++jsgFMUa9CQ3pdX/wu6cF86LXBQmNuH94Xm0E89GbIQX7vh/+63UFMHMNJQLDTBAvhrPF8IA4EQ result_proc0003_0003 > LulxZ/u7AzF8WT/BQ77nm++53BGsROb9PrIHI/MD7IG8s/ACQKI9v/0wWOGsbWs/PrTR6/SPa1F8k8jDQKFzi/iMwGGMpQ35PaHqg+8de8Fsdrv1P result_proc0003_0003 > LTjn3+MPzIGsZiRHQdj3o/829OGcLzcJQYkMKAZirJGckS0JQ0c2LA5Iw/F8KE7JQzgRo+OiUEGs6jZIQtx/R/oNuPGMxaYLQ1KEt/8yBXGcpaqIQ result_proc0003_0003 > LFY3aAZ2OQGcFqAKQWiWoANsMMGcQcMKQ0rIrAJLFJGc+lDNQQGyyAtYNNG8KuNOQz6VYApmNYGca7BKQL65tAdNTSG81WfJQynQpA5NSFG8zt4IQ result_proc0003_0003 > LCn4kARXxBGc//LOQrQmmA5PX8FMAudQQHaZcAFMAsFM9S4QQ8qmXAhFEdFskqIQQ17kdAhZP9Fs2vHNQOXUmAxKCFGs8xIRQNRjuA5OX1FcDYjQQ result_proc0003_0003 > LJnfTABb6uFsioESQ6cFCAptXhFswBjSQgeoKAZkVNF8dxOTQH46GAF13JFsP5aUQzQ7YANC06FcflqSQfZ3v/Ax2cF8wRtRQeUTw/EwXqFsIoPTQ result_proc0003_0003 > LgPGWAlnLAF8GNeSQ2iueA9tLsE8rn/SQOMGrAJ7gpEcFjnSQ3wCvAJU+zE8fusRQiLyRARuJZEcxMeSQeKT1/IHnYE85j8SQdeCW/4t3HE8AuPSQOhq0+UA3MEcu1BRQeoVI/IJauD8sV0SQwD6YAJxIEFMAjgRQ+rldAVWgsEcHQFUQyLsRAtaYZEM/bYRQ/9ZZAFGSKEM4MySQoez0/wnaVEMPHBUQLY8m/oERoEsD9xSQ result_proc0003_0003 > L+8owA9vcbEscXVTQ10y7AdWmWEsnLCTQujmBBZSSfEsRVHUQYcPGB5G3YEcBfNUQHTa9AdA38DsAG5SQCfi3At+GqDMTYsRQwV03Alpa9D86apQQ9O1yARkqID8oe1RQfJCtA1E7TEMnwGUQ4H59AFkOeEsUtFSQ1nm6AV21sD8i3yTQUd9CBpy61DMmjySQ result_proc0003_0003 > LJmD/AVW7tEcgS7UQ8RmCBpfE3EMasBWQ0oq+Allf3EcJ/TXQrfb1AB7qwEMkbVXQWhQBBVci+E8ZOKYQG/c3ANc2yEcFxxUQBi1DB54QHFcHFxVQkhOGB5SutEMmdLWQ result_proc0003_0003 36c36 < SCORE: 20.081 -22.307 3.105 30.523 0.035 1.492 -0.412 -15.533 0.000 -1.461 -3.130 -1.059 0.000 0.000 1.055 12.765 -8.429 0.000 2.313 21.122 .00 3.000 1.000 result_proc0003_0002 --- > SCORE: 20.983 -22.390 3.425 24.635 0.068 1.079 -1.792 -6.777 0.000 -3.062 -0.860 -1.410 0.000 0.000 0.615 12.000 -7.562 0.000 2.313 20.703 .00 4.000 1.000 result_proc0003_0004 50c50 < ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]X[DPP]X[DDAB:SidechainConjugation]GGGGGGGE[DGLU:SidechainConjugation]DG[GLY:CtermProteinFull] result_proc0003_0002 --- > ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]X[DPP]X[DDAB:SidechainConjugation]GGGGGGGE[DGLU:SidechainConjugation]DG[GLY:CtermProteinFull] result_proc0003_0004 52,64c52,64 < L/zvrAr48TFEQZtPQPYunAH35EFUBV2QQASIgALFu0EEIEOQQ3s0gAPPjhEkqSfQQ61swAvXXeFE7zSQQKRnlALK3bF0A+4OQLJsvA7k9LFEsLSOQmXmjAnSpNFEm2oRQXAbuA/Vk8EkgBURQ result_proc0003_0002 < L0awRA3Kj8EkzswOQ2LTBA72BvEURkkNQ/xXV/W7RuE08UUPQcPNB/miq9EESCXQQiyZ3/iG82EEK4xKQS6da/yLbmE02BSJQnIJSAzdRMFkwATOQ2dnHAHG0eEkuNbNQUz1k/yCqFFkka7KQgOXKAL0B6E0idqJQsdVv/GXnZE0xMyIQnvTE++TChE0gfaKQUUNC/CWcsEEwTIHQ result_proc0003_0002 < Ld3eA+a/ScE04UOPQvUZe/89RYE0BIiQQ0Asq/somAEkeokQQpCUk/0iEqDE6TMPQnkMDAxBilEkfEJQQagwJARsXjEUBNXNQAKO+/k+mzEUm+oLQhPLKAlDWFF0hCKLQOL6t+asHREkky1NQ04VK/Qx+cEkzRiRQHlzQAx1zgE0hbwQQVJEAABtZ2E0ooVQQe2fFAZQeTEEZzoMQ/iBbAtoUlEEDAMNQLKmg/82lwEU4R7KQ result_proc0003_0002 < LeQq7/4o9yDUUNtRQR87EAZwxGDkMr2RQcyKm/wnfnC0RigRQ+d/k9UkYrCk8NASQfBz+/0koDE0yGfSQYlqSAJNGBDkQNNRQo7OKAh+ZBDE+P4SQ result_proc0003_0002 < Lp/Lw/gzdICUa9pQQD2VA/Ut3UBkBWKQQEFJt+kLdbBU/ITNQSmn08qJodAUjV+LQyrYHAR9mFCEx2VQQp8wS/YQ5TAUJwbQQV2z5+yxzhBURGpQQ result_proc0003_0002 < L6TjJ/kxYTCUq6NMQoH/K/sDpZCk8/UJQFbYL/GpQpCELnTIQIIP2/awBlCkcwqJQY5VX/YxUsCUJZbNQWBQu/M5xwC0JE0IQmZsb/AFR3BUTSWIQ result_proc0003_0002 < LsLjL/OXV7CE9VzDQ3AR9/OYxJDk7lRBQxL6AADKO6DUEGoBQLuYBATsMGEENl/FQmP7R+w4K/CUAI2BQ6oh9/a82/C0xQM6PA2QMA34e6CkdUNDQ result_proc0003_0002 < Lh0TCAHvfHEk4SA6PX6kFA77keE0UEk5PoHog/yGfqE0G2c5POEZQ+S0qnEUinSAQSFFBA75X+DUNFasPEvuOAnkniE0BgspPOrAPADnpjEkjKOAQ result_proc0003_0002 < LA6vU/Cfz3E0vChiP6vXy+EpfEF0U05TP8mwz9IPRcFE4FdlPRwwh/aawiFk8ujqP2DNx/2EL5EU/juwvXZhj/09Y/EkUV20PVAhW/k/nBFkKC02v result_proc0003_0002 < LXl+k/cBNpFUhXvlPfNbg/I3JAG0qPbrPLDkX/McVDGkYAk+PGG+u+cW+LGUyIiAQtaRBAhd3iFEv99ePqbQ8/MiHEGEj0cZvm8ME+EO2CG05EBlv result_proc0003_0002 < LHR6p/g3m4Fkyr2CQh2pk/oXD8Fk9tSIQw16n++bn5F0FBIJQm7bc/6pUpF0fLkIQaFRAAdsYsFkO13JQK3A4/Ik6UFk7kQJQQykIAF5+FF0CDBLQmVP+/0+mzEk6ApLQIBLaA1ZcLFEpkvLQWDr4/ozLrFUNVkBQMhwu/wUKGGUS3wIQGNf7/Yz0uFkEhAMQRtFRAVClvFUsSdJQk0IAAVRyRFkXzWGQOL+L/siuRFEongJQ result_proc0003_0002 < LbYwV/uK9EG0K0dKQrjoDAbe1EG0oPXLQpeEHAbDB5F0o6iNQraAVAj/NrFkiTUNQryrSAvXlCG0Q8AJQEHtkALOgGGEjrgJQC59lATlVOGk+/4KQvuAsAbGoBG0wTgIQLv/h+ChZLGUO73KQTWfHAvarMG03+LMQvaiMAnOdGGkC9bGQISKTAvUA0FEKLoIQ result_proc0003_0002 < LCTk0/C5Y6FU7VqPQ4XL5/+TGsFUOW+QQlL+OAPTGzFUI63RQhBvZAb3fBGkbTmRQzDHTA//EpFUxS3SQ60qa/i4zCGEk8rPQrsy+/Op1bF0A0nQQwn7W/eg4rFEW2iRQ result_proc0003_0002 --- > L6K5bAhYIXEEjhE4vg4wYA15KUEEzFxBwqH3mAFUxWEkLuzEwwctuAJIwLEky9rDwIe6NAtyVVEkwUkwvjDKjAd7QMEEpeuyv5PzgAhk0lEElhY1vP3KSA1iTEE0iqgCwO6GNA9UwfEkyUODw result_proc0003_0004 > L387mANHalE0RMVIwUomwAZXPqEUGN2JwCnx0AtMiAFkEXMJwIWmwAVPiQF07bLKwb9euARiLoE0UT1Mw+Z24A1x1oE0rmZOwpyHgAdLZtEUQcwIw8nv2AhsueEUcpRJw84ZpAt7V1EEkbfNwRneqA1dBZEkd8ONw/nJ9AhzUbE0eWHOwIqe9Al8V1Ekef0NwHhg3A58KqEkgYMQw result_proc0003_0004 > LVUC9ApzeBF0uNDHwQ39ABdCzVF0D2jFwkKn5AF6clF01GcDwmiCzARe1fFU5SDAwaaWFBBNSSF0GjYBwc+JKBdbrFFkr3ZDwPtBJB1KVuEUOrsDwPKPNB5sohEkkhXEwEAAABBixzE0xbgFwvDxCBdH3cFE00jIwwWsDBZovJFEb967vkbyGBBFuhFkic5/vatiNBJeNIFkykuAw7NQLBRcULF0ERYHwqXNFBReMpEEHrYDw result_proc0003_0004 > L7175AZaH5F058cFwyV9xAd/lEG0uSDEw6yCqA9vTGG0tVTIw3ZnjA9/wNGEtcPIw++2/AtAC9FUvnAIwhBstAJ/ECGUWydAwvV81AVWHMGUw5GDw result_proc0003_0004 > LJOjqARSu+FEqzTKwcDBkApalAGUJKtMwLdjTAxCD0FEKrgMwpq+CA1XJ6FkQbmNwy3lvAJIJyFkPALKw+WCiAVEAJGEDD/MwL8loAtMJ8FUs3cOw result_proc0003_0004 > LrOzUAlv/hF0kZHLwQNOCAhYQUF0cytKwEaTDABsgAF0kwfMwXI5OAN1LAFE0IfOw0efhAtkrdFU58TKwQzYBARkZPF0D/nIwkFXn/8dOdFUZnJLw result_proc0003_0004 > LlJUu/s9DwE0UNxLwD/Hv/8f0bEE+6NNwzyNy/MM7IEUQZTLwX4wr/YQSLEkoG5IwtakV/wtnxE0X9KKwhXjE/0uXaEUUbbOwQ6IFAlapbEUsblOw result_proc0003_0004 > LfzH8/M5VsD0EAZMwrdfAAx90FDUvexKwGciVARRTGDEYLPJwNeihAhJEiDUnzqJwApMAAlldqD0O7YOwnmVm/oAZDDEjBYJwVmt//IKupCEN5DMw result_proc0003_0004 > LopMYAVtZnCURn4GwQaelAJE4lC0E8aDwMnkvANuMcCkkFnGwtJhyAFnHuBEpcVHwKD8MA9EYQCUk+iGw7DXmANkZEDEFCXBwmBVkAZ2cNCU4OXAw result_proc0003_0004 > LrY20ANJ19Ck1VQIws2s+ARxA5CEFZyJwJ9PEBJ1yADUptCIwprxIBd7UADURrAJwfo9xAN7fbDUkH0HwChD/AR46YCkSroKw+sr+AVkdPDkXIdLw result_proc0003_0004 > LXUUDBNu8HDUse7CwcFoHBhjLSDELSb+v45qMBFu54C0kChAwyb4QBB1XLDUwjmBw8z1IBBWFBEUIKr+vkNNLBh8/IEkzilEwDK6MBRSDgE0YGXEw+tBJBJ+UuEkhrsDwC+mRBNwKkE0WVyEwlYD/AxXQGDkeJjBwpRWGBhpgJDEFmv0v3ipLBR7AFEUhHT4viTLFBFdDKEkHsL9vR8OIBhfIHEEQWvHwmSpOB5zN+DUcxmFw result_proc0003_0004 > L48NMBlFjOCkAsZAwsOvQBR/RlBEewlBwRO3OBNV0LA0RwHDwfhFKBVLqx/j1J+Cwj6gUBpE9fBkkHk5vxHUaBhx1QBUVRx8vSqNbBZHbxAkXWtCwAhydBNs2kBk2QF1vQqpIBtEWBCk8t7+v+b7SBBHDAC0D/9EwJQSUBBBnNCEV79xvEwPTBtkDsA0nFowv result_proc0003_0004 > LxrpSBdTEq+DgCmEwa5ZRBdtPD1Li4DGwoj/QBBNsv9rdQIBwRorRBlMAy7rhVP5v1J/PB1cnGAs8MnBw2mfWBJ71R/DK4sEwySpNBVTaW276dIIwf0fUBxHlc7r6IXIw result_proc0003_0004 68c68 < SCORE: 28.814 -26.108 2.945 29.462 0.053 1.439 -1.503 -11.555 0.000 -0.483 -2.613 -1.775 0.000 0.000 1.968 15.943 -6.908 0.000 2.313 25.636 .00 4.000 1.000 result_proc0003_0005 --- > SCORE: 24.170 -25.303 3.394 26.888 0.036 1.408 -2.214 -2.783 0.000 -1.604 0.000 0.000 0.000 0.000 1.084 11.536 -8.167 0.000 2.313 17.581 .00 2.000 1.000 result_proc0003_0002 82c82 < ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]X[DPP]X[DDAB:SidechainConjugation]GGGGGGGE[DGLU:SidechainConjugation]DG[GLY:CtermProteinFull] result_proc0003_0005 --- > ANNOTATED_SEQUENCE: G[GLY:NtermProteinFull]X[DPP]X[DDAB:SidechainConjugation]GGGGGGGE[DGLU:SidechainConjugation]DG[GLY:CtermProteinFull] result_proc0003_0002 84,96c84,96 < LMviD/QZUvGk8RFIQNuR9/4VbrGESIfIQvIv9/subfG0PkBJQHAODAVzCZG0lpdGQNO1E/sdM3G0U+dHQ1qaF+EpkrGkLFCFQbBfL84I3tGkzDuJQKbPIAlWMtGE+WcFQVW6FA1spvGUgYKKQ result_proc0003_0005 < LxVU0/QCbcGExQgLQHd0u/QQMRGkplNMQD5rt+g+xPGk7tROQY0Oa+82KWG0YPEQQI0UMAp+jMGUPWQNQfXqcA1roLGUI4BLQJN4w/gyDiG0/27MQMfdl/YZ2MG08gaKQLrbJABIoEGUDYFOQXuvSAV7wRGks2zOQ059gAFt7SG0eLdKQ8MSWA1LCIGkHRZJQ3YzkAJMYHGkPCnLQ result_proc0003_0005 < LWJO4+yFYHGkIW8NQ8Y+t/u7ZEGky47PQODMJAjHgMGUnyAQQ2YCTAzFMOGk5qDRQKyl//2tcyFE4/WPQYVgb/+RDiFk7RlOQMjvr++ZomFkvL6LQhvuU/upUbFkNE4JQhr8s+im7CGkk+QMQKyad/qbVEGk+s8QQBvaLAXIVzFULKvNQ4mIIArCdsFkU5jQQDVEs/G9ISFEWiiOQXcbB++1GiFkKCCQQBiww+sT2xFkP/vLQ result_proc0003_0005 < LZblNA3sfRG03nvNQ5xlcAXiaaG0pZoNQgwjpAHgkWGk2g+MQpAQxAb0ZZGU42VOQSGWGAHKDPGkn3CMQDwocAHpleGUh3iPQs0UXArRIgG0G2HMQ result_proc0003_0005 < LhseqAHiGQGkJX4KQW/z0Aza3LGEBfCKQavE0AnQrGG0O8kGQy1prAT9nCGkMcBFQ6c2jAXTEOG0v/1JQ4Rm3A/2AGGUSxfLQInr6AH2TSGU3o/JQ result_proc0003_0005 < L5F88Afu0GGUOUpDQGGI9AbcwCGUbFX8Pii7ABbuEvFk7f67PHgu8AnGifFkiXH/PGI3BBbM1JGkZoPFQh95AB7EIIGUzPr2PxTB1ALDqCGkA0J5P result_proc0003_0005 < Lfy1FBPAftFE4V23PdEXIBz1xYFExCI0P802JBL8+NFEZQSAQxQpKBHvj6E0OYfAQ1T4HBT796FUVVR0P8d7LBzd7aFEF0YhPx5oFBXWiOFk9dlkP result_proc0003_0005 < LDhPKBnMsaFU/0

linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_terminal_disulfide_tails_2 「click to collapse/expand」

Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_terminal_disulfide_tails_2/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_terminal_disulfide_tails_2/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_terminal_disulfide_tails_2/mpi_log_1.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_terminal_disulfide_tails_2/mpi_log_1.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_terminal_disulfide_tails_2/out.silent and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_terminal_disulfide_tails_2/out.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_terminal_disulfide_tails_2/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_terminal_disulfide_tails_2/mpi_log_0.filt 4c4 < Summary for 4 job(s) returning results: --- > Summary for 2 job(s) returning results: 6,10c6,8 < 1 4 4.13631 -6.27109 2 1 1 < 1 3 3.96237 3.80332 3 1 1 < 1 2 4.44948 4.39175 4 1 1 < 1 1 3.42831 25.9948 5 2 1 < End summary for 4 job(s) returning results. --- > 1 2 3.78493 -10.1006 3 1 1 > 1 1 3.52563 8.65604 8 2 1 > End summary for 2 job(s) returning results. 12c10 < PNear: 1.92128e-30 --- > PNear: 1.29942e-25 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_terminal_disulfide_tails_2/mpi_log_1.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_terminal_disulfide_tails_2/mpi_log_1.filt 41c41 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) 1 3.42831 25.9948 5 2 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) 1 3.52563 8.65604 8 2 58,67c58,59 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Closure successful. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Setting up terminal disulfide bond between residue 2 atom SG and residue 13 atom SG. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Applying final FastRelax, round 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Applying final FastRelax, round 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Applying final FastRelax, round 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Applying final FastRelax, round 4. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Applying final FastRelax, round 5. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Result RMSD Energy Hbonds CisPepBonds < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) 1 4.44948 4.39175 4 1 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) 1 jobs attempted. 1 jobs returned solutions. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Closure failed. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) 1 jobs attempted. 0 jobs returned solutions. 91c83 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) 1 3.96237 3.80332 3 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) 1 3.78493 -10.1006 3 1 108,117c100,101 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Closure successful. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Setting up terminal disulfide bond between residue 2 atom SG and residue 13 atom SG. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Applying final FastRelax, round 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Applying final FastRelax, round 2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Applying final FastRelax, round 3. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Applying final FastRelax, round 4. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Applying final FastRelax, round 5. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Result RMSD Energy Hbonds CisPepBonds < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) 1 4.13631 -6.27109 2 1 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) 1 jobs attempted. 1 jobs returned solutions. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) Closure failed. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (1) 1 jobs attempted. 0 jobs returned solutions. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_terminal_disulfide_tails_2/out.silent /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_terminal_disulfide_tails_2/out.silent 4c4 < SCORE: -6.271 -56.829 12.860 43.277 0.175 3.121 -1.970 -16.121 0.071 -1.834 0.000 -7.834 0.000 -1.027 1.105 17.343 -3.488 0.009 5.757 -0.886 .00 4.136 2.000 1.000 result_proc0001_0005 --- > SCORE: -10.101 -53.580 9.623 32.904 0.171 3.452 -0.631 -8.629 0.188 -2.437 0.000 -1.942 -2.706 -1.441 0.491 14.856 -3.790 0.000 5.757 -2.386 .00 3.785 3.000 1.000 result_proc0001_0004 20c20 < ANNOTATED_SEQUENCE: T[THR:NtermProteinFull]C[CYS:disulfide]NDPRIVEYPDC[CYS:disulfide]LV[VAL:CtermProteinFull] result_proc0001_0005 --- > ANNOTATED_SEQUENCE: T[THR:NtermProteinFull]C[CYS:disulfide]NDPRIVEYPDC[CYS:disulfide]LV[VAL:CtermProteinFull] result_proc0001_0004 22,36c22,36 < Ll4gUDRqFpNEjQyxQnWkUDRY2nNkZN1xQ6XXUDtJtmNES1yxQj/OUDFF3lNUKv1xQ2meUDJTBoNEQK7xQwMJUDFYhoNEKo7xQl+tUDRR/oN0i29xQzkpUDRi0pN0o5zxQLUlUDdm9oNkrcuxQSYRUDJTVpNEnZyxQYP1UDRelnN0d70xQugfUDpdDnN0gK9xQcCGUD1UFpNUSn4xQTrpUDRLGpNUgDCyQCQ+UDZsmoNUzi9xQICtUDRZ9pN0847xQ result_proc0001_0005 < LMxVUDFwrmNEKitxQWtIUD5SslNEdxqxQjmWUDNWqkNUo7nxQ4qSUDBYdjNkUToxQ9A6TDJeXmN0gsmxQnenTD9bjnN0OlpxQXzdUDByXnNUMXrxQW1+TDxaLlN0KutxQKqDUDNE5mNUsujxQYwwTDV6mlN0vlkxQ result_proc0001_0005 < Ll3mUDt9IlNUEGlxQ1E1UDF2QkNkDFixQ2cpUDd0njNEKYdxQFkxUDlBsiNEP5axQsl+UDVxMjNEqslxQA+IVDJ8xjNUcmqxQ8FVVDZOwkNkhQqxQycEVDl8MjNkLKvxQVdpUDlwImNUpBlxQFFCVDJT3kNUzbgxQyDyUDJcgiNUT8mxQSfKVD9CoiNEFfjxQe5KVD58ijNkcjyxQmj6UDdtaiNE8PvxQ result_proc0001_0005 < L0ZWUDFTIkNUELcxQIGKUD1xpjNEcmXxQ2jMUDFblkN0g0SxQqqHUD5ixlNEMKTxQCayTD1ehjN0JEZxQP5tTDZ4ViN0VvcxQZb4TDZoVhN0bMcxQb9fTDNHdiNEmDgxQuSQUD5V3kNEAfexQCHQUDB2qiNkudWxQxDtTDp6bkN0aCbxQ98oTD9CajNkcbVxQ result_proc0001_0005 < LQLUUDNZCkNkhXOxQG9WUDFF0kN0ueJxQ2WCUDFCilN0Z8HxQj6wTDpB+kNUlWIxQSFdUDN9vjNUQWFxQNNoUDFwsiNUZiIxQh0bUDNnoiNUisNxQ2UUUDtgBkNkUXOxQNCkUDJSilNkZDKxQspOUDF8XjNE0UDxQRXnUDRRMkNkuPCxQBJoUD9lvhNU7WGxQzE5UDJU+iN0WJJxQuaOUDph7hNEgQNxQWhmUD1ZUiNE/8QxQ result_proc0001_0005 < LweEUD5wxmNUJLGxQgNyTDV3inN0ePExQpaiTDFJ1nNEVvIxQUDQTDZzMoNU7vHxQc0mTDtFzmNUJx/wQH00TDJucmNkm/6wQCVoTDljylNEfr2wQOp1TD9GdlN0iGywQHzuTDFGykN0ZwtwQXzaTD1bYkNEOdtwQ6L8TDlshkNk2ypwQPITUDFENnNEtKGxQCB4TDRsfoNEArCxQENgTD5m3lN0tUBxQyfZTDliZnNkdT+wQq67TDx8WnNk/X5wQjeBUDtJxlNEZQ8wQUQhTD5q3kNUBN4wQtrbTD9YdmNkAV1wQhIFUD1yvlNU9LywQbkQTDF+kkNUCfwwQDrVTDxM4jNkxMqwQ/jLUDdb1kN0mBqwQxD3TDteBkN0himwQ result_proc0001_0005 < L4qpTD5BqnNE9rNxQggdTD9OGoNE0VSxQJyoTDldPpNUcNVxQ5E8TDV8LpNETLWxQW8ZTDNx7mNEkRWxQE+NTDlgylNUbhTxQFvNTDFYanNkVLbxQf/3SDBBLmNk+gRxQl+3TDhTNnNkNPOxQ38NTDdFdoN0d/QxQ9WpTDhQimNEfiXxQhUXTDdeblNE1IQxQQLMTDlR9kNUmTWxQHWLTDJ8kmNUf6dxQZ2WTD9ZMoNUhLdxQVP+SDhuznNUC9ZxQkgwSDZyTlNUdnPxQIKuSD9KgmNEh3UxQlb5SDps+mNkVnOxQ result_proc0001_0005 < LlocTD5yRqN0FkWxQAVlTDtDbrN0tcZxQj1tTDtsArNEm6exQa7iTDhvUqNkX9hxQVBUTDVTgsNESKaxQxOcTDFVotN0EtdxQDNNTDJhCtNEcuUxQN+MTDZdRqN0akVxQ6dyTDZ11rN0aHXxQEQGTD9LEsNkeLcxQpyPTDhsYuNkmKexQGegTD9wOtNkonhxQ7SqTDFRFuN0n3bxQQ9ATDNaztNEmQVxQy/aTDBTetNErsSxQFxGTDpWOsNUWUSxQ result_proc0001_0005 < LcYBUDtzbrNE+IgxQ6wLUDh9DrNEUJlxQjqEUDF79rN0jtpxQGaRUDF6usNUr4rxQOHkUD9zHrNU/ikxQCjtUDhjBqNUODhxQAktUDxdroN0EvjxQKSpUDR4noN0McoxQA3xUDFMtnNk9EhxQAQJUDt6BsNUVidxQiLHUDVgCqNUmImxQuroUDBQFsN0y0ixQxjrUDZYDrNkteoxQkSkUDpR9pN0cXdxQK59UDt0SqN0o/fxQ result_proc0001_0005 < LHQwTD1D4rNkmJrxQCOnTDJRusNU1UvxQTdrTDBJJsNE+20xQyIvTDJU8qN0gc1xQ1KPTDNS6sN0IduxQHZCTD5aorNEu7uxQea5SD9nRrNEbzzxQ5p/SD1J0qN0HgqxQovtSDx2GqNkWP0xQJ/zSDRZppNED8qxQgDrSD9tSpNkIyvxQrbfSDFQIoN08NwxQxvmTDF8MrNkZTpxQT9uTD9ustNkwIvxQL+ITDB5ntNU7XxxQCYMTD1EVtNkhfqxQOk7SDht6rNEXS3xQTuGTDFCGrNkQrmxQQsmSDx80pN0ME4xQH2xSD5RApN0JdnxQGjgSDpbonN0Z8sxQ result_proc0001_0005 < L16qTDFJAtNkP64xQUvvTD1tlsNkzX+xQEmgTD9WfrNEvOAyQ5/NTDZmcrNkfn+xQImsTDdU4tNEBlByQBPxTDJ19uNEbq9xQp2nTDdDeuN0+e4xQj8qTD9oAtNEU34xQ0cAUDZ4PsNkSl+xQKMcTDZL7tNkVKDyQpd3TDRI5tNkfCFyQD/pTDFS6vNETA/xQYlCUDx6IvNUyZ9xQyzWTDFVvuNUrS4xQLqwTDxM6uNEtG1xQ result_proc0001_0005 < LeqoTDBjmqNkboDyQpYbTDNtkpNU9FGyQqGPTDBHyoNkt4ByQKr7SDZBnoNEOTCyQWrLTDBxMqN0UEKyQL0WTDZQ6qNUdrOyQusmTDFCaqN0wjQyQUVPTD5x8rNkuRQyQtZ4TDVCpqNkRiEyQxwlTDpf4oNEFQIyQhgBTDNs6qNUX/HyQjTBTDBIbpNE/sLyQ result_proc0001_0005 < LRjaTDRhToNUh19xQ6hQTDhynnNEaV5xQc6DTD52ZmN0UM7xQ09KTDJpqlNU9t+xQHZhTD1rLnNEHR1xQoZWTDhdhmNUdHvxQ+mqTD1vaoNUJ49xQ/jFTDRKUoNUmY3xQimrTDx6BoN0pQ0xQHjrTDJkamNkXC3xQ result_proc0001_0005 < L2NxSDJuMmNENz4xQTOjSDBPGlNUrV6xQd8nSDJQ2jNE6D3xQOVbSDxv5iNUYA3xQ2tLSD19flNkhn5xQbRESDBPtmN0f68xQ57sRDNeAnNEMp7xQ4RHSDBeamNEp1CyQ9ksSD1l0mNEt11xQ4AmSDdk3kN0pi+xQJ/ISDJuulN0oa1xQbqBSDNrpkNk7s6xQ0rNSD1TlnNkW07xQapnRD1Y3nNkE/9xQKTrRDZ4OnN0ZZ3xQ8IjRD5CJmN01o8xQ//BSDlaRnNkmLFyQx29RDddilNEI8DyQzIYSDFFOmNETpDyQ result_proc0001_0005 < L6L6SDhW2jNkOV0xQ7iBTDZ+qiNkXbxxQqzATDVdbhNUq80xQoSDTD52ghNki05xQkx9SDZfWgNkg+yxQDkYTDFn4iNkfZvxQnxnTDRPGjN0oE0xQchfTDRVshNEtCsxQ8LDTDxBskN0FR0xQeE3SDpDhiN0n/txQkDZTDdeyjNky9sxQH+3TDtyPjNEKkyxQz0iTDZf+jNEVV2xQ6dnTDpNOiNEvq2xQizvTDhb2hNUlnqxQI8eTDtaygN0DeuxQhzUTDBalhNERooxQ result_proc0001_0005 --- > L5mOTDNRegNkmdjxQeaiTDJgNhNkJWkxQvVfTD1wsiN0aTjxQO0hTDlrKjN0lyexQRj0TDh/qgN0zxgxQ3z3TDp2RfNUT3hxQXOJUD9gbhNkG1hxQIFRTDdEgfNUILkxQFSDTD5N0gNks7lxQ32JTD1EmgN0JrfxQuInTD9lFhNk9goxQFJwTDNYygNUglcxQnI/TDh33eNU15exQ/2VUD5RChNkcRfxQa2GUDpNfiNkr9gxQ9yNUDN3ThN0bAmxQ result_proc0001_0004 > Lh7ZTDRKcjNEPgnxQp9TTDF71kN0b8mxQiPnTD1uslNUYelxQv3kTD9Z0mNkKhjxQfHKTDJhXlNEkIsxQjAdTDZ2ilNkakxxQ78ZTDNUBjNUcLrxQcGITD1P7kN0+wjxQ61CTDt3VmN0OarxQYd9SDZVskNUIctxQ result_proc0001_0004 > LhV6TDdmKlNUdbmxQPEOUDpP5lNUzVlxQ8JZUDp8WlNEzWgxQfpsUDV3dlNEHzfxQ19cUDlX1lNkMIqxQVOjUD9TbkNEojrxQg4WUDx6ejN0WuqxQ0K2UDpHRkNUVstxQIN7TDVzOkNEp8nxQwDKUDBF8mN0UkkxQ/arUDRDamNE3RpxQ0NVUDlySmNkwktxQ8L7UDRmWjN0VuuxQDo/UDJzDlNkzSuxQ result_proc0001_0004 > LynMUDF8xkNUWvcxQbtUUD1RYkNkogXxQwAeUD1XklNklfUxQAxUUD97pmN0SeUxQR6CUDtCvjN08LUxQLVLUDBq/iNkETPxQ4CRUD5JpjNEneLxQ69LUDlbyhNkjbPxQ0F9TDxTnkNkwodxQ5ahUDhZpjN0/FYxQy/5TDVFCjNkvqWxQNv3TDFQgkNEA3SxQ result_proc0001_0004 > L+WwUD5vWlNUo8RxQZ76UDZKamN0r5OxQjgrUDlZEnNEY/KxQz8tUDdePoNkLoJxQd0MVDVEqlNE/+LxQKmSVDxFjkNEnsPxQSi9UDFUGkNUEASxQcvwUDdqVlNUD9RxQ0jBVDByJnNU5rRxQ5BHVDxCTlNUhFIxQ/RaVDJkVmNUoLLxQn4aVDF2vjNURgNxQ3wdVDVM6kNUrxSxQVi2UDZqUjNUzaPxQVDAVDxotjNktEWxQ result_proc0001_0004 > L7nbUDZuTmNUgMJxQe4MUDN1xmNEfFFxQaU7TDtbpnNENfHxQJytTDxhLoN0UnExQZyCUDRnmlN0FKCxQqJSUDJxykNk2u+wQTbIUDl2gjNku88wQa+FUDZukiNkHWBxQvn8TDhUXhNEt7AxQ770TDNo9gN0wT8wQ7K7TDFOlgNEULFxQjtZUDhVYlN05tKxQJ2VUDpEYnNkNNCxQZl7TD5J7kNUFDFxQVC2TDRw9lNEtj/wQxhWUDhoXlNEeM7wQiggUDRIkkNEWCBxQWq4TDtNtjNUaQ7wQzlSUDpYDjNEQ75wQasLUDVP2iNk99ExQ3C2TDR7jhNEJE5wQR7tTDtnDgNE+/7wQIFBUDh+4gN04uIxQiK0TDpPrfNEi3ExQ result_proc0001_0004 > Lxn7TDBWynNEcxMxQ/mrTDxQloNE4kPxQko0TDZ07pNUYPRxQ7MFUD9lAqNUu4TxQgRjTDNp1nNEIjUxQorXTDNcjmNU45SxQ/hUTD5JvoNElyXxQGiSTDZwolNEUiXxQjPHUD1FVnNEx5OxQ9MeTD5WwoNET4MxQOvwTDhginNU6CXxQMxITD1qzmNU44QxQFhhTDBDAmNk7DQxQuxOTDBfMoNEdSbxQbRdTDt1npNE3EZxQD9GTDNYCpN0JVVxQqVKTD95vkN0bDWxQXUhTD52VlNE3hZxQyOITDhDKmNEeXaxQ result_proc0001_0004 > L9opTDtJArNEKrPxQIHwTDlkWsN0iKRxQeTnTDBCvsNUvoWxQ6byTDNJWtNUY4ZxQOPoTDFeXtN0z9MxQgMtTDJbyuNkBwOxQDiyTDZlEtNkJlHxQcdcTDRB4qNEIZNxQniBUD96YsNUcURxQr5WTD1WStN0DnMxQEhnTDFdfvNEHvLxQoMlTDpS/uNkiiSxQza+TDt05uNU8PPxQm4sTDlrytN0WoExQ73DUDlVJtNEV8HxQYOuTDZIEsNUeTGxQ result_proc0001_0004 > LOQTTDBxXsNE4oXxQLmITDFhusN0LocxQVQVTDtKPsN06chxQMycTDlYGrNEdjhxQ39xSDxLJsNUBxcxQQnkSDlplsNEWihxQl7NSD12FsN07ShxQRHJSDZOUrNk2ydxQtZBSDlPfsNklnkxQ5LLTDtb1rNU33UxQqfHTDlE0tNUB3cxQdbpSDFdbsNU5IZxQ42ySDVhDrN0o1cxQjCsSDF7NsNUNMlxQZkkSDJTrtNENthxQ result_proc0001_0004 > LCjXTD1hGtNEfclxQA6jTDFlxsNUwNqxQLAcTDB7erNEVxsxQG0ITDtYTrNUZntxQQ7iTDlF7tN0LQuxQJDxTDJButN0RGzxQj5GUD9e8tNUAvyxQyJoTDtkTtNE353xQGzTUDFjwtNEOK3xQOD1TD9oHtNUCV8xQXyKUD5BWtNk497xQloXUDFJKtNE9XAyQEjQTD5nAuN00KlxQUi0TDR1nsNE/CpxQFunTDdj2uNUiTsxQxgSTDhODuNEWovxQI5NUDZRRuNkN9uxQG/WTDNJItNEFM4xQk9kUDR67tNE832xQvDuTDJzysNEyGAyQ1EPUDZl2sNUhUDyQ result_proc0001_0004 > LA6qTDFilqN0r/txQhglTDZPUpNUThwxQSDYTDZ5hpN0zh1xQM/bTDhEdqNkGo4xQfd7TDVRuoNEM3xxQg3JUDxzQpNkRotxQ+VCUD5YrqNEnzsxQGPrTDpblqNEG9txQX7cTDFyroNUNotxQ1TAUDBoBpNUl61xQZm6TDN9nnNk81xxQ3oaUD9UNpNUh8uxQEnIUDV0poNEr+pxQumKUD58VrNE1ovxQRjFUDBA/qNkEqoxQ result_proc0001_0004 > LzJITDxzqoN0MT2xQAC6SD16woN0R76xQ6y2SDJyZnNEUi9xQKMoSDhBOnNkcwAyQQWkSD5TWpNEUT5xQfUYSDZBeoNk2V1xQCogSDxMcnNkn4zxQk8GSD1Y1oNE8zzxQjyFTDte7nN0MnzxQGZBTDZabpNEy29xQTcaSDd5epNEe28xQzsmSDVOVqN0ig3xQ result_proc0001_0004 > LbgETDN1cmNEKI8xQBCDTDJWGlN0SS+xQoVWTDVQxkNk1wByQeHXTDl9tjNUQUEyQ3YBTDVxEkNk/w5xQz2ZTDB42jNEBA2xQRQQTDRxqmN0lf5xQWp0SD1CClNUIvAyQ+28SDhwGjN0ba7xQc20SDtFYkNkK/2xQ result_proc0001_0004 > Lv5lTDdKrlNEI2ByQ4U6TDRYalN0gdEyQGL5TDF1tlNkLbKyQZCDUDxtqmNECWMyQcEMUDBIQmNkD4ByQSLPUDNMDmNE917xQFOhUDlm8mNUA45xQICUUDZflkNk8t6xQhhjTDJSkmNkODAyQXM+TD92WkNku9DyQejIUD5hTnNU5iCyQuLbUD9EBmNkj1DyQcnAUDRuVmNkQv5xQQbjUD5azmNUol1xQ5LdUDdT/nN0Oq6xQ69vUDJQsmN0f97xQrOWUDVSckNkdb2xQlmiUD56SkNEP08xQSwGUD1B+jNEZG8xQ result_proc0001_0004 > LfEtTD9v5kNUuVNyQdbpTD9qIlNEiBTyQmM2TDRHKkNU+bWyQCb6TDd4BjN01xUyQAR8TDVBfkN0KzayQodRTDZ0/kNUSWUyQMqNTD1CNlNUVTayQ5kETDJq/lNEwERyQxNmTDBgGkNElkLyQgiuTDFoJmN04+TyQVSMTD5++jNk+YTyQzo8SD1iGlN0rKbyQ8kWTDZOdkN03jcyQSATTDN2MmNEwcbyQbpzSDdA5lNU1BSyQh0JTDReAnNUBBSyQZBHTDJTzlNk40MyQ result_proc0001_0004

linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_thioether_lariat 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.simple_cycpep_predict_thioether_lariat」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_thioether_lariat/mpi_log_0.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_thioether_lariat/mpi_log_0.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_thioether_lariat/mpi_log_1.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_thioether_lariat/mpi_log_1.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_thioether_lariat/mpi_log_2.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_thioether_lariat/mpi_log_2.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_thioether_lariat/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_thioether_lariat/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/simple_cycpep_predict_thioether_lariat/out_mpi.silent and /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_thioether_lariat/out_mpi.silent differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_thioether_lariat/mpi_log_0.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_thioether_lariat/mpi_log_0.filt 5c5 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 2 job(s), the last from node 1. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (0) Empreror node (0) has received 1 set(s) of job summaries, representing 3 job(s), the last from node 1. 7c7 < Summary for 2 job(s) returning results: --- > Summary for 3 job(s) returning results: 9,11c9,12 < 3 1 0 68.7235 4 1 3,2,1 < 3 2 0 260.993 2 1 3,2,1 < End summary for 2 job(s) returning results. --- > 3 3 0 2.40958 1 1 3,2,1 > 3 1 0 68.7422 4 1 3,2,1 > 3 2 0 186.226 3 1 3,2,1 > End summary for 3 job(s) returning results. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_thioether_lariat/mpi_log_1.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_thioether_lariat/mpi_log_1.filt 8c8 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 2 job(s), the last from node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (1) Intermediate manager process 1 has received a total of 1 summary set(s) for a total of 3 job(s), the last from node 2. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_thioether_lariat/mpi_log_2.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_thioether_lariat/mpi_log_2.filt 8c8 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Intermediate manager process 2 has received a total of 1 summary set(s) for a total of 2 job(s), the last from node 3. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (2) Intermediate manager process 2 has received a total of 1 summary set(s) for a total of 3 job(s), the last from node 3. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_thioether_lariat/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_thioether_lariat/mpi_log_3.filt 34c34 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 68.7235 4 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 68.7422 4 1 48,49c48,52 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure failed. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 jobs attempted. 0 jobs returned solutions. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure successful. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 1. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Result RMSD Energy Hbonds CisPepBonds > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 186.226 3 1 > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 jobs attempted. 1 jobs returned solutions. 62,64c65 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure successful. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Applying final FastRelax, round 1. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Final hbond count is 0, which is less than the minimum. Failing job. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) Closure failed. 81c82 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 260.993 2 1 --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication: (3) 1 -- 2.40958 1 1 85c86 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 sent job summaries for 2 job(s) to node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 sent job summaries for 3 job(s) to node 2. 87,88c88,89 < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-1, 3-2. < protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker proc 3 sent 2 structures to node 2. --- > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker process 3 received requests for the following job(s): 3-3, 3-1, 3-2. > protocols.cyclic_peptide_predict.SimpleCycpepPredictApplication_MPI: (3) Worker proc 3 sent 3 structures to node 2. diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/simple_cycpep_predict_thioether_lariat/out_mpi.silent /home/benchmark/working_dir/commits:20505/simple_cycpep_predict_thioether_lariat/out_mpi.silent 4c4,28 < SCORE: 68.724 -33.941 74.849 20.496 0.149 0.423 -0.704 -15.157 0.000 -3.524 0.000 0.000 0.000 0.000 4.143 10.293 0.760 0.000 8.800 2.135 .00 4.000 1.000 result_proc0003_0002 --- > SCORE: 2.410 -23.753 3.604 12.058 0.440 0.489 -0.974 -5.649 0.000 -0.879 0.000 0.000 0.000 0.000 0.841 5.755 0.410 0.000 8.800 1.268 .00 1.000 1.000 result_proc0003_0005 > REMARK PDBinfo-LABEL: 1 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 2 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 3 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 4 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 5 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 6 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 7 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 8 PEPTIDE_STUB_EXTENSION > REMARK PDBinfo-LABEL: 9 PEPTIDE_STUB_EXTENSION > ANNOTATED_SEQUENCE: V[VAL:AcetylatedNtermConnectionProteinFull]X[DORN]I[DILE]X[AIB]L[DLEU]ELX[DPP]C[CYS:CtermProteinFull:SidechainConjugation] result_proc0003_0005 > NONCANONICAL_CONNECTION: 9 SG 1 CP2 > Lb9F4/ua5X9D2H2QQ+VZHA3CYO+jxzFSQ4Prv/ibfy+jRpOTQmQ3s+i+Wm/DC6/SQ7YbEA/S9R+DnwRPQ71C2/uvaw9T4xNNQgExaAr6wc/jveTPQAFrVATRCv27X4dSQViSjAr2Tj6L6bZRQi0+HAvb/p+b0PqSQGmtaArjHiBkNLyOQURjV/Oe+W7zwg4QQdYhRAjmj+/zbj8RQ6iniAnnAl+zzF0NQ371gA/yHI/TpkoQQkxFeA3FoR4zROZTQU8QoArDoV+76frRQwoRoAza5R8zXTTRQ36yeAfO5G8bWdcQQfaLSA7U7KAMMT7SQ6P/+/aOrG/rQAvRQcC44/ukhT+LPVdTQ result_proc0003_0005 > LTFS+/WRxW+DxSdUQgCCl/qMVB/jT0oVQT/0AAHLEj/zx51WQQfMMAj25h9D3oTXQGxvK+eL1G7D9B9VQNvgR/wq+v8DiQHXQf4Z5/EEAa77cHTXQpnvLA5jKO4L6TNYQ9U0NAT/vF9zS9kUQFIKG/iDEbAkwtbVQGLo4+I0m64DGsEVQXeuN/iP/F87hYMWQPnIS+IwvL9jrBBYQIGlp/4esP/DbG7WQ9U6FAdFfM8LdVYWQ8/2o/UWSu+bgrgXQDLSWAxwPm9bnMQYQLlbDA9XVj0rU3oYQzUvTAl1t38z1LHYQ result_proc0003_0005 > Lp2MAAfhOABUxBWXQw/cLAP7iWB0JVSYQiUi5/C4pCCUDbxYQwzdJ/KIMMCEBHnYQUTJfAL2QHC0wsIYQ/3PYAjgCyCE4aqXQJFOnAbR2fBksyVXQzWMlATNiRDEmFfXQ46av/GrwtBEgL3WQWy3QADTvbA0TmhYQ9PujAHdoOCEgdmYQl78QAXgdsCEeFsWQiIKMAXF2AD03iJYQhXIuA3vKEC07zIXQLS3pAXcokA0C4zXQZjJjA/QHRBE83ZWQE1HiALzDvDErLDXQgRyoAjbdYDkUlOYQamNrAnK3DDU2w0WQ result_proc0003_0005 > LHkAFAjR0LC07hXZQUZPy/ylakC0MQ3ZQptKa/W0aLDk3EjZQylQn+UJWMD0T7cZQ4Nk++qYmHC0g4KaQ6MqIAP3MzCEOTaaQBI5TAnXeBCUSteZQIWmJ+koR2BEufyZQQOk79kROZCkcphaQM9Hc/6xJZBkqMbaQuPoQAjMTYCUVroaQGxQAAbhaEDUwTzaQo72UAL7/HDUvANaQ result_proc0003_0005 > LQA72/i3lrDU00YZQpx4m/28LJEUBcEZQWI3AAfqGPEUTgdYQ1WdUAb0JNE0LFeYQSl1m/CrybEUmckZQUA4o+GL2YEEL5LaQrbnF/mRyqEUTuraQQafk/QKpYEU0K+ZQghPLA/lHpDEuUfZQT4TR+6YTGEk445YQ44tDAjVUeEEnqvZQRqpY/6XOqE0t7TZQ8e/D/qZvJEEJhbaQ1exQ94NsoEUdwHbQ/nS0/iJXqEU+d1aQGpOv+eOJ6EEVzcaQsU14/YWiWEUONaaQb+Ts/4CwnE0OluZQ/X2p/czfLEkR4nZQ result_proc0003_0005 > LGyYs/S9VWEUOZ3XQ5ZNBA3CoeEE8GsWQ/sQ9/q+nPE0D+fVQDm5BATG+VEkniWUQpvfx/u630EkcJVWQXv64/muxFFUCsZXQUsyp/WYobFk+N/WQlMVT/2LsdFkDe5VQrwXu/yfSqFk20wXQiuSw+qhGWEE0K4XQqWOSA/14fEU3t6WQlSu8+St+zEEMHJWQkFXAAzrY6E0UYaVQWigNAT4jGFEv7nXQtlSo/WQ/AF0/7JYQ result_proc0003_0005 > LIvfx/q4Y3DUe6xVQ73Qp/+dGYDEhruUQgsZJA/ZzEDkAVNUQYaONA7GbeC0hVWUQz/Dw+imc0Ck6SQVQZ19f/Y85CDU11wVQxLz3/IWscCUXFWWQ3hC5/QfAXDUGrnUQU2Ku/qMiuDkTuvWQCXfS/6TOoD0yz5TQzRbY/K1OkCk5xEWQfjTW+OZWdCkbFdUQ0grX/goWaD0H2jWQhBiLAl+9mCUNOtWQOsdl/MBVPCEtELXQ3u97/gObECktukVQXzJMAdvThDkg0+UQhTP9/Ulk/CENr0TQEAkn/wUkyDk0BPUQ result_proc0003_0005 > LR3xWAT8ofDEIxmTQuD7lAPQ9RDE8eJTQiGWmAnLGPD0LOoRQvDohA3japDEMY7QQfbguA/FXwDEHOqTQF9k5A34ofDE0TVTQKNPSAryT+DkKgdTQDpcnAvhFyCEYFjTQ1NgtAvYzHEU5QMTQndytArwnzD0PcvUQkAX7AXGpFDUEI5TQ9ZH6Aba3WD0+7WSQa7R/ALg01DUFAhTQ result_proc0003_0005 > LZrBsA7L/uCEo8HRQR7IuAL7frCE+4YPQ7R15A/V20C06swOQttcABDh2sC022MQQdBQ8A3dMEDUaUpMQ34SrA7Tj9BUC6XOQastaAfmZhBkeYyOQHQqaAXUpf/TrITPQvM9uAfdaYC0E1vRQgNLpALkyCDUn9VOQuLGwAnUDOBEFWbPQxaPtAfiw4BUDRQMQ result_proc0003_0005 > SEQUENCE: VXIXLELXC > SCORE: score fa_atr fa_rep fa_sol fa_intra_rep fa_intra_sol_xover4 lk_ball_wtd fa_elec pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun p_aa_pp yhh_planarity ref rama_prepro HBOND_COUNT CIS_PEPTIDE_BOND_COUNT description > REMARK BINARY SILENTFILE > SCORE: 68.742 -33.946 74.883 20.486 0.150 0.423 -0.692 -15.230 0.000 -3.435 0.000 0.000 0.000 0.000 4.135 10.306 0.756 0.000 8.800 2.106 .00 4.000 1.000 result_proc0003_0002 16,24c40,48 < LZ6/t/KJgl+b734MwDoCn/+mLY3zzDMMwGZOV+GVnB9jknDOwXNTM/UTL+2jIhFPwwa0JAv5R1/rCDdMwLE6MAnuJEBc7/DNwmF7aAnBOL+r4EGLwlYNO/eV0i5jrFSJwSEOS/Eg6myD53JJw7Hij/CpqJ/D8nIIwWnnRAjW546rOq5Hwc7wL/Cero/bbruNwU9sCA/zzi8jqXXMwrcbgAHEMO67h8UMwS9FkAPHee/bXBlKwWorl/6/AS87U9FIwHu0j/IWtX3Dh/KGw3RKh/QPA49rTy6JwJ67o/kk2H9TVNXKw3yXQ/K3OT/j/LKEwPKNK/SpgXAUaOVJwNDIDAbbHX/Ds4KIw result_proc0003_0002 < LnTLu+axvDAUHJfOwD4p4+wIZxAEJqOQwwVr0++ijPBk+hZRwY0fw/K2MwBEcUNRw2E2k/oOn9BUrfKPwOH4BAl7slBUgk7Mw4XyMAtdRaC0T1xLwPm/bAZOHPC0kOmJw0Aph/WcUkAUi5aNwy3Sm/IrpFAEtunQwS4d0+4GsUCkkgVOwBBz2/8aRQCkR0VQwdVDOANVU6AkOTtNwqBYy/83FFBkLxVLw5guAAFNEwC098+KwGkkVA1quqCUzyWNw+SchAdcEqCUH54IwmmtjApZt2B07RUKwb6AUAJ+UACUxoGIw result_proc0003_0002 < L1fI29g/bEBEKEnSweAKM/qXhQB0UU0Twe2wn/6MnVCUbZ5Twwx6/+K+x0CEpvxTwvR0E+Aad9A0q7EVwa2xH/oEwA/jwcEVwNlkK/qDHQBkEOVWwEtEA/6EP97TRiBVwU3Zi/E2KzAUYosSwGt+w/2POkA0FgyTwZpKh/4ZclBkhBFVw0Lho/ggbr+zoQNUw+x6m/c2Ho+DNo9Vwjmoe9KQQCBU9lNXwSFOd/quoJC0TzVWwf03x/2HIoA073VWwEZ6q9mSPD8LjYBVwlKfk/Cp2e8DBh5Vw+82i/2oFl8j1qHUw result_proc0003_0002 < LZf0IAPIGZCEhWGUwCeaTAXeoCDETlJUwsISQAjlPbDkqX2SwxIJeAva7aDkLZ+Rw7ltlAL6k7CUWqYUw257JAHslcDU13TVwvBoRAHkj8BEaKOUwvxEpArPmnC0nfnTwPl/pAnHwZDESjYUwPAEnAzs1rC0rkVVwtznLAHuoLDUFZPWw107RAnrN7D0NMaVwm4Ay/GjQiDkwsJVw result_proc0003_0002 < LZ6+7/eyjwD0JnuSwlN/0/uqlHEk4mpRwNtXp/6Qi4DUadWQw4b6C+qd44D0d72PwpMvC/SDVXE0iDCSweSST/yYzkEUnbSTwT4C1+w1uyE010kTwpVvAAn1ZyEEBQFTwhVak/S3arDEDoZTwlqPJAHUhQEktbfRwANLw+YkWOEUDXMSwTcMx+6XTiEkNzMRw0mwc/ymQaE0oNJUwCkEb+4eT8Ekt8dUwMnJp/AVloEUKOvTweQQG/wbS9EUemuSwBBsDAjO+7EU7Z+Twmfw8/CA+8EkhiOSwsdcOA/HCoEkLX5Sw result_proc0003_0002 < LCZmEAnH3kDEcKcPwfCIBAT4ZND0LQ9MwNRdKA/scgCkOkHNwSTSBA3Y/BCknuDMwRZCLArFglDETSmKwKivBAja8IEU7KIKwMYjLAjcHUEkxzhHwiSpZAD3ILE0olGFw6Z8EAvBqlEkfzVGwGQfTA/HMmDEvEHQwbmwf/6nmKDkk5nMwJvMcA3UApDkN66Kwiz2IAzM+SDUfXxIwaGIh/yTgHEk/VzJwuLOEA/amSEkfg6Lw result_proc0003_0002 < LQsvcA3GgcCEY1cOwGIZlATAfvBESfEOw05elA3ktSBE9MKLwIbojALyvHAUy1jKwK80hAv2IlAEmT3PwFn3iAL/V0AUbScRwFpBcAfpNS/TqhMSwglmuAXiAABkRYzRwOAhgAP5jzCUbrwPwMwftAHW/ACkCFoOw817SAv0/WA0FPcPwB1kmALhtZ/jcXXPwX/1cAn/stBkw/tRwQOgdAvZ1n/ThMRTwuhKLAb8BG/jUw7Rw8AOiADzH68z8R7RwZ8VvAzh3KBUJE4Sw+gDzAjhpGAk6xhRwkL1xArE42BEh4QRw result_proc0003_0002 < L8ZpnAvUXHC0RzWJwkwLlAn6dBCkc1DFwdLyoATnLrAE6AHDwp85xAjpMRAkRlAEwljYqAvfjkC0rCvBwpNWlA32nPDEVl6CwzkFrATQ+iC0LY9Jw24DZAjPXDCUgvkEwd5WpAzjcdC04p/6v2C5yA/hNmCUT4qCwwHYnATFBaDkhAnGwUjfaA7Q6NDEBVxCwnBxnAnIMmD0HFSAw result_proc0003_0002 < LVPkhAf3e7/zXzbAwxQmjAfFEW8TKMq9vRoUVAXpyo1Dz8E1vsF4CAbIFx7z7zB3veGJZATLHG9LqucHPvXskAD+Kh6LeWvDw4E1RArRM567TE8HwC4taAnJDK+LSBELwZr+UADRBZA0/e++vT+ErAfkMO8z+sL5vMscmA3cvq+blodCwaOZrADXeLzz9OLGw result_proc0003_0002 --- > LZ6/t/KJgl+b734MwDoCn/+mLY3zzDMMwGZOV+GVnB9jknDOwAdWM/cLu+2TlYFPwwa0JAv5R1/rCDdMwLE6MAnuJEBc7/DNwmF7aAnBOL+r4EGLwlYNO/eV0i5jrFSJwXLOS/cegoyDG4JJwZeij/yAqJ/zZnIIwMjnRA/B04671r5Hwc7wL/Cero/bbruNwU9sCA/zzi8jqXXMwZfbgAjZOO6748UMwm7FkADTee/reAlKw8Zrl/eaCS87k9FIwnx0j/IgGY3j6/KGw3lKh/wO839L5y6Jwzv7o/4Q7H9DTNXKwifYQ/KPOT/z7KKEw/TOK/qrgXAEoNVJwWPIDALpFX/jB4KIw result_proc0003_0002 > L2nSu+uiuDAEwSfOwRaZ4+kxVxAkO0OQwLGK1+eAmPBEfkZRwvoiw/eagwBEoMNRwnS3k/Ijf9B0X7KPw+5uBABKklB0l96MwqisMAJjKaCU1YxLwh0ybAFA/OCkpDlJwHpqh/axTkAkNDbNw7mLm/QdjFAU5/nQwYDt0+kA1UCkC/WOwV8E3/Yj/PCES9VQwdt4NA9Jy5A0vorNw310x/kYZFBkbUVLwuMqAAdsHwCkdR/Kw/BlVANbcqCEcQWNwDKXhARj6pCUr23IwohmjAleJ2BEbZSKw8SuTA5QXACEWjFIw result_proc0003_0002 > Lr6Ey9AIQEBE2LnSwH/2M/SSXQB0cT0TwGO3n/+CoVC0yk5TwaAi/+62q0CUPXyTw66cA+YCu8A0OCFVws8OG/on+++jlSEVwhR3L/mcTPB0TNVWwou6B/aCG57TXrAVw7bHi/8hyyA0M6sSwuFdx/ObYkAUpJyTwO8tg/kBbkBkmfFVwC43n/Eowp+zDSNUwYK9l/oucl+zzn9Vw8P2r9iJCBB0kqNXwT3Le/+uRJCka/VWw4dny/SWmnAkpfVWw8MM89K70F8LBYAVwl3il/Gnjc8j3d4VwPGmj/iw0k8DgpGUw result_proc0003_0002 > LG53IAX9UZC0eMGUwfbWTArs+CDkmiJUws8GQAL4pbDELe2SwDTBeAD63bDk4s+RwTcslADbL8C0JZYUwRk1JADUvcD09BUVw74wRALiM9B0cqNUwApEpAbbVoCE2EnTwDs7pAj0caDk+WYUwzQFnA3hZsCkPNVVwzdmLADCvLDUHdPWwPIwRA7lc7DkqbaVwQixx/upOiDEVBKVw result_proc0003_0002 > L/zU7/K/awDEomuSw3vB0/CpkHE0a6pRwcxqo/+dm4DUChWQwP7f79yD34D0ta2PwqlJA/S/FXEkmpCSwLJ+P/2AdkEEfeTTwHYy8+c7KyEkSDmTwA8l//ihQyEUW8GTwVnuj/e4xqD0wTZTw/+qIAP+qQEUU9fRwGEt0+gO9NE0thMSw2hcr++LJiE0/sNRwckqZ/yE1ZEkD+JUwN6Tm+AYq7EUoffUwgm6q/wI4nEkY+vTwhPWK/USz8E09GwSwZYnCA/tv7E0uaAUw1qw6/u158EUXhQSw3omNAPOCoE0S66Sw result_proc0003_0002 > L56UEAb+GlD0qjcPwZs9AA3mnNDkok9MwuNVKAbvsgCUNUINw8iFBAPAHCCESFGMwhD8KAn7ulDEg6mKw+5vBAvSHJEkwSJKwbDgLAHzOUE0tDjHwZEbZAf8ILE0JnFFwoKBFAn91lE0UhYGwInMTAnlmmDUEaHQwIBLf/qFwKDUwmnMwb2GcAT9DpDk8n7KwoBuIA30TTDkfxxIw/sFh/ulxHEUrW1JwTDYEAHRwSE0Ug7Lw result_proc0003_0002 > L34ucA3m7cC0BJcOwsOYlA/4TwBU+nDOwN1YlAzVJTBE7kJLwGcfjAzqJIA0aBkKwgf3hAftMmA06d3Pwne9iA/y61A09PcRwc5WcAD0eV/jTDNSwa7suADjICBEyzyRwIyjgAvFJ0CU1+uPw9yftAn1cBCUJJmOwSdATAz31XAkiKdPw8xnmAXe1b/jLwXPw43+cALuMvBEw2tRwJM6dAPZ1r/TwoRTwj6eLA/ZgI/zsp8RwgIaiATw8A9TJ77Rw/oevAb9WNBEOa3SwbSLzAbq2IAE9ThRwFF4xATz84B0f6PRw result_proc0003_0002 > LaNinATkbHCEBeVJwnSClAzBUBCU7pBFwe+roAn/7qAk8nFDwo2zxArBMRAEZlAEwGAKqAnhbkCEhNrBw/GJlA72ePDkm24CwmH/qAvBFjCEnU7Jw6HwYAjE/CCEumjEwHPCpADNWdCUrr46vYzryAjGGmCkv9jCwwTQnALz2ZDU4lkGw3AFaAjcwND0+hyCw37fnADeEmDUGoPAw result_proc0003_0002 > LesghAr4k6/DDhZAwuOljATAJU8DGAo9vejVVArZOw0T0rA1vmg3CAfkVo7jhl62vf5NZADdHK9Ls5WIPr6

linux.gcc.mpi.serialization.integration.mpi.threefold_symm_peptide_design 「click to collapse/expand」

WARNING: Sub-test log is too large to be fully displayed here, please visit sub-test「linux.gcc.mpi.serialization.integration.mpi.threefold_symm_peptide_design」page to see full log! Brief Diff: Files /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/mpi_log_1.filt and /home/benchmark/working_dir/commits:20505/threefold_symm_peptide_design/mpi_log_1.filt differ Files /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/mpi_log_3.filt and /home/benchmark/working_dir/commits:20505/threefold_symm_peptide_design/mpi_log_3.filt differ Files /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/S_0001.pdb and /home/benchmark/working_dir/commits:20505/threefold_symm_peptide_design/S_0001.pdb differ Files /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/S_0003.pdb and /home/benchmark/working_dir/commits:20505/threefold_symm_peptide_design/S_0003.pdb differ Files /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/score_sorted.sc and /home/benchmark/working_dir/commits:20505/threefold_symm_peptide_design/score_sorted.sc differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/mpi_log_1.filt /home/benchmark/working_dir/commits:20505/threefold_symm_peptide_design/mpi_log_1.filt 1055,1059c1055,1059 < fa_atr 1.000 -250.595 -250.595 < fa_rep 0.550 63.338 34.836 < fa_sol 0.938 176.442 165.414 < fa_intra_rep 0.005 100.015 0.500 < fa_elec 0.875 -30.285 -26.499 --- > fa_atr 1.000 -250.599 -250.599 > fa_rep 0.550 63.351 34.843 > fa_sol 0.938 176.446 165.418 > fa_intra_rep 0.005 100.014 0.500 > fa_elec 0.875 -30.289 -26.503 1072c1072 < fa_dun 0.700 113.064 79.145 --- > fa_dun 0.700 113.061 79.143 1157c1157 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -64.7979 0 0 0.03245 --- > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -64.8044 0 0 0.03245 1161,1167c1161,1168 < core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: PRDDLRRLVDCIRLLRDPRDX, best_energy: -128.131 < protocols.relax.FastRelax: (1) CMD: repack -120.953 0 0 0.03245 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -112.348 0 0 0.0506 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 3.8147e-06 Deriv= -0.0305705 Finite Diff= 0.0206721 < protocols.relax.FastRelax: (1) CMD: min -152.41 0.827457 0.827457 0.0506 < protocols.relax.FastRelax: (1) CMD: coord_cst_weight -152.41 0.827457 0.827457 0.0506 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -121.132 0.827457 0.827457 0.154 --- > core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: PRDDLRRLVDCIRLLRDPRDX, best_energy: -128.136 > protocols.relax.FastRelax: (1) CMD: repack -120.958 0 0 0.03245 > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -112.353 0 0 0.0506 > core.optimization.LineMinimizer: (1) Inaccurate G in step= 1.90735e-06 Deriv= -0.0536689 Finite Diff= 0.0142556 > core.optimization.LineMinimizer: (1) Inaccurate G in step= 4.33152e-09 Deriv= -1.57197 Finite Diff= -0.000459312 > protocols.relax.FastRelax: (1) CMD: min -152.428 0.83245 0.83245 0.0506 > protocols.relax.FastRelax: (1) CMD: coord_cst_weight -152.428 0.83245 0.83245 0.0506 > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -121.041 0.83245 0.83245 0.154 1171,1177c1172,1177 < core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: PRPDLRRLVDCIRLLRDPRDX, best_energy: -128.365 < protocols.relax.FastRelax: (1) CMD: repack -128.275 0.827457 0.827457 0.154 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -121.592 0.827457 0.827457 0.17765 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 1.90735e-06 Deriv= -0.0991857 Finite Diff= 0.117627 < protocols.relax.FastRelax: (1) CMD: min -132.008 1.14532 1.14532 0.17765 < protocols.relax.FastRelax: (1) CMD: coord_cst_weight -132.008 1.14532 1.14532 0.17765 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -113.619 1.14532 1.14532 0.3124 --- > core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: PRPDLRRLVDCIRLLRDPRDX, best_energy: -128.314 > protocols.relax.FastRelax: (1) CMD: repack -128.229 0.83245 0.83245 0.154 > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -121.531 0.83245 0.83245 0.17765 > protocols.relax.FastRelax: (1) CMD: min -131.382 1.11579 1.11579 0.17765 > protocols.relax.FastRelax: (1) CMD: coord_cst_weight -131.382 1.11579 1.11579 0.17765 > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -112.82 1.11579 1.11579 0.3124 1179c1179 < core.pack.pack_rotamers: (1) built 474 rotamers at 21 positions. --- > core.pack.pack_rotamers: (1) built 465 rotamers at 21 positions. 1181,1190c1181,1189 < core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: PRPDLRRLRDCIRLLRLPDDX, best_energy: -113.811 < protocols.relax.FastRelax: (1) CMD: repack -114.262 1.14532 1.14532 0.3124 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -109.449 1.14532 1.14532 0.34815 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 9.53674e-09 Deriv= -2006.83 Finite Diff= 446.836 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 4.18367e-09 Deriv= -395.283 Finite Diff= 85.3704 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 5.9462e-07 Deriv= -164.627 Finite Diff= -11.8631 < core.optimization.Minimizer: (1) Line search failed even after resetting Hessian; aborting at iter#8 < protocols.relax.FastRelax: (1) CMD: min -109.463 1.14535 1.14535 0.34815 < protocols.relax.FastRelax: (1) CMD: coord_cst_weight -109.463 1.14535 1.14535 0.34815 < protocols.relax.FastRelax: (1) CMD: scale:fa_rep -82.3779 1.14535 1.14535 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: PRPDLRRLVDCIRLLRLPDDX, best_energy: -111.183 > protocols.relax.FastRelax: (1) CMD: repack -110.98 1.11579 1.11579 0.3124 > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -106.063 1.11579 1.11579 0.34815 > core.optimization.LineMinimizer: (1) Inaccurate G in step= 4.76837e-09 Deriv= -412.497 Finite Diff= 117.106 > core.optimization.LineMinimizer: (1) Inaccurate G in step= 7.86092e-07 Deriv= -94.1963 Finite Diff= 9.43017 > core.optimization.Minimizer: (1) Line search failed even after resetting Hessian; aborting at iter#4 > protocols.relax.FastRelax: (1) CMD: min -106.068 1.11564 1.11564 0.34815 > protocols.relax.FastRelax: (1) CMD: coord_cst_weight -106.068 1.11564 1.11564 0.34815 > protocols.relax.FastRelax: (1) CMD: scale:fa_rep -78.3568 1.11564 1.11564 0.55 1192c1191 < core.pack.pack_rotamers: (1) built 453 rotamers at 21 positions. --- > core.pack.pack_rotamers: (1) built 460 rotamers at 21 positions. 1194,1205c1193,1199 < core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: DRPDLRDLLRCLDLLRLPRDX, best_energy: -79.867 < protocols.relax.FastRelax: (1) CMD: repack -79.7844 1.14535 1.14535 0.55 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 4.76837e-07 Deriv= -0.10868 Finite Diff= 0.0672272 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 2.08562e-08 Deriv= -1.1317 Finite Diff= 9.50179 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 6.91643e-09 Deriv= -2.4541 Finite Diff= 17.2759 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 2.83491e-09 Deriv= -0.129569 Finite Diff= 0.948634 < core.optimization.LineMinimizer: (1) Inaccurate G in step= 1.67908e-06 Deriv= -20.6461 Finite Diff= -0.388696 < core.optimization.Minimizer: (1) Line search failed even after resetting Hessian; aborting at iter#74 < protocols.relax.FastRelax: (1) CMD: min -111.042 1.37981 1.37981 0.55 < protocols.relax.FastRelax: (1) MRP: 0 -111.042 -111.042 1.37981 1.37981 < protocols.relax.FastRelax: (1) CMD: accept_to_best -111.042 1.37981 1.37981 0.55 < protocols.relax.FastRelax: (1) CMD: endrepeat -111.042 1.37981 1.37981 0.55 --- > core.pack.annealer.FixbbSimAnnealer: (1) pack_rotamers run final: DRPDLRDLLRCLDLLRLPRDX, best_energy: -81.2527 > protocols.relax.FastRelax: (1) CMD: repack -81.0812 1.11564 1.11564 0.55 > core.optimization.LineMinimizer: (1) Inaccurate G in step= 9.53674e-07 Deriv= -0.0785125 Finite Diff= 0.00601795 > protocols.relax.FastRelax: (1) CMD: min -111.28 1.31946 1.31946 0.55 > protocols.relax.FastRelax: (1) MRP: 0 -111.28 -111.28 1.31946 1.31946 > protocols.relax.FastRelax: (1) CMD: accept_to_best -111.28 1.31946 1.31946 0.55 > protocols.relax.FastRelax: (1) CMD: endrepeat -111.28 1.31946 1.31946 0.55 1211,1217c1205,1211 < fa_atr 1.000 -279.893 -279.893 < fa_rep 0.550 56.276 30.952 < fa_sol 0.938 166.984 156.547 < fa_intra_rep 0.005 104.137 0.521 < fa_elec 0.875 -38.079 -33.319 < pro_close 1.250 0.117 0.147 < hbond_sr_bb 1.170 -23.805 -27.852 --- > fa_atr 1.000 -280.078 -280.078 > fa_rep 0.550 56.202 30.911 > fa_sol 0.938 166.898 156.467 > fa_intra_rep 0.005 108.060 0.540 > fa_elec 0.875 -35.820 -31.342 > pro_close 1.250 0.118 0.148 > hbond_sr_bb 1.170 -23.871 -27.929 1219,1220c1213,1214 < hbond_bb_sc 1.170 -1.329 -1.555 < hbond_sc 1.100 -4.255 -4.680 --- > hbond_bb_sc 1.170 -1.359 -1.590 > hbond_sc 1.100 -3.309 -3.640 1222c1216 < atom_pair_constraint 0.333 0.020 0.007 --- > atom_pair_constraint 0.333 0.018 0.006 1224,1229c1218,1223 < angle_constraint 0.333 0.011 0.004 < dihedral_constraint 0.333 10.418 3.469 < rama 0.250 -22.242 -5.561 < omega 0.625 8.441 5.276 < fa_dun 0.700 106.161 74.313 < p_aa_pp 0.400 -17.284 -6.914 --- > angle_constraint 0.333 0.002 0.001 > dihedral_constraint 0.333 10.372 3.454 > rama 0.250 -23.037 -5.759 > omega 0.625 7.545 4.716 > fa_dun 0.700 103.170 72.219 > p_aa_pp 0.400 -17.248 -6.899 1233c1227 < Total weighted score: -111.042 --- > Total weighted score: -111.280 1247c1241 < protocols.rosetta_scripts.ParsedProtocol: (1) Set filter value for bad_linker_filter to: 3.47952 --- > protocols.rosetta_scripts.ParsedProtocol: (1) Set filter value for bad_linker_filter to: 3.46033 1249c1243 < protocols.rosetta_scripts.ParsedProtocol.REPORT: (1) Weighted score of total_score 3.47952 --- > protocols.rosetta_scripts.ParsedProtocol.REPORT: (1) Weighted score of total_score 3.46033 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62109/threefold_symm_peptide_design/mpi_log_3.filt /home/benchmark/working_dir/commits:20505/threefold_symm_peptide_design/mpi_log_3.filt 977,978c977,978 < fa_atr 1.000 -257.393 -257.393 < fa_rep 0.550 225.406 123.973 --- > fa_atr 1.000 -257.392 -257.392 > fa_rep 0.550 225.405 123.973 988c988 < atom_pair_constraint 0.333 133.493 44.453 --- > atom_pair_constraint 0.333 133.494 44.454 1079c1079 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 8.7768 0 0 0.03245 --- > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 8.77749 0 0 0.03245 1083,1089c1083,1088 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: PIDDARRARDCVDVVRDPDPX, best_energy: -10.327 < protocols.relax.FastRelax: (3) CMD: repack -8.65559 0 0 0.03245 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep 4.81516 0 0 0.0506 < core.optimization.LineMinimizer: (3) Inaccurate G in step= 4.76837e-07 Deriv= -0.088316 Finite Diff= 0.0174721 < protocols.relax.FastRelax: (3) CMD: min -108.714 0.723953 0.723953 0.0506 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -108.714 0.723953 0.723953 0.0506 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -69.2075 0.723953 0.723953 0.154 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: PIDDARRARDCVDVVRDPDPX, best_energy: -10.3267 > protocols.relax.FastRelax: (3) CMD: repack -8.6552 0 0 0.03245 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep 4.81553 0 0 0.0506 > protocols.relax.FastRelax: (3) CMD: min -107.394 0.667984 0.667984 0.0506 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -107.394 0.667984 0.667984 0.0506 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -68.174 0.667984 0.667984 0.154 1091c1090 < core.pack.pack_rotamers: (3) built 461 rotamers at 21 positions. --- > core.pack.pack_rotamers: (3) built 464 rotamers at 21 positions. 1093,1101c1092,1103 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: PIPDARRAIRCVDLVRDPDPX, best_energy: -75.7125 < protocols.relax.FastRelax: (3) CMD: repack -76.4522 0.723953 0.723953 0.154 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -68.3871 0.723953 0.723953 0.17765 < core.optimization.LineMinimizer: (3) Inaccurate G in step= 3.8147e-06 Deriv= -0.0685921 Finite Diff= 0.0466694 < core.optimization.LineMinimizer: (3) Inaccurate G in step= 1.13824e-06 Deriv= -44.9279 Finite Diff= 5.4914 < core.optimization.Minimizer: (3) Line search failed even after resetting Hessian; aborting at iter#83 < protocols.relax.FastRelax: (3) CMD: min -96.009 0.67253 0.67253 0.17765 < protocols.relax.FastRelax: (3) CMD: coord_cst_weight -96.009 0.67253 0.67253 0.17765 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -73.9491 0.67253 0.67253 0.3124 --- > core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: PIPDARRAIRCVDLVRDPDPX, best_energy: -74.083 > protocols.relax.FastRelax: (3) CMD: repack -73.7086 0.667984 0.667984 0.154 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -65.668 0.667984 0.667984 0.17765 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 3.8147e-06 Deriv= -0.592696 Finite Diff= -0.0428676 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 3.11036e-09 Deriv= -27.1947 Finite Diff= 106.247 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 6.58212e-09 Deriv= -3.10571 Finite Diff= 8.78515 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 7.54061e-09 Deriv= -2.54567 Finite Diff= 9.17867 > core.optimization.LineMinimizer: (3) Inaccurate G in step= 1.11904e-06 Deriv= -46.4823 Finite Diff= 0.142224 > core.optimization.Minimizer: (3) Line search failed even after resetting Hessian; aborting at iter#40 > protocols.relax.FastRelax: (3) CMD: min -90.352 0.657797 0.657797 0.17765 > protocols.relax.FastRelax: (3) CMD: coord_cst_weight -90.352 0.657797 0.657797 0.17765 > protocols.relax.FastRelax: (3) CMD: scale:fa_rep -68.5694 0.657797 0.657797 0.3124 1103c1105 < core.pack.pack_rotamers: (3) built 462 rotamers at 21 positions. --- > core.pack.pack_rotamers: (3) built 476 rotamers at 21 positions. 1105,1110c1107,1117 < core.pack.annealer.FixbbSimAnnealer: (3) pack_rotamers run final: DVPDARRAIRCVDLVRDPDPX, best_energy: -74.5666 < protocols.relax.FastRelax: (3) CMD: repack -75.2809 0.67253 0.67253 0.3124 < protocols.relax.FastRelax: (3) CMD: scale:fa_rep -69.4522 0.67253 0.67253 0.34815 < protocols.relax.FastRelax: (3) CMD: min -75.1378 0.684991 0.684991 0.34815 < protocols

All sub-tests

JSON output

{ "compared_with_test": { "full_name": "linux.gcc.mpi.serialization.integration.mpi", "name": "integration.mpi", "platform": { "compiler": "gcc", "extras": [ "mpi", "serialization" ], "os": "linux" }, "platform_as_string": "linux.gcc.mpi.serialization", "revision": { "branch": "main", "revision_id": 62109 }, "state": "failed", "test_id": 827817 }, "summary": { "failed": 23, "failed_tests": [ "simple_cycpep_predict_cterm_isopeptide_lariat", "mpi_simple_cycpep_predict_computing_pnear_to_all", "simple_cycpep_predict_thioether_lariat", "helical_bundle_predict", "simple_cycpep_predict_beta_thioether_lariat", "simple_cycpep_predict_nterm_isopeptide_lariat", "helical_bundle_predict_psipred", "helical_bundle_predict_skipping_residues", "simple_cycpep_predict_cterm_isopeptide_lariat_tailless", "backbonegridsampler_nstruct_mode", "simple_cycpep_predict_terminal_disulfide_tails_2", "helical_bundle_predict_psipred_with_helix_globals", "simple_cycpep_predict_lanthionine", "helical_bundle_predict_sequence", "simple_cycpep_predict_design", "simple_cycpep_predict_sidechain_isopeptide", "simple_cycpep_predict_bondangle_bondlength", "replica_docking", "simple_cycpep_predict_nterm_isopeptide_lariat_tailless", "mpi_simple_cycpep_predict", "mpi_simple_cycpep_predict_4level", "simple_cycpep_predict_sidechain_isopeptide_reverse", "threefold_symm_peptide_design" ], "total": 28 }, "tests": { "backbonegridsampler_nstruct_mode": { "state": "failed" }, "database_md5": { "state": "passed" }, "features_pdb_mpi": { "state": "passed" }, "helical_bundle_predict": { "state": "failed" }, "helical_bundle_predict_psipred": { "state": "failed" }, "helical_bundle_predict_psipred_with_helix_globals": { "state": "failed" }, "helical_bundle_predict_sequence": { "state": "failed" }, "helical_bundle_predict_skipping_residues": { "state": "failed" }, "mpi_simple_cycpep_predict": { "state": "failed" }, "mpi_simple_cycpep_predict_4level": { "state": "failed" }, "mpi_simple_cycpep_predict_computing_pnear_to_all": { "state": "failed" }, "recon_design_mpi": { "state": "passed" }, "replica_docking": { "state": "script failed" }, "simple_cycpep_predict_beta_thioether_lariat": { "state": "failed" }, "simple_cycpep_predict_bondangle_bondlength": { "state": "failed" }, "simple_cycpep_predict_cterm_isopeptide_lariat": { "state": "failed" }, "simple_cycpep_predict_cterm_isopeptide_lariat_tailless": { "state": "failed" }, "simple_cycpep_predict_design": { "state": "failed" }, "simple_cycpep_predict_lanthionine": { "state": "failed" }, "simple_cycpep_predict_nterm_isopeptide_lariat": { "state": "failed" }, "simple_cycpep_predict_nterm_isopeptide_lariat_tailless": { "state": "failed" }, "simple_cycpep_predict_sidechain_isopeptide": { "state": "failed" }, "simple_cycpep_predict_sidechain_isopeptide_reverse": { "state": "failed" }, "simple_cycpep_predict_terminal_disulfide": { "state": "passed" }, "simple_cycpep_predict_terminal_disulfide_tails": { "state": "passed" }, "simple_cycpep_predict_terminal_disulfide_tails_2": { "state": "failed" }, "simple_cycpep_predict_thioether_lariat": { "state": "failed" }, "threefold_symm_peptide_design": { "state": "failed" } } }

integration test suite description

integration test suite

(plain)

debug

release_debug

release_debug_with_symbols

mpi

pytorch

tensorflow

thread

bcl