Branch: rosetta:commits 「revision: №20464」
Test: linux.clang.integration.release_debug_no_symbols
SubTest: glycopeptidedocking
SubTest files: 「file-system-view」
Daemon: hojo-4    
State: glycopeptidedocking

Brief Diff: Files /home/benchmark/working_dir/main:62124/glycopeptidedocking/info.log and /home/benchmark/working_dir/commits:20464/glycopeptidedocking/info.log differ Files /home/benchmark/working_dir/main:62124/glycopeptidedocking/output/ppGalNAc-T2_UDP_glycopeptide.DSTTPAP.ppk_0001.pdb and /home/benchmark/working_dir/commits:20464/glycopeptidedocking/output/ppGalNAc-T2_UDP_glycopeptide.DSTTPAP.ppk_0001.pdb differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62124/glycopeptidedocking/info.log /home/benchmark/working_dir/commits:20464/glycopeptidedocking/info.log 82c82 < protocols.glycopeptide_docking.GlycopeptideDockingFlags: Upstream and downstream AB PX --- > protocols.glycopeptide_docking.GlycopeptideDockingFlags: Upstream and downstream ABB PX 100c100 < protocols.glycopeptide_docking.GlycopeptideDockingProtocol: FOLD_TREE EDGE 1 205 -1 EDGE 205 494 -1 EDGE 205 500 1 EDGE 494 495 2 EDGE 500 497 -1 EDGE 500 503 -1 EDGE 495 496 -1 EDGE 500 504 -2 OG1 C1 --- > protocols.glycopeptide_docking.GlycopeptideDockingProtocol: FOLD_TREE EDGE 1 205 -1 EDGE 205 494 -1 EDGE 205 500 1 EDGE 494 495 2 EDGE 495 496 3 EDGE 500 497 -1 EDGE 500 503 -1 EDGE 500 504 -2 OG1 C1 143c143 < protocols.glycopeptide_docking.GlycopeptideDockingLowResRefinement: FOLD_TREE EDGE 1 205 -1 EDGE 205 494 -1 EDGE 205 500 1 EDGE 494 495 2 EDGE 500 497 -1 EDGE 500 503 -1 EDGE 495 496 -1 EDGE 500 504 -2 OG1 C1 --- > protocols.glycopeptide_docking.GlycopeptideDockingLowResRefinement: FOLD_TREE EDGE 1 205 -1 EDGE 205 494 -1 EDGE 205 500 1 EDGE 494 495 2 EDGE 495 496 3 EDGE 500 497 -1 EDGE 500 503 -1 EDGE 500 504 -2 OG1 C1 217c217 < protocols.glycopeptide_docking.GlycopeptideDockingHighResRefinement: FOLD_TREE EDGE 1 205 -1 EDGE 205 494 -1 EDGE 205 500 1 EDGE 494 495 2 EDGE 500 497 -1 EDGE 500 503 -1 EDGE 495 496 -1 EDGE 500 504 -2 OG1 C1 --- > protocols.glycopeptide_docking.GlycopeptideDockingHighResRefinement: FOLD_TREE EDGE 1 205 -1 EDGE 205 494 -1 EDGE 205 500 1 EDGE 494 495 2 EDGE 495 496 3 EDGE 500 497 -1 EDGE 500 503 -1 EDGE 500 504 -2 OG1 C1 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62124/glycopeptidedocking/output/ppGalNAc-T2_UDP_glycopeptide.DSTTPAP.ppk_0001.pdb /home/benchmark/working_dir/commits:20464/glycopeptidedocking/output/ppGalNAc-T2_UDP_glycopeptide.DSTTPAP.ppk_0001.pdb 7865,7900d7864 < HETATM 7847 C1' UDP B 2 -17.637 35.370 -33.245 1.00 0.00 C < HETATM 7848 C2' UDP B 2 -17.789 36.686 -32.512 1.00 0.00 C < HETATM 7849 C3' UDP B 2 -16.481 36.662 -31.770 1.00 0.00 C < HETATM 7850 C4' UDP B 2 -16.359 35.322 -31.287 1.00 0.00 C < HETATM 7851 C5' UDP B 2 -16.710 34.962 -29.807 1.00 0.00 C < HETATM 7852 O5' UDP B 2 -18.045 35.394 -29.586 1.00 0.00 O < HETATM 7853 PA UDP B 2 -18.287 36.424 -28.452 1.00 0.00 P < HETATM 7854 3OPA UDP B 2 -18.304 35.499 -27.151 1.00 0.00 O < HETATM 7855 PB UDP B 2 -17.743 35.838 -25.666 1.00 0.00 P < HETATM 7856 3OPB UDP B 2 -18.546 36.966 -24.877 1.00 0.00 O < HETATM 7857 O4' UDP B 2 -17.097 34.547 -32.213 1.00 0.00 O < HETATM 7858 1OPA UDP B 2 -17.227 37.386 -28.311 1.00 0.00 O < HETATM 7859 2OPA UDP B 2 -19.731 37.025 -28.570 1.00 0.00 O < HETATM 7860 1OPB UDP B 2 -16.281 36.255 -25.735 1.00 0.00 O < HETATM 7861 2OPB UDP B 2 -18.019 34.585 -24.801 1.00 0.00 O < HETATM 7862 N1 UDP B 2 -19.016 34.905 -33.582 1.00 0.00 N < HETATM 7863 C2 UDP B 2 -19.302 34.601 -34.958 1.00 0.00 C < HETATM 7864 O2 UDP B 2 -18.433 34.721 -35.846 1.00 0.00 O < HETATM 7865 N3 UDP B 2 -20.585 34.163 -35.318 1.00 0.00 N < HETATM 7866 C4 UDP B 2 -21.654 33.989 -34.384 1.00 0.00 C < HETATM 7867 O4 UDP B 2 -22.724 33.610 -34.780 1.00 0.00 O < HETATM 7868 C5 UDP B 2 -21.493 34.264 -32.913 1.00 0.00 C < HETATM 7869 C6 UDP B 2 -20.094 34.742 -32.528 1.00 0.00 C < HETATM 7870 O2' UDP B 2 -17.888 37.977 -33.085 1.00 0.00 O < HETATM 7871 O3' UDP B 2 -15.297 37.034 -32.467 1.00 0.00 O < HETATM 7872 H1' UDP B 2 -17.087 35.507 -34.045 1.00 0.00 H < HETATM 7873 H2' UDP B 2 -18.538 36.440 -31.929 1.00 0.00 H < HETATM 7874 H3' UDP B 2 -16.643 37.264 -31.014 1.00 0.00 H < HETATM 7875 H4' UDP B 2 -15.408 35.143 -31.438 1.00 0.00 H < HETATM 7876 1H5' UDP B 2 -16.657 33.996 -29.652 1.00 0.00 H < HETATM 7877 2H5' UDP B 2 -16.117 35.421 -29.177 1.00 0.00 H < HETATM 7878 H3 UDP B 2 -20.731 33.975 -36.268 1.00 0.00 H < HETATM 7879 H5 UDP B 2 -22.248 34.131 -32.301 1.00 0.00 H < HETATM 7880 H6 UDP B 2 -19.921 34.941 -31.585 1.00 0.00 H < HETATM 7881 HO2' UDP B 2 -18.730 38.042 -33.583 1.00 0.00 H < HETATM 7882 HO3' UDP B 2 -14.534 36.975 -31.854 1.00 0.00 H 7902,7992c7866,7901 < ATOM 7884 N ASP P 1 -28.357 35.273 -23.931 1.00 0.00 G N < ATOM 7885 CA ASP P 1 -28.061 35.081 -22.537 1.00 0.00 G C < ATOM 7886 C ASP P 1 -26.567 35.228 -22.376 1.00 0.00 G C < ATOM 7887 O ASP P 1 -25.950 35.784 -23.243 1.00 0.00 G O < ATOM 7888 CB ASP P 1 -28.529 33.709 -22.046 1.00 0.00 G C < ATOM 7889 CG ASP P 1 -28.725 33.655 -20.537 1.00 0.00 G C < ATOM 7890 OD1 ASP P 1 -28.386 34.610 -19.879 1.00 0.00 G O < ATOM 7891 OD2 ASP P 1 -29.212 32.659 -20.057 1.00 0.00 G O < ATOM 7892 1H ASP P 1 -29.342 35.183 -24.078 1.00 0.00 G H < ATOM 7893 2H ASP P 1 -28.060 36.186 -24.212 1.00 0.00 G H < ATOM 7894 3H ASP P 1 -27.875 34.584 -24.472 1.00 0.00 G H < ATOM 7895 HA ASP P 1 -28.564 35.862 -21.966 1.00 0.00 G H < ATOM 7896 1HB ASP P 1 -29.472 33.452 -22.529 1.00 0.00 G H < ATOM 7897 2HB ASP P 1 -27.798 32.952 -22.330 1.00 0.00 G H < ATOM 7898 N SER P 2 -26.013 34.716 -21.280 1.00 0.00 G N < ATOM 7899 CA SER P 2 -24.679 35.047 -20.730 1.00 0.00 G C < ATOM 7900 C SER P 2 -23.359 34.587 -21.370 1.00 0.00 G C < ATOM 7901 O SER P 2 -23.170 33.425 -21.740 1.00 0.00 G O < ATOM 7902 CB SER P 2 -24.663 34.549 -19.298 1.00 0.00 G C < ATOM 7903 OG SER P 2 -23.405 34.742 -18.713 1.00 0.00 G O < ATOM 7904 H SER P 2 -26.588 34.038 -20.802 1.00 0.00 G H < ATOM 7905 HA SER P 2 -24.521 36.122 -20.828 1.00 0.00 G H < ATOM 7906 1HB SER P 2 -25.421 35.077 -18.720 1.00 0.00 G H < ATOM 7907 2HB SER P 2 -24.917 33.490 -19.279 1.00 0.00 G H < ATOM 7908 HG SER P 2 -22.761 34.529 -19.392 1.00 0.00 G H < ATOM 7909 N THR P 3 -22.435 35.541 -21.395 1.00 0.00 G N < ATOM 7910 CA THR P 3 -21.081 35.472 -21.933 1.00 0.00 G C < ATOM 7911 C THR P 3 -19.998 34.724 -21.111 1.00 0.00 G C < ATOM 7912 O THR P 3 -20.283 34.233 -20.027 1.00 0.00 G O < ATOM 7913 CB THR P 3 -20.584 36.905 -22.195 1.00 0.00 G C < ATOM 7914 OG1 THR P 3 -20.504 37.620 -20.955 1.00 0.00 G O < ATOM 7915 CG2 THR P 3 -21.531 37.635 -23.136 1.00 0.00 G C < ATOM 7916 H THR P 3 -22.755 36.404 -20.978 1.00 0.00 G H < ATOM 7917 HA THR P 3 -21.108 34.907 -22.866 1.00 0.00 G H < ATOM 7918 HB THR P 3 -19.591 36.870 -22.643 1.00 0.00 G H < ATOM 7919 HG1 THR P 3 -19.712 38.163 -20.949 1.00 0.00 G H < ATOM 7920 1HG2 THR P 3 -21.163 38.646 -23.309 1.00 0.00 G H < ATOM 7921 2HG2 THR P 3 -21.585 37.100 -24.084 1.00 0.00 G H < ATOM 7922 3HG2 THR P 3 -22.523 37.682 -22.689 1.00 0.00 G H < ATOM 7923 N THR P 4 -18.779 34.608 -21.658 1.00 80.21 G N < ATOM 7924 CA THR P 4 -17.560 34.147 -20.920 1.00 82.85 G C < ATOM 7925 C THR P 4 -17.116 35.256 -19.908 1.00 87.01 G C < ATOM 7926 O THR P 4 -16.811 36.367 -20.347 1.00 79.12 G O < ATOM 7927 CB THR P 4 -16.377 33.750 -21.889 1.00 76.19 G C < ATOM 7928 OG1 THR P 4 -16.649 32.469 -22.508 1.00 67.09 G O < ATOM 7929 CG2 THR P 4 -15.026 33.654 -21.137 1.00 69.98 G C < ATOM 7930 H THR P 4 -18.700 34.854 -22.634 1.00 0.00 G H < ATOM 7931 HA THR P 4 -17.821 33.262 -20.339 1.00 0.00 G H < ATOM 7932 HB THR P 4 -16.284 34.499 -22.675 1.00 0.00 G H < ATOM 7933 1HG2 THR P 4 -14.238 33.379 -21.838 1.00 0.00 G H < ATOM 7934 2HG2 THR P 4 -14.791 34.618 -20.686 1.00 0.00 G H < ATOM 7935 3HG2 THR P 4 -15.097 32.897 -20.357 1.00 0.00 G H < ATOM 7936 N PRO P 5 -17.123 34.971 -18.563 1.00 0.00 G N < ATOM 7937 CA PRO P 5 -16.782 36.032 -17.565 1.00 0.00 G C < ATOM 7938 C PRO P 5 -15.303 36.466 -17.487 1.00 0.00 G C < ATOM 7939 O PRO P 5 -14.426 35.791 -18.059 1.00 0.00 G O < ATOM 7940 CB PRO P 5 -17.213 35.375 -16.250 1.00 0.00 G C < ATOM 7941 CG PRO P 5 -17.056 33.914 -16.503 1.00 0.00 G C < ATOM 7942 CD PRO P 5 -17.431 33.742 -17.951 1.00 0.00 G C < ATOM 7943 HA PRO P 5 -17.342 36.948 -17.805 1.00 0.00 G H < ATOM 7944 1HB PRO P 5 -16.582 35.735 -15.424 1.00 0.00 G H < ATOM 7945 2HB PRO P 5 -18.249 35.657 -16.010 1.00 0.00 G H < ATOM 7946 1HG PRO P 5 -16.022 33.601 -16.293 1.00 0.00 G H < ATOM 7947 2HG PRO P 5 -17.705 33.340 -15.826 1.00 0.00 G H < ATOM 7948 1HD PRO P 5 -16.829 32.934 -18.392 1.00 0.00 G H < ATOM 7949 2HD PRO P 5 -18.504 33.513 -18.027 1.00 0.00 G H < ATOM 7950 N ALA P 6 -15.084 37.569 -16.736 1.00 0.00 G N < ATOM 7951 CA ALA P 6 -13.794 38.299 -16.564 1.00 0.00 G C < ATOM 7952 C ALA P 6 -12.832 37.685 -15.543 1.00 0.00 G C < ATOM 7953 O ALA P 6 -13.220 37.545 -14.376 1.00 0.00 G O < ATOM 7954 CB ALA P 6 -14.070 39.744 -16.175 1.00 0.00 G C < ATOM 7955 H ALA P 6 -15.906 37.905 -16.256 1.00 0.00 G H < ATOM 7956 HA ALA P 6 -13.282 38.313 -17.526 1.00 0.00 G H < ATOM 7957 1HB ALA P 6 -13.126 40.279 -16.070 1.00 0.00 G H < ATOM 7958 2HB ALA P 6 -14.673 40.220 -16.949 1.00 0.00 G H < ATOM 7959 3HB ALA P 6 -14.608 39.769 -15.229 1.00 0.00 G H < ATOM 7960 N PRO P 7 -11.578 37.330 -15.969 1.00 0.00 G N < ATOM 7961 CA PRO P 7 -10.485 37.034 -15.024 1.00 0.00 G C < ATOM 7962 C PRO P 7 -10.014 38.317 -14.362 1.00 0.00 G C < ATOM 7963 O PRO P 7 -10.789 39.279 -14.333 1.00 0.00 G O < ATOM 7964 OXT PRO P 7 -8.916 38.377 -13.883 1.00 0.00 G O < ATOM 7965 CB PRO P 7 -9.396 36.423 -15.912 1.00 0.00 G C < ATOM 7966 CG PRO P 7 -9.664 36.992 -17.263 1.00 0.00 G C < ATOM 7967 CD PRO P 7 -11.159 37.159 -17.310 1.00 0.00 G C < ATOM 7968 HA PRO P 7 -10.835 36.297 -14.286 1.00 0.00 G H < ATOM 7969 1HB PRO P 7 -8.401 36.691 -15.526 1.00 0.00 G H < ATOM 7970 2HB PRO P 7 -9.464 35.326 -15.890 1.00 0.00 G H < ATOM 7971 1HG PRO P 7 -9.128 37.945 -17.388 1.00 0.00 G H < ATOM 7972 2HG PRO P 7 -9.289 36.313 -18.043 1.00 0.00 G H < ATOM 7973 1HD PRO P 7 -11.411 38.060 -17.887 1.00 0.00 G H < ATOM 7974 2HD PRO P 7 -11.614 36.267 -17.765 1.00 0.00 G H --- > HETATM 7848 C1' UDP B 2 -17.637 35.370 -33.245 1.00 0.00 C > HETATM 7849 C2' UDP B 2 -17.789 36.686 -32.512 1.00 0.00 C > HETATM 7850 C3' UDP B 2 -16.481 36.662 -31.770 1.00 0.00 C > HETATM 7851 C4' UDP B 2 -16.359 35.322 -31.287 1.00 0.00 C > HETATM 7852 C5' UDP B 2 -16.710 34.962 -29.807 1.00 0.00 C > HETATM 7853 O5' UDP B 2 -18.045 35.394 -29.586 1.00 0.00 O > HETATM 7854 PA UDP B 2 -18.287 36.424 -28.452 1.00 0.00 P > HETATM 7855 3OPA UDP B 2 -18.304 35.499 -27.151 1.00 0.00 O > HETATM 7856 PB UDP B 2 -17.743 35.838 -25.666 1.00 0.00 P > HETATM 7857 3OPB UDP B 2 -18.546 36.966 -24.877 1.00 0.00 O > HETATM 7858 O4' UDP B 2 -17.097 34.547 -32.213 1.00 0.00 O > HETATM 7859 1OPA UDP B 2 -17.227 37.386 -28.311 1.00 0.00 O > HETATM 7860 2OPA UDP B 2 -19.731 37.025 -28.570 1.00 0.00 O > HETATM 7861 1OPB UDP B 2 -16.281 36.255 -25.735 1.00 0.00 O > HETATM 7862 2OPB UDP B 2 -18.019 34.585 -24.801 1.00 0.00 O > HETATM 7863 N1 UDP B 2 -19.016 34.905 -33.582 1.00 0.00 N > HETATM 7864 C2 UDP B 2 -19.302 34.601 -34.958 1.00 0.00 C > HETATM 7865 O2 UDP B 2 -18.433 34.721 -35.846 1.00 0.00 O > HETATM 7866 N3 UDP B 2 -20.585 34.163 -35.318 1.00 0.00 N > HETATM 7867 C4 UDP B 2 -21.654 33.989 -34.384 1.00 0.00 C > HETATM 7868 O4 UDP B 2 -22.724 33.610 -34.780 1.00 0.00 O > HETATM 7869 C5 UDP B 2 -21.493 34.264 -32.913 1.00 0.00 C > HETATM 7870 C6 UDP B 2 -20.094 34.742 -32.528 1.00 0.00 C > HETATM 7871 O2' UDP B 2 -17.888 37.977 -33.085 1.00 0.00 O > HETATM 7872 O3' UDP B 2 -15.297 37.034 -32.467 1.00 0.00 O > HETATM 7873 H1' UDP B 2 -17.087 35.507 -34.045 1.00 0.00 H > HETATM 7874 H2' UDP B 2 -18.538 36.440 -31.929 1.00 0.00 H > HETATM 7875 H3' UDP B 2 -16.643 37.264 -31.014 1.00 0.00 H > HETATM 7876 H4' UDP B 2 -15.408 35.143 -31.438 1.00 0.00 H > HETATM 7877 1H5' UDP B 2 -16.657 33.996 -29.652 1.00 0.00 H > HETATM 7878 2H5' UDP B 2 -16.117 35.421 -29.177 1.00 0.00 H > HETATM 7879 H3 UDP B 2 -20.731 33.975 -36.268 1.00 0.00 H > HETATM 7880 H5 UDP B 2 -22.248 34.131 -32.301 1.00 0.00 H > HETATM 7881 H6 UDP B 2 -19.921 34.941 -31.585 1.00 0.00 H > HETATM 7882 HO2' UDP B 2 -18.730 38.042 -33.583 1.00 0.00 H > HETATM 7883 HO3' UDP B 2 -14.534 36.975 -31.854 1.00 0.00 H 7994,8021c7903,7993 < HETATM 7976 C1 Gal X 1 -16.082 32.150 -23.819 1.00 0.00 C < HETATM 7977 C2 Gal X 1 -15.078 32.499 -24.965 1.00 0.00 C < HETATM 7978 C3 Gal X 1 -15.727 32.446 -26.363 1.00 0.00 C < HETATM 7979 C4 Gal X 1 -16.367 31.061 -26.525 1.00 0.00 C < HETATM 7980 O4 Gal X 1 -15.330 30.068 -26.543 1.00 0.00 O < HETATM 7981 C5 Gal X 1 -17.309 30.796 -25.348 1.00 0.00 C < HETATM 7982 O5 Gal X 1 -16.531 30.814 -24.128 1.00 0.00 O < HETATM 7983 O3 Gal X 1 -14.753 32.625 -27.408 1.00 0.00 O < HETATM 7984 C6 Gal X 1 -18.072 29.479 -25.434 1.00 0.00 C < HETATM 7985 O6 Gal X 1 -18.895 29.412 -26.605 1.00 0.00 O < HETATM 7986 N2 Gal X 1 -14.374 33.739 -24.644 1.00 0.00 N < HETATM 7987 CN2 Gal X 1 -13.063 33.775 -24.522 1.00 0.00 C < HETATM 7988 CAN2 Gal X 1 -12.496 35.104 -24.195 1.00 0.00 C < HETATM 7989 OCN2 Gal X 1 -12.338 32.812 -24.677 1.00 0.00 O < HETATM 7990 H1 Gal X 1 -16.886 32.168 -24.571 1.00 0.00 H < HETATM 7991 H2 Gal X 1 -14.356 31.690 -25.077 1.00 0.00 H < HETATM 7992 H3 Gal X 1 -16.473 33.235 -26.448 1.00 0.00 H < HETATM 7993 H4 Gal X 1 -16.929 31.026 -27.458 1.00 0.00 H < HETATM 7994 HO4 Gal X 1 -15.301 29.545 -27.356 1.00 0.00 H < HETATM 7995 H5 Gal X 1 -18.074 31.572 -25.313 1.00 0.00 H < HETATM 7996 HO3 Gal X 1 -14.281 33.469 -27.366 1.00 0.00 H < HETATM 7997 1H6 Gal X 1 -18.718 29.380 -24.549 1.00 0.00 H < HETATM 7998 2H6 Gal X 1 -17.352 28.649 -25.467 1.00 0.00 H < HETATM 7999 HO6 Gal X 1 -18.405 29.487 -27.435 1.00 0.00 H < HETATM 8000 HN2 Gal X 1 -14.874 34.561 -24.514 1.00 0.00 H < HETATM 8001 1HC2 Gal X 1 -12.904 35.450 -23.246 1.00 0.00 H < HETATM 8002 2HC2 Gal X 1 -11.411 35.026 -24.117 1.00 0.00 H < HETATM 8003 3HC2 Gal X 1 -12.753 35.813 -24.981 1.00 0.00 H --- > ATOM 7885 N ASP P 1 -28.357 35.273 -23.931 1.00 0.00 G N > ATOM 7886 CA ASP P 1 -28.061 35.081 -22.537 1.00 0.00 G C > ATOM 7887 C ASP P 1 -26.567 35.228 -22.376 1.00 0.00 G C > ATOM 7888 O ASP P 1 -25.950 35.784 -23.243 1.00 0.00 G O > ATOM 7889 CB ASP P 1 -28.529 33.709 -22.046 1.00 0.00 G C > ATOM 7890 CG ASP P 1 -28.725 33.655 -20.537 1.00 0.00 G C > ATOM 7891 OD1 ASP P 1 -28.386 34.610 -19.879 1.00 0.00 G O > ATOM 7892 OD2 ASP P 1 -29.212 32.659 -20.057 1.00 0.00 G O > ATOM 7893 1H ASP P 1 -29.342 35.183 -24.078 1.00 0.00 G H > ATOM 7894 2H ASP P 1 -28.060 36.186 -24.212 1.00 0.00 G H > ATOM 7895 3H ASP P 1 -27.875 34.584 -24.472 1.00 0.00 G H > ATOM 7896 HA ASP P 1 -28.564 35.862 -21.966 1.00 0.00 G H > ATOM 7897 1HB ASP P 1 -29.472 33.452 -22.529 1.00 0.00 G H > ATOM 7898 2HB ASP P 1 -27.798 32.952 -22.330 1.00 0.00 G H > ATOM 7899 N SER P 2 -26.013 34.716 -21.280 1.00 0.00 G N > ATOM 7900 CA SER P 2 -24.679 35.047 -20.730 1.00 0.00 G C > ATOM 7901 C SER P 2 -23.359 34.587 -21.370 1.00 0.00 G C > ATOM 7902 O SER P 2 -23.170 33.425 -21.740 1.00 0.00 G O > ATOM 7903 CB SER P 2 -24.663 34.549 -19.298 1.00 0.00 G C > ATOM 7904 OG SER P 2 -23.405 34.742 -18.713 1.00 0.00 G O > ATOM 7905 H SER P 2 -26.588 34.038 -20.802 1.00 0.00 G H > ATOM 7906 HA SER P 2 -24.521 36.122 -20.828 1.00 0.00 G H > ATOM 7907 1HB SER P 2 -25.421 35.077 -18.720 1.00 0.00 G H > ATOM 7908 2HB SER P 2 -24.917 33.490 -19.279 1.00 0.00 G H > ATOM 7909 HG SER P 2 -22.761 34.529 -19.392 1.00 0.00 G H > ATOM 7910 N THR P 3 -22.435 35.541 -21.395 1.00 0.00 G N > ATOM 7911 CA THR P 3 -21.081 35.472 -21.933 1.00 0.00 G C > ATOM 7912 C THR P 3 -19.998 34.724 -21.111 1.00 0.00 G C > ATOM 7913 O THR P 3 -20.283 34.233 -20.027 1.00 0.00 G O > ATOM 7914 CB THR P 3 -20.584 36.905 -22.195 1.00 0.00 G C > ATOM 7915 OG1 THR P 3 -20.504 37.620 -20.955 1.00 0.00 G O > ATOM 7916 CG2 THR P 3 -21.531 37.635 -23.136 1.00 0.00 G C > ATOM 7917 H THR P 3 -22.755 36.404 -20.978 1.00 0.00 G H > ATOM 7918 HA THR P 3 -21.108 34.907 -22.866 1.00 0.00 G H > ATOM 7919 HB THR P 3 -19.591 36.870 -22.643 1.00 0.00 G H > ATOM 7920 HG1 THR P 3 -19.712 38.163 -20.949 1.00 0.00 G H > ATOM 7921 1HG2 THR P 3 -21.163 38.646 -23.309 1.00 0.00 G H > ATOM 7922 2HG2 THR P 3 -21.585 37.100 -24.084 1.00 0.00 G H > ATOM 7923 3HG2 THR P 3 -22.523 37.682 -22.689 1.00 0.00 G H > ATOM 7924 N THR P 4 -18.779 34.608 -21.658 1.00 80.21 G N > ATOM 7925 CA THR P 4 -17.560 34.147 -20.920 1.00 82.85 G C > ATOM 7926 C THR P 4 -17.116 35.256 -19.908 1.00 87.01 G C > ATOM 7927 O THR P 4 -16.811 36.367 -20.347 1.00 79.12 G O > ATOM 7928 CB THR P 4 -16.377 33.750 -21.889 1.00 76.19 G C > ATOM 7929 OG1 THR P 4 -16.649 32.469 -22.508 1.00 67.09 G O > ATOM 7930 CG2 THR P 4 -15.026 33.654 -21.137 1.00 69.98 G C > ATOM 7931 H THR P 4 -18.700 34.854 -22.634 1.00 0.00 G H > ATOM 7932 HA THR P 4 -17.821 33.262 -20.339 1.00 0.00 G H > ATOM 7933 HB THR P 4 -16.284 34.499 -22.675 1.00 0.00 G H > ATOM 7934 1HG2 THR P 4 -14.238 33.379 -21.838 1.00 0.00 G H > ATOM 7935 2HG2 THR P 4 -14.791 34.618 -20.686 1.00 0.00 G H > ATOM 7936 3HG2 THR P 4 -15.097 32.897 -20.357 1.00 0.00 G H > ATOM 7937 N PRO P 5 -17.123 34.971 -18.563 1.00 0.00 G N > ATOM 7938 CA PRO P 5 -16.782 36.032 -17.565 1.00 0.00 G C > ATOM 7939 C PRO P 5 -15.303 36.466 -17.487 1.00 0.00 G C > ATOM 7940 O PRO P 5 -14.426 35.791 -18.059 1.00 0.00 G O > ATOM 7941 CB PRO P 5 -17.213 35.375 -16.250 1.00 0.00 G C > ATOM 7942 CG PRO P 5 -17.056 33.914 -16.503 1.00 0.00 G C > ATOM 7943 CD PRO P 5 -17.431 33.742 -17.951 1.00 0.00 G C > ATOM 7944 HA PRO P 5 -17.342 36.948 -17.805 1.00 0.00 G H > ATOM 7945 1HB PRO P 5 -16.582 35.735 -15.424 1.00 0.00 G H > ATOM 7946 2HB PRO P 5 -18.249 35.657 -16.010 1.00 0.00 G H > ATOM 7947 1HG PRO P 5 -16.022 33.601 -16.293 1.00 0.00 G H > ATOM 7948 2HG PRO P 5 -17.705 33.340 -15.826 1.00 0.00 G H > ATOM 7949 1HD PRO P 5 -16.829 32.934 -18.392 1.00 0.00 G H > ATOM 7950 2HD PRO P 5 -18.504 33.513 -18.027 1.00 0.00 G H > ATOM 7951 N ALA P 6 -15.084 37.569 -16.736 1.00 0.00 G N > ATOM 7952 CA ALA P 6 -13.794 38.299 -16.564 1.00 0.00 G C > ATOM 7953 C ALA P 6 -12.832 37.685 -15.543 1.00 0.00 G C > ATOM 7954 O ALA P 6 -13.220 37.545 -14.376 1.00 0.00 G O > ATOM 7955 CB ALA P 6 -14.070 39.744 -16.175 1.00 0.00 G C > ATOM 7956 H ALA P 6 -15.906 37.905 -16.256 1.00 0.00 G H > ATOM 7957 HA ALA P 6 -13.282 38.313 -17.526 1.00 0.00 G H > ATOM 7958 1HB ALA P 6 -13.126 40.279 -16.070 1.00 0.00 G H > ATOM 7959 2HB ALA P 6 -14.673 40.220 -16.949 1.00 0.00 G H > ATOM 7960 3HB ALA P 6 -14.608 39.769 -15.229 1.00 0.00 G H > ATOM 7961 N PRO P 7 -11.578 37.330 -15.969 1.00 0.00 G N > ATOM 7962 CA PRO P 7 -10.485 37.034 -15.024 1.00 0.00 G C > ATOM 7963 C PRO P 7 -10.014 38.317 -14.362 1.00 0.00 G C > ATOM 7964 O PRO P 7 -10.789 39.279 -14.333 1.00 0.00 G O > ATOM 7965 OXT PRO P 7 -8.916 38.377 -13.883 1.00 0.00 G O > ATOM 7966 CB PRO P 7 -9.396 36.423 -15.912 1.00 0.00 G C > ATOM 7967 CG PRO P 7 -9.664 36.992 -17.263 1.00 0.00 G C > ATOM 7968 CD PRO P 7 -11.159 37.159 -17.310 1.00 0.00 G C > ATOM 7969 HA PRO P 7 -10.835 36.297 -14.286 1.00 0.00 G H > ATOM 7970 1HB PRO P 7 -8.401 36.691 -15.526 1.00 0.00 G H > ATOM 7971 2HB PRO P 7 -9.464 35.326 -15.890 1.00 0.00 G H > ATOM 7972 1HG PRO P 7 -9.128 37.945 -17.388 1.00 0.00 G H > ATOM 7973 2HG PRO P 7 -9.289 36.313 -18.043 1.00 0.00 G H > ATOM 7974 1HD PRO P 7 -11.411 38.060 -17.887 1.00 0.00 G H > ATOM 7975 2HD PRO P 7 -11.614 36.267 -17.765 1.00 0.00 G H 8023,8024c7995,8024 < CONECT 7847 7848 7857 7862 7872 < CONECT 7848 7847 7849 7870 7873 --- > HETATM 7977 C1 Gal X 1 -16.082 32.150 -23.819 1.00 0.00 C > HETATM 7978 C2 Gal X 1 -15.078 32.499 -24.965 1.00 0.00 C > HETATM 7979 C3 Gal X 1 -15.727 32.446 -26.363 1.00 0.00 C > HETATM 7980 C4 Gal X 1 -16.367 31.061 -26.525 1.00 0.00 C > HETATM 7981 O4 Gal X 1 -15.330 30.068 -26.543 1.00 0.00 O > HETATM 7982 C5 Gal X 1 -17.309 30.796 -25.348 1.00 0.00 C > HETATM 7983 O5 Gal X 1 -16.531 30.814 -24.128 1.00 0.00 O > HETATM 7984 O3 Gal X 1 -14.753 32.625 -27.408 1.00 0.00 O > HETATM 7985 C6 Gal X 1 -18.072 29.479 -25.434 1.00 0.00 C > HETATM 7986 O6 Gal X 1 -18.895 29.412 -26.605 1.00 0.00 O > HETATM 7987 N2 Gal X 1 -14.374 33.739 -24.644 1.00 0.00 N > HETATM 7988 CN2 Gal X 1 -13.063 33.775 -24.522 1.00 0.00 C > HETATM 7989 CAN2 Gal X 1 -12.496 35.104 -24.195 1.00 0.00 C > HETATM 7990 OCN2 Gal X 1 -12.338 32.812 -24.677 1.00 0.00 O > HETATM 7991 H1 Gal X 1 -16.886 32.168 -24.571 1.00 0.00 H > HETATM 7992 H2 Gal X 1 -14.356 31.690 -25.077 1.00 0.00 H > HETATM 7993 H3 Gal X 1 -16.473 33.235 -26.448 1.00 0.00 H > HETATM 7994 H4 Gal X 1 -16.929 31.026 -27.458 1.00 0.00 H > HETATM 7995 HO4 Gal X 1 -15.301 29.545 -27.356 1.00 0.00 H > HETATM 7996 H5 Gal X 1 -18.074 31.572 -25.313 1.00 0.00 H > HETATM 7997 HO3 Gal X 1 -14.281 33.469 -27.366 1.00 0.00 H > HETATM 7998 1H6 Gal X 1 -18.718 29.380 -24.549 1.00 0.00 H > HETATM 7999 2H6 Gal X 1 -17.352 28.649 -25.467 1.00 0.00 H > HETATM 8000 HO6 Gal X 1 -18.405 29.487 -27.435 1.00 0.00 H > HETATM 8001 HN2 Gal X 1 -14.874 34.561 -24.514 1.00 0.00 H > HETATM 8002 1HC2 Gal X 1 -12.904 35.450 -23.246 1.00 0.00 H > HETATM 8003 2HC2 Gal X 1 -11.411 35.026 -24.117 1.00 0.00 H > HETATM 8004 3HC2 Gal X 1 -12.753 35.813 -24.981 1.00 0.00 H > TER > CONECT 7848 7849 7858 7863 7873 8026,8046c8026,8046 < CONECT 7850 7849 7851 7857 7875 < CONECT 7851 7850 7852 7876 7877 < CONECT 7852 7851 7853 < CONECT 7853 7852 7854 7858 7859 < CONECT 7854 7853 7855 < CONECT 7855 7854 7856 7860 7861 < CONECT 7856 7855 < CONECT 7857 7847 7850 < CONECT 7858 7853 < CONECT 7859 7853 < CONECT 7860 7855 < CONECT 7861 7855 < CONECT 7862 7847 7863 7869 < CONECT 7863 7862 7864 7865 < CONECT 7864 7863 < CONECT 7865 7863 7866 7878 < CONECT 7866 7865 7867 7868 < CONECT 7867 7866 < CONECT 7868 7866 7869 7879 < CONECT 7869 7862 7868 7880 < CONECT 7870 7848 7881 --- > CONECT 7850 7849 7851 7872 7875 > CONECT 7851 7850 7852 7858 7876 > CONECT 7852 7851 7853 7877 7878 > CONECT 7853 7852 7854 > CONECT 7854 7853 7855 7859 7860 > CONECT 7855 7854 7856 > CONECT 7856 7855 7857 7861 7862 > CONECT 7857 7856 > CONECT 7858 7848 7851 > CONECT 7859 7854 > CONECT 7860 7854 > CONECT 7861 7856 > CONECT 7862 7856 > CONECT 7863 7848 7864 7870 > CONECT 7864 7863 7865 7866 > CONECT 7865 7864 > CONECT 7866 7864 7867 7879 > CONECT 7867 7866 7868 7869 > CONECT 7868 7867 > CONECT 7869 7867 7870 7880 > CONECT 7870 7863 7869 7881 8048c8048 < CONECT 7872 7847 --- > CONECT 7872 7850 7883 8053,8055c8053,8055 < CONECT 7877 7851 < CONECT 7878 7865 < CONECT 7879 7868 --- > CONECT 7877 7852 > CONECT 7878 7852 > CONECT 7879 7866 8059,8074c8059,8074 < CONECT 7928 7976 < CONECT 7976 7928 7977 7982 7990 < CONECT 7977 7976 7978 7986 7991 < CONECT 7978 7977 7979 7983 7992 < CONECT 7979 7978 7980 7981 7993 < CONECT 7980 7979 7994 < CONECT 7981 7979 7982 7984 7995 < CONECT 7982 7976 7981 < CONECT 7983 7978 7996 < CONECT 7984 7981 7985 7997 7998 < CONECT 7985 7984 7999 < CONECT 7986 7977 7987 8000 < CONECT 7987 7986 7988 7989 < CONECT 7988 7987 8001 8002 8003 < CONECT 7989 7987 < CONECT 7990 7976 --- > CONECT 7883 7872 > CONECT 7929 7977 > CONECT 7977 7929 7978 7983 7991 > CONECT 7978 7977 7979 7987 7992 > CONECT 7979 7978 7980 7984 7993 > CONECT 7980 7979 7981 7982 7994 > CONECT 7981 7980 7995 > CONECT 7982 7980 7983 7985 7996 > CONECT 7983 7977 7982 > CONECT 7984 7979 7997 > CONECT 7985 7982 7986 7998 7999 > CONECT 7986 7985 8000 > CONECT 7987 7978 7988 8001 > CONECT 7988 7987 7989 7990 > CONECT 7989 7988 8002 8003 8004 > CONECT 7990 7988 8080c8080 < CONECT 7996 7983 --- > CONECT 7996 7982 8082c8082 < CONECT 7998 7984 --- > CONECT 7998 7985 8085,8087c8085,8088 < CONECT 8001 7988 < CONECT 8002 7988 < CONECT 8003 7988 --- > CONECT 8001 7987 > CONECT 8002 7989 > CONECT 8003 7989 > CONECT 8004 7989