X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40024.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40024.pdb;h=64822ec6fee96c849be3f71b8ff164b252815dc9;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@024.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@024.pdb new file mode 100644 index 0000000..64822ec --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@024.pdb @@ -0,0 +1,61 @@ +REMARK GM 24 e 1727758 m 5270 ENERGY -8.94898E+01 +HELIX 1 H1 LEU 2 GLY 10 1 8 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.423 0.410 0.179 0.000 +ATOM 3 CA LEU 2 4.054 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.293 -5.572 0.115 0.000 +ATOM 5 CA TYR 3 4.913 -3.829 -3.701 0.000 +ATOM 6 CB TYR 3 4.051 -6.114 -4.157 0.000 +ATOM 7 CA ILE 4 8.371 -2.417 -3.004 0.000 +ATOM 8 CB ILE 4 8.748 -0.681 -2.996 0.000 +ATOM 9 CA GLN 5 8.824 -4.896 -0.160 0.000 +ATOM 10 CB GLN 5 7.787 -3.484 1.236 0.000 +ATOM 11 CA TRP 6 7.498 -7.675 -2.387 0.000 +ATOM 12 CB TRP 6 6.205 -9.828 -3.077 0.000 +ATOM 13 CA LEU 7 9.729 -6.537 -5.246 0.000 +ATOM 14 CB LEU 7 8.269 -5.916 -6.361 0.000 +ATOM 15 CA LYS 8 12.691 -6.201 -2.889 0.000 +ATOM 16 CB LYS 8 12.757 -3.689 -2.511 0.000 +ATOM 17 CA ASP 9 11.976 -9.565 -1.274 0.000 +ATOM 18 CB ASP 9 10.633 -8.936 -0.425 0.000 +ATOM 19 CA GLY 10 13.324 -11.352 -4.345 0.000 +ATOM 20 CA GLY 11 10.872 -10.658 -7.164 0.000 +ATOM 21 CA PRO 12 7.939 -12.767 -5.984 0.000 +ATOM 22 CB PRO 12 7.157 -12.232 -6.938 0.000 +ATOM 23 CA SER 13 10.127 -15.069 -3.898 0.000 +ATOM 24 CB SER 13 11.254 -14.845 -3.858 0.000 +ATOM 25 CA SER 14 9.114 -13.445 -0.616 0.000 +ATOM 26 CB SER 14 8.741 -12.366 -0.756 0.000 +ATOM 27 CA GLY 15 6.126 -14.437 1.512 0.000 +ATOM 28 CA ARG 16 3.742 -11.940 -0.076 0.000 +ATOM 29 CB ARG 16 5.546 -9.638 0.676 0.000 +ATOM 30 CA PRO 17 1.397 -12.121 -3.060 0.000 +ATOM 31 CB PRO 17 0.974 -10.985 -2.477 0.000 +ATOM 32 CA PRO 18 2.805 -12.165 -6.589 0.000 +ATOM 33 CB PRO 18 1.995 -13.226 -6.756 0.000 +ATOM 34 CA PRO 19 2.265 -9.216 -8.923 0.000 +ATOM 35 CB PRO 19 3.426 -8.837 -8.359 0.000 +ATOM 36 CA SER 20 1.287 -9.926 -12.526 0.000 +ATOM 37 CB SER 20 0.140 -9.917 -12.442 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL