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%40013.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40013.pdb;h=f182550f85e7e66e78b7faa4e5f219a074438a5c;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@013.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@013.pdb new file mode 100644 index 0000000..f182550 --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@013.pdb @@ -0,0 +1,60 @@ +REMARK GM 13 e 253661 m 643 ENERGY -7.33958E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.376 0.436 0.403 0.000 +ATOM 3 CA LEU 2 4.053 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.659 -5.347 1.089 0.000 +ATOM 5 CA TYR 3 5.030 -5.054 -3.448 0.000 +ATOM 6 CB TYR 3 5.342 -3.766 -5.550 0.000 +ATOM 7 CA ILE 4 5.221 -8.675 -2.314 0.000 +ATOM 8 CB ILE 4 6.079 -9.172 -0.840 0.000 +ATOM 9 CA GLN 5 1.512 -9.152 -2.985 0.000 +ATOM 10 CB GLN 5 1.011 -9.020 -0.806 0.000 +ATOM 11 CA TRP 6 1.831 -7.137 -6.191 0.000 +ATOM 12 CB TRP 6 2.532 -5.767 -8.293 0.000 +ATOM 13 CA LEU 7 4.755 -9.294 -7.302 0.000 +ATOM 14 CB LEU 7 6.347 -8.243 -6.957 0.000 +ATOM 15 CA LYS 8 2.359 -12.155 -8.017 0.000 +ATOM 16 CB LYS 8 0.933 -11.300 -6.096 0.000 +ATOM 17 CA ASP 9 -0.126 -9.777 -9.634 0.000 +ATOM 18 CB ASP 9 -0.840 -8.793 -8.433 0.000 +ATOM 19 CA GLY 10 2.255 -9.007 -12.494 0.000 +ATOM 20 CA GLY 11 5.520 -7.427 -11.360 0.000 +ATOM 21 CA PRO 12 6.569 -3.781 -11.152 0.000 +ATOM 22 CB PRO 12 7.533 -4.305 -10.374 0.000 +ATOM 23 CA SER 13 6.650 -3.433 -14.935 0.000 +ATOM 24 CB SER 13 7.785 -3.391 -14.757 0.000 +ATOM 25 CA SER 14 2.944 -4.202 -15.280 0.000 +ATOM 26 CB SER 14 3.134 -4.888 -14.376 0.000 +ATOM 27 CA GLY 15 2.371 -1.765 -18.139 0.000 +ATOM 28 CA ARG 16 2.899 1.358 -16.039 0.000 +ATOM 29 CB ARG 16 3.566 -0.051 -13.453 0.000 +ATOM 30 CA PRO 17 6.061 2.701 -14.414 0.000 +ATOM 31 CB PRO 17 5.547 3.827 -14.940 0.000 +ATOM 32 CA PRO 18 6.910 1.737 -10.838 0.000 +ATOM 33 CB PRO 18 7.446 0.604 -11.327 0.000 +ATOM 34 CA PRO 19 9.433 4.551 -10.441 0.000 +ATOM 35 CB PRO 19 8.904 5.051 -11.572 0.000 +ATOM 36 CA SER 20 7.484 6.197 -7.625 0.000 +ATOM 37 CB SER 20 6.460 6.619 -7.935 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