X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40013.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40013.pdb;h=36be823526f1db4275396d6597d22a4f4ec9a3a7;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@013.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@013.pdb new file mode 100644 index 0000000..36be823 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@013.pdb @@ -0,0 +1,60 @@ +REMARK GM 13 e 152141 m 366 ENERGY -7.84594E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.065 1.580 0.518 0.000 +ATOM 3 CA LEU 2 5.253 -3.511 0.000 0.000 +ATOM 4 CB LEU 2 5.437 -5.414 -0.324 0.000 +ATOM 5 CA TYR 3 8.566 -2.380 -1.477 0.000 +ATOM 6 CB TYR 3 8.015 0.005 -1.057 0.000 +ATOM 7 CA ILE 4 11.917 -2.513 0.310 0.000 +ATOM 8 CB ILE 4 12.802 -4.042 0.126 0.000 +ATOM 9 CA GLN 5 11.948 1.218 1.032 0.000 +ATOM 10 CB GLN 5 10.893 3.141 0.580 0.000 +ATOM 11 CA TRP 6 8.456 0.986 2.513 0.000 +ATOM 12 CB TRP 6 7.171 3.098 3.336 0.000 +ATOM 13 CA LEU 7 9.332 -2.279 4.247 0.000 +ATOM 14 CB LEU 7 9.047 -3.893 3.210 0.000 +ATOM 15 CA LYS 8 12.092 -0.527 6.183 0.000 +ATOM 16 CB LYS 8 13.861 -1.402 4.582 0.000 +ATOM 17 CA ASP 9 9.666 2.156 7.347 0.000 +ATOM 18 CB ASP 9 8.551 3.446 7.235 0.000 +ATOM 19 CA GLY 10 8.116 -0.193 9.899 0.000 +ATOM 20 CA GLY 11 6.359 -2.414 7.364 0.000 +ATOM 21 CA PRO 12 4.387 -5.614 6.806 0.000 +ATOM 22 CB PRO 12 4.728 -5.646 5.505 0.000 +ATOM 23 CA SER 13 5.009 -9.267 7.648 0.000 +ATOM 24 CB SER 13 5.099 -9.517 8.767 0.000 +ATOM 25 CA SER 14 1.356 -10.200 7.176 0.000 +ATOM 26 CB SER 14 0.656 -9.319 6.937 0.000 +ATOM 27 CA GLY 15 1.831 -11.425 3.610 0.000 +ATOM 28 CA ARG 16 5.312 -12.195 2.294 0.000 +ATOM 29 CB ARG 16 7.463 -12.628 0.219 0.000 +ATOM 30 CA PRO 17 7.688 -9.256 1.902 0.000 +ATOM 31 CB PRO 17 7.411 -9.128 3.212 0.000 +ATOM 32 CA PRO 18 9.984 -9.334 -1.126 0.000 +ATOM 33 CB PRO 18 9.852 -7.995 -1.152 0.000 +ATOM 34 CA PRO 19 13.671 -10.168 -0.745 0.000 +ATOM 35 CB PRO 19 13.143 -11.405 -0.754 0.000 +ATOM 36 CA SER 20 16.198 -8.253 -2.840 0.000 +ATOM 37 CB SER 20 17.105 -7.890 -2.233 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