Restraint04.pdb
From Rizzo_Lab
# All atoms except H have a restraint of 5 kcal/mol. Restraint is in column 11. CRYST1 0.000 0.000 0.000 90.00 90.00 90.00 P 1 1 ATOM 14263 N ALA A 1 -5.572 -16.363 2.487 1.00 5.00 A N ATOM 14264 HT1 ALA A 1 -4.660 -16.576 2.837 1.00 0.00 A H ATOM 14265 HT2 ALA A 1 -6.262 -16.872 3.002 1.00 0.00 A H ATOM 14266 HT3 ALA A 1 -5.745 -15.381 2.563 1.00 0.00 A H ATOM 14267 CA ALA A 1 -5.646 -16.758 1.059 1.00 5.00 A C ATOM 14268 HA ALA A 1 -4.898 -16.193 0.515 1.00 0.00 A H ATOM 14269 CB ALA A 1 -5.157 -18.182 0.864 1.00 5.00 A C ATOM 14270 HB1 ALA A 1 -4.167 -18.306 1.352 1.00 0.00 A H ATOM 14271 HB2 ALA A 1 -5.859 -18.912 1.324 1.00 0.00 A H ATOM 14272 HB3 ALA A 1 -5.043 -18.432 -0.213 1.00 0.00 A H ATOM 14273 C ALA A 1 -6.971 -16.506 0.354 1.00 5.00 A C ATOM 14274 O ALA A 1 -6.978 -16.443 -0.885 1.00 5.00 A O ATOM 14275 N VAL A 2 -8.064 -16.367 1.102 1.00 5.00 A N ATOM 14276 HN VAL A 2 -8.107 -16.473 2.092 1.00 0.00 A H ATOM 14277 CA VAL A 2 -9.340 -16.031 0.475 1.00 5.00 A C ATOM 14278 HA VAL A 2 -9.562 -16.702 -0.345 1.00 0.00 A H ATOM 14279 CB VAL A 2 -10.483 -15.924 1.512 1.00 5.00 A C ATOM 14280 HB VAL A 2 -11.102 -15.033 1.241 1.00 0.00 A H ATOM 14281 CG1 VAL A 2 -11.367 -17.179 1.480 1.00 5.00 A C ATOM 14282 HG11 VAL A 2 -12.161 -17.111 2.254 1.00 0.00 A H ATOM 14283 HG12 VAL A 2 -11.871 -17.300 0.499 1.00 0.00 A H ATOM 14284 HG13 VAL A 2 -10.764 -18.089 1.685 1.00 0.00 A H ATOM 14285 CG2 VAL A 2 -9.928 -15.784 2.939 1.00 5.00 A C ATOM 14286 HG21 VAL A 2 -10.755 -15.748 3.680 1.00 0.00 A H ATOM 14287 HG22 VAL A 2 -9.271 -16.645 3.189 1.00 0.00 A H ATOM 14288 HG23 VAL A 2 -9.337 -14.851 3.051 1.00 0.00 A H ATOM 14289 C VAL A 2 -9.060 -14.657 -0.121 1.00 5.00 A C ATOM 14290 O VAL A 2 -9.430 -14.352 -1.264 1.00 5.00 A O ATOM 14291 N GLY A 3 -8.395 -13.829 0.678 1.00 5.00 A N ATOM 14292 HN GLY A 3 -8.134 -14.110 1.601 1.00 0.00 A H ATOM 14293 CA GLY A 3 -7.998 -12.478 0.294 1.00 5.00 A C ATOM 14294 HA1 GLY A 3 -7.339 -12.088 1.058 1.00 0.00 A H ATOM 14295 HA2 GLY A 3 -8.892 -11.889 0.136 1.00 0.00 A H ATOM 14296 C GLY A 3 -7.217 -12.521 -1.032 1.00 5.00 A C ATOM 14297 O GLY A 3 -7.611 -11.873 -2.013 1.00 5.00 A O ATOM 14298 N ILE A 4 -6.120 -13.284 -1.046 1.00 5.00 A N ATOM 14299 HN ILE A 4 -5.825 -13.800 -0.244 1.00 0.00 A H ATOM 14300 CA ILE A 4 -5.244 -13.443 -2.223 1.00 5.00 A C ATOM 14301 HA ILE A 4 -4.925 -12.439 -2.474 1.00 0.00 A H ATOM 14302 CB ILE A 4 -4.040 -14.353 -1.889 1.00 5.00 A C ATOM 14303 HB ILE A 4 -4.433 -15.067 -1.121 1.00 0.00 A H ATOM 14304 CG2 ILE A 4 -3.521 -15.006 -3.186 1.00 5.00 A C ATOM 14305 HG21 ILE A 4 -2.761 -15.781 -2.956 1.00 0.00 A H ATOM 14306 HG22 ILE A 4 -4.348 -15.499 -3.739 1.00 0.00 A H ATOM 14307 HG23 ILE A 4 -3.055 -14.250 -3.853 1.00 0.00 A H ATOM 14308 CG1 ILE A 4 -2.903 -13.554 -1.205 1.00 5.00 A C ATOM 14309 HG11 ILE A 4 -2.709 -13.968 -0.190 1.00 0.00 A H ATOM 14310 HG12 ILE A 4 -1.967 -13.680 -1.796 1.00 0.00 A H ATOM 14311 CD ILE A 4 -3.173 -12.051 -1.075 1.00 5.00 A C ATOM 14312 HD1 ILE A 4 -2.293 -11.538 -0.630 1.00 0.00 A H ATOM 14313 HD2 ILE A 4 -3.371 -11.601 -2.072 1.00 0.00 A H ATOM 14314 HD3 ILE A 4 -4.050 -11.859 -0.421 1.00 0.00 A H ATOM 14315 C ILE A 4 -5.955 -14.005 -3.462 1.00 5.00 A C ATOM 14316 O ILE A 4 -5.715 -13.536 -4.585 1.00 5.00 A O ATOM 14317 N GLY A 5 -6.817 -14.996 -3.250 1.00 5.00 A N END
