REMARK GENERATED USING QUANTA FOR NACCESS REMARK AUTHOR SIMON HUBBARD ATOM 1 N ALA S 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA ALA S 1 1.470 0.000 0.000 1.00 0.00 C ATOM 3 C ALA S 1 2.028 1.409 0.000 1.00 0.00 C ATOM 4 O ALA S 1 1.592 2.291 -0.730 1.00 0.00 O ATOM 5 CB ALA S 1 1.951 -0.742 -1.248 1.00 0.00 C ATOM 6 HT1 ALA S 1 -0.347 -0.981 0.000 1.00 0.00 H ATOM 7 HT2 ALA S 1 -0.347 0.490 0.849 1.00 0.00 H ATOM 8 HT3 ALA S 1 -0.347 0.490 -0.849 1.00 0.00 H ATOM 9 N ARG S 2 3.029 1.594 0.863 1.00 0.00 N ATOM 10 CA ARG S 2 3.628 2.924 0.930 1.00 0.00 C ATOM 11 C ARG S 2 5.135 2.883 1.077 1.00 0.00 C ATOM 12 O ARG S 2 5.701 2.131 1.861 1.00 0.00 O ATOM 13 CB ARG S 2 3.015 3.651 2.128 1.00 0.00 C ATOM 14 CG ARG S 2 3.569 5.066 2.301 1.00 0.00 C ATOM 15 CD ARG S 2 2.956 5.793 3.500 1.00 0.00 C ATOM 16 NE ARG S 2 3.507 7.138 3.634 1.00 0.00 N ATOM 17 CZ ARG S 2 3.061 7.891 4.642 1.00 0.00 C ATOM 18 H ARG S 2 3.363 0.853 1.446 1.00 0.00 H ATOM 19 HE ARG S 2 4.194 7.487 2.997 1.00 0.00 H ATOM 20 HH1 ARG S 2 3.197 9.689 5.564 1.00 0.00 H ATOM 21 HH1 ARG S 2 4.218 9.487 4.180 1.00 0.00 H ATOM 22 HH2 ARG S 2 1.814 7.973 6.235 1.00 0.00 H ATOM 23 HH2 ARG S 2 1.795 6.481 5.354 1.00 0.00 H ATOM 31 NH2 ARG S 2 3.531 9.124 4.809 1.00 0.00 1 N ATOM 32 NH1 ARG S 2 2.148 7.409 5.480 1.00 0.00 2 N ATOM 24 N ALA S 3 5.780 3.736 0.278 1.00 0.00 N ATOM 25 CA ALA S 3 7.237 3.764 0.353 1.00 0.00 C ATOM 26 C ALA S 3 7.803 5.167 0.269 1.00 0.00 C ATOM 27 O ALA S 3 8.338 5.522 -0.779 1.00 0.00 O ATOM 28 CB ALA S 3 7.779 2.922 -0.804 1.00 0.00 C ATOM 29 OXT ALA S 3 7.706 5.898 1.254 1.00 0.00 O1- ATOM 30 H ALA S 3 5.288 4.338 -0.352 1.00 0.00 H END