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 N HIS S 2 3.029 1.594 0.863 1.00 0.00 N ATOM 7 CA HIS S 2 3.628 2.924 0.930 1.00 0.00 C ATOM 8 C HIS S 2 5.135 2.883 1.077 1.00 0.00 C ATOM 9 O HIS S 2 5.701 2.131 1.861 1.00 0.00 O ATOM 10 CB HIS S 2 3.015 3.651 2.128 1.00 0.00 C ATOM 11 CG HIS S 2 3.607 5.035 2.235 1.00 0.00 C ATOM 12 CD2 HIS S 2 3.104 6.202 1.623 1.00 0.00 C ATOM 13 ND1 HIS S 2 4.729 5.285 2.963 1.00 0.00 N ATOM 14 CE1 HIS S 2 4.969 6.617 2.835 1.00 0.00 C ATOM 15 NE2 HIS S 2 3.861 7.294 1.909 1.00 0.00 N ATOM 16 N ALA S 3 5.780 3.736 0.278 1.00 0.00 N ATOM 17 CA ALA S 3 7.237 3.764 0.353 1.00 0.00 C ATOM 18 C ALA S 3 7.803 5.167 0.269 1.00 0.00 C ATOM 19 O ALA S 3 8.338 5.522 -0.779 1.00 0.00 O ATOM 20 CB ALA S 3 7.779 2.922 -0.804 1.00 0.00 C ATOM 21 OXT ALA S 3 7.706 5.898 1.254 1.00 0.00 O1- END