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 1.376 0.000 -0.516 1.00 0.00 C ATOM 3 C ALA S 1 1.899 1.409 -0.712 1.00 0.00 C ATOM 4 O ALA S 1 1.235 2.291 -1.242 1.00 0.00 O ATOM 5 CB ALA S 1 1.389 -0.742 -1.854 1.00 0.00 C ATOM 6 HT1 ALA S 1 -0.325 -0.981 0.122 1.00 0.00 H ATOM 7 HT2 ALA S 1 -0.026 0.490 0.917 1.00 0.00 H ATOM 8 HT3 ALA S 1 -0.623 0.490 -0.673 1.00 0.00 H ATOM 9 N VAL S 2 3.139 1.594 -0.255 1.00 0.00 N ATOM 10 CA VAL S 2 3.723 2.924 -0.403 1.00 0.00 C ATOM 11 C VAL S 2 5.186 2.883 -0.795 1.00 0.00 C ATOM 12 O VAL S 2 5.992 2.131 -0.259 1.00 0.00 O ATOM 13 CB VAL S 2 3.573 3.651 0.935 1.00 0.00 C ATOM 14 CG1 VAL S 2 4.154 5.066 0.900 1.00 0.00 C ATOM 15 CG2 VAL S 2 2.111 3.797 1.361 1.00 0.00 C ATOM 16 H VAL S 2 3.656 0.853 0.173 1.00 0.00 H ATOM 17 N ALA S 3 5.509 3.736 -1.769 1.00 0.00 N ATOM 18 CA ALA S 3 6.901 3.764 -2.210 1.00 0.00 C ATOM 19 C ALA S 3 7.401 5.167 -2.487 1.00 0.00 C ATOM 20 O ALA S 3 7.534 5.522 -3.657 1.00 0.00 O ATOM 21 CB ALA S 3 7.002 2.922 -3.483 1.00 0.00 C ATOM 22 OXT ALA S 3 7.656 5.898 -1.532 1.00 0.00 O1- ATOM 23 H ALA S 3 4.828 4.338 -2.186 1.00 0.00 H END