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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 0.720 -1.171 0.521 1.00 0.00 C
ATOM 3 C ALA S 1 2.206 -0.900 0.649 1.00 0.00 C
ATOM 4 O ALA S 1 2.854 -0.346 -0.230 1.00 0.00 O
ATOM 5 CB ALA S 1 0.493 -2.341 -0.438 1.00 0.00 C
ATOM 6 HT1 ALA S 1 -1.013 -0.221 -0.074 1.00 0.00 H
ATOM 7 HT2 ALA S 1 0.133 0.804 0.646 1.00 0.00 H
ATOM 8 HT3 ALA S 1 0.371 0.246 -0.940 1.00 0.00 H
ATOM 9 N TRP S 2 2.734 -1.320 1.801 1.00 0.00 N
ATOM 10 CA TRP S 2 4.163 -1.100 2.009 1.00 0.00 C
ATOM 11 C TRP S 2 4.845 -2.273 2.682 1.00 0.00 C
ATOM 12 O TRP S 2 4.366 -2.847 3.652 1.00 0.00 O
ATOM 13 CB TRP S 2 4.319 0.152 2.876 1.00 0.00 C
ATOM 14 CG TRP S 2 3.857 1.362 2.100 1.00 0.00 C
ATOM 15 CD1 TRP S 2 2.565 1.565 1.572 1.00 0.00 C
ATOM 16 CD2 TRP S 2 4.622 2.498 1.764 1.00 0.00 C
ATOM 17 CE2 TRP S 2 3.777 3.365 1.041 1.00 0.00 C
ATOM 18 CE3 TRP S 2 5.941 2.858 2.011 1.00 0.00 C
ATOM 19 NE1 TRP S 2 2.460 2.755 0.924 1.00 0.00 N
ATOM 20 CZ2 TRP S 2 4.264 4.580 0.574 1.00 0.00 C
ATOM 21 CZ3 TRP S 2 6.428 4.074 1.543 1.00 0.00 C
ATOM 22 CH2 TRP S 2 5.584 4.940 0.820 1.00 0.00 C
ATOM 23 H TRP S 2 2.178 -1.770 2.499 1.00 0.00 H
ATOM 24 HE1 TRP S 2 1.666 3.116 0.478 1.00 0.00 H
ATOM 25 N ALA S 3 6.008 -2.616 2.122 1.00 0.00 N
ATOM 26 CA ALA S 3 6.735 -3.738 2.708 1.00 0.00 C
ATOM 27 C ALA S 3 8.231 -3.504 2.761 1.00 0.00 C
ATOM 28 O ALA S 3 8.947 -4.095 1.954 1.00 0.00 O
ATOM 29 CB ALA S 3 6.439 -4.977 1.861 1.00 0.00 C
ATOM 30 OXT ALA S 3 8.675 -2.732 3.610 1.00 0.00 O1-
ATOM 31 H ALA S 3 6.373 -2.126 1.331 1.00 0.00 H
END
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