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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 1.076 -0.293 0.958 1.00 0.00 C
ATOM 3 C ALA S 1 2.204 0.713 0.853 1.00 0.00 C
ATOM 4 O ALA S 1 2.665 1.078 -0.221 1.00 0.00 O
ATOM 5 CB ALA S 1 1.611 -1.696 0.667 1.00 0.00 C
ATOM 6 HT1 ALA S 1 -0.755 -0.708 0.100 1.00 0.00 H
ATOM 7 HT2 ALA S 1 -0.385 0.947 0.190 1.00 0.00 H
ATOM 8 HT3 ALA S 1 0.379 -0.032 -0.968 1.00 0.00 H
ATOM 9 N TYR S 2 2.643 1.158 2.033 1.00 0.00 N
ATOM 10 CA TYR S 2 3.731 2.131 2.026 1.00 0.00 C
ATOM 11 C TYR S 2 4.748 1.884 3.123 1.00 0.00 C
ATOM 12 O TYR S 2 4.425 1.627 4.276 1.00 0.00 O
ATOM 13 CB TYR S 2 3.114 3.520 2.203 1.00 0.00 C
ATOM 14 CG TYR S 2 4.208 4.561 2.202 1.00 0.00 C
ATOM 15 CD1 TYR S 2 4.610 5.146 1.007 1.00 0.00 C
ATOM 16 CD2 TYR S 2 4.814 4.933 3.396 1.00 0.00 C
ATOM 17 CE1 TYR S 2 5.617 6.104 1.006 1.00 0.00 C
ATOM 18 CE2 TYR S 2 5.822 5.891 3.395 1.00 0.00 C
ATOM 19 CZ TYR S 2 6.223 6.477 2.200 1.00 0.00 C
ATOM 20 OH TYR S 2 7.223 7.428 2.199 1.00 0.00 O
ATOM 21 H TYR S 2 2.246 0.840 2.894 1.00 0.00 H
ATOM 22 HH TYR S 2 7.533 7.569 3.102 1.00 0.00 H
ATOM 23 N ALA S 3 6.016 1.971 2.714 1.00 0.00 N
ATOM 24 CA ALA S 3 7.063 1.746 3.707 1.00 0.00 C
ATOM 25 C ALA S 3 8.232 2.698 3.552 1.00 0.00 C
ATOM 26 O ALA S 3 9.278 2.268 3.067 1.00 0.00 O
ATOM 27 CB ALA S 3 7.550 0.305 3.551 1.00 0.00 C
ATOM 28 OXT ALA S 3 8.092 3.864 3.917 1.00 0.00 O1-
ATOM 29 H ALA S 3 6.247 2.183 1.765 1.00 0.00 H
END
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