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MODEL 1
ATOM 1 HH31 ACE 1 2.000 1.000 -0.000 0.00 0.00 H
ATOM 2 CH3 ACE 1 2.000 2.090 0.000 0.00 0.00 C
ATOM 3 HH32 ACE 1 1.486 2.454 0.890 0.00 0.00 H
ATOM 4 HH33 ACE 1 1.486 2.454 -0.890 0.00 0.00 H
ATOM 5 C ACE 1 3.427 2.641 -0.000 0.00 0.00 C
ATOM 6 O ACE 1 4.391 1.877 -0.000 0.00 0.00 O
ATOM 7 N TYR 2 3.555 3.970 -0.000 0.00 0.00 N
ATOM 8 H TYR 2 2.733 4.556 -0.000 0.00 0.00 H
ATOM 9 CA TYR 2 4.853 4.614 -0.000 0.00 0.00 C
ATOM 10 HA TYR 2 5.408 4.316 0.890 0.00 0.00 H
ATOM 11 CB TYR 2 5.661 4.221 -1.232 0.00 0.00 C
ATOM 12 HB2 TYR 2 5.809 3.141 -1.241 0.00 0.00 H
ATOM 13 HB3 TYR 2 5.123 4.521 -2.131 0.00 0.00 H
ATOM 14 CG TYR 2 7.004 4.911 -1.195 0.00 0.00 C
ATOM 15 CD1 TYR 2 7.326 5.759 -0.128 10.00100.00 C
ATOM 16 HD1 TYR 2 6.607 5.920 0.676 47.19 15.84 H
ATOM 17 CE1 TYR 2 8.570 6.399 -0.094 54.99 68.83 C
ATOM 18 HE1 TYR 2 8.821 7.059 0.737 0.00 0.00 H
ATOM 19 CZ TYR 2 9.493 6.191 -1.126 0.00 0.00 C
ATOM 20 OH TYR 2 10.702 6.813 -1.092 0.00 0.00 O
ATOM 21 HH TYR 2 10.817 7.369 -0.318 0.00 0.00 H
ATOM 22 CE2 TYR 2 9.171 5.344 -2.193 55.01 41.17 C
ATOM 23 HE2 TYR 2 9.889 5.182 -2.997 0.00 0.00 H
ATOM 24 CD2 TYR 2 7.926 4.704 -2.227100.00 10.00 C
ATOM 25 HD2 TYR 2 7.676 4.044 -3.058 62.81 94.16 H
ATOM 26 C TYR 2 4.713 6.129 0.000 0.00 0.00 C
ATOM 27 O TYR 2 3.601 6.653 0.000 0.00 0.00 O
ATOM 28 N NME 3 5.846 6.835 0.000 0.00 0.00 N
ATOM 29 H NME 3 6.737 6.359 -0.000 0.00 0.00 H
ATOM 30 CH3 NME 3 5.846 8.284 0.000 0.00 0.00 C
ATOM 31 HH31 NME 3 4.819 8.648 0.000 0.00 0.00 H
ATOM 32 HH32 NME 3 6.360 8.648 0.890 0.00 0.00 H
ATOM 33 HH33 NME 3 6.360 8.648 -0.890 0.00 0.00 H
ENDMDL
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