7d78acac6e
Top up from all conformations, not just first. Fixes https://github.com/jensengroup/propka/issues/147
24 lines
1.7 KiB
Plaintext
24 lines
1.7 KiB
Plaintext
ATOM 1 N GLY 1 2.037 -0.982 0.836 1.00 0.00 N
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ATOM 2 CA GLY 1 3.462 -0.865 0.540 1.00 0.00 C
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ATOM 3 C GLY 1 4.291 -1.573 1.584 1.00 0.00 C
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ATOM 4 O GLY 1 3.777 -2.158 2.541 1.00 0.00 O
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ATOM 5 N ASER 2 5.576 -1.566 1.473 1.00 0.00 N
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ATOM 6 CA ASER 2 6.377 -2.251 2.483 1.00 0.00 C
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ATOM 7 C ASER 2 7.852 -2.130 2.177 1.00 0.00 C
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ATOM 8 O ASER 2 8.265 -1.521 1.190 1.00 0.00 O
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ATOM 9 CB ASER 2 5.943 -3.732 2.620 1.00 0.00 C
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ATOM 10 OG ASER 2 6.285 -4.520 1.474 1.00 0.00 O
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ATOM 11 N BVAL 2 5.577 -1.568 1.470 1.00 0.00 N
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ATOM 12 CA BVAL 2 6.380 -2.234 2.491 1.00 0.00 C
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ATOM 13 C BVAL 2 7.853 -2.130 2.173 1.00 0.00 C
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ATOM 14 O BVAL 2 8.265 -1.521 1.190 1.00 0.00 O
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ATOM 15 CB BVAL 2 5.939 -3.746 2.618 1.00 0.00 C
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ATOM 16 CG1BVAL 2 5.960 -4.584 1.310 1.00 0.00 C
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ATOM 17 CG2BVAL 2 6.774 -4.559 3.636 1.00 0.00 C
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ATOM 18 N GLY 3 8.703 -2.681 2.974 1.00 0.00 N
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ATOM 19 CA GLY 3 10.128 -2.564 2.677 1.00 0.00 C
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ATOM 20 C GLY 3 10.957 -3.272 3.721 1.00 0.00 C
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ATOM 21 O GLY 3 10.444 -3.857 4.678 1.00 0.00 O
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TER
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END
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