49 lines
2.8 KiB
Plaintext
49 lines
2.8 KiB
Plaintext
REMARK 1 PQR file generated by PDB2PQR (Version @PDB2PQR_VERSION@)
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REMARK 1
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REMARK 1 Command line used to generate this file:
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REMARK 1 --ff=AMBER 1000.pdb 1000.pqr
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REMARK 1
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REMARK 1 Forcefield Used: AMBER
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REMARK 1
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REMARK 5
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REMARK 6 Total charge on this protein: -1.0000 e
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REMARK 6
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ATOM 1 N ALA 1 1999.323 2998.770 -900.490 0.1414 1.8240
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ATOM 2 CA ALA 1 1999.999 3000.064 -900.490 0.0962 1.9080
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ATOM 3 C ALA 1 2001.499 2999.890 -900.490 0.6163 1.9080
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ATOM 4 O ALA 1 2002.030 2998.773 -900.502 -0.5722 1.6612
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ATOM 5 CB ALA 1 1999.491 3000.856 -899.273 -0.0597 1.9080
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ATOM 6 H2 ALA 1 1998.747 2998.689 -901.307 0.1997 0.6000
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ATOM 7 H3 ALA 1 2000.003 2998.033 -900.491 0.1997 0.6000
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ATOM 8 H ALA 1 1998.749 2998.688 -899.672 0.1997 0.6000
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ATOM 9 HA ALA 1 1999.728 3000.568 -901.321 0.0889 1.1000
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ATOM 10 HB1 ALA 1 1998.629 3001.298 -899.508 0.0300 1.4870
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ATOM 11 HB3 ALA 1 1999.352 3000.229 -898.511 0.0300 1.4870
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ATOM 12 HB2 ALA 1 2000.168 3001.544 -899.026 0.0300 1.4870
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ATOM 13 N CYS 2 2002.250 3000.938 -900.479 -0.4157 1.8240
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ATOM 14 CA CYS 2 2003.701 3000.771 -900.479 0.0213 1.9080
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ATOM 15 C CYS 2 2004.400 3002.111 -900.464 0.5973 1.9080
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ATOM 16 O CYS 2 2003.772 3003.179 -900.453 -0.5679 1.6612
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ATOM 17 CB CYS 2 2004.095 2999.915 -901.697 -0.1231 1.9080
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ATOM 18 SG CYS 2 2005.858 2999.519 -901.657 -0.3119 2.0000
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ATOM 19 H CYS 2 2001.784 3001.852 -900.471 0.2719 0.6000
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ATOM 20 HA CYS 2 2003.957 3000.269 -899.644 0.1124 1.3870
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ATOM 21 HB3 CYS 2 2003.910 3000.435 -902.509 0.1112 1.3870
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ATOM 22 HB2 CYS 2 2003.586 2999.078 -901.661 0.1112 1.3870
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ATOM 23 HG CYS 2 2006.366 3000.298 -901.289 0.1933 0.6000
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ATOM 24 N ASP 3 2005.689 3002.143 -900.462 -0.5192 1.8240
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ATOM 25 CA ASP 3 2006.365 3003.437 -900.448 -0.1817 1.9080
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ATOM 26 C ASP 3 2007.865 3003.265 -900.448 0.7256 1.9080
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ATOM 27 O ASP 3 2008.398 3002.145 -900.459 -0.7887 1.6612
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ATOM 28 CB ASP 3 2005.902 3004.281 -899.227 -0.0677 1.9080
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ATOM 29 CG ASP 3 2006.492 3005.697 -899.142 0.8851 1.9080
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ATOM 30 OD1 ASP 3 2006.667 3006.347 -900.193 -0.8162 1.6612
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ATOM 31 OD2 ASP 3 2006.821 3006.140 -898.022 -0.8162 1.6612
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ATOM 32 OXT ASP 3 2008.765 3004.122 -900.438 -0.7887 1.6612
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ATOM 33 H ASP 3 2006.183 3001.244 -900.470 0.3055 0.6000
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ATOM 34 HA ASP 3 2006.116 3003.909 -901.304 0.1046 1.3870
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ATOM 35 HB3 ASP 3 2006.159 3003.780 -898.400 -0.0212 1.4870
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ATOM 36 HB2 ASP 3 2004.905 3004.355 -899.274 -0.0212 1.4870
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TER
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END
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