48 lines
2.8 KiB
Plaintext
48 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 1999.3232998.770-900.490 0.1414 1.8240
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ATOM 2 CA ALA 1 1999.9993000.064-900.490 0.0962 1.9080
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ATOM 3 C ALA 1 2001.4992999.890-900.490 0.6163 1.9080
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ATOM 4 O ALA 1 2002.0302998.773-900.502 -0.5722 1.6612
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ATOM 5 CB ALA 1 1999.4913000.856-899.273 -0.0597 1.9080
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ATOM 6 H2 ALA 1 1998.7472998.689-901.307 0.1997 0.6000
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ATOM 7 H3 ALA 1 2000.0032998.033-900.491 0.1997 0.6000
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ATOM 8 H ALA 1 1998.7492998.688-899.672 0.1997 0.6000
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ATOM 9 HA ALA 1 1999.7283000.568-901.321 0.0889 1.1000
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ATOM 10 HB1 ALA 1 1998.6293001.298-899.508 0.0300 1.4870
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ATOM 11 HB3 ALA 1 1999.3523000.229-898.511 0.0300 1.4870
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ATOM 12 HB2 ALA 1 2000.1683001.544-899.026 0.0300 1.4870
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ATOM 13 N CYS 2 2002.2503000.938-900.479 -0.4157 1.8240
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ATOM 14 CA CYS 2 2003.7013000.771-900.479 0.0213 1.9080
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ATOM 15 C CYS 2 2004.4003002.111-900.464 0.5973 1.9080
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ATOM 16 O CYS 2 2003.7723003.179-900.453 -0.5679 1.6612
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ATOM 17 CB CYS 2 2004.0952999.915-901.697 -0.1231 1.9080
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ATOM 18 SG CYS 2 2005.8582999.519-901.657 -0.3119 2.0000
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ATOM 19 H CYS 2 2001.7843001.852-900.471 0.2719 0.6000
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ATOM 20 HA CYS 2 2003.9573000.269-899.644 0.1124 1.3870
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ATOM 21 HB3 CYS 2 2003.9103000.435-902.509 0.1112 1.3870
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ATOM 22 HB2 CYS 2 2003.5862999.078-901.661 0.1112 1.3870
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ATOM 23 HG CYS 2 2006.3663000.298-901.289 0.1933 0.6000
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ATOM 24 N ASP 3 2005.6893002.143-900.462 -0.5192 1.8240
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ATOM 25 CA ASP 3 2006.3653003.437-900.448 -0.1817 1.9080
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ATOM 26 C ASP 3 2007.8653003.265-900.448 0.7256 1.9080
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ATOM 27 O ASP 3 2008.3983002.145-900.459 -0.7887 1.6612
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ATOM 28 CB ASP 3 2005.9023004.281-899.227 -0.0677 1.9080
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ATOM 29 CG ASP 3 2006.4923005.697-899.142 0.8851 1.9080
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ATOM 30 OD1 ASP 3 2006.6673006.347-900.193 -0.8162 1.6612
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ATOM 31 OD2 ASP 3 2006.8213006.140-898.022 -0.8162 1.6612
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ATOM 32 OXT ASP 3 2008.7653004.122-900.438 -0.7887 1.6612
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ATOM 33 H ASP 3 2006.1833001.244-900.470 0.3055 0.6000
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ATOM 34 HA ASP 3 2006.1163003.909-901.304 0.1046 1.3870
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ATOM 35 HB3 ASP 3 2006.1593003.780-898.400 -0.0212 1.4870
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ATOM 36 HB2 ASP 3 2004.9053004.355-899.274 -0.0212 1.4870
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TER
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END |