Record Format
The ATOM records present the atomic coordinates for standard residues. They also present the occupancy and temperature factor for each atom. Heterogen coordinates use the HETATM record type. The element symbol is always present on each ATOM record; segment identifier and charge are optional.
COLUMNS DATA TYPE FIELD DEFINITION --------------------------------------------------------------------------------- 1 - 6 Record name ATOM 7 - 11 Integer serial Atom serial number. 13 - 16 Atom name Atom name. 17 Character altLoc Alternate location indicator. 18 - 20 Residue name resName Residue name. 22 Character chainID Chain identifier. 23 - 26 Integer resSeq Residue sequence number. 27 AChar iCode Code for insertion of residues. 31 - 38 Real(8.3) x Orthogonal coordinates for X in A. 39 - 46 Real(8.3) y Orthogonal coordinates for Y in A. 47 - 54 Real(8.3) z Orthogonal coordinates for Z in A. 55 - 60 Real(6.2) occupancy Occupancy. 61 - 66 Real(6.2) tempFactor Temperature factor. 73 - 76 LString(4) segID Segment identifier, left-justified. 77 - 78 LString(2) element Element symbol, right-justified. 79 - 80 LString(2) charge Charge on the atom.
1 2 3 4 5 6 7 8 12345678901234567890123456789012345678901234567890123456789012345678901234567890 ATOM--00145 -N-- VAL A--25 --32.433--16.336--57.540--1.00--11.92 A1---N--
1 2 3 4 5 6 7 8 12345678901234567890123456789012345678901234567890123456789012345678901234567890 ATOM 145 N VAL A 25 32.433 16.336 57.540 1.00 11.92 A1 N ATOM 146 CA VAL A 25 31.132 16.439 58.160 1.00 11.85 A1 C ATOM 147 C VAL A 25 30.447 15.105 58.363 1.00 12.34 A1 C ATOM 148 O VAL A 25 29.520 15.059 59.174 1.00 15.65 A1 O ATOM 149 CB AVAL A 25 30.385 17.437 57.230 0.28 13.88 A1 C ATOM 150 CB BVAL A 25 30.166 17.399 57.373 0.72 15.41 A1 C ATOM 151 CG1AVAL A 25 28.870 17.401 57.336 0.28 12.64 A1 C ATOM 152 CG1BVAL A 25 30.805 18.788 57.449 0.72 15.11 A1 C ATOM 153 CG2AVAL A 25 30.835 18.826 57.661 0.28 13.58 A1 C ATOM 154 CG2BVAL A 25 29.909 16.996 55.922 0.72 13.25 A1 C
1 2 3 4 5 6 7 8 12345678901234567890123456789012345678901234567890123456789012345678901234567890 HETATM 1357 MG MG 168 4.669 34.118 19.123 1.00 3.16 MG2+ HETATM 3835 FE HEM 1 17.140 3.115 15.066 1.00 14.14 FE3+