ATOM 22 N GLN L 3 23.945 -2.849 106.974 1.00 15.00 N
ATOM 23 CA GLN L 3 23.125 -2.052 106.036 1.00 15.00 C
ATOM 24 C GLN L 3 22.898 -0.648 106.616 1.00 15.00 C
ATOM 25 O GLN L 3 22.613 -0.491 107.825 1.00 15.00 O
In every amino acid there are two O
atoms; which one is described by the (in this example) fourth entry? (I guess it's the one that's next to the next amino acid's N
, but then where are the coordinates of the other one or should this be obvious?)
ATOM 26 CB GLN L 3 21.754 -2.682 105.749 1.00 15.00 C
ATOM 27 CG GLN L 3 21.577 -3.299 104.379 1.00 15.00 C
ATOM 28 CD GLN L 3 20.956 -4.676 104.431 1.00 15.00 C
ATOM 29 OE1 GLN L 3 20.940 -5.348 105.476 1.00 15.00 O
ATOM 30 NE2 GLN L 3 20.496 -5.137 103.279 1.00 15.00 N
ATOM 31 H GLN L 3 24.339 -2.372 107.727 1.00 0.00 H
ATOM 32 HE21 GLN L 3 20.637 -4.559 102.496 1.00 0.00 H
ATOM 33 HE22 GLN L 3 20.049 -6.007 103.275 1.00 0.00 H
What's this entry's nr.31 supposed to describe? I thought that an entry without remoteness indicator (and branch designator) might be bound to the previous atom, but in this case the N
's adjacent H
atoms are already dealt with with entries 32 and 33.
Also, this doesn't quite follow the convention(?)* of increasing the branch designator by one each time a new branch emerges—is this usual when H
atoms' positions are given as well?
* like here:
ATOM 1661 CG TRP A 214 24.705 7.905 6.526 1.00 50.03 C
ATOM 1662 CD1 TRP A 214 23.435 7.531 6.857 1.00 49.65 C
ATOM 1663 CD2 TRP A 214 25.087 8.914 7.475 1.00 51.52 C
ATOM 1664 NE1 TRP A 214 22.999 8.246 7.947 1.00 51.68 N
ATOM 1665 CE2 TRP A 214 23.993 9.098 8.350 1.00 52.47 C
ATOM 1666 CE3 TRP A 214 26.251 9.675 7.670 1.00 52.68 C
ATOM 1667 CZ2 TRP A 214 24.019 10.027 9.407 1.00 54.73 C
ATOM 1668 CZ3 TRP A 214 26.279 10.600 8.724 1.00 53.86 C
ATOM 1669 CH2 TRP A 214 25.167 10.761 9.581 1.00 54.84 C