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ligandH.pdb
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ligandH.pdb
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HEADER
TITLE MDANALYSIS FRAME 0: Created by PrimitivePDBWriter
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 4384
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 232
REMARK 3 SOLVENT ATOMS : 260
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
CRYST1 0.000 0.000 0.000 0.00 0.00 0.00 P 1 1
HETATM 1 C1 RQ3 A 801 16.150 22.335 42.811 1.00 35.05 A C
HETATM 2 O2 RQ3 A 801 15.316 21.893 41.980 1.00 39.09 A O
HETATM 3 O3 RQ3 A 801 16.998 23.207 42.506 1.00 38.48 A O
HETATM 4 C4 RQ3 A 801 16.141 21.771 44.203 1.00 33.17 A C
HETATM 5 C5 RQ3 A 801 15.116 22.554 45.023 1.00 31.79 A C
HETATM 6 C6 RQ3 A 801 17.531 21.929 44.861 1.00 32.71 A C
HETATM 7 O7 RQ3 A 801 15.717 20.384 44.139 1.00 30.56 A O
HETATM 8 C8 RQ3 A 801 16.523 19.243 43.625 1.00 26.26 A C
HETATM 9 C9 RQ3 A 801 16.246 17.970 44.117 1.00 24.07 A C
HETATM 10 C10 RQ3 A 801 16.952 16.877 43.660 1.00 23.57 A C
HETATM 11 C11 RQ3 A 801 17.940 17.029 42.710 1.00 23.22 A C
HETATM 12 C12 RQ3 A 801 17.525 19.405 42.663 1.00 25.96 A C
HETATM 13 C13 RQ3 A 801 18.235 18.286 42.207 1.00 24.64 A C
HETATM 14 C14 RQ3 A 801 18.645 15.876 42.240 1.00 25.99 A C
HETATM 15 C15 RQ3 A 801 17.855 15.041 41.214 1.00 27.92 A C
HETATM 16 O16 RQ3 A 801 16.745 15.413 40.836 1.00 33.65 A O
HETATM 17 N17 RQ3 A 801 18.286 13.804 41.002 1.00 25.31 A N
HETATM 18 C18 RQ3 A 801 17.731 12.892 40.127 1.00 23.59 A C
HETATM 19 C19 RQ3 A 801 16.337 12.796 39.985 1.00 23.42 A C
HETATM 20 C20 RQ3 A 801 15.787 11.744 39.271 1.00 20.92 A C
HETATM 21 C21 RQ3 A 801 16.621 10.791 38.701 1.00 21.62 A C
HETATM 22 C22 RQ3 A 801 18.549 11.935 39.547 1.00 22.69 A C
HETATM 23 C23 RQ3 A 801 18.004 10.895 38.842 1.00 21.69 A C
HETATM 24 C24 RQ3 A 801 14.303 11.640 39.110 1.00 19.55 A C
HETATM 25 C25 RQ3 A 801 18.909 9.876 38.219 1.00 23.58 A C
HETATM 26 H9 RQ3 A 801 15.474 17.838 44.861 1.00 0.00 A H
HETATM 27 H10 RQ3 A 801 16.729 15.894 44.049 1.00 0.00 A H
HETATM 28 H12 RQ3 A 801 17.750 20.387 42.274 1.00 0.00 A H
HETATM 29 H13 RQ3 A 801 19.011 18.403 41.465 1.00 0.00 A H
HETATM 30 H142 RQ3 A 801 18.875 15.241 43.096 1.00 0.00 A H
HETATM 31 H143 RQ3 A 801 19.580 16.200 41.783 1.00 0.00 A H
HETATM 32 H17 RQ3 A 801 19.093 13.502 41.529 1.00 0.00 A H
HETATM 33 H19 RQ3 A 801 15.695 13.541 40.432 1.00 0.00 A H
HETATM 34 H21 RQ3 A 801 16.197 9.967 38.147 1.00 0.00 A H
HETATM 35 H22 RQ3 A 801 19.621 12.010 39.652 1.00 0.00 A H
HETATM 36 H61 RQ3 A 801 18.272 21.374 44.285 1.00 0.00 A H
HETATM 37 H62 RQ3 A 801 17.497 21.540 45.879 1.00 0.00 A H
HETATM 38 H63 RQ3 A 801 17.804 22.984 44.884 1.00 0.00 A H
HETATM 39 H251 RQ3 A 801 18.311 9.126 37.701 1.00 0.00 A H
HETATM 40 H252 RQ3 A 801 19.502 9.394 38.996 1.00 0.00 A H
HETATM 41 H253 RQ3 A 801 19.573 10.366 37.507 1.00 0.00 A H
HETATM 42 H241 RQ3 A 801 14.062 10.754 38.523 1.00 0.00 A H
HETATM 43 H242 RQ3 A 801 13.836 11.563 40.092 1.00 0.00 A H
HETATM 44 H243 RQ3 A 801 13.930 12.527 38.599 1.00 0.00 A H
HETATM 45 H51 RQ3 A 801 15.089 22.164 46.040 1.00 0.00 A H
HETATM 46 H52 RQ3 A 801 14.131 22.450 44.568 1.00 0.00 A H
HETATM 47 H53 RQ3 A 801 15.396 23.607 45.045 1.00 0.00 A H
CONECT 1 3 2 4
CONECT 10 9 11 27
CONECT 11 13 10 14
CONECT 12 13 8 28
CONECT 13 12 11 29
CONECT 14 15 31 11 30
CONECT 15 16 17 14
CONECT 18 17 19 22
CONECT 19 20 18 33
CONECT 20 21 19 24
CONECT 21 23 20 34
CONECT 22 23 18 35
CONECT 23 21 25 22
CONECT 24 44 20 43 42
CONECT 25 23 40 41 39
CONECT 4 1 6 7 5
CONECT 5 4 46 47 45
CONECT 6 4 38 36 37
CONECT 8 12 9 7
CONECT 9 8 10 26
CONECT 27 10
CONECT 28 12
CONECT 29 13
CONECT 30 14
CONECT 31 14
CONECT 32 17
CONECT 33 19
CONECT 34 21
CONECT 35 22
CONECT 42 24
CONECT 43 24
CONECT 44 24
CONECT 39 25
CONECT 40 25
CONECT 41 25
CONECT 45 5
CONECT 46 5
CONECT 47 5
CONECT 36 6
CONECT 37 6
CONECT 38 6
CONECT 26 9
CONECT 17 15 18 32
CONECT 16 15
CONECT 2 1
CONECT 3 1
CONECT 7 8 4
END