HEADER PROTEIN 17-MAY-18 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 17-MAY-18 0 HETATM 1 H UNK 0 0.531 6.886 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 -0.309 5.596 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 0.942 4.698 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 1.871 6.055 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 2.798 7.389 0.000 0.00 0.00 C+0 HETATM 6 N UNK 0 2.143 8.782 0.000 0.00 0.00 N+0 HETATM 7 O UNK 0 4.333 7.260 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 0.475 3.230 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.753 1.828 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 1.387 1.990 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 2.852 1.729 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 3.536 3.570 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 2.770 5.528 0.000 0.00 0.00 O+0 HETATM 14 N UNK 0 5.034 3.525 0.000 0.00 0.00 N+0 HETATM 15 C UNK 0 5.685 5.151 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 7.216 5.321 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 8.813 4.372 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 7.834 6.731 0.000 0.00 0.00 O+0 HETATM 19 P UNK 0 9.364 6.901 0.000 0.00 0.00 P+0 HETATM 20 O UNK 0 8.183 8.084 0.000 0.00 0.00 O-1 HETATM 21 O UNK 0 8.847 8.491 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 9.982 8.312 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 11.513 8.481 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 12.275 9.820 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 11.766 11.371 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 12.153 12.903 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 13.783 9.508 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 13.953 7.978 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 12.550 7.343 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 11.948 5.887 0.000 0.00 0.00 O+0 HETATM 31 N UNK 0 15.507 7.183 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 16.695 7.850 0.000 0.00 0.00 C+0 HETATM 33 N UNK 0 17.516 6.744 0.000 0.00 0.00 N+1 HETATM 34 C UNK 0 16.970 5.374 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 17.993 6.524 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 17.509 7.986 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 19.044 8.618 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 16.001 8.297 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 15.997 9.974 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 14.977 7.147 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 15.461 5.685 0.000 0.00 0.00 C+0 HETATM 42 Co UNK 0 0.482 5.549 0.000 0.00 0.00 Co-3 HETATM 43 C UNK 0 0.873 3.846 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 2.392 3.688 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 3.152 2.348 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 4.661 2.656 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 4.833 4.187 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 6.601 4.304 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 3.431 4.824 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 4.019 6.402 0.000 0.00 0.00 O+0 HETATM 51 N UNK 0 5.797 1.617 0.000 0.00 0.00 N+0 HETATM 52 C UNK 0 7.306 1.925 0.000 0.00 0.00 C+0 HETATM 53 N UNK 0 8.065 0.586 0.000 0.00 0.00 N+0 HETATM 54 C UNK 0 7.026 -0.551 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 7.175 -2.083 0.000 0.00 0.00 C+0 HETATM 56 N UNK 0 8.576 -2.721 0.000 0.00 0.00 N+0 HETATM 57 N UNK 0 5.922 -2.979 0.000 0.00 0.00 N+0 HETATM 58 C UNK 0 4.520 -2.341 0.000 0.00 0.00 C+0 HETATM 59 N UNK 0 4.371 -0.809 0.000 0.00 0.00 N+0 HETATM 60 C UNK 0 5.624 0.087 0.000 0.00 0.00 C+0 HETATM 61 N UNK 0 -1.549 4.683 0.000 0.00 0.00 N+0 HETATM 62 C UNK 0 -1.065 3.221 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -2.464 1.812 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 -2.489 0.183 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -3.968 1.483 0.000 0.00 0.00 C+0 HETATM 66 N UNK 0 -4.746 2.813 0.000 0.00 0.00 N+1 HETATM 67 C UNK 0 -6.250 2.484 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 -7.505 4.022 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 -7.675 5.552 0.000 0.00 0.00 C+0 HETATM 70 N UNK 0 -6.272 6.187 0.000 0.00 0.00 N+1 HETATM 71 C UNK 0 -6.442 7.718 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 -4.781 8.805 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -4.953 10.340 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -3.241 8.814 0.000 0.00 0.00 C+0 HETATM 75 N UNK 0 -2.757 7.352 0.000 0.00 0.00 N+1 HETATM 76 C UNK 0 -1.217 7.361 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 0.098 8.114 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -0.749 8.828 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 0.631 9.487 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 0.522 10.089 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 1.879 11.201 0.000 0.00 0.00 C+0 HETATM 82 N UNK 0 3.533 11.308 0.000 0.00 0.00 N+0 HETATM 83 O UNK 0 2.291 12.739 0.000 0.00 0.00 O+0 HETATM 84 C UNK 0 -2.000 9.726 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 -2.232 11.361 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 -2.816 12.935 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 -2.906 14.585 0.000 0.00 0.00 C+0 HETATM 88 N UNK 0 -4.001 15.677 0.000 0.00 0.00 N+0 HETATM 89 O UNK 0 -1.490 15.345 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 -7.950 8.029 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 -7.591 9.630 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 -9.258 9.149 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 -10.129 10.602 0.000 0.00 0.00 C+0 HETATM 94 N UNK 0 -9.928 12.211 0.000 0.00 0.00 N+0 HETATM 95 O UNK 0 -11.691 10.852 0.000 0.00 0.00 O+0 HETATM 96 C UNK 0 -8.712 6.691 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 -10.247 6.185 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 -11.438 5.048 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 -13.070 5.011 0.000 0.00 0.00 C+0 HETATM 100 N UNK 0 -13.968 3.731 0.000 0.00 0.00 N+0 HETATM 101 O UNK 0 -14.116 6.256 0.000 0.00 0.00 O+0 HETATM 102 C UNK 0 -6.402 0.951 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 -7.293 -0.395 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 -7.987 1.181 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 -4.992 0.333 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 -4.951 -1.279 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 -5.295 -2.899 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 -4.485 -4.324 0.000 0.00 0.00 C+0 HETATM 109 N UNK 0 -2.933 -4.528 0.000 0.00 0.00 N+0 HETATM 110 O UNK 0 -5.269 -5.740 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 61 76 CONECT 3 2 4 8 CONECT 4 3 5 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 CONECT 8 3 9 10 62 CONECT 9 8 CONECT 10 8 11 CONECT 11 10 12 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 CONECT 15 14 16 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 CONECT 19 18 20 21 22 CONECT 20 19 CONECT 21 19 CONECT 22 19 23 CONECT 23 22 24 29 CONECT 24 23 25 27 CONECT 25 24 26 CONECT 26 25 CONECT 27 24 28 CONECT 28 27 29 31 CONECT 29 28 23 30 CONECT 30 29 CONECT 31 28 32 41 CONECT 32 31 33 CONECT 33 32 34 42 CONECT 34 33 35 41 CONECT 35 34 36 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 39 40 CONECT 39 38 CONECT 40 38 41 CONECT 41 40 31 34 CONECT 42 33 43 61 66 CONECT 42 70 75 CONECT 43 42 44 CONECT 44 43 45 49 CONECT 45 44 46 CONECT 46 45 47 51 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 44 50 CONECT 50 49 CONECT 51 46 52 60 CONECT 52 51 53 CONECT 53 52 54 CONECT 54 53 55 60 CONECT 55 54 56 57 CONECT 56 55 CONECT 57 55 58 CONECT 58 57 59 CONECT 59 58 60 CONECT 60 59 51 54 CONECT 61 42 2 62 CONECT 62 61 8 63 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 105 CONECT 66 65 42 67 CONECT 67 66 68 102 CONECT 68 67 69 CONECT 69 68 70 96 CONECT 70 69 42 71 CONECT 71 70 72 90 CONECT 72 71 73 74 CONECT 73 72 CONECT 74 72 75 84 CONECT 75 74 42 76 CONECT 76 75 2 77 78 CONECT 77 76 CONECT 78 76 79 80 84 CONECT 79 78 CONECT 80 78 81 CONECT 81 80 82 83 CONECT 82 81 CONECT 83 81 CONECT 84 78 74 85 CONECT 85 84 86 CONECT 86 85 87 CONECT 87 86 88 89 CONECT 88 87 CONECT 89 87 CONECT 90 71 91 92 96 CONECT 91 90 CONECT 92 90 93 CONECT 93 92 94 95 CONECT 94 93 CONECT 95 93 CONECT 96 90 69 97 CONECT 97 96 98 CONECT 98 97 99 CONECT 99 98 100 101 CONECT 100 99 CONECT 101 99 CONECT 102 67 103 104 105 CONECT 103 102 CONECT 104 102 CONECT 105 102 65 106 CONECT 106 105 107 CONECT 107 106 108 CONECT 108 107 109 110 CONECT 109 108 CONECT 110 108 MASTER 0 0 0 0 0 0 0 0 110 0 248 0 END