HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -11.747 3.735 2.732 0.00 0.00 C+0 HETATM 2 C UNK 0 -10.856 4.510 3.640 0.00 0.00 C+0 HETATM 3 C UNK 0 -9.776 3.726 4.272 0.00 0.00 C+0 HETATM 4 C UNK 0 -8.747 3.168 3.373 0.00 0.00 C+0 HETATM 5 C UNK 0 -9.202 2.232 2.320 0.00 0.00 C+0 HETATM 6 C UNK 0 -7.862 1.774 1.605 0.00 0.00 C+0 HETATM 7 C UNK 0 -8.238 0.837 0.541 0.00 0.00 C+0 HETATM 8 C UNK 0 -7.202 0.337 -0.365 0.00 0.00 C+0 HETATM 9 C UNK 0 -6.043 -0.360 0.253 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.094 0.442 1.049 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.028 -0.409 1.688 0.00 0.00 C+0 HETATM 12 C UNK 0 -3.249 -1.158 0.672 0.00 0.00 C+0 HETATM 13 N UNK 0 -2.010 -0.873 0.326 0.00 0.00 N+0 HETATM 14 C UNK 0 -1.557 -1.777 -0.672 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.371 -1.820 -1.247 0.00 0.00 C+0 HETATM 16 C UNK 0 0.658 -0.828 -0.837 0.00 0.00 C+0 HETATM 17 C UNK 0 0.889 -0.370 0.439 0.00 0.00 C+0 HETATM 18 C UNK 0 1.937 0.550 0.353 0.00 0.00 C+0 HETATM 19 C UNK 0 2.324 0.638 -0.949 0.00 0.00 C+0 HETATM 20 C UNK 0 3.391 1.427 -1.613 0.00 0.00 C+0 HETATM 21 C UNK 0 4.334 2.087 -0.689 0.00 0.00 C+0 HETATM 22 C UNK 0 5.110 1.089 0.096 0.00 0.00 C+0 HETATM 23 C UNK 0 6.082 1.743 1.059 0.00 0.00 C+0 HETATM 24 C UNK 0 7.079 2.611 0.355 0.00 0.00 C+0 HETATM 25 C UNK 0 7.916 1.875 -0.638 0.00 0.00 C+0 HETATM 26 C UNK 0 8.734 0.761 -0.040 0.00 0.00 C+0 HETATM 27 C UNK 0 9.696 1.269 1.012 0.00 0.00 C+0 HETATM 28 C UNK 0 10.496 0.117 1.578 0.00 0.00 C+0 HETATM 29 C UNK 0 11.441 0.710 2.627 0.00 0.00 C+0 HETATM 30 C UNK 0 10.582 1.367 3.676 0.00 0.00 C+0 HETATM 31 N UNK 0 1.521 -0.219 -1.651 0.00 0.00 N+0 HETATM 32 C UNK 0 -0.002 -2.748 -2.293 0.00 0.00 C+0 HETATM 33 N UNK 0 1.117 -3.498 -2.330 0.00 0.00 N+0 HETATM 34 C UNK 0 1.195 -4.235 -3.447 0.00 0.00 C+0 HETATM 35 C UNK 0 2.267 -5.165 -3.827 0.00 0.00 C+0 HETATM 36 C UNK 0 3.384 -5.422 -3.064 0.00 0.00 C+0 HETATM 37 C UNK 0 4.186 -6.351 -3.728 0.00 0.00 C+0 HETATM 38 C UNK 0 3.513 -6.636 -4.903 0.00 0.00 C+0 HETATM 39 N UNK 0 2.378 -5.911 -4.923 0.00 0.00 N+0 HETATM 40 C UNK 0 0.071 -3.966 -4.201 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.666 -3.034 -3.464 0.00 0.00 C+0 HETATM 42 O UNK 0 -1.876 -2.519 -3.914 0.00 0.00 O+0 HETATM 43 C UNK 0 -2.446 -2.894 -5.130 0.00 0.00 C+0 HETATM 44 C UNK 0 -2.681 -2.664 -0.901 0.00 0.00 C+0 HETATM 45 C UNK 0 -3.675 -2.298 -0.109 0.00 0.00 C+0 HETATM 46 H UNK 0 -12.807 4.070 2.989 0.00 0.00 H+0 HETATM 47 H UNK 0 -11.681 2.642 2.857 0.00 0.00 H+0 HETATM 48 H UNK 0 -11.671 3.986 1.660 0.00 0.00 H+0 HETATM 49 H UNK 0 -11.445 5.054 4.440 0.00 0.00 H+0 HETATM 50 H UNK 0 -10.433 5.357 3.026 0.00 0.00 H+0 HETATM 51 H UNK 0 -10.232 2.852 4.843 0.00 0.00 H+0 HETATM 52 H UNK 0 -9.218 4.351 5.051 0.00 0.00 H+0 HETATM 53 H UNK 0 -7.982 2.658 4.059 0.00 0.00 H+0 HETATM 54 H UNK 0 -8.116 4.008 2.934 0.00 0.00 H+0 HETATM 55 H UNK 0 -9.830 2.652 1.525 0.00 0.00 H+0 HETATM 56 H UNK 0 -9.643 1.294 2.668 0.00 0.00 H+0 HETATM 57 H UNK 0 -7.348 2.673 1.335 0.00 0.00 H+0 HETATM 58 H UNK 0 -7.421 1.175 2.456 0.00 0.00 H+0 HETATM 59 H UNK 0 -8.664 -0.093 1.072 0.00 0.00 H+0 HETATM 60 H UNK 0 -9.155 1.217 -0.037 0.00 0.00 H+0 HETATM 61 H UNK 0 -6.756 1.161 -1.010 0.00 0.00 H+0 HETATM 62 H UNK 0 -7.708 -0.341 -1.128 0.00 0.00 H+0 HETATM 63 H UNK 0 -6.340 -1.318 0.749 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.441 -0.738 -0.653 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.465 1.214 1.713 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.489 1.052 0.245 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.480 -1.152 2.383 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.326 0.256 2.234 0.00 0.00 H+0 HETATM 69 H UNK 0 0.381 -0.646 1.339 0.00 0.00 H+0 HETATM 70 H UNK 0 2.360 1.115 1.188 0.00 0.00 H+0 HETATM 71 H UNK 0 3.925 0.690 -2.281 0.00 0.00 H+0 HETATM 72 H UNK 0 2.946 2.155 -2.352 0.00 0.00 H+0 HETATM 73 H UNK 0 3.878 2.880 -0.060 0.00 0.00 H+0 HETATM 74 H UNK 0 5.079 2.644 -1.331 0.00 0.00 H+0 HETATM 75 H UNK 0 4.469 0.415 0.661 0.00 0.00 H+0 HETATM 76 H UNK 0 5.685 0.471 -0.639 0.00 0.00 H+0 HETATM 77 H UNK 0 5.475 2.350 1.752 0.00 0.00 H+0 HETATM 78 H UNK 0 6.610 0.961 1.602 0.00 0.00 H+0 HETATM 79 H UNK 0 7.718 3.084 1.126 0.00 0.00 H+0 HETATM 80 H UNK 0 6.599 3.461 -0.189 0.00 0.00 H+0 HETATM 81 H UNK 0 7.295 1.422 -1.443 0.00 0.00 H+0 HETATM 82 H UNK 0 8.631 2.540 -1.171 0.00 0.00 H+0 HETATM 83 H UNK 0 8.043 0.047 0.437 0.00 0.00 H+0 HETATM 84 H UNK 0 9.336 0.270 -0.814 0.00 0.00 H+0 HETATM 85 H UNK 0 10.394 2.022 0.648 0.00 0.00 H+0 HETATM 86 H UNK 0 9.059 1.645 1.859 0.00 0.00 H+0 HETATM 87 H UNK 0 11.100 -0.355 0.777 0.00 0.00 H+0 HETATM 88 H UNK 0 9.839 -0.570 2.112 0.00 0.00 H+0 HETATM 89 H UNK 0 12.062 -0.080 3.099 0.00 0.00 H+0 HETATM 90 H UNK 0 12.097 1.485 2.158 0.00 0.00 H+0 HETATM 91 H UNK 0 9.725 0.725 3.894 0.00 0.00 H+0 HETATM 92 H UNK 0 10.302 2.382 3.297 0.00 0.00 H+0 HETATM 93 H UNK 0 11.236 1.561 4.557 0.00 0.00 H+0 HETATM 94 H UNK 0 1.575 -0.379 -2.701 0.00 0.00 H+0 HETATM 95 H UNK 0 1.829 -3.498 -1.577 0.00 0.00 H+0 HETATM 96 H UNK 0 3.618 -4.984 -2.104 0.00 0.00 H+0 HETATM 97 H UNK 0 5.130 -6.771 -3.412 0.00 0.00 H+0 HETATM 98 H UNK 0 3.890 -7.339 -5.648 0.00 0.00 H+0 HETATM 99 H UNK 0 1.685 -5.930 -5.685 0.00 0.00 H+0 HETATM 100 H UNK 0 -0.185 -4.392 -5.164 0.00 0.00 H+0 HETATM 101 H UNK 0 -2.216 -3.947 -5.411 0.00 0.00 H+0 HETATM 102 H UNK 0 -3.544 -2.784 -5.087 0.00 0.00 H+0 HETATM 103 H UNK 0 -2.002 -2.245 -5.935 0.00 0.00 H+0 HETATM 104 H UNK 0 -2.719 -3.502 -1.593 0.00 0.00 H+0 HETATM 105 H UNK 0 -4.628 -2.785 -0.052 0.00 0.00 H+0 CONECT 1 2 46 47 48 CONECT 2 1 3 49 50 CONECT 3 2 4 51 52 CONECT 4 3 5 53 54 CONECT 5 4 6 55 56 CONECT 6 5 7 57 58 CONECT 7 6 8 59 60 CONECT 8 7 9 61 62 CONECT 9 8 10 63 64 CONECT 10 9 11 65 66 CONECT 11 10 12 67 68 CONECT 12 11 13 45 CONECT 13 12 14 CONECT 14 13 15 44 CONECT 15 14 16 32 CONECT 16 15 17 31 CONECT 17 16 18 69 CONECT 18 17 19 70 CONECT 19 18 20 31 CONECT 20 19 21 71 72 CONECT 21 20 22 73 74 CONECT 22 21 23 75 76 CONECT 23 22 24 77 78 CONECT 24 23 25 79 80 CONECT 25 24 26 81 82 CONECT 26 25 27 83 84 CONECT 27 26 28 85 86 CONECT 28 27 29 87 88 CONECT 29 28 30 89 90 CONECT 30 29 91 92 93 CONECT 31 19 16 94 CONECT 32 15 33 41 CONECT 33 32 34 95 CONECT 34 33 35 40 CONECT 35 34 36 39 CONECT 36 35 37 96 CONECT 37 36 38 97 CONECT 38 37 39 98 CONECT 39 38 35 99 CONECT 40 34 41 100 CONECT 41 40 42 32 CONECT 42 41 43 CONECT 43 42 101 102 103 CONECT 44 14 45 104 CONECT 45 44 12 105 CONECT 46 1 CONECT 47 1 CONECT 48 1 CONECT 49 2 CONECT 50 2 CONECT 51 3 CONECT 52 3 CONECT 53 4 CONECT 54 4 CONECT 55 5 CONECT 56 5 CONECT 57 6 CONECT 58 6 CONECT 59 7 CONECT 60 7 CONECT 61 8 CONECT 62 8 CONECT 63 9 CONECT 64 9 CONECT 65 10 CONECT 66 10 CONECT 67 11 CONECT 68 11 CONECT 69 17 CONECT 70 18 CONECT 71 20 CONECT 72 20 CONECT 73 21 CONECT 74 21 CONECT 75 22 CONECT 76 22 CONECT 77 23 CONECT 78 23 CONECT 79 24 CONECT 80 24 CONECT 81 25 CONECT 82 25 CONECT 83 26 CONECT 84 26 CONECT 85 27 CONECT 86 27 CONECT 87 28 CONECT 88 28 CONECT 89 29 CONECT 90 29 CONECT 91 30 CONECT 92 30 CONECT 93 30 CONECT 94 31 CONECT 95 33 CONECT 96 36 CONECT 97 37 CONECT 98 38 CONECT 99 39 CONECT 100 40 CONECT 101 43 CONECT 102 43 CONECT 103 43 CONECT 104 44 CONECT 105 45 MASTER 0 0 0 0 0 0 0 0 105 0 216 0 END