HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 12.116 2.972 -1.990 0.00 0.00 C+0 HETATM 2 C UNK 0 11.766 1.527 -2.095 0.00 0.00 C+0 HETATM 3 C UNK 0 11.990 0.683 -0.888 0.00 0.00 C+0 HETATM 4 C UNK 0 11.225 1.121 0.337 0.00 0.00 C+0 HETATM 5 C UNK 0 9.747 1.209 0.075 0.00 0.00 C+0 HETATM 6 C UNK 0 9.135 -0.077 -0.452 0.00 0.00 C+0 HETATM 7 C UNK 0 7.659 0.115 -0.718 0.00 0.00 C+0 HETATM 8 C UNK 0 6.930 0.339 0.583 0.00 0.00 C+0 HETATM 9 O UNK 0 7.381 -0.169 1.632 0.00 0.00 O+0 HETATM 10 N UNK 0 5.763 1.109 0.574 0.00 0.00 N+0 HETATM 11 C UNK 0 4.881 1.410 1.678 0.00 0.00 C+0 HETATM 12 C UNK 0 5.263 2.843 2.135 0.00 0.00 C+0 HETATM 13 C UNK 0 6.660 2.886 2.597 0.00 0.00 C+0 HETATM 14 C UNK 0 6.960 2.060 3.794 0.00 0.00 C+0 HETATM 15 O UNK 0 6.052 1.434 4.376 0.00 0.00 O+0 HETATM 16 O UNK 0 8.241 1.950 4.314 0.00 0.00 O+0 HETATM 17 C UNK 0 3.465 1.515 1.183 0.00 0.00 C+0 HETATM 18 O UNK 0 3.372 2.212 0.107 0.00 0.00 O+0 HETATM 19 N UNK 0 2.327 0.950 1.775 0.00 0.00 N+0 HETATM 20 C UNK 0 1.049 1.239 1.143 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.111 1.167 2.023 0.00 0.00 C+0 HETATM 22 O UNK 0 -0.732 2.318 2.159 0.00 0.00 O+0 HETATM 23 N UNK 0 -0.677 0.129 2.739 0.00 0.00 N+0 HETATM 24 C UNK 0 -1.067 -1.212 2.392 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.210 -2.096 3.328 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.443 -3.519 3.164 0.00 0.00 C+0 HETATM 27 C UNK 0 0.263 -4.261 2.255 0.00 0.00 C+0 HETATM 28 C UNK 0 0.068 -5.633 2.093 0.00 0.00 C+0 HETATM 29 C UNK 0 -0.857 -6.269 2.858 0.00 0.00 C+0 HETATM 30 O UNK 0 -1.051 -7.647 2.692 0.00 0.00 O+0 HETATM 31 C UNK 0 -1.588 -5.555 3.782 0.00 0.00 C+0 HETATM 32 C UNK 0 -1.386 -4.202 3.935 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.484 -1.403 2.874 0.00 0.00 C+0 HETATM 34 O UNK 0 -2.758 -0.785 3.959 0.00 0.00 O+0 HETATM 35 N UNK 0 -3.473 -2.159 2.268 0.00 0.00 N+0 HETATM 36 C UNK 0 -3.663 -2.248 0.845 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.342 -3.676 0.422 0.00 0.00 C+0 HETATM 38 C UNK 0 -4.635 -4.444 0.349 0.00 0.00 C+0 HETATM 39 C UNK 0 -5.362 -4.002 -0.930 0.00 0.00 C+0 HETATM 40 O UNK 0 -6.586 -4.601 -0.928 0.00 0.00 O+0 HETATM 41 N UNK 0 -5.467 -2.502 -0.800 0.00 0.00 N+0 HETATM 42 C UNK 0 -5.134 -2.027 0.468 0.00 0.00 C+0 HETATM 43 O UNK 0 -5.777 -1.452 1.383 0.00 0.00 O+0 HETATM 44 C UNK 0 -5.852 -1.841 -2.014 0.00 0.00 C+0 HETATM 45 C UNK 0 -7.193 -1.189 -2.056 0.00 0.00 C+0 HETATM 46 C UNK 0 -8.312 -2.158 -1.825 0.00 0.00 C+0 HETATM 47 C UNK 0 -8.866 -2.878 -2.860 0.00 0.00 C+0 HETATM 48 C UNK 0 -9.898 -3.765 -2.680 0.00 0.00 C+0 HETATM 49 C UNK 0 -10.403 -3.948 -1.418 0.00 0.00 C+0 HETATM 50 C UNK 0 -9.857 -3.236 -0.375 0.00 0.00 C+0 HETATM 51 C UNK 0 -8.822 -2.346 -0.562 0.00 0.00 C+0 HETATM 52 C UNK 0 -4.775 -1.075 -2.694 0.00 0.00 C+0 HETATM 53 O UNK 0 -3.856 -1.875 -3.168 0.00 0.00 O+0 HETATM 54 N UNK 0 -4.584 0.288 -2.907 0.00 0.00 N+0 HETATM 55 C UNK 0 -4.286 0.682 -4.309 0.00 0.00 C+0 HETATM 56 C UNK 0 -4.603 1.421 -2.026 0.00 0.00 C+0 HETATM 57 C UNK 0 -4.724 1.201 -0.571 0.00 0.00 C+0 HETATM 58 C UNK 0 -4.672 2.525 0.132 0.00 0.00 C+0 HETATM 59 C UNK 0 -3.390 2.977 0.487 0.00 0.00 C+0 HETATM 60 C UNK 0 -3.177 4.162 1.149 0.00 0.00 C+0 HETATM 61 C UNK 0 -4.258 4.949 1.484 0.00 0.00 C+0 HETATM 62 O UNK 0 -4.031 6.147 2.155 0.00 0.00 O+0 HETATM 63 C UNK 0 -5.519 4.515 1.140 0.00 0.00 C+0 HETATM 64 C UNK 0 -5.719 3.301 0.462 0.00 0.00 C+0 HETATM 65 C UNK 0 -3.636 2.498 -2.338 0.00 0.00 C+0 HETATM 66 O UNK 0 -4.126 3.676 -2.005 0.00 0.00 O+0 HETATM 67 N UNK 0 -2.376 2.526 -2.891 0.00 0.00 N+0 HETATM 68 C UNK 0 -1.096 1.952 -2.683 0.00 0.00 C+0 HETATM 69 C UNK 0 0.000 2.959 -2.468 0.00 0.00 C+0 HETATM 70 C UNK 0 -0.233 3.844 -1.243 0.00 0.00 C+0 HETATM 71 C UNK 0 0.129 3.878 -3.708 0.00 0.00 C+0 HETATM 72 C UNK 0 -0.979 0.754 -1.856 0.00 0.00 C+0 HETATM 73 O UNK 0 -1.492 -0.364 -2.278 0.00 0.00 O+0 HETATM 74 O UNK 0 -0.365 0.708 -0.663 0.00 0.00 O+0 HETATM 75 C UNK 0 0.916 0.495 -0.191 0.00 0.00 C+0 HETATM 76 C UNK 0 1.364 -0.941 -0.043 0.00 0.00 C+0 HETATM 77 H UNK 0 12.704 3.226 -1.109 0.00 0.00 H+0 HETATM 78 H UNK 0 11.195 3.625 -2.053 0.00 0.00 H+0 HETATM 79 H UNK 0 12.737 3.257 -2.886 0.00 0.00 H+0 HETATM 80 H UNK 0 12.366 1.083 -2.949 0.00 0.00 H+0 HETATM 81 H UNK 0 10.692 1.473 -2.443 0.00 0.00 H+0 HETATM 82 H UNK 0 11.863 -0.386 -1.049 0.00 0.00 H+0 HETATM 83 H UNK 0 13.081 0.819 -0.610 0.00 0.00 H+0 HETATM 84 H UNK 0 11.506 0.524 1.203 0.00 0.00 H+0 HETATM 85 H UNK 0 11.561 2.178 0.545 0.00 0.00 H+0 HETATM 86 H UNK 0 9.548 1.999 -0.653 0.00 0.00 H+0 HETATM 87 H UNK 0 9.273 1.454 1.035 0.00 0.00 H+0 HETATM 88 H UNK 0 9.341 -0.841 0.333 0.00 0.00 H+0 HETATM 89 H UNK 0 9.621 -0.411 -1.379 0.00 0.00 H+0 HETATM 90 H UNK 0 7.544 1.066 -1.284 0.00 0.00 H+0 HETATM 91 H UNK 0 7.224 -0.756 -1.253 0.00 0.00 H+0 HETATM 92 H UNK 0 5.436 1.563 -0.344 0.00 0.00 H+0 HETATM 93 H UNK 0 4.910 0.739 2.516 0.00 0.00 H+0 HETATM 94 H UNK 0 5.160 3.533 1.267 0.00 0.00 H+0 HETATM 95 H UNK 0 4.519 3.200 2.875 0.00 0.00 H+0 HETATM 96 H UNK 0 7.349 2.550 1.793 0.00 0.00 H+0 HETATM 97 H UNK 0 6.951 3.949 2.875 0.00 0.00 H+0 HETATM 98 H UNK 0 8.883 1.193 4.134 0.00 0.00 H+0 HETATM 99 H UNK 0 2.385 0.363 2.616 0.00 0.00 H+0 HETATM 100 H UNK 0 1.216 2.317 0.758 0.00 0.00 H+0 HETATM 101 H UNK 0 -0.877 0.347 3.781 0.00 0.00 H+0 HETATM 102 H UNK 0 -0.976 -1.491 1.346 0.00 0.00 H+0 HETATM 103 H UNK 0 0.821 -1.746 3.216 0.00 0.00 H+0 HETATM 104 H UNK 0 -0.535 -1.786 4.362 0.00 0.00 H+0 HETATM 105 H UNK 0 1.001 -3.787 1.638 0.00 0.00 H+0 HETATM 106 H UNK 0 0.671 -6.162 1.340 0.00 0.00 H+0 HETATM 107 H UNK 0 -0.533 -8.331 3.216 0.00 0.00 H+0 HETATM 108 H UNK 0 -2.311 -6.109 4.367 0.00 0.00 H+0 HETATM 109 H UNK 0 -1.958 -3.648 4.654 0.00 0.00 H+0 HETATM 110 H UNK 0 -4.163 -2.731 2.843 0.00 0.00 H+0 HETATM 111 H UNK 0 -3.016 -1.520 0.355 0.00 0.00 H+0 HETATM 112 H UNK 0 -2.769 -3.700 -0.520 0.00 0.00 H+0 HETATM 113 H UNK 0 -2.725 -4.148 1.231 0.00 0.00 H+0 HETATM 114 H UNK 0 -5.279 -4.131 1.206 0.00 0.00 H+0 HETATM 115 H UNK 0 -4.496 -5.541 0.309 0.00 0.00 H+0 HETATM 116 H UNK 0 -4.735 -4.277 -1.770 0.00 0.00 H+0 HETATM 117 H UNK 0 -6.533 -5.437 -1.419 0.00 0.00 H+0 HETATM 118 H UNK 0 -6.037 -2.689 -2.823 0.00 0.00 H+0 HETATM 119 H UNK 0 -7.367 -0.365 -1.359 0.00 0.00 H+0 HETATM 120 H UNK 0 -7.407 -0.764 -3.083 0.00 0.00 H+0 HETATM 121 H UNK 0 -8.454 -2.720 -3.878 0.00 0.00 H+0 HETATM 122 H UNK 0 -10.292 -4.303 -3.535 0.00 0.00 H+0 HETATM 123 H UNK 0 -11.225 -4.658 -1.269 0.00 0.00 H+0 HETATM 124 H UNK 0 -10.268 -3.396 0.631 0.00 0.00 H+0 HETATM 125 H UNK 0 -8.420 -1.804 0.306 0.00 0.00 H+0 HETATM 126 H UNK 0 -5.111 0.459 -5.003 0.00 0.00 H+0 HETATM 127 H UNK 0 -4.074 1.741 -4.433 0.00 0.00 H+0 HETATM 128 H UNK 0 -3.371 0.088 -4.607 0.00 0.00 H+0 HETATM 129 H UNK 0 -5.678 1.831 -2.281 0.00 0.00 H+0 HETATM 130 H UNK 0 -3.864 0.616 -0.205 0.00 0.00 H+0 HETATM 131 H UNK 0 -5.640 0.667 -0.255 0.00 0.00 H+0 HETATM 132 H UNK 0 -2.548 2.349 0.221 0.00 0.00 H+0 HETATM 133 H UNK 0 -2.191 4.510 1.429 0.00 0.00 H+0 HETATM 134 H UNK 0 -3.888 6.968 1.570 0.00 0.00 H+0 HETATM 135 H UNK 0 -6.345 5.153 1.416 0.00 0.00 H+0 HETATM 136 H UNK 0 -6.716 3.018 0.224 0.00 0.00 H+0 HETATM 137 H UNK 0 -2.342 3.214 -3.759 0.00 0.00 H+0 HETATM 138 H UNK 0 -0.767 1.517 -3.722 0.00 0.00 H+0 HETATM 139 H UNK 0 1.007 2.546 -2.360 0.00 0.00 H+0 HETATM 140 H UNK 0 -1.122 4.487 -1.515 0.00 0.00 H+0 HETATM 141 H UNK 0 0.650 4.463 -1.049 0.00 0.00 H+0 HETATM 142 H UNK 0 -0.552 3.197 -0.440 0.00 0.00 H+0 HETATM 143 H UNK 0 -0.760 4.498 -3.801 0.00 0.00 H+0 HETATM 144 H UNK 0 0.415 3.273 -4.567 0.00 0.00 H+0 HETATM 145 H UNK 0 0.976 4.604 -3.528 0.00 0.00 H+0 HETATM 146 H UNK 0 1.666 0.930 -0.919 0.00 0.00 H+0 HETATM 147 H UNK 0 1.447 -1.280 0.992 0.00 0.00 H+0 HETATM 148 H UNK 0 2.260 -1.190 -0.653 0.00 0.00 H+0 HETATM 149 H UNK 0 0.545 -1.568 -0.506 0.00 0.00 H+0 CONECT 1 2 77 78 79 CONECT 2 1 3 80 81 CONECT 3 2 4 82 83 CONECT 4 3 5 84 85 CONECT 5 4 6 86 87 CONECT 6 5 7 88 89 CONECT 7 6 8 90 91 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 92 CONECT 11 10 12 17 93 CONECT 12 11 13 94 95 CONECT 13 12 14 96 97 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 98 CONECT 17 11 18 19 CONECT 18 17 CONECT 19 17 20 99 CONECT 20 19 21 75 100 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 101 CONECT 24 23 25 33 102 CONECT 25 24 26 103 104 CONECT 26 25 27 32 CONECT 27 26 28 105 CONECT 28 27 29 106 CONECT 29 28 30 31 CONECT 30 29 107 CONECT 31 29 32 108 CONECT 32 31 26 109 CONECT 33 24 34 35 CONECT 34 33 CONECT 35 33 36 110 CONECT 36 35 37 42 111 CONECT 37 36 38 112 113 CONECT 38 37 39 114 115 CONECT 39 38 40 41 116 CONECT 40 39 117 CONECT 41 39 42 44 CONECT 42 41 43 36 CONECT 43 42 CONECT 44 41 45 52 118 CONECT 45 44 46 119 120 CONECT 46 45 47 51 CONECT 47 46 48 121 CONECT 48 47 49 122 CONECT 49 48 50 123 CONECT 50 49 51 124 CONECT 51 50 46 125 CONECT 52 44 53 54 CONECT 53 52 CONECT 54 52 55 56 CONECT 55 54 126 127 128 CONECT 56 54 57 65 129 CONECT 57 56 58 130 131 CONECT 58 57 59 64 CONECT 59 58 60 132 CONECT 60 59 61 133 CONECT 61 60 62 63 CONECT 62 61 134 CONECT 63 61 64 135 CONECT 64 63 58 136 CONECT 65 56 66 67 CONECT 66 65 CONECT 67 65 68 137 CONECT 68 67 69 72 138 CONECT 69 68 70 71 139 CONECT 70 69 140 141 142 CONECT 71 69 143 144 145 CONECT 72 68 73 74 CONECT 73 72 CONECT 74 72 75 CONECT 75 74 76 20 146 CONECT 76 75 147 148 149 CONECT 77 1 CONECT 78 1 CONECT 79 1 CONECT 80 2 CONECT 81 2 CONECT 82 3 CONECT 83 3 CONECT 84 4 CONECT 85 4 CONECT 86 5 CONECT 87 5 CONECT 88 6 CONECT 89 6 CONECT 90 7 CONECT 91 7 CONECT 92 10 CONECT 93 11 CONECT 94 12 CONECT 95 12 CONECT 96 13 CONECT 97 13 CONECT 98 16 CONECT 99 19 CONECT 100 20 CONECT 101 23 CONECT 102 24 CONECT 103 25 CONECT 104 25 CONECT 105 27 CONECT 106 28 CONECT 107 30 CONECT 108 31 CONECT 109 32 CONECT 110 35 CONECT 111 36 CONECT 112 37 CONECT 113 37 CONECT 114 38 CONECT 115 38 CONECT 116 39 CONECT 117 40 CONECT 118 44 CONECT 119 45 CONECT 120 45 CONECT 121 47 CONECT 122 48 CONECT 123 49 CONECT 124 50 CONECT 125 51 CONECT 126 55 CONECT 127 55 CONECT 128 55 CONECT 129 56 CONECT 130 57 CONECT 131 57 CONECT 132 59 CONECT 133 60 CONECT 134 62 CONECT 135 63 CONECT 136 64 CONECT 137 67 CONECT 138 68 CONECT 139 69 CONECT 140 70 CONECT 141 70 CONECT 142 70 CONECT 143 71 CONECT 144 71 CONECT 145 71 CONECT 146 75 CONECT 147 76 CONECT 148 76 CONECT 149 76 MASTER 0 0 0 0 0 0 0 0 149 0 306 0 END