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 9.223 2.245 0.899 0.00 0.00 C+0 HETATM 2 C UNK 0 8.893 3.221 -0.223 0.00 0.00 C+0 HETATM 3 C UNK 0 9.774 4.262 -0.561 0.00 0.00 C+0 HETATM 4 C UNK 0 10.508 5.124 -0.838 0.00 0.00 C+0 HETATM 5 C UNK 0 11.338 6.221 -1.240 0.00 0.00 C+0 HETATM 6 C UNK 0 11.193 7.175 -2.138 0.00 0.00 C+0 HETATM 7 C UNK 0 12.203 8.075 -2.462 0.00 0.00 C+0 HETATM 8 C UNK 0 13.432 8.021 -1.859 0.00 0.00 C+0 HETATM 9 C UNK 0 13.614 7.037 -0.913 0.00 0.00 C+0 HETATM 10 C UNK 0 12.639 6.160 -0.587 0.00 0.00 C+0 HETATM 11 C UNK 0 7.721 3.026 -0.744 0.00 0.00 C+0 HETATM 12 C UNK 0 6.584 2.238 -0.679 0.00 0.00 C+0 HETATM 13 O UNK 0 5.445 3.189 -1.012 0.00 0.00 O+0 HETATM 14 C UNK 0 5.957 1.558 0.467 0.00 0.00 C+0 HETATM 15 C UNK 0 5.477 2.490 1.548 0.00 0.00 C+0 HETATM 16 C UNK 0 4.773 3.682 1.096 0.00 0.00 C+0 HETATM 17 O UNK 0 5.399 4.795 1.102 0.00 0.00 O+0 HETATM 18 N UNK 0 3.459 3.733 0.649 0.00 0.00 N+0 HETATM 19 C UNK 0 2.378 2.768 0.958 0.00 0.00 C+0 HETATM 20 C UNK 0 1.398 3.519 1.835 0.00 0.00 C+0 HETATM 21 O UNK 0 0.874 4.634 1.228 0.00 0.00 O+0 HETATM 22 C UNK 0 1.800 2.393 -0.362 0.00 0.00 C+0 HETATM 23 O UNK 0 2.668 1.874 -1.158 0.00 0.00 O+0 HETATM 24 N UNK 0 0.520 2.526 -0.833 0.00 0.00 N+0 HETATM 25 C UNK 0 -0.728 1.947 -0.324 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.285 1.074 -1.401 0.00 0.00 C+0 HETATM 27 N UNK 0 -0.982 -0.359 -1.322 0.00 0.00 N+0 HETATM 28 C UNK 0 -0.409 -1.008 -2.408 0.00 0.00 C+0 HETATM 29 N UNK 0 -0.328 -2.291 -2.080 0.00 0.00 N+0 HETATM 30 C UNK 0 -0.839 -2.451 -0.805 0.00 0.00 C+0 HETATM 31 C UNK 0 -1.242 -1.234 -0.347 0.00 0.00 C+0 HETATM 32 C UNK 0 -0.903 -3.815 -0.183 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.876 -4.936 -1.254 0.00 0.00 C+0 HETATM 34 N UNK 0 -1.281 -6.190 -0.634 0.00 0.00 N+0 HETATM 35 C UNK 0 -2.476 -6.889 -0.795 0.00 0.00 C+0 HETATM 36 O UNK 0 -2.423 -8.146 -1.078 0.00 0.00 O+0 HETATM 37 C UNK 0 -3.844 -6.308 -0.671 0.00 0.00 C+0 HETATM 38 C UNK 0 -4.214 -6.318 0.765 0.00 0.00 C+0 HETATM 39 O UNK 0 -3.874 -7.598 1.282 0.00 0.00 O+0 HETATM 40 C UNK 0 -5.617 -6.096 1.114 0.00 0.00 C+0 HETATM 41 C UNK 0 -6.451 -5.393 0.047 0.00 0.00 C+0 HETATM 42 C UNK 0 -7.799 -5.938 0.046 0.00 0.00 C+0 HETATM 43 O UNK 0 -8.864 -5.471 -0.371 0.00 0.00 O+0 HETATM 44 O UNK 0 -7.952 -7.258 0.627 0.00 0.00 O+0 HETATM 45 N UNK 0 -6.336 -3.958 0.213 0.00 0.00 N+0 HETATM 46 C UNK 0 -7.261 -3.017 0.653 0.00 0.00 C+0 HETATM 47 O UNK 0 -7.041 -2.459 1.802 0.00 0.00 O+0 HETATM 48 C UNK 0 -8.491 -2.542 -0.010 0.00 0.00 C+0 HETATM 49 O UNK 0 -9.573 -2.809 0.851 0.00 0.00 O+0 HETATM 50 C UNK 0 -8.376 -1.005 -0.056 0.00 0.00 C+0 HETATM 51 N UNK 0 -9.707 -0.448 0.023 0.00 0.00 N+0 HETATM 52 C UNK 0 -10.091 0.626 0.849 0.00 0.00 C+0 HETATM 53 O UNK 0 -11.153 0.552 1.501 0.00 0.00 O+0 HETATM 54 C UNK 0 -9.281 1.904 1.036 0.00 0.00 C+0 HETATM 55 C UNK 0 -10.293 3.044 1.059 0.00 0.00 C+0 HETATM 56 C UNK 0 -9.490 4.277 1.501 0.00 0.00 C+0 HETATM 57 C UNK 0 -10.727 3.408 -0.352 0.00 0.00 C+0 HETATM 58 C UNK 0 -10.511 4.691 -0.853 0.00 0.00 C+0 HETATM 59 C UNK 0 -10.841 5.038 -2.137 0.00 0.00 C+0 HETATM 60 C UNK 0 -11.406 4.124 -3.018 0.00 0.00 C+0 HETATM 61 Br UNK 0 -11.838 4.625 -4.789 0.00 0.00 Br+0 HETATM 62 C UNK 0 -11.632 2.840 -2.518 0.00 0.00 C+0 HETATM 63 C UNK 0 -11.281 2.513 -1.185 0.00 0.00 C+0 HETATM 64 N UNK 0 -8.563 2.060 -0.236 0.00 0.00 N+0 HETATM 65 C UNK 0 -7.521 2.907 -0.536 0.00 0.00 C+0 HETATM 66 O UNK 0 -7.635 3.488 -1.695 0.00 0.00 O+0 HETATM 67 C UNK 0 -6.312 3.249 0.229 0.00 0.00 C+0 HETATM 68 C UNK 0 -5.698 4.465 -0.395 0.00 0.00 C+0 HETATM 69 O UNK 0 -6.855 5.264 -0.878 0.00 0.00 O+0 HETATM 70 C UNK 0 -5.210 5.468 0.619 0.00 0.00 C+0 HETATM 71 N UNK 0 -3.939 6.028 0.537 0.00 0.00 N+0 HETATM 72 O UNK 0 -5.982 5.794 1.539 0.00 0.00 O+0 HETATM 73 N UNK 0 -5.531 2.146 0.629 0.00 0.00 N+0 HETATM 74 C UNK 0 -4.240 1.876 1.013 0.00 0.00 C+0 HETATM 75 O UNK 0 -3.800 0.668 0.582 0.00 0.00 O+0 HETATM 76 C UNK 0 -3.224 2.579 1.769 0.00 0.00 C+0 HETATM 77 C UNK 0 -3.804 3.255 2.998 0.00 0.00 C+0 HETATM 78 C UNK 0 -2.703 4.027 3.660 0.00 0.00 C+0 HETATM 79 N UNK 0 -2.795 5.479 3.661 0.00 0.00 N+0 HETATM 80 O UNK 0 -1.714 3.502 4.205 0.00 0.00 O+0 HETATM 81 N UNK 0 -2.308 3.413 1.062 0.00 0.00 N+0 HETATM 82 C UNK 0 -1.697 3.081 -0.153 0.00 0.00 C+0 HETATM 83 O UNK 0 -1.913 3.711 -1.244 0.00 0.00 O+0 HETATM 84 C UNK 0 0.399 -5.064 -1.979 0.00 0.00 C+0 HETATM 85 O UNK 0 0.455 -4.519 -3.144 0.00 0.00 O+0 HETATM 86 N UNK 0 1.587 -5.714 -1.581 0.00 0.00 N+0 HETATM 87 C UNK 0 2.407 -5.443 -0.435 0.00 0.00 C+0 HETATM 88 C UNK 0 3.350 -6.624 -0.220 0.00 0.00 C+0 HETATM 89 C UNK 0 2.431 -7.810 0.206 0.00 0.00 C+0 HETATM 90 O UNK 0 4.133 -6.353 0.888 0.00 0.00 O+0 HETATM 91 C UNK 0 3.151 -4.170 -0.488 0.00 0.00 C+0 HETATM 92 O UNK 0 2.990 -3.392 0.535 0.00 0.00 O+0 HETATM 93 N UNK 0 3.999 -3.721 -1.504 0.00 0.00 N+0 HETATM 94 C UNK 0 5.192 -4.331 -2.050 0.00 0.00 C+0 HETATM 95 C UNK 0 4.949 -4.735 -3.526 0.00 0.00 C+0 HETATM 96 O UNK 0 3.922 -5.629 -3.675 0.00 0.00 O+0 HETATM 97 C UNK 0 6.420 -3.517 -1.981 0.00 0.00 C+0 HETATM 98 O UNK 0 7.388 -3.965 -2.708 0.00 0.00 O+0 HETATM 99 N UNK 0 6.696 -2.362 -1.271 0.00 0.00 N+0 HETATM 100 C UNK 0 6.126 -1.898 -0.021 0.00 0.00 C+0 HETATM 101 C UNK 0 6.203 -2.937 1.097 0.00 0.00 C+0 HETATM 102 C UNK 0 7.590 -3.260 1.479 0.00 0.00 C+0 HETATM 103 C UNK 0 8.382 -4.175 0.846 0.00 0.00 C+0 HETATM 104 C UNK 0 9.684 -4.436 1.248 0.00 0.00 C+0 HETATM 105 C UNK 0 10.226 -3.768 2.314 0.00 0.00 C+0 HETATM 106 C UNK 0 9.450 -2.844 2.968 0.00 0.00 C+0 HETATM 107 C UNK 0 8.162 -2.576 2.581 0.00 0.00 C+0 HETATM 108 C UNK 0 7.024 -0.776 0.500 0.00 0.00 C+0 HETATM 109 O UNK 0 8.245 -1.040 0.357 0.00 0.00 O+0 HETATM 110 N UNK 0 6.587 0.428 1.077 0.00 0.00 N+0 HETATM 111 H UNK 0 9.981 2.862 1.511 0.00 0.00 H+0 HETATM 112 H UNK 0 8.408 1.960 1.520 0.00 0.00 H+0 HETATM 113 H UNK 0 9.830 1.404 0.528 0.00 0.00 H+0 HETATM 114 H UNK 0 10.826 3.754 0.224 0.00 0.00 H+0 HETATM 115 H UNK 0 9.386 5.706 -1.476 0.00 0.00 H+0 HETATM 116 H UNK 0 10.230 7.310 -2.685 0.00 0.00 H+0 HETATM 117 H UNK 0 12.020 8.813 -3.195 0.00 0.00 H+0 HETATM 118 H UNK 0 14.239 8.682 -2.096 0.00 0.00 H+0 HETATM 119 H UNK 0 14.609 7.027 -0.434 0.00 0.00 H+0 HETATM 120 H UNK 0 12.753 5.400 0.133 0.00 0.00 H+0 HETATM 121 H UNK 0 7.631 3.833 -1.612 0.00 0.00 H+0 HETATM 122 H UNK 0 6.410 1.542 -1.584 0.00 0.00 H+0 HETATM 123 H UNK 0 5.882 3.950 -1.459 0.00 0.00 H+0 HETATM 124 H UNK 0 4.938 1.093 0.094 0.00 0.00 H+0 HETATM 125 H UNK 0 6.371 2.777 2.124 0.00 0.00 H+0 HETATM 126 H UNK 0 4.838 1.896 2.231 0.00 0.00 H+0 HETATM 127 H UNK 0 3.150 4.535 0.021 0.00 0.00 H+0 HETATM 128 H UNK 0 2.748 1.935 1.549 0.00 0.00 H+0 HETATM 129 H UNK 0 2.020 3.878 2.709 0.00 0.00 H+0 HETATM 130 H UNK 0 0.652 2.851 2.323 0.00 0.00 H+0 HETATM 131 H UNK 0 0.695 4.537 0.269 0.00 0.00 H+0 HETATM 132 H UNK 0 0.359 3.139 -1.698 0.00 0.00 H+0 HETATM 133 H UNK 0 -0.594 1.348 0.571 0.00 0.00 H+0 HETATM 134 H UNK 0 -0.879 1.539 -2.362 0.00 0.00 H+0 HETATM 135 H UNK 0 -2.395 1.258 -1.590 0.00 0.00 H+0 HETATM 136 H UNK 0 -0.066 -0.553 -3.357 0.00 0.00 H+0 HETATM 137 H UNK 0 -1.693 -1.002 0.698 0.00 0.00 H+0 HETATM 138 H UNK 0 -0.060 -4.049 0.477 0.00 0.00 H+0 HETATM 139 H UNK 0 -1.860 -4.042 0.352 0.00 0.00 H+0 HETATM 140 H UNK 0 -1.723 -4.669 -1.966 0.00 0.00 H+0 HETATM 141 H UNK 0 -0.536 -6.601 0.013 0.00 0.00 H+0 HETATM 142 H UNK 0 -3.776 -5.303 -1.094 0.00 0.00 H+0 HETATM 143 H UNK 0 -4.548 -6.940 -1.255 0.00 0.00 H+0 HETATM 144 H UNK 0 -3.530 -5.606 1.303 0.00 0.00 H+0 HETATM 145 H UNK 0 -4.397 -7.716 2.123 0.00 0.00 H+0 HETATM 146 H UNK 0 -5.652 -5.429 2.005 0.00 0.00 H+0 HETATM 147 H UNK 0 -6.154 -7.044 1.430 0.00 0.00 H+0 HETATM 148 H UNK 0 -6.044 -5.592 -0.984 0.00 0.00 H+0 HETATM 149 H UNK 0 -8.162 -7.297 1.610 0.00 0.00 H+0 HETATM 150 H UNK 0 -5.345 -3.591 -0.026 0.00 0.00 H+0 HETATM 151 H UNK 0 -8.658 -2.935 -1.027 0.00 0.00 H+0 HETATM 152 H UNK 0 -10.303 -3.279 0.418 0.00 0.00 H+0 HETATM 153 H UNK 0 -7.883 -0.748 -1.005 0.00 0.00 H+0 HETATM 154 H UNK 0 -7.752 -0.644 0.811 0.00 0.00 H+0 HETATM 155 H UNK 0 -10.417 -0.923 -0.608 0.00 0.00 H+0 HETATM 156 H UNK 0 -8.683 1.869 1.920 0.00 0.00 H+0 HETATM 157 H UNK 0 -11.156 2.892 1.656 0.00 0.00 H+0 HETATM 158 H UNK 0 -8.800 4.637 0.771 0.00 0.00 H+0 HETATM 159 H UNK 0 -8.966 3.922 2.441 0.00 0.00 H+0 HETATM 160 H UNK 0 -10.221 5.022 1.831 0.00 0.00 H+0 HETATM 161 H UNK 0 -10.096 5.434 -0.197 0.00 0.00 H+0 HETATM 162 H UNK 0 -10.678 6.023 -2.540 0.00 0.00 H+0 HETATM 163 H UNK 0 -12.065 2.093 -3.158 0.00 0.00 H+0 HETATM 164 H UNK 0 -11.502 1.468 -0.896 0.00 0.00 H+0 HETATM 165 H UNK 0 -8.927 1.392 -1.016 0.00 0.00 H+0 HETATM 166 H UNK 0 -6.769 3.703 1.202 0.00 0.00 H+0 HETATM 167 H UNK 0 -5.073 4.353 -1.262 0.00 0.00 H+0 HETATM 168 H UNK 0 -6.648 6.200 -0.848 0.00 0.00 H+0 HETATM 169 H UNK 0 -3.634 6.744 1.265 0.00 0.00 H+0 HETATM 170 H UNK 0 -3.221 5.824 -0.174 0.00 0.00 H+0 HETATM 171 H UNK 0 -6.177 1.206 0.583 0.00 0.00 H+0 HETATM 172 H UNK 0 -2.501 1.798 2.259 0.00 0.00 H+0 HETATM 173 H UNK 0 -4.079 2.464 3.771 0.00 0.00 H+0 HETATM 174 H UNK 0 -4.684 3.837 2.857 0.00 0.00 H+0 HETATM 175 H UNK 0 -1.971 6.089 3.826 0.00 0.00 H+0 HETATM 176 H UNK 0 -3.679 5.956 3.484 0.00 0.00 H+0 HETATM 177 H UNK 0 -2.055 4.397 1.480 0.00 0.00 H+0 HETATM 178 H UNK 0 1.937 -6.525 -2.189 0.00 0.00 H+0 HETATM 179 H UNK 0 1.718 -5.485 0.453 0.00 0.00 H+0 HETATM 180 H UNK 0 3.845 -6.952 -1.102 0.00 0.00 H+0 HETATM 181 H UNK 0 1.474 -7.807 -0.430 0.00 0.00 H+0 HETATM 182 H UNK 0 2.233 -7.734 1.296 0.00 0.00 H+0 HETATM 183 H UNK 0 3.008 -8.736 -0.011 0.00 0.00 H+0 HETATM 184 H UNK 0 4.878 -6.981 0.953 0.00 0.00 H+0 HETATM 185 H UNK 0 3.755 -2.788 -1.979 0.00 0.00 H+0 HETATM 186 H UNK 0 5.448 -5.303 -1.555 0.00 0.00 H+0 HETATM 187 H UNK 0 5.911 -5.188 -3.851 0.00 0.00 H+0 HETATM 188 H UNK 0 4.727 -3.804 -4.106 0.00 0.00 H+0 HETATM 189 H UNK 0 4.270 -6.521 -3.417 0.00 0.00 H+0 HETATM 190 H UNK 0 7.461 -1.713 -1.668 0.00 0.00 H+0 HETATM 191 H UNK 0 5.115 -1.532 -0.197 0.00 0.00 H+0 HETATM 192 H UNK 0 5.674 -2.476 1.957 0.00 0.00 H+0 HETATM 193 H UNK 0 5.683 -3.846 0.854 0.00 0.00 H+0 HETATM 194 H UNK 0 7.998 -4.737 -0.004 0.00 0.00 H+0 HETATM 195 H UNK 0 10.273 -5.161 0.713 0.00 0.00 H+0 HETATM 196 H UNK 0 11.258 -3.968 2.646 0.00 0.00 H+0 HETATM 197 H UNK 0 9.838 -2.310 3.808 0.00 0.00 H+0 HETATM 198 H UNK 0 7.511 -1.873 3.072 0.00 0.00 H+0 HETATM 199 H UNK 0 6.761 0.528 2.140 0.00 0.00 H+0 CONECT 1 2 111 112 113 CONECT 2 1 3 11 CONECT 3 2 4 114 CONECT 4 3 5 115 CONECT 5 4 6 10 CONECT 6 5 7 116 CONECT 7 6 8 117 CONECT 8 7 9 118 CONECT 9 8 10 119 CONECT 10 9 5 120 CONECT 11 2 12 121 CONECT 12 11 13 14 122 CONECT 13 12 123 CONECT 14 12 15 110 124 CONECT 15 14 16 125 126 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 127 CONECT 19 18 20 22 128 CONECT 20 19 21 129 130 CONECT 21 20 131 CONECT 22 19 23 24 CONECT 23 22 CONECT 24 22 25 132 CONECT 25 24 26 82 133 CONECT 26 25 27 134 135 CONECT 27 26 28 31 CONECT 28 27 29 136 CONECT 29 28 30 CONECT 30 29 31 32 CONECT 31 30 27 137 CONECT 32 30 33 138 139 CONECT 33 32 34 84 140 CONECT 34 33 35 141 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 142 143 CONECT 38 37 39 40 144 CONECT 39 38 145 CONECT 40 38 41 146 147 CONECT 41 40 42 45 148 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 149 CONECT 45 41 46 150 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 50 151 CONECT 49 48 152 CONECT 50 48 51 153 154 CONECT 51 50 52 155 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 64 156 CONECT 55 54 56 57 157 CONECT 56 55 158 159 160 CONECT 57 55 58 63 CONECT 58 57 59 161 CONECT 59 58 60 162 CONECT 60 59 61 62 CONECT 61 60 CONECT 62 60 63 163 CONECT 63 62 57 164 CONECT 64 54 65 165 CONECT 65 64 66 67 CONECT 66 65 CONECT 67 65 68 73 166 CONECT 68 67 69 70 167 CONECT 69 68 168 CONECT 70 68 71 72 CONECT 71 70 169 170 CONECT 72 70 CONECT 73 67 74 171 CONECT 74 73 75 76 CONECT 75 74 CONECT 76 74 77 81 172 CONECT 77 76 78 173 174 CONECT 78 77 79 80 CONECT 79 78 175 176 CONECT 80 78 CONECT 81 76 82 177 CONECT 82 81 83 25 CONECT 83 82 CONECT 84 33 85 86 CONECT 85 84 CONECT 86 84 87 178 CONECT 87 86 88 91 179 CONECT 88 87 89 90 180 CONECT 89 88 181 182 183 CONECT 90 88 184 CONECT 91 87 92 93 CONECT 92 91 CONECT 93 91 94 185 CONECT 94 93 95 97 186 CONECT 95 94 96 187 188 CONECT 96 95 189 CONECT 97 94 98 99 CONECT 98 97 CONECT 99 97 100 190 CONECT 100 99 101 108 191 CONECT 101 100 102 192 193 CONECT 102 101 103 107 CONECT 103 102 104 194 CONECT 104 103 105 195 CONECT 105 104 106 196 CONECT 106 105 107 197 CONECT 107 106 102 198 CONECT 108 100 109 110 CONECT 109 108 CONECT 110 108 14 199 CONECT 111 1 CONECT 112 1 CONECT 113 1 CONECT 114 3 CONECT 115 4 CONECT 116 6 CONECT 117 7 CONECT 118 8 CONECT 119 9 CONECT 120 10 CONECT 121 11 CONECT 122 12 CONECT 123 13 CONECT 124 14 CONECT 125 15 CONECT 126 15 CONECT 127 18 CONECT 128 19 CONECT 129 20 CONECT 130 20 CONECT 131 21 CONECT 132 24 CONECT 133 25 CONECT 134 26 CONECT 135 26 CONECT 136 28 CONECT 137 31 CONECT 138 32 CONECT 139 32 CONECT 140 33 CONECT 141 34 CONECT 142 37 CONECT 143 37 CONECT 144 38 CONECT 145 39 CONECT 146 40 CONECT 147 40 CONECT 148 41 CONECT 149 44 CONECT 150 45 CONECT 151 48 CONECT 152 49 CONECT 153 50 CONECT 154 50 CONECT 155 51 CONECT 156 54 CONECT 157 55 CONECT 158 56 CONECT 159 56 CONECT 160 56 CONECT 161 58 CONECT 162 59 CONECT 163 62 CONECT 164 63 CONECT 165 64 CONECT 166 67 CONECT 167 68 CONECT 168 69 CONECT 169 71 CONECT 170 71 CONECT 171 73 CONECT 172 76 CONECT 173 77 CONECT 174 77 CONECT 175 79 CONECT 176 79 CONECT 177 81 CONECT 178 86 CONECT 179 87 CONECT 180 88 CONECT 181 89 CONECT 182 89 CONECT 183 89 CONECT 184 90 CONECT 185 93 CONECT 186 94 CONECT 187 95 CONECT 188 95 CONECT 189 96 CONECT 190 99 CONECT 191 100 CONECT 192 101 CONECT 193 101 CONECT 194 103 CONECT 195 104 CONECT 196 105 CONECT 197 106 CONECT 198 107 CONECT 199 110 MASTER 0 0 0 0 0 0 0 0 199 0 408 0 END