HEADER PROTEIN 21-SEP-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-SEP-21 0 HETATM 1 N UNK 0 3.027 5.213 0.000 0.00 0.00 N+0 HETATM 2 C UNK 0 4.641 4.573 0.000 0.00 0.00 C+0 HETATM 3 N UNK 0 0.269 6.423 0.000 0.00 0.00 N+0 HETATM 4 N UNK 0 15.806 2.186 0.000 0.00 0.00 N+0 HETATM 5 N UNK 0 -3.565 7.096 0.000 0.00 0.00 N+0 HETATM 6 C UNK 0 1.681 4.271 0.000 0.00 0.00 C+0 HETATM 7 N UNK 0 -24.920 14.663 0.000 0.00 0.00 N+0 HETATM 8 N UNK 0 -22.533 13.385 0.000 0.00 0.00 N+0 HETATM 9 N UNK 0 42.946 -7.029 0.000 0.00 0.00 N+0 HETATM 10 N UNK 0 26.736 -1.950 0.000 0.00 0.00 N+0 HETATM 11 C UNK 0 -1.110 7.096 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -23.709 12.645 0.000 0.00 0.00 C+0 HETATM 13 N UNK 0 -6.053 8.710 0.000 0.00 0.00 N+0 HETATM 14 C UNK 0 17.656 -0.875 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 -9.685 9.316 0.000 0.00 0.00 N+0 HETATM 16 N UNK 0 -16.177 11.535 0.000 0.00 0.00 N+0 HETATM 17 C UNK 0 13.990 2.690 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -20.077 13.654 0.000 0.00 0.00 C+0 HETATM 19 N UNK 0 20.077 -0.336 0.000 0.00 0.00 N+0 HETATM 20 N UNK 0 -18.800 13.048 0.000 0.00 0.00 N+0 HETATM 21 N UNK 0 -12.309 10.728 0.000 0.00 0.00 N+0 HETATM 22 N UNK 0 -44.090 20.111 0.000 0.00 0.00 N+0 HETATM 23 N UNK 0 -28.855 15.403 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 -4.843 6.423 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 0.303 5.011 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -24.920 13.351 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.320 6.390 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 15.907 0.134 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -45.402 20.615 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -7.163 9.450 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -13.654 11.434 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -26.232 15.403 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 24.315 -1.177 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -10.997 8.508 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 40.760 -8.038 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -17.387 10.829 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -29.965 14.663 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -21.221 12.948 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 44.998 -8.239 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 6.053 5.280 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 12.208 1.749 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 26.837 -4.305 0.000 0.00 0.00 C+0 HETATM 43 N UNK 0 10.795 2.858 0.000 0.00 0.00 N+0 HETATM 44 C UNK 0 -6.053 7.197 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 29.427 -5.213 0.000 0.00 0.00 C+0 HETATM 46 N UNK 0 -31.311 16.882 0.000 0.00 0.00 N+0 HETATM 47 N UNK 0 37.901 -5.280 0.000 0.00 0.00 N+0 HETATM 48 N UNK 0 -37.733 18.531 0.000 0.00 0.00 N+0 HETATM 49 C UNK 0 -8.408 8.710 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -14.932 10.728 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -42.677 17.891 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 -36.220 16.580 0.000 0.00 0.00 C+0 HETATM 53 N UNK 0 7.466 4.573 0.000 0.00 0.00 N+0 HETATM 54 N UNK 0 31.041 -3.968 0.000 0.00 0.00 N+0 HETATM 55 N UNK 0 -41.668 18.732 0.000 0.00 0.00 N+0 HETATM 56 N UNK 0 -35.043 17.320 0.000 0.00 0.00 N+0 HETATM 57 C UNK 0 -7.264 6.524 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -46.852 19.908 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 47.285 -7.298 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -12.309 9.215 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -22.297 6.390 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 23.104 -13.183 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -18.800 11.535 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 -27.376 14.663 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 21.793 -1.950 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 9.181 1.849 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -39.146 19.136 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 35.413 -3.800 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 -32.588 17.522 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 -31.210 15.403 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 38.036 -7.096 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 -43.989 18.531 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -37.633 17.118 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -7.466 5.213 0.000 0.00 0.00 C+0 HETATM 75 S UNK 0 -3.127 -21.860 0.000 0.00 0.00 S+0 HETATM 76 S UNK 0 14.293 -4.507 0.000 0.00 0.00 S+0 HETATM 77 S UNK 0 -1.009 -1.480 0.000 0.00 0.00 S+0 HETATM 78 S UNK 0 -26.232 -4.708 0.000 0.00 0.00 S+0 HETATM 79 S UNK 0 40.559 -21.860 0.000 0.00 0.00 S+0 HETATM 80 S UNK 0 -49.538 -1.379 0.000 0.00 0.00 S+0 HETATM 81 N UNK 0 -23.508 6.894 0.000 0.00 0.00 N+0 HETATM 82 N UNK 0 20.851 -13.890 0.000 0.00 0.00 N+0 HETATM 83 O UNK 0 1.681 2.657 0.000 0.00 0.00 O+0 HETATM 84 O UNK 0 -23.709 11.031 0.000 0.00 0.00 O+0 HETATM 85 O UNK 0 17.656 -2.354 0.000 0.00 0.00 O+0 HETATM 86 O UNK 0 -1.110 8.508 0.000 0.00 0.00 O+0 HETATM 87 O UNK 0 13.990 4.170 0.000 0.00 0.00 O+0 HETATM 88 O UNK 0 -20.077 15.201 0.000 0.00 0.00 O+0 HETATM 89 O UNK 0 -45.402 21.860 0.000 0.00 0.00 O+0 HETATM 90 O UNK 0 -13.654 12.847 0.000 0.00 0.00 O+0 HETATM 91 O UNK 0 -7.264 10.930 0.000 0.00 0.00 O+0 HETATM 92 O UNK 0 -4.843 4.809 0.000 0.00 0.00 O+0 HETATM 93 O UNK 0 24.315 0.538 0.000 0.00 0.00 O+0 HETATM 94 O UNK 0 40.760 -10.257 0.000 0.00 0.00 O+0 HETATM 95 O UNK 0 -29.965 13.351 0.000 0.00 0.00 O+0 HETATM 96 O UNK 0 -17.387 9.450 0.000 0.00 0.00 O+0 HETATM 97 O UNK 0 -10.997 7.600 0.000 0.00 0.00 O+0 HETATM 98 O UNK 0 -26.232 16.882 0.000 0.00 0.00 O+0 HETATM 99 C UNK 0 -8.408 6.423 0.000 0.00 0.00 C+0 HETATM 100 O UNK 0 6.053 7.096 0.000 0.00 0.00 O+0 HETATM 101 O UNK 0 29.427 -7.029 0.000 0.00 0.00 O+0 HETATM 102 C UNK 0 -26.232 12.544 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 -3.027 4.775 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 -0.908 4.170 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 14.293 -0.875 0.000 0.00 0.00 C+0 HETATM 106 O UNK 0 -42.677 16.277 0.000 0.00 0.00 O+0 HETATM 107 O UNK 0 -36.220 15.167 0.000 0.00 0.00 O+0 HETATM 108 C UNK 0 44.998 -10.661 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 -15.033 9.215 0.000 0.00 0.00 C+0 HETATM 110 O UNK 0 47.285 -5.415 0.000 0.00 0.00 O+0 HETATM 111 C UNK 0 33.059 -5.280 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 -40.155 18.194 0.000 0.00 0.00 C+0 HETATM 113 C UNK 0 7.466 2.690 0.000 0.00 0.00 C+0 HETATM 114 C UNK 0 -33.698 16.614 0.000 0.00 0.00 C+0 HETATM 115 C UNK 0 4.641 2.858 0.000 0.00 0.00 C+0 HETATM 116 O UNK 0 9.181 0.235 0.000 0.00 0.00 O+0 HETATM 117 O UNK 0 -39.146 20.447 0.000 0.00 0.00 O+0 HETATM 118 O UNK 0 35.413 -1.850 0.000 0.00 0.00 O+0 HETATM 119 O UNK 0 -32.588 19.001 0.000 0.00 0.00 O+0 HETATM 120 C UNK 0 -49.402 20.373 0.000 0.00 0.00 C+0 HETATM 121 O UNK 0 -8.812 4.473 0.000 0.00 0.00 O+0 HETATM 122 N UNK 0 -21.019 7.096 0.000 0.00 0.00 N+0 HETATM 123 N UNK 0 23.877 -10.762 0.000 0.00 0.00 N+0 HETATM 124 N UNK 0 25.021 -14.999 0.000 0.00 0.00 N+0 HETATM 125 N UNK 0 -22.196 4.809 0.000 0.00 0.00 N+0 HETATM 126 N UNK 0 -46.769 18.641 0.000 0.00 0.00 N+0 HETATM 127 N UNK 0 49.538 -8.239 0.000 0.00 0.00 N+0 HETATM 128 C UNK 0 -9.685 5.280 0.000 0.00 0.00 C+0 HETATM 129 C UNK 0 -13.452 8.508 0.000 0.00 0.00 C+0 HETATM 130 C UNK 0 -12.309 3.968 0.000 0.00 0.00 C+0 HETATM 131 O UNK 0 -6.154 4.271 0.000 0.00 0.00 O+0 HETATM 132 C UNK 0 -21.221 11.333 0.000 0.00 0.00 C+0 HETATM 133 C UNK 0 12.208 0.134 0.000 0.00 0.00 C+0 HETATM 134 C UNK 0 25.425 -5.482 0.000 0.00 0.00 C+0 HETATM 135 S UNK 0 -14.730 6.222 0.000 0.00 0.00 S+0 HETATM 136 C UNK 0 -10.997 6.087 0.000 0.00 0.00 C+0 HETATM 137 C UNK 0 -9.718 3.969 0.000 0.00 0.00 C+0 HETATM 138 N UNK 0 -40.760 11.535 0.000 0.00 0.00 N+0 HETATM 139 N UNK 0 34.774 -17.488 0.000 0.00 0.00 N+0 HETATM 140 N UNK 0 -47.453 13.351 0.000 0.00 0.00 N+0 HETATM 141 N UNK 0 -30.066 9.013 0.000 0.00 0.00 N+0 HETATM 142 C UNK 0 -10.997 3.161 0.000 0.00 0.00 C+0 HETATM 143 C UNK 0 -12.309 5.481 0.000 0.00 0.00 C+0 HETATM 144 O UNK 0 6.255 1.749 0.000 0.00 0.00 O+0 HETATM 145 O UNK 0 -13.620 3.161 0.000 0.00 0.00 O+0 HETATM 146 O UNK 0 10.997 -0.875 0.000 0.00 0.00 O+0 HETATM 147 O UNK 0 -22.095 10.257 0.000 0.00 0.00 O+0 HETATM 148 O UNK 0 25.425 -7.533 0.000 0.00 0.00 O+0 HETATM 149 C UNK 0 -27.376 13.183 0.000 0.00 0.00 C+0 HETATM 150 C UNK 0 -19.977 10.829 0.000 0.00 0.00 C+0 HETATM 151 C UNK 0 20.784 -4.271 0.000 0.00 0.00 C+0 HETATM 152 C UNK 0 -16.042 8.508 0.000 0.00 0.00 C+0 HETATM 153 C UNK 0 35.918 -8.508 0.000 0.00 0.00 C+0 HETATM 154 C UNK 0 -45.133 17.790 0.000 0.00 0.00 C+0 HETATM 155 C UNK 0 -38.742 16.277 0.000 0.00 0.00 C+0 HETATM 156 C UNK 0 -32.487 14.663 0.000 0.00 0.00 C+0 HETATM 157 C UNK 0 -13.452 7.096 0.000 0.00 0.00 C+0 HETATM 158 C UNK 0 21.490 -8.508 0.000 0.00 0.00 C+0 HETATM 159 C UNK 0 -21.187 8.508 0.000 0.00 0.00 C+0 HETATM 160 C UNK 0 -46.309 14.158 0.000 0.00 0.00 C+0 HETATM 161 C UNK 0 -30.066 10.257 0.000 0.00 0.00 C+0 HETATM 162 C UNK 0 -39.449 12.342 0.000 0.00 0.00 C+0 HETATM 163 C UNK 0 36.287 -15.504 0.000 0.00 0.00 C+0 HETATM 164 C UNK 0 3.531 1.749 0.000 0.00 0.00 C+0 HETATM 165 C UNK 0 -14.730 4.775 0.000 0.00 0.00 C+0 HETATM 166 C UNK 0 22.667 -6.121 0.000 0.00 0.00 C+0 HETATM 167 C UNK 0 -19.876 9.316 0.000 0.00 0.00 C+0 HETATM 168 C UNK 0 36.422 -11.031 0.000 0.00 0.00 C+0 HETATM 169 C UNK 0 -45.133 16.277 0.000 0.00 0.00 C+0 HETATM 170 C UNK 0 -28.754 12.544 0.000 0.00 0.00 C+0 HETATM 171 C UNK 0 -38.541 14.663 0.000 0.00 0.00 C+0 HETATM 172 C UNK 0 -39.751 13.789 0.000 0.00 0.00 C+0 HETATM 173 C UNK 0 35.177 -12.847 0.000 0.00 0.00 C+0 HETATM 174 C UNK 0 -28.855 11.031 0.000 0.00 0.00 C+0 HETATM 175 C UNK 0 -46.309 15.605 0.000 0.00 0.00 C+0 HETATM 176 C UNK 0 -17.589 8.508 0.000 0.00 0.00 C+0 HETATM 177 C UNK 0 -15.336 7.096 0.000 0.00 0.00 C+0 HETATM 178 H UNK 0 14.575 0.876 0.000 0.00 0.00 H+0 HETATM 179 H UNK 0 -2.354 8.098 0.000 0.00 0.00 H+0 HETATM 180 H UNK 0 -23.607 14.376 0.000 0.00 0.00 H+0 HETATM 181 H UNK 0 -1.276 5.533 0.000 0.00 0.00 H+0 HETATM 182 H UNK 0 4.638 6.437 0.000 0.00 0.00 H+0 CONECT 1 2 6 CONECT 2 1 40 115 182 CONECT 3 25 11 CONECT 4 17 28 CONECT 5 27 24 CONECT 6 1 25 83 CONECT 7 26 32 CONECT 8 12 38 CONECT 9 39 35 CONECT 10 33 42 CONECT 11 3 27 86 CONECT 12 8 26 84 CONECT 13 44 30 CONECT 14 28 19 85 CONECT 15 49 34 CONECT 16 50 36 CONECT 17 4 41 87 CONECT 18 38 20 88 CONECT 19 14 65 CONECT 20 18 63 CONECT 21 60 31 CONECT 22 29 72 CONECT 23 64 37 CONECT 24 5 44 92 CONECT 25 3 6 104 181 CONECT 26 7 12 102 180 CONECT 27 5 11 103 179 CONECT 28 14 4 105 178 CONECT 29 22 58 89 CONECT 30 13 49 91 CONECT 31 21 50 90 CONECT 32 7 64 98 CONECT 33 10 65 93 CONECT 34 15 60 97 CONECT 35 9 71 94 CONECT 36 16 63 96 CONECT 37 23 70 95 CONECT 38 18 8 132 CONECT 39 9 108 59 CONECT 40 2 53 100 CONECT 41 17 43 133 CONECT 42 10 45 134 CONECT 43 41 66 CONECT 44 13 24 57 CONECT 45 42 101 54 CONECT 46 69 70 CONECT 47 71 68 CONECT 48 67 73 CONECT 49 15 30 99 CONECT 50 16 31 109 CONECT 51 72 55 106 CONECT 52 73 56 107 CONECT 53 40 113 CONECT 54 111 45 CONECT 55 51 112 CONECT 56 52 114 CONECT 57 44 74 CONECT 58 29 120 126 CONECT 59 39 110 127 CONECT 60 21 34 129 CONECT 61 122 81 125 CONECT 62 123 82 124 CONECT 63 36 150 20 CONECT 64 23 32 149 CONECT 65 33 19 151 CONECT 66 43 113 116 CONECT 67 48 112 117 CONECT 68 47 111 118 CONECT 69 46 114 119 CONECT 70 37 156 46 CONECT 71 47 35 153 CONECT 72 51 22 154 CONECT 73 52 48 155 CONECT 74 57 121 131 CONECT 75 103 79 CONECT 76 105 78 CONECT 77 104 80 CONECT 78 76 102 CONECT 79 75 108 CONECT 80 77 120 CONECT 81 61 CONECT 82 62 CONECT 83 6 CONECT 84 12 CONECT 85 14 CONECT 86 11 CONECT 87 17 CONECT 88 18 CONECT 89 29 CONECT 90 31 CONECT 91 30 CONECT 92 24 CONECT 93 33 CONECT 94 35 CONECT 95 37 CONECT 96 36 CONECT 97 34 CONECT 98 32 CONECT 99 49 128 CONECT 100 40 CONECT 101 45 CONECT 102 26 78 CONECT 103 75 27 CONECT 104 77 25 CONECT 105 76 28 CONECT 106 51 CONECT 107 52 CONECT 108 39 79 CONECT 109 50 152 CONECT 110 59 CONECT 111 54 68 CONECT 112 67 55 CONECT 113 66 53 CONECT 114 69 56 CONECT 115 2 144 164 CONECT 116 66 CONECT 117 67 CONECT 118 68 CONECT 119 69 CONECT 120 58 80 CONECT 121 74 CONECT 122 61 159 CONECT 123 62 158 CONECT 124 62 CONECT 125 61 CONECT 126 58 CONECT 127 59 CONECT 128 99 136 137 CONECT 129 60 157 CONECT 130 142 145 143 CONECT 131 74 CONECT 132 38 147 CONECT 133 41 146 CONECT 134 42 148 CONECT 135 157 165 CONECT 136 128 143 CONECT 137 128 142 CONECT 138 162 CONECT 139 163 CONECT 140 160 CONECT 141 161 CONECT 142 130 137 CONECT 143 136 130 CONECT 144 115 CONECT 145 130 CONECT 146 133 CONECT 147 132 CONECT 148 134 CONECT 149 64 170 CONECT 150 63 167 CONECT 151 65 166 CONECT 152 109 176 177 CONECT 153 71 168 CONECT 154 72 169 CONECT 155 73 171 CONECT 156 70 CONECT 157 135 129 CONECT 158 123 166 CONECT 159 122 167 CONECT 160 140 175 CONECT 161 141 174 CONECT 162 138 172 CONECT 163 139 173 CONECT 164 115 CONECT 165 135 CONECT 166 158 151 CONECT 167 159 150 CONECT 168 153 173 CONECT 169 154 175 CONECT 170 149 174 CONECT 171 155 172 CONECT 172 162 171 CONECT 173 163 168 CONECT 174 161 170 CONECT 175 160 169 CONECT 176 152 CONECT 177 152 CONECT 178 28 CONECT 179 27 CONECT 180 26 CONECT 181 25 CONECT 182 2 MASTER 0 0 0 0 0 0 0 0 182 0 370 0 END