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 -19.660 -1.343 3.160 0.00 0.00 C+0 HETATM 2 C UNK 0 -19.284 -0.011 2.534 0.00 0.00 C+0 HETATM 3 C UNK 0 -17.870 0.381 2.865 0.00 0.00 C+0 HETATM 4 C UNK 0 -16.845 -0.622 2.377 0.00 0.00 C+0 HETATM 5 C UNK 0 -16.982 -0.717 0.891 0.00 0.00 C+0 HETATM 6 C UNK 0 -16.012 -1.682 0.283 0.00 0.00 C+0 HETATM 7 C UNK 0 -14.560 -1.308 0.546 0.00 0.00 C+0 HETATM 8 C UNK 0 -14.235 0.041 -0.001 0.00 0.00 C+0 HETATM 9 C UNK 0 -12.838 0.516 0.192 0.00 0.00 C+0 HETATM 10 C UNK 0 -11.857 -0.333 -0.497 0.00 0.00 C+0 HETATM 11 O UNK 0 -12.195 -1.351 -1.138 0.00 0.00 O+0 HETATM 12 N UNK 0 -10.468 -0.033 -0.471 0.00 0.00 N+0 HETATM 13 C UNK 0 -9.479 -0.834 -1.142 0.00 0.00 C+0 HETATM 14 C UNK 0 -8.971 0.022 -2.323 0.00 0.00 C+0 HETATM 15 C UNK 0 -10.180 0.307 -3.166 0.00 0.00 C+0 HETATM 16 C UNK 0 -10.873 1.503 -3.218 0.00 0.00 C+0 HETATM 17 N UNK 0 -11.884 1.315 -4.080 0.00 0.00 N+0 HETATM 18 C UNK 0 -11.856 0.068 -4.565 0.00 0.00 C+0 HETATM 19 C UNK 0 -12.664 -0.588 -5.452 0.00 0.00 C+0 HETATM 20 C UNK 0 -12.434 -1.901 -5.802 0.00 0.00 C+0 HETATM 21 C UNK 0 -11.367 -2.590 -5.255 0.00 0.00 C+0 HETATM 22 C UNK 0 -10.567 -1.913 -4.365 0.00 0.00 C+0 HETATM 23 C UNK 0 -10.788 -0.587 -4.002 0.00 0.00 C+0 HETATM 24 C UNK 0 -8.371 -1.151 -0.203 0.00 0.00 C+0 HETATM 25 O UNK 0 -8.531 -0.714 0.986 0.00 0.00 O+0 HETATM 26 N UNK 0 -7.244 -1.876 -0.612 0.00 0.00 N+0 HETATM 27 C UNK 0 -6.099 -2.267 0.179 0.00 0.00 C+0 HETATM 28 C UNK 0 -6.652 -2.952 1.418 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.573 -3.413 2.361 0.00 0.00 C+0 HETATM 30 C UNK 0 -6.199 -4.132 3.534 0.00 0.00 C+0 HETATM 31 O UNK 0 -5.454 -4.582 4.410 0.00 0.00 O+0 HETATM 32 O UNK 0 -7.561 -4.269 3.600 0.00 0.00 O+0 HETATM 33 C UNK 0 -5.228 -1.134 0.429 0.00 0.00 C+0 HETATM 34 O UNK 0 -5.682 0.029 0.125 0.00 0.00 O+0 HETATM 35 N UNK 0 -3.930 -1.139 0.968 0.00 0.00 N+0 HETATM 36 C UNK 0 -3.130 0.055 1.196 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.808 -0.078 0.597 0.00 0.00 C+0 HETATM 38 O UNK 0 -1.549 -1.162 -0.038 0.00 0.00 O+0 HETATM 39 N UNK 0 -0.773 0.864 0.637 0.00 0.00 N+0 HETATM 40 C UNK 0 0.533 0.627 -0.003 0.00 0.00 C+0 HETATM 41 C UNK 0 1.528 0.687 1.080 0.00 0.00 C+0 HETATM 42 O UNK 0 1.358 1.508 2.008 0.00 0.00 O+0 HETATM 43 N UNK 0 2.685 -0.151 1.123 0.00 0.00 N+0 HETATM 44 C UNK 0 3.708 0.119 2.111 0.00 0.00 C+0 HETATM 45 C UNK 0 2.816 -1.262 0.176 0.00 0.00 C+0 HETATM 46 C UNK 0 3.944 -2.136 0.573 0.00 0.00 C+0 HETATM 47 O UNK 0 5.029 -1.539 0.864 0.00 0.00 O+0 HETATM 48 N UNK 0 3.939 -3.533 0.661 0.00 0.00 N+0 HETATM 49 C UNK 0 3.350 -4.438 -0.322 0.00 0.00 C+0 HETATM 50 C UNK 0 3.063 -3.756 -1.630 0.00 0.00 C+0 HETATM 51 C UNK 0 4.170 -5.644 -0.574 0.00 0.00 C+0 HETATM 52 O UNK 0 3.624 -6.770 -0.368 0.00 0.00 O+0 HETATM 53 N UNK 0 5.504 -5.665 -1.025 0.00 0.00 N+0 HETATM 54 C UNK 0 6.565 -4.761 -0.517 0.00 0.00 C+0 HETATM 55 C UNK 0 7.048 -5.442 0.728 0.00 0.00 C+0 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0.00 0.00 C+0 HETATM 95 C UNK 0 4.807 8.233 0.447 0.00 0.00 C+0 HETATM 96 C UNK 0 5.934 8.218 1.381 0.00 0.00 C+0 HETATM 97 O UNK 0 5.869 8.744 2.538 0.00 0.00 O+0 HETATM 98 O UNK 0 7.145 7.633 1.069 0.00 0.00 O+0 HETATM 99 C UNK 0 4.082 5.419 0.611 0.00 0.00 C+0 HETATM 100 O UNK 0 4.675 4.818 1.623 0.00 0.00 O+0 HETATM 101 N UNK 0 2.709 5.456 0.704 0.00 0.00 N+0 HETATM 102 C UNK 0 1.603 4.754 0.138 0.00 0.00 C+0 HETATM 103 C UNK 0 0.352 5.606 -0.077 0.00 0.00 C+0 HETATM 104 C UNK 0 -0.110 6.199 1.217 0.00 0.00 C+0 HETATM 105 C UNK 0 0.366 6.542 -1.210 0.00 0.00 C+0 HETATM 106 C UNK 0 1.388 7.609 -1.244 0.00 0.00 C+0 HETATM 107 C UNK 0 1.852 3.875 -1.004 0.00 0.00 C+0 HETATM 108 O UNK 0 2.230 4.451 -2.082 0.00 0.00 O+0 HETATM 109 O UNK 0 1.707 2.550 -0.974 0.00 0.00 O+0 HETATM 110 C UNK 0 0.697 1.632 -1.089 0.00 0.00 C+0 HETATM 111 C UNK 0 -0.667 2.201 -1.498 0.00 0.00 C+0 HETATM 112 C UNK 0 -3.091 0.286 2.699 0.00 0.00 C+0 HETATM 113 O UNK 0 -2.516 -0.758 3.376 0.00 0.00 O+0 HETATM 114 C UNK 0 -2.587 1.626 3.047 0.00 0.00 C+0 HETATM 115 N UNK 0 -1.538 1.863 3.978 0.00 0.00 N+0 HETATM 116 O UNK 0 -3.112 2.622 2.492 0.00 0.00 O+0 HETATM 117 H UNK 0 -19.657 -1.244 4.266 0.00 0.00 H+0 HETATM 118 H UNK 0 -18.977 -2.148 2.823 0.00 0.00 H+0 HETATM 119 H UNK 0 -20.686 -1.587 2.865 0.00 0.00 H+0 HETATM 120 H UNK 0 -19.504 -0.012 1.456 0.00 0.00 H+0 HETATM 121 H UNK 0 -19.968 0.753 3.005 0.00 0.00 H+0 HETATM 122 H UNK 0 -17.682 1.348 2.357 0.00 0.00 H+0 HETATM 123 H UNK 0 -17.794 0.518 3.958 0.00 0.00 H+0 HETATM 124 H UNK 0 -17.004 -1.612 2.831 0.00 0.00 H+0 HETATM 125 H UNK 0 -15.855 -0.268 2.702 0.00 0.00 H+0 HETATM 126 H UNK 0 -18.007 -1.113 0.644 0.00 0.00 H+0 HETATM 127 H UNK 0 -16.945 0.289 0.412 0.00 0.00 H+0 HETATM 128 H UNK 0 -16.179 -2.679 0.735 0.00 0.00 H+0 HETATM 129 H UNK 0 -16.192 -1.742 -0.812 0.00 0.00 H+0 HETATM 130 H UNK 0 -14.393 -1.381 1.640 0.00 0.00 H+0 HETATM 131 H UNK 0 -13.954 -2.079 0.066 0.00 0.00 H+0 HETATM 132 H UNK 0 -14.947 0.762 0.508 0.00 0.00 H+0 HETATM 133 H UNK 0 -14.514 0.139 -1.081 0.00 0.00 H+0 HETATM 134 H UNK 0 -12.582 0.614 1.278 0.00 0.00 H+0 HETATM 135 H UNK 0 -12.754 1.541 -0.257 0.00 0.00 H+0 HETATM 136 H UNK 0 -10.159 0.808 0.057 0.00 0.00 H+0 HETATM 137 H UNK 0 -9.919 -1.775 -1.545 0.00 0.00 H+0 HETATM 138 H UNK 0 -8.643 0.966 -1.869 0.00 0.00 H+0 HETATM 139 H UNK 0 -8.180 -0.471 -2.886 0.00 0.00 H+0 HETATM 140 H UNK 0 -10.609 2.392 -2.655 0.00 0.00 H+0 HETATM 141 H UNK 0 -12.595 2.060 -4.330 0.00 0.00 H+0 HETATM 142 H UNK 0 -13.505 -0.090 -5.901 0.00 0.00 H+0 HETATM 143 H UNK 0 -13.100 -2.374 -6.505 0.00 0.00 H+0 HETATM 144 H UNK 0 -11.212 -3.617 -5.550 0.00 0.00 H+0 HETATM 145 H UNK 0 -9.731 -2.421 -3.924 0.00 0.00 H+0 HETATM 146 H UNK 0 -7.236 -2.172 -1.636 0.00 0.00 H+0 HETATM 147 H UNK 0 -5.589 -3.114 -0.371 0.00 0.00 H+0 HETATM 148 H UNK 0 -7.278 -2.248 1.984 0.00 0.00 H+0 HETATM 149 H UNK 0 -7.309 -3.802 1.138 0.00 0.00 H+0 HETATM 150 H UNK 0 -5.027 -2.513 2.793 0.00 0.00 H+0 HETATM 151 H UNK 0 -4.832 -4.072 1.927 0.00 0.00 H+0 HETATM 152 H UNK 0 -8.075 -4.098 4.468 0.00 0.00 H+0 HETATM 153 H UNK 0 -3.483 -2.071 1.205 0.00 0.00 H+0 HETATM 154 H UNK 0 -3.667 0.910 0.761 0.00 0.00 H+0 HETATM 155 H UNK 0 -0.925 1.764 1.143 0.00 0.00 H+0 HETATM 156 H UNK 0 0.463 -0.421 -0.426 0.00 0.00 H+0 HETATM 157 H UNK 0 3.315 0.877 2.853 0.00 0.00 H+0 HETATM 158 H UNK 0 4.611 0.596 1.687 0.00 0.00 H+0 HETATM 159 H UNK 0 3.929 -0.769 2.759 0.00 0.00 H+0 HETATM 160 H UNK 0 1.849 -1.810 0.144 0.00 0.00 H+0 HETATM 161 H UNK 0 3.027 -0.897 -0.839 0.00 0.00 H+0 HETATM 162 H UNK 0 4.381 -4.029 1.486 0.00 0.00 H+0 HETATM 163 H UNK 0 2.379 -4.735 0.130 0.00 0.00 H+0 HETATM 164 H UNK 0 3.782 -2.958 -1.893 0.00 0.00 H+0 HETATM 165 H UNK 0 3.135 -4.524 -2.439 0.00 0.00 H+0 HETATM 166 H UNK 0 2.011 -3.426 -1.631 0.00 0.00 H+0 HETATM 167 H UNK 0 5.841 -6.326 -1.756 0.00 0.00 H+0 HETATM 168 H UNK 0 6.118 -3.814 -0.230 0.00 0.00 H+0 HETATM 169 H UNK 0 7.598 -4.830 1.432 0.00 0.00 H+0 HETATM 170 H UNK 0 6.083 -5.692 1.299 0.00 0.00 H+0 HETATM 171 H UNK 0 7.141 -8.169 -0.960 0.00 0.00 H+0 HETATM 172 H UNK 0 9.390 -5.422 -2.159 0.00 0.00 H+0 HETATM 173 H UNK 0 10.916 -3.798 -1.606 0.00 0.00 H+0 HETATM 174 H UNK 0 9.879 -4.613 1.138 0.00 0.00 H+0 HETATM 175 H UNK 0 11.477 -3.961 0.625 0.00 0.00 H+0 HETATM 176 H UNK 0 11.959 -5.608 -0.869 0.00 0.00 H+0 HETATM 177 H UNK 0 10.379 -6.444 -0.741 0.00 0.00 H+0 HETATM 178 H UNK 0 12.525 -5.989 1.386 0.00 0.00 H+0 HETATM 179 H UNK 0 10.893 -6.761 1.707 0.00 0.00 H+0 HETATM 180 H UNK 0 12.951 -7.642 -0.372 0.00 0.00 H+0 HETATM 181 H UNK 0 12.710 -8.451 1.263 0.00 0.00 H+0 HETATM 182 H UNK 0 11.166 -8.591 -1.224 0.00 0.00 H+0 HETATM 183 H UNK 0 11.051 -9.629 0.175 0.00 0.00 H+0 HETATM 184 H UNK 0 10.086 -0.498 -1.361 0.00 0.00 H+0 HETATM 185 H UNK 0 11.857 -1.681 0.822 0.00 0.00 H+0 HETATM 186 H UNK 0 12.182 0.769 -1.014 0.00 0.00 H+0 HETATM 187 H UNK 0 14.078 1.930 -0.658 0.00 0.00 H+0 HETATM 188 H UNK 0 14.599 1.754 1.059 0.00 0.00 H+0 HETATM 189 H UNK 0 12.874 2.152 0.623 0.00 0.00 H+0 HETATM 190 H UNK 0 12.875 -2.104 -3.357 0.00 0.00 H+0 HETATM 191 H UNK 0 10.497 2.239 1.306 0.00 0.00 H+0 HETATM 192 H UNK 0 8.336 0.441 0.194 0.00 0.00 H+0 HETATM 193 H UNK 0 9.079 1.586 -0.913 0.00 0.00 H+0 HETATM 194 H UNK 0 8.043 4.561 0.651 0.00 0.00 H+0 HETATM 195 H UNK 0 8.047 3.100 -1.944 0.00 0.00 H+0 HETATM 196 H UNK 0 7.954 6.112 -1.381 0.00 0.00 H+0 HETATM 197 H UNK 0 7.907 5.255 -2.997 0.00 0.00 H+0 HETATM 198 H UNK 0 10.557 4.026 -0.297 0.00 0.00 H+0 HETATM 199 H UNK 0 10.622 3.173 -1.927 0.00 0.00 H+0 HETATM 200 H UNK 0 4.673 5.386 -2.369 0.00 0.00 H+0 HETATM 201 H UNK 0 6.125 5.841 0.134 0.00 0.00 H+0 HETATM 202 H UNK 0 5.962 7.616 -1.198 0.00 0.00 H+0 HETATM 203 H UNK 0 4.242 7.529 -1.545 0.00 0.00 H+0 HETATM 204 H UNK 0 4.663 9.302 0.139 0.00 0.00 H+0 HETATM 205 H UNK 0 3.893 7.999 1.045 0.00 0.00 H+0 HETATM 206 H UNK 0 7.798 8.009 0.413 0.00 0.00 H+0 HETATM 207 H UNK 0 2.341 6.205 1.432 0.00 0.00 H+0 HETATM 208 H UNK 0 1.214 4.022 0.948 0.00 0.00 H+0 HETATM 209 H UNK 0 -0.506 4.869 -0.340 0.00 0.00 H+0 HETATM 210 H UNK 0 0.409 7.143 1.476 0.00 0.00 H+0 HETATM 211 H UNK 0 0.188 5.476 2.031 0.00 0.00 H+0 HETATM 212 H UNK 0 -1.203 6.279 1.265 0.00 0.00 H+0 HETATM 213 H UNK 0 0.403 6.015 -2.196 0.00 0.00 H+0 HETATM 214 H UNK 0 -0.646 7.052 -1.233 0.00 0.00 H+0 HETATM 215 H UNK 0 0.919 8.635 -1.248 0.00 0.00 H+0 HETATM 216 H UNK 0 1.965 7.605 -2.220 0.00 0.00 H+0 HETATM 217 H UNK 0 2.122 7.608 -0.447 0.00 0.00 H+0 HETATM 218 H UNK 0 0.975 1.009 -2.012 0.00 0.00 H+0 HETATM 219 H UNK 0 -1.228 2.619 -0.645 0.00 0.00 H+0 HETATM 220 H UNK 0 -0.543 2.935 -2.327 0.00 0.00 H+0 HETATM 221 H UNK 0 -1.299 1.390 -1.927 0.00 0.00 H+0 HETATM 222 H UNK 0 -4.181 0.292 3.009 0.00 0.00 H+0 HETATM 223 H UNK 0 -2.022 -0.411 4.178 0.00 0.00 H+0 HETATM 224 H UNK 0 -0.690 1.261 4.019 0.00 0.00 H+0 HETATM 225 H UNK 0 -1.650 2.678 4.632 0.00 0.00 H+0 CONECT 1 2 117 118 119 CONECT 2 1 3 120 121 CONECT 3 2 4 122 123 CONECT 4 3 5 124 125 CONECT 5 4 6 126 127 CONECT 6 5 7 128 129 CONECT 7 6 8 130 131 CONECT 8 7 9 132 133 CONECT 9 8 10 134 135 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 136 CONECT 13 12 14 24 137 CONECT 14 13 15 138 139 CONECT 15 14 16 23 CONECT 16 15 17 140 CONECT 17 16 18 141 CONECT 18 17 19 23 CONECT 19 18 20 142 CONECT 20 19 21 143 CONECT 21 20 22 144 CONECT 22 21 23 145 CONECT 23 22 15 18 CONECT 24 13 25 26 CONECT 25 24 CONECT 26 24 27 146 CONECT 27 26 28 33 147 CONECT 28 27 29 148 149 CONECT 29 28 30 150 151 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 152 CONECT 33 27 34 35 CONECT 34 33 CONECT 35 33 36 153 CONECT 36 35 37 112 154 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 155 CONECT 40 39 41 110 156 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 45 CONECT 44 43 157 158 159 CONECT 45 43 46 160 161 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 162 CONECT 49 48 50 51 163 CONECT 50 49 164 165 166 CONECT 51 49 52 53 CONECT 52 51 CONECT 53 51 54 167 CONECT 54 53 55 59 168 CONECT 55 54 56 169 170 CONECT 56 55 57 58 CONECT 57 56 CONECT 58 56 171 CONECT 59 54 60 61 CONECT 60 59 CONECT 61 59 62 172 CONECT 62 61 63 68 173 CONECT 63 62 64 174 175 CONECT 64 63 65 176 177 CONECT 65 64 66 178 179 CONECT 66 65 67 180 181 CONECT 67 66 182 183 CONECT 68 62 69 70 CONECT 69 68 CONECT 70 68 71 184 CONECT 71 70 72 78 185 CONECT 72 71 73 75 186 CONECT 73 72 74 CONECT 74 73 187 188 189 CONECT 75 72 76 77 CONECT 76 75 CONECT 77 75 190 CONECT 78 71 79 80 CONECT 79 78 CONECT 80 78 81 191 CONECT 81 80 82 192 193 CONECT 82 81 83 84 CONECT 83 82 CONECT 84 82 85 194 CONECT 85 84 86 90 195 CONECT 86 85 87 196 197 CONECT 87 86 88 89 CONECT 88 87 198 199 CONECT 89 87 CONECT 90 85 91 92 CONECT 91 90 CONECT 92 90 93 200 CONECT 93 92 94 99 201 CONECT 94 93 95 202 203 CONECT 95 94 96 204 205 CONECT 96 95 97 98 CONECT 97 96 CONECT 98 96 206 CONECT 99 93 100 101 CONECT 100 99 CONECT 101 99 102 207 CONECT 102 101 103 107 208 CONECT 103 102 104 105 209 CONECT 104 103 210 211 212 CONECT 105 103 106 213 214 CONECT 106 105 215 216 217 CONECT 107 102 108 109 CONECT 108 107 CONECT 109 107 110 CONECT 110 109 111 40 218 CONECT 111 110 219 220 221 CONECT 112 36 113 114 222 CONECT 113 112 223 CONECT 114 112 115 116 CONECT 115 114 224 225 CONECT 116 114 CONECT 117 1 CONECT 118 1 CONECT 119 1 CONECT 120 2 CONECT 121 2 CONECT 122 3 CONECT 123 3 CONECT 124 4 CONECT 125 4 CONECT 126 5 CONECT 127 5 CONECT 128 6 CONECT 129 6 CONECT 130 7 CONECT 131 7 CONECT 132 8 CONECT 133 8 CONECT 134 9 CONECT 135 9 CONECT 136 12 CONECT 137 13 CONECT 138 14 CONECT 139 14 CONECT 140 16 CONECT 141 17 CONECT 142 19 CONECT 143 20 CONECT 144 21 CONECT 145 22 CONECT 146 26 CONECT 147 27 CONECT 148 28 CONECT 149 28 CONECT 150 29 CONECT 151 29 CONECT 152 32 CONECT 153 35 CONECT 154 36 CONECT 155 39 CONECT 156 40 CONECT 157 44 CONECT 158 44 CONECT 159 44 CONECT 160 45 CONECT 161 45 CONECT 162 48 CONECT 163 49 CONECT 164 50 CONECT 165 50 CONECT 166 50 CONECT 167 53 CONECT 168 54 CONECT 169 55 CONECT 170 55 CONECT 171 58 CONECT 172 61 CONECT 173 62 CONECT 174 63 CONECT 175 63 CONECT 176 64 CONECT 177 64 CONECT 178 65 CONECT 179 65 CONECT 180 66 CONECT 181 66 CONECT 182 67 CONECT 183 67 CONECT 184 70 CONECT 185 71 CONECT 186 72 CONECT 187 74 CONECT 188 74 CONECT 189 74 CONECT 190 77 CONECT 191 80 CONECT 192 81 CONECT 193 81 CONECT 194 84 CONECT 195 85 CONECT 196 86 CONECT 197 86 CONECT 198 88 CONECT 199 88 CONECT 200 92 CONECT 201 93 CONECT 202 94 CONECT 203 94 CONECT 204 95 CONECT 205 95 CONECT 206 98 CONECT 207 101 CONECT 208 102 CONECT 209 103 CONECT 210 104 CONECT 211 104 CONECT 212 104 CONECT 213 105 CONECT 214 105 CONECT 215 106 CONECT 216 106 CONECT 217 106 CONECT 218 110 CONECT 219 111 CONECT 220 111 CONECT 221 111 CONECT 222 112 CONECT 223 113 CONECT 224 115 CONECT 225 115 MASTER 0 0 0 0 0 0 0 0 225 0 454 0 END