REMARK Name = BDB050033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 16 -0.249 2.045 -0.906 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 16 -1.279 3.091 -1.392 0.00 0.00 +0.234 C ATOM 3 N ARG A 17 -2.562 2.628 -1.596 0.00 0.00 -0.302 N ATOM 4 H ARG A 17 -2.686 1.656 -1.882 0.00 0.00 +0.150 HD ATOM 5 O UNK A 16 -0.991 4.282 -1.495 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 CA ARG A 17 -3.665 3.575 -1.815 0.00 0.00 +0.159 C BRANCH 6 7 ATOM 7 C ARG A 17 -5.030 2.948 -1.466 0.00 0.00 +0.234 C ATOM 8 N HIS A 18 -4.968 1.954 -0.510 0.00 0.00 -0.302 N ATOM 9 H HIS A 18 -4.064 1.570 -0.272 0.00 0.00 +0.150 HD ATOM 10 O ARG A 17 -6.090 3.351 -1.930 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 CA HIS A 18 -6.160 1.206 -0.127 0.00 0.00 +0.165 C BRANCH 11 12 ATOM 12 C HIS A 18 -6.647 0.393 -1.355 0.00 0.00 +0.234 C ATOM 13 N ARG A 19 -7.925 -0.113 -1.275 0.00 0.00 -0.302 N ATOM 14 H ARG A 19 -8.595 0.388 -0.705 0.00 0.00 +0.150 HD ATOM 15 O HIS A 18 -5.893 0.104 -2.289 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 CA ARG A 19 -8.512 -0.905 -2.351 0.00 0.00 +0.159 C BRANCH 16 17 ATOM 17 C ARG A 19 -9.499 -0.007 -3.117 0.00 0.00 +0.234 C ATOM 18 N LYS A 20 -9.700 -0.187 -4.458 0.00 0.00 -0.301 N ATOM 19 H LYS A 20 -10.352 0.510 -4.806 0.00 0.00 +0.150 HD ATOM 20 O ARG A 19 -10.189 0.827 -2.526 0.00 0.00 -0.274 OA BRANCH 18 21 ATOM 21 CA LYS A 20 -8.711 -0.615 -5.468 0.00 0.00 +0.182 C BRANCH 21 22 ATOM 22 C LYS A 20 -8.380 -2.109 -5.337 0.00 0.00 +0.325 C ATOM 23 O LYS A 20 -9.143 -2.976 -4.928 0.00 0.00 -0.249 OA BRANCH 22 24 ATOM 24 OXT LYS A 20 -7.156 -2.462 -5.767 0.00 0.00 -0.479 OA ATOM 25 HXT LYS A 20 -7.119 -3.428 -5.598 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 21 22 BRANCH 21 26 ATOM 26 CB LYS A 20 -7.512 0.349 -5.498 0.00 0.00 +0.034 C BRANCH 26 27 ATOM 27 CG LYS A 20 -6.718 0.418 -6.808 0.00 0.00 +0.004 C BRANCH 27 28 ATOM 28 CD LYS A 20 -7.491 0.710 -8.099 0.00 0.00 +0.015 C BRANCH 28 29 ATOM 29 CE LYS A 20 -8.251 2.038 -8.117 0.00 0.00 +0.077 C BRANCH 29 30 ATOM 30 NZ LYS A 20 -9.523 1.954 -7.405 0.00 0.00 -0.330 NA ATOM 31 HZ1 LYS A 20 -9.958 2.878 -7.401 0.00 0.00 +0.118 HD ATOM 32 HZ2 LYS A 20 -10.159 1.354 -7.928 0.00 0.00 +0.118 HD ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 21 26 ENDBRANCH 18 21 ENDBRANCH 16 17 BRANCH 16 33 ATOM 33 CB ARG A 19 -9.255 -2.102 -1.740 0.00 0.00 +0.033 C BRANCH 33 34 ATOM 34 CG ARG A 19 -8.254 -3.111 -1.186 0.00 0.00 +0.023 C BRANCH 34 35 ATOM 35 CD ARG A 19 -8.905 -4.192 -0.331 0.00 0.00 +0.115 C BRANCH 35 36 ATOM 36 NE ARG A 19 -7.879 -5.113 0.135 0.00 0.00 -0.356 N ATOM 37 HE ARG A 19 -6.945 -4.693 0.124 0.00 0.00 +0.162 HD BRANCH 36 38 ATOM 38 CZ ARG A 19 -8.033 -5.899 1.220 0.00 0.00 +0.188 C ATOM 39 NH1 ARG A 19 -7.067 -6.078 2.047 0.00 0.00 -0.269 NA ATOM 40 HH1 ARG A 19 -7.400 -6.702 2.789 0.00 0.00 +0.190 HD BRANCH 38 41 ATOM 41 NH2 ARG A 19 -9.237 -6.490 1.345 0.00 0.00 -0.370 N ATOM 42 HH21 ARG A 19 -9.256 -7.280 1.971 0.00 0.00 +0.159 HD ATOM 43 HH22 ARG A 19 -9.637 -6.734 0.447 0.00 0.00 +0.159 HD ENDBRANCH 38 41 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 16 33 ENDBRANCH 13 16 ENDBRANCH 11 12 BRANCH 11 44 ATOM 44 CB HIS A 18 -7.200 2.109 0.562 0.00 0.00 +0.086 C BRANCH 44 45 ATOM 45 CG HIS A 18 -7.877 1.420 1.705 0.00 0.00 +0.038 A ATOM 46 ND1 HIS A 18 -7.196 1.025 2.835 0.00 0.00 -0.348 N ATOM 47 HD1 HIS A 18 -6.209 1.163 3.017 0.00 0.00 +0.166 HD ATOM 48 CE1 HIS A 18 -8.085 0.390 3.654 0.00 0.00 +0.196 A ATOM 49 NE2 HIS A 18 -9.292 0.382 3.138 0.00 0.00 -0.244 NA ATOM 50 CD2 HIS A 18 -9.174 1.022 1.933 0.00 0.00 +0.133 A ENDBRANCH 44 45 ENDBRANCH 11 44 ENDBRANCH 8 11 ENDBRANCH 6 7 BRANCH 6 51 ATOM 51 CB ARG A 17 -3.697 4.134 -3.246 0.00 0.00 +0.033 C BRANCH 51 52 ATOM 52 CG ARG A 17 -4.211 5.585 -3.271 0.00 0.00 +0.023 C BRANCH 52 53 ATOM 53 CD ARG A 17 -4.538 6.038 -4.691 0.00 0.00 +0.115 C BRANCH 53 54 ATOM 54 NE ARG A 17 -4.857 7.447 -4.717 0.00 0.00 -0.356 N ATOM 55 HE ARG A 17 -5.761 7.694 -4.329 0.00 0.00 +0.162 HD BRANCH 54 56 ATOM 56 CZ ARG A 17 -4.011 8.497 -4.676 0.00 0.00 +0.188 C ATOM 57 NH1 ARG A 17 -4.463 9.646 -4.317 0.00 0.00 -0.269 NA ATOM 58 HH1 ARG A 17 -3.715 10.341 -4.378 0.00 0.00 +0.190 HD BRANCH 56 59 ATOM 59 NH2 ARG A 17 -2.743 8.300 -5.071 0.00 0.00 -0.370 N ATOM 60 HH21 ARG A 17 -2.337 7.394 -4.824 0.00 0.00 +0.159 HD ATOM 61 HH22 ARG A 17 -2.093 9.037 -4.848 0.00 0.00 +0.159 HD ENDBRANCH 56 59 ENDBRANCH 54 56 ENDBRANCH 53 54 ENDBRANCH 52 53 ENDBRANCH 51 52 ENDBRANCH 6 51 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 63 ATOM 62 C ALA A 15 2.197 1.735 -1.237 0.00 0.00 +0.234 C ATOM 63 N UNK A 16 1.119 2.577 -1.090 0.00 0.00 -0.302 N ATOM 64 H UNK A 16 1.175 3.516 -1.479 0.00 0.00 +0.150 HD ATOM 65 O ALA A 15 2.133 0.538 -0.938 0.00 0.00 -0.274 OA BRANCH 62 66 ATOM 66 CA ALA A 15 3.516 2.365 -1.768 0.00 0.00 +0.156 C ATOM 67 CB ALA A 15 3.346 2.927 -3.169 0.00 0.00 +0.038 C BRANCH 66 69 ATOM 68 C GLY A 14 5.368 1.089 -0.683 0.00 0.00 +0.231 C ATOM 69 N ALA A 15 4.585 1.349 -1.790 0.00 0.00 -0.303 N ATOM 70 H ALA A 15 4.454 0.609 -2.467 0.00 0.00 +0.149 HD ATOM 71 O GLY A 14 5.296 1.751 0.352 0.00 0.00 -0.274 OA BRANCH 68 72 ATOM 72 CA GLY A 14 6.362 -0.060 -0.883 0.00 0.00 +0.200 C BRANCH 72 74 ATOM 73 C GLY A 13 8.338 -0.379 0.570 0.00 0.00 +0.231 C ATOM 74 N GLY A 14 6.994 -0.506 0.343 0.00 0.00 -0.305 N ATOM 75 H GLY A 14 6.407 -0.811 1.124 0.00 0.00 +0.149 HD ATOM 76 O GLY A 13 9.113 0.082 -0.267 0.00 0.00 -0.274 OA BRANCH 73 77 ATOM 77 CA GLY A 13 8.814 -0.786 1.968 0.00 0.00 +0.200 C BRANCH 77 79 ATOM 78 C LYS A 12 8.039 -3.169 2.350 0.00 0.00 +0.234 C ATOM 79 N GLY A 13 8.023 -1.824 2.613 0.00 0.00 -0.305 N ATOM 80 H GLY A 13 7.742 -1.648 3.570 0.00 0.00 +0.149 HD ATOM 81 O LYS A 12 7.679 -3.934 3.246 0.00 0.00 -0.274 OA BRANCH 78 82 ATOM 82 CA LYS A 12 8.464 -3.668 0.947 0.00 0.00 +0.159 C BRANCH 82 84 ATOM 83 C GLY A 11 10.559 -3.114 -0.399 0.00 0.00 +0.231 C ATOM 84 N LYS A 12 9.881 -3.375 0.752 0.00 0.00 -0.303 N ATOM 85 H LYS A 12 10.490 -3.446 1.563 0.00 0.00 +0.149 HD ATOM 86 O GLY A 11 11.761 -2.845 -0.316 0.00 0.00 -0.274 OA BRANCH 83 87 ATOM 87 CA GLY A 11 9.821 -3.071 -1.740 0.00 0.00 +0.200 C BRANCH 87 89 ATOM 88 C LEU A 10 9.750 -1.500 -3.645 0.00 0.00 +0.234 C ATOM 89 N GLY A 11 9.959 -1.744 -2.312 0.00 0.00 -0.305 N ATOM 90 H GLY A 11 10.165 -0.987 -1.661 0.00 0.00 +0.149 HD ATOM 91 O LEU A 10 9.334 -2.393 -4.393 0.00 0.00 -0.274 OA BRANCH 88 92 ATOM 92 CA LEU A 10 10.209 -0.101 -4.170 0.00 0.00 +0.159 C BRANCH 92 94 ATOM 93 C GLY A 9 8.604 0.328 -6.123 0.00 0.00 +0.231 C ATOM 94 N LEU A 10 9.821 0.099 -5.564 0.00 0.00 -0.303 N ATOM 95 H LEU A 10 10.569 0.305 -6.220 0.00 0.00 +0.149 HD ATOM 96 O GLY A 9 8.585 0.725 -7.294 0.00 0.00 -0.274 OA BRANCH 93 97 ATOM 97 CA GLY A 9 7.314 0.140 -5.316 0.00 0.00 +0.200 C BRANCH 97 99 ATOM 98 C LYS A 8 5.846 -1.196 -6.805 0.00 0.00 +0.234 C ATOM 99 N GLY A 9 6.204 0.013 -6.252 0.00 0.00 -0.305 N ATOM 100 H GLY A 9 6.285 0.679 -7.021 0.00 0.00 +0.149 HD ATOM 101 O LYS A 8 5.763 -1.278 -8.031 0.00 0.00 -0.274 OA BRANCH 98 102 ATOM 102 CA LYS A 8 5.685 -2.427 -5.874 0.00 0.00 +0.159 C BRANCH 102 104 ATOM 103 C GLY A 7 3.537 -1.725 -4.863 0.00 0.00 +0.231 C ATOM 104 N LYS A 8 4.832 -2.186 -4.696 0.00 0.00 -0.303 N ATOM 105 H LYS A 8 4.911 -2.896 -3.980 0.00 0.00 +0.149 HD ATOM 106 O GLY A 7 3.123 -1.229 -5.909 0.00 0.00 -0.274 OA BRANCH 103 107 ATOM 107 CA GLY A 7 2.631 -1.841 -3.631 0.00 0.00 +0.200 C BRANCH 107 109 ATOM 108 C GLY A 6 2.562 -2.427 -1.262 0.00 0.00 +0.231 C ATOM 109 N GLY A 7 3.315 -2.251 -2.409 0.00 0.00 -0.305 N ATOM 110 H GLY A 7 4.267 -1.952 -2.290 0.00 0.00 +0.149 HD ATOM 111 O GLY A 6 1.333 -2.490 -1.280 0.00 0.00 -0.274 OA BRANCH 108 112 ATOM 112 CA GLY A 6 3.372 -2.462 0.043 0.00 0.00 +0.200 C BRANCH 112 114 ATOM 113 C LYS A 5 3.906 -0.940 1.922 0.00 0.00 +0.234 C ATOM 114 N GLY A 6 3.097 -1.298 0.869 0.00 0.00 -0.305 N ATOM 115 H GLY A 6 2.347 -0.663 0.579 0.00 0.00 +0.149 HD ATOM 116 O LYS A 5 5.000 -1.475 2.100 0.00 0.00 -0.274 OA BRANCH 113 117 ATOM 117 CA LYS A 5 3.367 0.167 2.864 0.00 0.00 +0.159 C BRANCH 117 119 ATOM 118 C GLY A 4 2.879 2.603 2.710 0.00 0.00 +0.231 C ATOM 119 N LYS A 5 3.224 1.407 2.104 0.00 0.00 -0.303 N ATOM 120 H LYS A 5 3.934 1.524 1.374 0.00 0.00 +0.149 HD ATOM 121 O GLY A 4 2.271 2.679 3.775 0.00 0.00 -0.274 OA BRANCH 118 122 ATOM 122 CA GLY A 4 3.360 3.840 1.940 0.00 0.00 +0.200 C BRANCH 122 124 ATOM 123 C ARG A 3 2.841 6.167 1.499 0.00 0.00 +0.234 C ATOM 124 N GLY A 4 2.399 4.919 1.885 0.00 0.00 -0.305 N ATOM 125 H GLY A 4 1.483 4.681 1.537 0.00 0.00 +0.149 HD ATOM 126 O ARG A 3 4.026 6.477 1.426 0.00 0.00 -0.274 OA BRANCH 123 127 ATOM 127 CA ARG A 3 1.728 7.210 1.240 0.00 0.00 +0.159 C BRANCH 127 129 ATOM 128 C GLY A 2 1.142 6.353 -1.013 0.00 0.00 +0.231 C ATOM 129 N ARG A 3 0.737 6.822 0.224 0.00 0.00 -0.303 N ATOM 130 H ARG A 3 -0.088 7.416 0.195 0.00 0.00 +0.149 HD ATOM 131 O GLY A 2 2.056 5.542 -1.150 0.00 0.00 -0.274 OA BRANCH 128 132 ATOM 132 CA GLY A 2 0.349 6.908 -2.213 0.00 0.00 +0.200 C BRANCH 132 134 ATOM 133 C SER A 1 -0.054 5.745 -4.360 0.00 0.00 +0.236 C ATOM 134 N GLY A 2 0.810 6.262 -3.427 0.00 0.00 -0.305 N ATOM 135 H GLY A 2 1.775 5.948 -3.430 0.00 0.00 +0.149 HD ATOM 136 O SER A 1 -1.232 6.097 -4.440 0.00 0.00 -0.274 OA BRANCH 133 137 ATOM 137 CA SER A 1 0.576 4.760 -5.364 0.00 0.00 +0.184 C BRANCH 137 140 ATOM 138 C UNK A 0 -1.862 1.865 -5.638 0.00 0.00 +0.109 C ATOM 139 C UNK A 0 -0.693 2.667 -5.132 0.00 0.00 +0.211 C ATOM 140 N SER A 1 -0.456 3.830 -5.832 0.00 0.00 -0.302 N ATOM 141 H SER A 1 -1.258 4.253 -6.283 0.00 0.00 +0.150 HD ATOM 142 O UNK A 0 -0.020 2.300 -4.173 0.00 0.00 -0.276 OA ENDBRANCH 137 140 BRANCH 137 143 ATOM 143 CB SER A 1 1.202 5.547 -6.516 0.00 0.00 +0.187 C BRANCH 143 144 ATOM 144 OG SER A 1 2.466 6.082 -6.120 0.00 0.00 -0.393 OA ATOM 145 H SER A 1 2.855 6.498 -6.915 0.00 0.00 +0.209 HD ENDBRANCH 143 144 ENDBRANCH 137 143 ENDBRANCH 133 137 ENDBRANCH 132 134 ENDBRANCH 128 132 ENDBRANCH 127 129 BRANCH 127 146 ATOM 146 CB ARG A 3 1.005 7.528 2.562 0.00 0.00 +0.033 C BRANCH 146 147 ATOM 147 CG ARG A 3 1.942 8.168 3.595 0.00 0.00 +0.023 C BRANCH 147 148 ATOM 148 CD ARG A 3 1.258 8.420 4.940 0.00 0.00 +0.115 C BRANCH 148 149 ATOM 149 NE ARG A 3 0.199 9.401 4.808 0.00 0.00 -0.356 N ATOM 150 HE ARG A 3 0.441 10.163 4.186 0.00 0.00 +0.162 HD BRANCH 149 151 ATOM 151 CZ ARG A 3 -0.486 9.877 5.872 0.00 0.00 +0.188 C ATOM 152 NH1 ARG A 3 -0.561 9.385 7.050 0.00 0.00 -0.269 NA ATOM 153 HH1 ARG A 3 -0.047 8.508 7.082 0.00 0.00 +0.190 HD BRANCH 151 154 ATOM 154 NH2 ARG A 3 -1.130 11.022 5.572 0.00 0.00 -0.370 N ATOM 155 HH21 ARG A 3 -1.709 11.285 6.366 0.00 0.00 +0.159 HD ATOM 156 HH22 ARG A 3 -1.710 10.919 4.749 0.00 0.00 +0.159 HD ENDBRANCH 151 154 ENDBRANCH 149 151 ENDBRANCH 148 149 ENDBRANCH 147 148 ENDBRANCH 146 147 ENDBRANCH 127 146 ENDBRANCH 123 127 ENDBRANCH 122 124 ENDBRANCH 118 122 ENDBRANCH 117 119 BRANCH 117 157 ATOM 157 CB LYS A 5 2.097 -0.335 3.577 0.00 0.00 +0.032 C BRANCH 157 158 ATOM 158 CG LYS A 5 2.485 -1.199 4.787 0.00 0.00 +0.003 C BRANCH 158 159 ATOM 159 CD LYS A 5 1.260 -1.642 5.584 0.00 0.00 +0.015 C BRANCH 159 160 ATOM 160 CE LYS A 5 1.657 -2.372 6.868 0.00 0.00 +0.077 C BRANCH 160 161 ATOM 161 NZ LYS A 5 0.474 -2.792 7.615 0.00 0.00 -0.330 NA ATOM 162 HZ1 LYS A 5 -0.067 -3.444 7.047 0.00 0.00 +0.118 HD ATOM 163 HZ2 LYS A 5 -0.144 -1.990 7.744 0.00 0.00 +0.118 HD ENDBRANCH 160 161 ENDBRANCH 159 160 ENDBRANCH 158 159 ENDBRANCH 157 158 ENDBRANCH 117 157 ENDBRANCH 113 117 ENDBRANCH 112 114 ENDBRANCH 108 112 ENDBRANCH 107 109 ENDBRANCH 103 107 ENDBRANCH 102 104 BRANCH 102 164 ATOM 164 CB LYS A 8 5.246 -3.674 -6.663 0.00 0.00 +0.032 C BRANCH 164 165 ATOM 165 CG LYS A 8 5.146 -4.973 -5.849 0.00 0.00 +0.003 C BRANCH 165 166 ATOM 166 CD LYS A 8 6.342 -5.291 -4.942 0.00 0.00 +0.015 C BRANCH 166 167 ATOM 167 CE LYS A 8 7.646 -5.514 -5.707 0.00 0.00 +0.077 C BRANCH 167 168 ATOM 168 NZ LYS A 8 8.764 -5.514 -4.761 0.00 0.00 -0.330 NA ATOM 169 HZ1 LYS A 8 8.985 -4.533 -4.537 0.00 0.00 +0.118 HD ATOM 170 HZ2 LYS A 8 9.596 -5.843 -5.249 0.00 0.00 +0.118 HD ENDBRANCH 167 168 ENDBRANCH 166 167 ENDBRANCH 165 166 ENDBRANCH 164 165 ENDBRANCH 102 164 ENDBRANCH 98 102 ENDBRANCH 97 99 ENDBRANCH 93 97 ENDBRANCH 92 94 BRANCH 92 171 ATOM 171 CB LEU A 10 9.902 1.108 -3.272 0.00 0.00 +0.034 C BRANCH 171 172 ATOM 172 CG LEU A 10 10.623 2.418 -3.670 0.00 0.00 -0.015 C ATOM 173 CD2 LEU A 10 9.844 3.236 -4.699 0.00 0.00 +0.007 C ATOM 174 CD1 LEU A 10 10.850 3.283 -2.424 0.00 0.00 +0.007 C ENDBRANCH 171 172 ENDBRANCH 92 171 ENDBRANCH 88 92 ENDBRANCH 87 89 ENDBRANCH 83 87 ENDBRANCH 82 84 BRANCH 82 175 ATOM 175 CB LYS A 12 8.223 -5.175 0.768 0.00 0.00 +0.032 C BRANCH 175 176 ATOM 176 CG LYS A 12 6.739 -5.518 0.602 0.00 0.00 +0.003 C BRANCH 176 177 ATOM 177 CD LYS A 12 6.533 -7.033 0.579 0.00 0.00 +0.015 C BRANCH 177 178 ATOM 178 CE LYS A 12 5.049 -7.393 0.586 0.00 0.00 +0.077 C BRANCH 178 179 ATOM 179 NZ LYS A 12 4.854 -8.838 0.535 0.00 0.00 -0.330 NA ATOM 180 HZ1 LYS A 12 5.546 -9.300 1.131 0.00 0.00 +0.118 HD ATOM 181 HZ2 LYS A 12 5.059 -9.179 -0.406 0.00 0.00 +0.118 HD ENDBRANCH 178 179 ENDBRANCH 177 178 ENDBRANCH 176 177 ENDBRANCH 175 176 ENDBRANCH 82 175 ENDBRANCH 78 82 ENDBRANCH 77 79 ENDBRANCH 73 77 ENDBRANCH 72 74 ENDBRANCH 68 72 ENDBRANCH 66 69 ENDBRANCH 62 66 ENDBRANCH 1 63 BRANCH 1 182 ATOM 182 C UNK A 16 -0.479 1.573 0.554 0.00 0.00 +0.032 C BRANCH 182 183 ATOM 183 C UNK A 16 -1.454 2.364 1.449 0.00 0.00 +0.004 C BRANCH 183 184 ATOM 184 C UNK A 16 -1.035 3.808 1.735 0.00 0.00 +0.019 C BRANCH 184 185 ATOM 185 C UNK A 16 -2.224 4.732 2.004 0.00 0.00 +0.104 C BRANCH 185 186 ATOM 186 N UNK A 16 -2.711 4.635 3.363 0.00 0.00 -0.315 N ATOM 187 H UNK A 16 -2.004 4.784 4.087 0.00 0.00 +0.149 HD ATOM 188 C UNK A 16 -3.970 5.118 3.682 0.00 0.00 +0.223 C ATOM 189 O UNK A 16 -4.841 5.334 2.844 0.00 0.00 -0.275 OA BRANCH 188 190 ATOM 190 C UNK A 16 -4.207 5.295 5.174 0.00 0.00 +0.164 C BRANCH 190 191 ATOM 191 S UNK A 16 -3.206 6.674 5.808 0.00 0.00 -0.150 S BRANCH 191 192 ATOM 192 C UNK A 16 -3.023 6.159 7.550 0.00 0.00 +0.088 C BRANCH 192 193 ATOM 193 C UNK A 16 -1.716 5.415 7.857 0.00 0.00 +0.115 C BRANCH 193 194 ATOM 194 N UNK A 16 -1.715 4.001 7.492 0.00 0.00 -0.314 N ATOM 195 H UNK A 16 -1.769 3.333 8.251 0.00 0.00 +0.149 HD ATOM 196 C UNK A 16 -1.260 3.560 6.270 0.00 0.00 +0.215 C ATOM 197 O UNK A 16 -0.926 4.325 5.366 0.00 0.00 -0.276 OA BRANCH 196 198 ATOM 198 C UNK A 16 -1.216 2.055 6.101 0.00 0.00 +0.114 C BRANCH 198 199 ATOM 199 C UNK A 16 -2.594 1.408 6.222 0.00 0.00 +0.113 C BRANCH 199 200 ATOM 200 N UNK A 16 -3.362 1.451 4.984 0.00 0.00 -0.313 N ATOM 201 H UNK A 16 -3.762 2.337 4.703 0.00 0.00 +0.149 HD ATOM 202 C UNK A 16 -3.642 0.436 4.110 0.00 0.00 +0.242 C ATOM 203 O UNK A 16 -4.387 0.686 3.163 0.00 0.00 -0.273 OA BRANCH 202 204 ATOM 204 C UNK A 16 -2.988 -0.948 4.351 0.00 0.00 +0.208 C BRANCH 204 205 ATOM 205 C UNK A 16 -3.295 -2.072 3.314 0.00 0.00 +0.024 C ATOM 206 C UNK A 16 -2.447 -3.319 3.674 0.00 0.00 +0.016 C ATOM 207 C UNK A 16 -4.778 -2.482 3.391 0.00 0.00 +0.016 C BRANCH 205 208 ATOM 208 C UNK A 16 -2.946 -1.630 1.875 0.00 0.00 +0.181 C BRANCH 208 209 ATOM 209 O UNK A 16 -3.049 -2.712 0.961 0.00 0.00 -0.286 OA BRANCH 209 210 ATOM 210 P UNK A 16 -2.238 -2.541 -0.417 0.00 0.00 +0.483 P ATOM 211 O UNK A 16 -2.414 -1.228 -1.114 0.00 0.00 -0.227 OA BRANCH 210 212 ATOM 212 O UNK A 16 -0.741 -2.751 0.118 0.00 0.00 -0.302 OA ATOM 213 H UNK A 16 -0.065 -2.598 -0.589 0.00 0.00 +0.222 HD ENDBRANCH 210 212 BRANCH 210 214 ATOM 214 O UNK A 16 -2.492 -3.879 -1.224 0.00 0.00 -0.186 OA BRANCH 214 215 ATOM 215 P UNK A 16 -3.896 -4.600 -1.380 0.00 0.00 +0.483 P ATOM 216 O UNK A 16 -5.133 -3.831 -1.053 0.00 0.00 -0.227 OA BRANCH 215 217 ATOM 217 O UNK A 16 -3.888 -5.117 -2.895 0.00 0.00 -0.302 OA ATOM 218 H UNK A 16 -4.722 -5.584 -3.105 0.00 0.00 +0.222 HD ENDBRANCH 215 217 BRANCH 215 219 ATOM 219 O UNK A 16 -3.729 -5.988 -0.593 0.00 0.00 -0.284 OA BRANCH 219 220 ATOM 220 C UNK A 16 -3.708 -5.913 0.827 0.00 0.00 +0.206 C BRANCH 220 221 ATOM 221 C UNK A 16 -4.153 -7.244 1.441 0.00 0.00 +0.179 C ATOM 222 C UNK A 16 -4.233 -7.139 2.966 0.00 0.00 +0.194 C ATOM 223 C UNK A 16 -2.880 -7.666 3.417 0.00 0.00 +0.196 C ATOM 224 C UNK A 16 -2.585 -8.725 2.352 0.00 0.00 +0.253 C ATOM 225 O UNK A 16 -3.171 -8.261 1.126 0.00 0.00 -0.346 OA BRANCH 224 226 ATOM 226 N UNK A 16 -1.158 -8.923 2.160 0.00 0.00 -0.286 N ATOM 227 C UNK A 16 -0.304 -9.395 3.120 0.00 0.00 +0.167 A ATOM 228 C UNK A 16 0.944 -9.395 2.520 0.00 0.00 +0.147 A ATOM 229 C UNK A 16 2.011 -9.870 3.301 0.00 0.00 +0.147 A ATOM 230 N UNK A 16 1.756 -10.246 4.579 0.00 0.00 -0.219 NA ATOM 231 C UNK A 16 0.487 -10.202 5.025 0.00 0.00 +0.225 A ATOM 232 N UNK A 16 0.862 -8.904 1.233 0.00 0.00 -0.231 NA ATOM 233 N UNK A 16 -0.616 -9.778 4.370 0.00 0.00 -0.216 NA ATOM 234 C UNK A 16 -0.412 -8.632 1.055 0.00 0.00 +0.203 A BRANCH 229 235 ATOM 235 N UNK A 16 3.313 -9.962 2.852 0.00 0.00 -0.341 N ATOM 236 H UNK A 16 3.542 -9.440 2.002 0.00 0.00 +0.144 HD ATOM 237 H UNK A 16 4.001 -10.027 3.586 0.00 0.00 +0.144 HD ENDBRANCH 229 235 ENDBRANCH 224 226 BRANCH 223 238 ATOM 238 O UNK A 16 -2.902 -8.175 4.761 0.00 0.00 -0.385 OA ATOM 239 H UNK A 16 -2.036 -8.623 4.893 0.00 0.00 +0.210 HD ENDBRANCH 223 238 BRANCH 222 240 ATOM 240 O UNK A 16 -5.277 -7.973 3.461 0.00 0.00 -0.278 OA BRANCH 240 241 ATOM 241 P UNK A 16 -5.772 -7.639 4.949 0.00 0.00 +0.473 P ATOM 242 O UNK A 16 -5.374 -6.323 5.531 0.00 0.00 -0.228 OA BRANCH 241 243 ATOM 243 O UNK A 16 -7.348 -7.889 4.872 0.00 0.00 -0.303 OA ATOM 244 H UNK A 16 -7.758 -7.640 5.719 0.00 0.00 +0.222 HD ENDBRANCH 241 243 BRANCH 241 245 ATOM 245 O UNK A 16 -5.255 -8.902 5.775 0.00 0.00 -0.303 OA ATOM 246 H UNK A 16 -4.273 -8.847 5.778 0.00 0.00 +0.222 HD ENDBRANCH 241 245 ENDBRANCH 240 241 ENDBRANCH 222 240 ENDBRANCH 220 221 ENDBRANCH 219 220 ENDBRANCH 215 219 ENDBRANCH 214 215 ENDBRANCH 210 214 ENDBRANCH 209 210 ENDBRANCH 208 209 ENDBRANCH 205 208 ENDBRANCH 204 205 BRANCH 204 247 ATOM 247 O UNK A 16 -1.573 -0.766 4.471 0.00 0.00 -0.382 OA ATOM 248 H UNK A 16 -1.257 -0.307 3.671 0.00 0.00 +0.210 HD ENDBRANCH 204 247 ENDBRANCH 202 204 ENDBRANCH 199 200 ENDBRANCH 198 199 ENDBRANCH 196 198 ENDBRANCH 193 194 ENDBRANCH 192 193 ENDBRANCH 191 192 ENDBRANCH 190 191 ENDBRANCH 188 190 ENDBRANCH 185 186 ENDBRANCH 184 185 ENDBRANCH 183 184 ENDBRANCH 182 183 ENDBRANCH 1 182 TORSDOF 118