REMARK Name = BDB050032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 12 6.726 -2.312 3.318 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C GLY A 11 8.431 -0.679 2.456 0.00 0.00 +0.231 C ATOM 3 N UNK A 12 7.429 -1.596 2.260 0.00 0.00 -0.303 N ATOM 4 H UNK A 12 7.045 -1.647 1.314 0.00 0.00 +0.149 HD ATOM 5 O GLY A 11 8.945 -0.431 3.544 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA GLY A 11 8.851 0.083 1.193 0.00 0.00 +0.200 C BRANCH 6 8 ATOM 7 C LEU A 10 9.239 -1.054 -0.959 0.00 0.00 +0.234 C ATOM 8 N GLY A 11 8.377 -0.416 -0.086 0.00 0.00 -0.305 N ATOM 9 H GLY A 11 7.458 -0.139 -0.436 0.00 0.00 +0.149 HD ATOM 10 O LEU A 10 10.232 -1.659 -0.565 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 CA LEU A 10 9.054 -0.634 -2.449 0.00 0.00 +0.159 C BRANCH 11 13 ATOM 12 C GLY A 9 7.056 -1.681 -3.453 0.00 0.00 +0.231 C ATOM 13 N LEU A 10 7.646 -0.586 -2.868 0.00 0.00 -0.303 N ATOM 14 H LEU A 10 7.089 0.237 -2.633 0.00 0.00 +0.149 HD ATOM 15 O GLY A 9 7.559 -2.798 -3.508 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 CA GLY A 9 5.695 -1.404 -4.119 0.00 0.00 +0.200 C BRANCH 16 18 ATOM 17 C LYS A 8 4.105 -2.711 -5.529 0.00 0.00 +0.234 C ATOM 18 N GLY A 9 5.125 -2.668 -4.611 0.00 0.00 -0.305 N ATOM 19 H GLY A 9 5.712 -3.486 -4.468 0.00 0.00 +0.149 HD ATOM 20 O LYS A 8 3.492 -1.700 -5.900 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 CA LYS A 8 3.628 -4.127 -5.911 0.00 0.00 +0.159 C BRANCH 21 23 ATOM 22 C GLY A 7 2.063 -5.275 -4.354 0.00 0.00 +0.231 C ATOM 23 N LYS A 8 2.295 -4.314 -5.308 0.00 0.00 -0.303 N ATOM 24 H LYS A 8 1.592 -3.628 -5.554 0.00 0.00 +0.149 HD ATOM 25 O GLY A 7 2.904 -6.128 -4.066 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 CA GLY A 7 0.664 -5.245 -3.704 0.00 0.00 +0.200 C BRANCH 26 28 ATOM 27 C GLY A 6 0.617 -6.145 -1.337 0.00 0.00 +0.231 C ATOM 28 N GLY A 7 0.620 -6.306 -2.699 0.00 0.00 -0.305 N ATOM 29 H GLY A 7 1.280 -7.060 -2.907 0.00 0.00 +0.149 HD ATOM 30 O GLY A 6 1.271 -6.941 -0.652 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 CA GLY A 6 -0.199 -5.027 -0.698 0.00 0.00 +0.200 C BRANCH 31 33 ATOM 32 C LYS A 5 0.382 -3.408 1.102 0.00 0.00 +0.234 C ATOM 33 N GLY A 6 0.519 -4.644 0.513 0.00 0.00 -0.305 N ATOM 34 H GLY A 6 1.070 -5.385 0.953 0.00 0.00 +0.149 HD ATOM 35 O LYS A 5 -0.432 -2.582 0.700 0.00 0.00 -0.274 OA BRANCH 32 36 ATOM 36 CA LYS A 5 1.411 -3.146 2.229 0.00 0.00 +0.159 C BRANCH 36 38 ATOM 37 C GLY A 4 1.647 -0.642 2.005 0.00 0.00 +0.231 C ATOM 38 N LYS A 5 2.181 -1.925 1.992 0.00 0.00 -0.303 N ATOM 39 H LYS A 5 3.146 -1.959 2.336 0.00 0.00 +0.149 HD ATOM 40 O GLY A 4 0.504 -0.334 2.324 0.00 0.00 -0.274 OA BRANCH 37 41 ATOM 41 CA GLY A 4 2.679 0.433 1.593 0.00 0.00 +0.200 C BRANCH 41 43 ATOM 42 C ARG A 3 4.986 0.406 0.436 0.00 0.00 +0.234 C ATOM 43 N GLY A 4 3.867 -0.137 0.971 0.00 0.00 -0.305 N ATOM 44 H GLY A 4 3.686 -1.049 0.572 0.00 0.00 +0.149 HD ATOM 45 O ARG A 3 5.703 -0.355 -0.233 0.00 0.00 -0.274 OA BRANCH 42 46 ATOM 46 CA ARG A 3 5.323 1.907 0.499 0.00 0.00 +0.159 C BRANCH 46 48 ATOM 47 C GLY A 2 4.707 2.459 -1.827 0.00 0.00 +0.231 C ATOM 48 N ARG A 3 4.460 2.570 -0.470 0.00 0.00 -0.303 N ATOM 49 H ARG A 3 3.504 2.784 -0.171 0.00 0.00 +0.149 HD ATOM 50 O GLY A 2 5.723 1.937 -2.315 0.00 0.00 -0.274 OA BRANCH 47 51 ATOM 51 CA GLY A 2 3.581 3.021 -2.694 0.00 0.00 +0.200 C BRANCH 51 53 ATOM 52 C SER A 1 2.600 2.215 -4.816 0.00 0.00 +0.236 C ATOM 53 N GLY A 2 3.713 2.537 -4.066 0.00 0.00 -0.305 N ATOM 54 H GLY A 2 4.660 2.413 -4.424 0.00 0.00 +0.149 HD ATOM 55 O SER A 1 1.465 2.279 -4.332 0.00 0.00 -0.274 OA BRANCH 52 56 ATOM 56 CA SER A 1 2.895 1.749 -6.254 0.00 0.00 +0.184 C BRANCH 56 59 ATOM 57 C UNK A 0 -0.501 0.584 -7.522 0.00 0.00 +0.109 C ATOM 58 C UNK A 0 0.616 1.557 -7.255 0.00 0.00 +0.211 C ATOM 59 N SER A 1 1.772 0.974 -6.790 0.00 0.00 -0.302 N ATOM 60 H SER A 1 1.799 -0.025 -6.607 0.00 0.00 +0.150 HD ATOM 61 O UNK A 0 0.491 2.763 -7.445 0.00 0.00 -0.276 OA ENDBRANCH 56 59 BRANCH 56 62 ATOM 62 CB SER A 1 3.352 2.937 -7.100 0.00 0.00 +0.187 C BRANCH 62 63 ATOM 63 OG SER A 1 3.488 2.536 -8.473 0.00 0.00 -0.393 OA ATOM 64 H SER A 1 2.577 2.544 -8.834 0.00 0.00 +0.209 HD ENDBRANCH 62 63 ENDBRANCH 56 62 ENDBRANCH 52 56 ENDBRANCH 51 53 ENDBRANCH 47 51 ENDBRANCH 46 48 BRANCH 46 65 ATOM 65 CB ARG A 3 5.279 2.537 1.885 0.00 0.00 +0.033 C BRANCH 65 66 ATOM 66 CG ARG A 3 5.718 3.995 1.852 0.00 0.00 +0.023 C BRANCH 66 67 ATOM 67 CD ARG A 3 5.906 4.571 3.253 0.00 0.00 +0.115 C BRANCH 67 68 ATOM 68 NE ARG A 3 5.754 6.023 3.221 0.00 0.00 -0.356 N ATOM 69 HE ARG A 3 5.249 6.387 4.024 0.00 0.00 +0.162 HD BRANCH 68 70 ATOM 70 CZ ARG A 3 6.720 6.819 2.704 0.00 0.00 +0.188 C ATOM 71 NH1 ARG A 3 7.782 6.390 2.132 0.00 0.00 -0.269 NA ATOM 72 HH1 ARG A 3 8.341 7.194 1.823 0.00 0.00 +0.190 HD BRANCH 70 73 ATOM 73 NH2 ARG A 3 6.377 8.123 2.790 0.00 0.00 -0.370 N ATOM 74 HH21 ARG A 3 5.374 8.286 2.796 0.00 0.00 +0.159 HD ATOM 75 HH22 ARG A 3 6.827 8.729 2.111 0.00 0.00 +0.159 HD ENDBRANCH 70 73 ENDBRANCH 68 70 ENDBRANCH 67 68 ENDBRANCH 66 67 ENDBRANCH 65 66 ENDBRANCH 46 65 ENDBRANCH 42 46 ENDBRANCH 41 43 ENDBRANCH 37 41 ENDBRANCH 36 38 BRANCH 36 76 ATOM 76 CB LYS A 5 0.787 -3.221 3.622 0.00 0.00 +0.032 C BRANCH 76 77 ATOM 77 CG LYS A 5 0.445 -4.665 4.016 0.00 0.00 +0.003 C BRANCH 77 78 ATOM 78 CD LYS A 5 -0.072 -4.745 5.448 0.00 0.00 +0.015 C BRANCH 78 79 ATOM 79 CE LYS A 5 -0.390 -6.188 5.842 0.00 0.00 +0.077 C BRANCH 79 80 ATOM 80 NZ LYS A 5 -0.924 -6.228 7.204 0.00 0.00 -0.330 NA ATOM 81 HZ1 LYS A 5 -1.216 -7.183 7.407 0.00 0.00 +0.118 HD ATOM 82 HZ2 LYS A 5 -1.763 -5.652 7.243 0.00 0.00 +0.118 HD ENDBRANCH 79 80 ENDBRANCH 78 79 ENDBRANCH 77 78 ENDBRANCH 76 77 ENDBRANCH 36 76 ENDBRANCH 32 36 ENDBRANCH 31 33 ENDBRANCH 27 31 ENDBRANCH 26 28 ENDBRANCH 22 26 ENDBRANCH 21 23 BRANCH 21 83 ATOM 83 CB LYS A 8 3.573 -4.260 -7.437 0.00 0.00 +0.032 C BRANCH 83 84 ATOM 84 CG LYS A 8 3.313 -5.684 -7.943 0.00 0.00 +0.003 C BRANCH 84 85 ATOM 85 CD LYS A 8 4.395 -6.719 -7.600 0.00 0.00 +0.015 C BRANCH 85 86 ATOM 86 CE LYS A 8 5.800 -6.301 -8.033 0.00 0.00 +0.077 C BRANCH 86 87 ATOM 87 NZ LYS A 8 6.746 -7.390 -7.841 0.00 0.00 -0.330 NA ATOM 88 HZ1 LYS A 8 7.686 -6.993 -7.816 0.00 0.00 +0.118 HD ATOM 89 HZ2 LYS A 8 6.734 -7.995 -8.671 0.00 0.00 +0.118 HD ENDBRANCH 86 87 ENDBRANCH 85 86 ENDBRANCH 84 85 ENDBRANCH 83 84 ENDBRANCH 21 83 ENDBRANCH 17 21 ENDBRANCH 16 18 ENDBRANCH 12 16 ENDBRANCH 11 13 BRANCH 11 90 ATOM 90 CB LEU A 10 9.688 0.771 -2.611 0.00 0.00 +0.034 C BRANCH 90 91 ATOM 91 CG LEU A 10 11.151 0.824 -3.120 0.00 0.00 -0.015 C ATOM 92 CD2 LEU A 10 11.714 2.227 -2.871 0.00 0.00 +0.007 C ATOM 93 CD1 LEU A 10 12.091 -0.219 -2.531 0.00 0.00 +0.007 C ENDBRANCH 90 91 ENDBRANCH 11 90 ENDBRANCH 7 11 ENDBRANCH 6 8 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 94 ATOM 94 C UNK A 12 5.577 -1.426 3.836 0.00 0.00 +0.234 C ATOM 95 N GLY A 13 5.901 -0.370 4.664 0.00 0.00 -0.305 N ATOM 96 H GLY A 13 6.787 -0.396 5.153 0.00 0.00 +0.149 HD ATOM 97 O UNK A 12 4.430 -1.578 3.405 0.00 0.00 -0.274 OA BRANCH 95 98 ATOM 98 CA GLY A 13 4.880 0.568 5.096 0.00 0.00 +0.200 C BRANCH 98 99 ATOM 99 C GLY A 13 3.935 0.042 6.181 0.00 0.00 +0.231 C ATOM 100 N GLY A 14 2.709 0.678 6.216 0.00 0.00 -0.305 N ATOM 101 H GLY A 14 2.374 1.197 5.400 0.00 0.00 +0.149 HD ATOM 102 O GLY A 13 4.295 -0.800 7.012 0.00 0.00 -0.274 OA BRANCH 100 103 ATOM 103 CA GLY A 14 1.730 0.371 7.232 0.00 0.00 +0.200 C BRANCH 103 104 ATOM 104 C GLY A 14 0.487 -0.330 6.662 0.00 0.00 +0.231 C ATOM 105 N ALA A 15 -0.623 0.480 6.498 0.00 0.00 -0.303 N ATOM 106 H ALA A 15 -0.623 1.420 6.880 0.00 0.00 +0.149 HD ATOM 107 O GLY A 14 0.491 -1.508 6.322 0.00 0.00 -0.274 OA BRANCH 105 108 ATOM 108 CA ALA A 15 -1.914 -0.100 6.125 0.00 0.00 +0.156 C ATOM 109 CB ALA A 15 -2.538 -0.814 7.318 0.00 0.00 +0.038 C BRANCH 108 110 ATOM 110 C ALA A 15 -2.870 1.029 5.709 0.00 0.00 +0.234 C ATOM 111 N LYS A 16 -4.034 0.648 5.092 0.00 0.00 -0.302 N ATOM 112 H LYS A 16 -4.250 -0.346 5.017 0.00 0.00 +0.150 HD ATOM 113 O ALA A 15 -2.608 2.213 5.972 0.00 0.00 -0.274 OA BRANCH 111 114 ATOM 114 CA LYS A 16 -5.195 1.542 4.954 0.00 0.00 +0.159 C BRANCH 114 115 ATOM 115 C LYS A 16 -6.409 0.647 4.570 0.00 0.00 +0.234 C ATOM 116 N ARG A 17 -7.444 1.269 3.899 0.00 0.00 -0.302 N ATOM 117 H ARG A 17 -7.472 2.278 3.908 0.00 0.00 +0.150 HD ATOM 118 O LYS A 16 -6.425 -0.565 4.832 0.00 0.00 -0.274 OA BRANCH 116 119 ATOM 119 CA ARG A 17 -8.616 0.556 3.401 0.00 0.00 +0.159 C BRANCH 119 120 ATOM 120 C ARG A 17 -8.243 -0.571 2.395 0.00 0.00 +0.234 C ATOM 121 N HIS A 18 -9.309 -1.385 2.053 0.00 0.00 -0.302 N ATOM 122 H HIS A 18 -10.230 -0.987 2.236 0.00 0.00 +0.150 HD ATOM 123 O ARG A 17 -7.107 -0.721 1.941 0.00 0.00 -0.274 OA BRANCH 121 124 ATOM 124 CA HIS A 18 -9.286 -2.286 0.888 0.00 0.00 +0.165 C BRANCH 124 125 ATOM 125 C HIS A 18 -9.664 -1.377 -0.297 0.00 0.00 +0.234 C ATOM 126 N ARG A 19 -8.852 -1.072 -1.340 0.00 0.00 -0.302 N ATOM 127 H ARG A 19 -9.375 -0.475 -1.963 0.00 0.00 +0.150 HD ATOM 128 O HIS A 18 -10.731 -0.740 -0.228 0.00 0.00 -0.274 OA BRANCH 126 129 ATOM 129 CA ARG A 19 -7.648 -1.670 -1.948 0.00 0.00 +0.159 C BRANCH 129 130 ATOM 130 C ARG A 19 -8.075 -2.628 -3.103 0.00 0.00 +0.234 C ATOM 131 N LYS A 20 -7.054 -3.112 -3.894 0.00 0.00 -0.301 N ATOM 132 H LYS A 20 -6.120 -2.756 -3.760 0.00 0.00 +0.150 HD ATOM 133 O ARG A 19 -9.231 -3.008 -3.295 0.00 0.00 -0.274 OA BRANCH 131 134 ATOM 134 CA LYS A 20 -7.283 -4.208 -4.819 0.00 0.00 +0.182 C BRANCH 134 135 ATOM 135 C LYS A 20 -7.579 -5.474 -3.993 0.00 0.00 +0.325 C ATOM 136 O LYS A 20 -6.728 -6.236 -3.545 0.00 0.00 -0.249 OA BRANCH 135 137 ATOM 137 OXT LYS A 20 -8.886 -5.606 -3.687 0.00 0.00 -0.479 OA ATOM 138 HXT LYS A 20 -9.395 -4.758 -3.740 0.00 0.00 +0.295 HD ENDBRANCH 135 137 ENDBRANCH 134 135 BRANCH 134 139 ATOM 139 CB LYS A 20 -6.042 -4.490 -5.692 0.00 0.00 +0.034 C BRANCH 139 140 ATOM 140 CG LYS A 20 -5.372 -3.279 -6.337 0.00 0.00 +0.004 C BRANCH 140 141 ATOM 141 CD LYS A 20 -6.307 -2.361 -7.127 0.00 0.00 +0.015 C BRANCH 141 142 ATOM 142 CE LYS A 20 -5.549 -1.177 -7.740 0.00 0.00 +0.077 C BRANCH 142 143 ATOM 143 NZ LYS A 20 -4.730 -1.577 -8.882 0.00 0.00 -0.330 NA ATOM 144 HZ1 LYS A 20 -5.362 -1.788 -9.668 0.00 0.00 +0.118 HD ATOM 145 HZ2 LYS A 20 -4.239 -2.452 -8.703 0.00 0.00 +0.118 HD ENDBRANCH 142 143 ENDBRANCH 141 142 ENDBRANCH 140 141 ENDBRANCH 139 140 ENDBRANCH 134 139 ENDBRANCH 131 134 ENDBRANCH 129 130 BRANCH 129 146 ATOM 146 CB ARG A 19 -6.673 -2.314 -0.960 0.00 0.00 +0.033 C BRANCH 146 147 ATOM 147 CG ARG A 19 -5.212 -2.432 -1.413 0.00 0.00 +0.023 C BRANCH 147 148 ATOM 148 CD ARG A 19 -4.296 -2.805 -0.245 0.00 0.00 +0.115 C BRANCH 148 149 ATOM 149 NE ARG A 19 -4.638 -4.145 0.249 0.00 0.00 -0.356 N ATOM 150 HE ARG A 19 -4.227 -4.814 -0.409 0.00 0.00 +0.162 HD BRANCH 149 151 ATOM 151 CZ ARG A 19 -4.212 -4.538 1.474 0.00 0.00 +0.188 C ATOM 152 NH1 ARG A 19 -3.264 -5.386 1.620 0.00 0.00 -0.269 NA ATOM 153 HH1 ARG A 19 -3.154 -5.578 2.622 0.00 0.00 +0.190 HD BRANCH 151 154 ATOM 154 NH2 ARG A 19 -4.889 -3.966 2.489 0.00 0.00 -0.370 N ATOM 155 HH21 ARG A 19 -5.454 -3.142 2.257 0.00 0.00 +0.159 HD ATOM 156 HH22 ARG A 19 -4.451 -3.919 3.397 0.00 0.00 +0.159 HD ENDBRANCH 151 154 ENDBRANCH 149 151 ENDBRANCH 148 149 ENDBRANCH 147 148 ENDBRANCH 146 147 ENDBRANCH 129 146 ENDBRANCH 126 129 ENDBRANCH 124 125 BRANCH 124 157 ATOM 157 CB HIS A 18 -10.357 -3.363 1.122 0.00 0.00 +0.086 C BRANCH 157 158 ATOM 158 CG HIS A 18 -10.650 -4.255 -0.024 0.00 0.00 +0.038 A ATOM 159 ND1 HIS A 18 -9.908 -5.368 -0.345 0.00 0.00 -0.348 N ATOM 160 HD1 HIS A 18 -9.057 -5.690 0.101 0.00 0.00 +0.166 HD ATOM 161 CE1 HIS A 18 -10.552 -6.008 -1.360 0.00 0.00 +0.196 A ATOM 162 NE2 HIS A 18 -11.624 -5.345 -1.754 0.00 0.00 -0.244 NA ATOM 163 CD2 HIS A 18 -11.694 -4.254 -0.935 0.00 0.00 +0.133 A ENDBRANCH 157 158 ENDBRANCH 124 157 ENDBRANCH 121 124 ENDBRANCH 119 120 BRANCH 119 164 ATOM 164 CB ARG A 17 -9.514 1.560 2.648 0.00 0.00 +0.033 C BRANCH 164 165 ATOM 165 CG ARG A 17 -10.486 2.337 3.561 0.00 0.00 +0.023 C BRANCH 165 166 ATOM 166 CD ARG A 17 -10.215 3.836 3.632 0.00 0.00 +0.115 C BRANCH 166 167 ATOM 167 NE ARG A 17 -10.190 4.425 2.277 0.00 0.00 -0.356 N ATOM 168 HE ARG A 17 -9.239 4.805 2.200 0.00 0.00 +0.162 HD BRANCH 167 169 ATOM 169 CZ ARG A 17 -11.036 5.463 2.066 0.00 0.00 +0.188 C ATOM 170 NH1 ARG A 17 -10.774 6.622 2.559 0.00 0.00 -0.269 NA ATOM 171 HH1 ARG A 17 -11.513 7.264 2.274 0.00 0.00 +0.190 HD BRANCH 169 172 ATOM 172 NH2 ARG A 17 -12.113 5.130 1.337 0.00 0.00 -0.370 N ATOM 173 HH21 ARG A 17 -11.970 4.330 0.730 0.00 0.00 +0.159 HD ATOM 174 HH22 ARG A 17 -12.608 5.886 0.874 0.00 0.00 +0.159 HD ENDBRANCH 169 172 ENDBRANCH 167 169 ENDBRANCH 166 167 ENDBRANCH 165 166 ENDBRANCH 164 165 ENDBRANCH 119 164 ENDBRANCH 116 119 ENDBRANCH 114 115 BRANCH 114 175 ATOM 175 CB LYS A 16 -4.919 2.695 3.966 0.00 0.00 +0.032 C BRANCH 175 176 ATOM 176 CG LYS A 16 -5.474 4.021 4.518 0.00 0.00 +0.003 C BRANCH 176 177 ATOM 177 CD LYS A 16 -5.420 5.131 3.466 0.00 0.00 +0.015 C BRANCH 177 178 ATOM 178 CE LYS A 16 -6.054 6.412 3.994 0.00 0.00 +0.077 C BRANCH 178 179 ATOM 179 NZ LYS A 16 -6.055 7.439 2.957 0.00 0.00 -0.330 NA ATOM 180 HZ1 LYS A 16 -6.650 7.145 2.174 0.00 0.00 +0.118 HD ATOM 181 HZ2 LYS A 16 -6.516 8.277 3.337 0.00 0.00 +0.118 HD ENDBRANCH 178 179 ENDBRANCH 177 178 ENDBRANCH 176 177 ENDBRANCH 175 176 ENDBRANCH 114 175 ENDBRANCH 111 114 ENDBRANCH 108 110 ENDBRANCH 105 108 ENDBRANCH 103 104 ENDBRANCH 100 103 ENDBRANCH 98 99 ENDBRANCH 95 98 ENDBRANCH 1 94 BRANCH 1 182 ATOM 182 C UNK A 12 7.570 -2.881 4.465 0.00 0.00 +0.032 C BRANCH 182 183 ATOM 183 C UNK A 12 8.623 -3.910 4.024 0.00 0.00 +0.004 C BRANCH 183 184 ATOM 184 C UNK A 12 8.034 -5.284 3.724 0.00 0.00 +0.019 C BRANCH 184 185 ATOM 185 C UNK A 12 7.980 -5.599 2.233 0.00 0.00 +0.104 C BRANCH 185 186 ATOM 186 N UNK A 12 7.337 -6.879 2.017 0.00 0.00 -0.315 N ATOM 187 H UNK A 12 7.562 -7.633 2.652 0.00 0.00 +0.149 HD ATOM 188 C UNK A 12 6.677 -7.320 0.907 0.00 0.00 +0.223 C ATOM 189 O UNK A 12 6.404 -8.516 0.807 0.00 0.00 -0.275 OA BRANCH 188 190 ATOM 190 C UNK A 12 6.292 -6.328 -0.190 0.00 0.00 +0.164 C BRANCH 190 191 ATOM 191 S UNK A 12 4.915 -5.268 0.372 0.00 0.00 -0.150 S BRANCH 191 192 ATOM 192 C UNK A 12 4.319 -4.680 -1.238 0.00 0.00 +0.088 C BRANCH 192 193 ATOM 193 C UNK A 12 3.694 -3.297 -1.046 0.00 0.00 +0.115 C BRANCH 193 194 ATOM 194 N UNK A 12 2.967 -2.799 -2.201 0.00 0.00 -0.314 N ATOM 195 H UNK A 12 3.381 -3.014 -3.099 0.00 0.00 +0.149 HD ATOM 196 C UNK A 12 2.231 -1.638 -2.098 0.00 0.00 +0.215 C ATOM 197 O UNK A 12 2.082 -1.032 -1.042 0.00 0.00 -0.276 OA BRANCH 196 198 ATOM 198 C UNK A 12 1.608 -1.161 -3.389 0.00 0.00 +0.114 C BRANCH 198 199 ATOM 199 C UNK A 12 0.128 -0.844 -3.234 0.00 0.00 +0.113 C BRANCH 199 200 ATOM 200 N UNK A 12 -0.148 0.497 -2.761 0.00 0.00 -0.313 N ATOM 201 H UNK A 12 0.398 1.266 -3.152 0.00 0.00 +0.149 HD ATOM 202 C UNK A 12 -1.436 0.827 -2.361 0.00 0.00 +0.242 C ATOM 203 O UNK A 12 -2.338 0.003 -2.297 0.00 0.00 -0.273 OA BRANCH 202 204 ATOM 204 C UNK A 12 -1.578 2.307 -1.937 0.00 0.00 +0.208 C BRANCH 204 205 ATOM 205 C UNK A 12 -3.037 2.775 -1.590 0.00 0.00 +0.024 C ATOM 206 C UNK A 12 -4.028 2.414 -2.713 0.00 0.00 +0.016 C ATOM 207 C UNK A 12 -3.515 2.160 -0.256 0.00 0.00 +0.016 C BRANCH 205 208 ATOM 208 C UNK A 12 -2.990 4.322 -1.440 0.00 0.00 +0.181 C BRANCH 208 209 ATOM 209 O UNK A 12 -4.252 4.846 -1.021 0.00 0.00 -0.286 OA BRANCH 209 210 ATOM 210 P UNK A 12 -4.311 6.379 -0.507 0.00 0.00 +0.483 P ATOM 211 O UNK A 12 -5.697 6.876 -0.254 0.00 0.00 -0.227 OA BRANCH 210 212 ATOM 212 O UNK A 12 -3.550 7.157 -1.674 0.00 0.00 -0.302 OA ATOM 213 H UNK A 12 -3.579 8.130 -1.592 0.00 0.00 +0.222 HD ENDBRANCH 210 212 BRANCH 210 214 ATOM 214 O UNK A 12 -3.335 6.402 0.730 0.00 0.00 -0.186 OA BRANCH 214 215 ATOM 215 P UNK A 12 -2.699 7.643 1.463 0.00 0.00 +0.483 P ATOM 216 O UNK A 12 -1.757 8.459 0.641 0.00 0.00 -0.227 OA BRANCH 215 217 ATOM 217 O UNK A 12 -3.939 8.520 1.930 0.00 0.00 -0.302 OA ATOM 218 H UNK A 12 -4.693 8.025 2.335 0.00 0.00 +0.222 HD ENDBRANCH 215 217 BRANCH 215 219 ATOM 219 O UNK A 12 -2.137 7.059 2.849 0.00 0.00 -0.284 OA BRANCH 219 220 ATOM 220 C UNK A 12 -0.768 6.636 2.906 0.00 0.00 +0.206 C BRANCH 220 221 ATOM 221 C UNK A 12 -0.420 5.627 1.803 0.00 0.00 +0.179 C ATOM 222 C UNK A 12 0.656 4.596 2.158 0.00 0.00 +0.194 C ATOM 223 C UNK A 12 1.669 4.718 1.031 0.00 0.00 +0.196 C ATOM 224 C UNK A 12 0.978 5.559 -0.039 0.00 0.00 +0.253 C ATOM 225 O UNK A 12 0.082 6.388 0.691 0.00 0.00 -0.346 OA BRANCH 224 226 ATOM 226 N UNK A 12 1.863 6.379 -0.857 0.00 0.00 -0.286 N ATOM 227 C UNK A 12 1.473 7.290 -1.801 0.00 0.00 +0.167 A ATOM 228 C UNK A 12 2.647 7.652 -2.450 0.00 0.00 +0.147 A ATOM 229 C UNK A 12 2.519 8.552 -3.519 0.00 0.00 +0.147 A ATOM 230 N UNK A 12 1.300 9.062 -3.801 0.00 0.00 -0.219 NA ATOM 231 C UNK A 12 0.246 8.634 -3.046 0.00 0.00 +0.225 A ATOM 232 N UNK A 12 3.741 7.002 -1.912 0.00 0.00 -0.231 NA ATOM 233 N UNK A 12 0.232 7.746 -2.043 0.00 0.00 -0.216 NA ATOM 234 C UNK A 12 3.232 6.257 -0.948 0.00 0.00 +0.203 A BRANCH 229 235 ATOM 235 N UNK A 12 3.611 8.996 -4.265 0.00 0.00 -0.341 N ATOM 236 H UNK A 12 3.451 9.928 -4.635 0.00 0.00 +0.144 HD ATOM 237 H UNK A 12 4.493 8.829 -3.797 0.00 0.00 +0.144 HD ENDBRANCH 229 235 ENDBRANCH 224 226 BRANCH 223 238 ATOM 238 O UNK A 12 2.058 3.454 0.489 0.00 0.00 -0.385 OA ATOM 239 H UNK A 12 1.220 2.925 0.482 0.00 0.00 +0.210 HD ENDBRANCH 223 238 BRANCH 222 240 ATOM 240 O UNK A 12 0.086 3.283 2.143 0.00 0.00 -0.278 OA BRANCH 240 241 ATOM 241 P UNK A 12 -0.056 2.563 3.579 0.00 0.00 +0.473 P ATOM 242 O UNK A 12 1.213 2.169 4.251 0.00 0.00 -0.228 OA BRANCH 241 243 ATOM 243 O UNK A 12 -1.081 1.391 3.236 0.00 0.00 -0.303 OA ATOM 244 H UNK A 12 -0.629 0.580 2.871 0.00 0.00 +0.222 HD ENDBRANCH 241 243 BRANCH 241 245 ATOM 245 O UNK A 12 -1.003 3.569 4.372 0.00 0.00 -0.303 OA ATOM 246 H UNK A 12 -1.646 3.091 4.965 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 12 -0.680 2.571 -0.836 0.00 0.00 -0.382 OA ATOM 248 H UNK A 12 -0.844 1.838 -0.201 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