REMARK Name = BDB046863 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 -0.754 3.258 3.030 0.00 0.00 +0.160 C ENDROOT BRANCH 1 5 ATOM 2 N UNK A 0 2.479 1.621 3.376 0.00 0.00 -0.291 N ATOM 3 H UNK A 0 2.369 1.224 4.295 0.00 0.00 +0.151 HD ATOM 4 C UNK A 0 1.457 2.293 2.777 0.00 0.00 +0.301 C ATOM 5 N UNK A 1 0.353 2.443 3.540 0.00 0.00 -0.288 N ATOM 6 H UNK A 1 0.207 1.888 4.378 0.00 0.00 +0.151 HD ATOM 7 O UNK A 0 1.567 2.753 1.649 0.00 0.00 -0.253 OA BRANCH 2 8 ATOM 8 C UNK A 0 3.592 1.224 2.545 0.00 0.00 +0.201 C BRANCH 8 11 ATOM 9 N UNK A 0 5.712 0.100 2.462 0.00 0.00 -0.305 N ATOM 10 H UNK A 0 5.277 -0.443 1.717 0.00 0.00 +0.149 HD ATOM 11 C UNK A 0 4.882 0.843 3.269 0.00 0.00 +0.231 C ATOM 12 O UNK A 0 5.153 1.205 4.411 0.00 0.00 -0.274 OA BRANCH 9 13 ATOM 13 C UNK A 0 7.054 -0.275 2.831 0.00 0.00 +0.200 C BRANCH 13 16 ATOM 14 N UNK A 1 8.386 -2.221 3.350 0.00 0.00 -0.301 N ATOM 15 H UNK A 1 8.711 -2.196 2.394 0.00 0.00 +0.150 HD ATOM 16 C UNK A 0 7.181 -1.600 3.592 0.00 0.00 +0.231 C ATOM 17 O UNK A 0 6.353 -2.033 4.383 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C UNK A 1 8.788 -3.410 4.107 0.00 0.00 +0.187 C BRANCH 18 21 ATOM 19 N UNK A 1 8.346 -5.889 3.971 0.00 0.00 -0.300 N ATOM 20 H UNK A 1 9.312 -6.143 3.801 0.00 0.00 +0.150 HD ATOM 21 C UNK A 1 8.032 -4.630 3.515 0.00 0.00 +0.237 C ATOM 22 O UNK A 1 7.072 -4.531 2.743 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C UNK A 1 7.951 -6.295 5.336 0.00 0.00 +0.184 C BRANCH 23 26 ATOM 24 N UNK A 1 5.605 -6.259 4.525 0.00 0.00 -0.302 N ATOM 25 H UNK A 1 5.962 -5.707 3.753 0.00 0.00 +0.150 HD ATOM 26 C UNK A 1 6.475 -6.756 5.462 0.00 0.00 +0.236 C ATOM 27 O UNK A 1 6.098 -7.437 6.413 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C UNK A 1 4.165 -6.584 4.543 0.00 0.00 +0.159 C BRANCH 28 31 ATOM 29 N UNK A 1 3.974 -4.389 5.681 0.00 0.00 -0.302 N ATOM 30 H UNK A 1 4.826 -4.124 5.200 0.00 0.00 +0.150 HD ATOM 31 C UNK A 1 3.296 -5.494 5.202 0.00 0.00 +0.234 C ATOM 32 O UNK A 1 2.075 -5.623 5.322 0.00 0.00 -0.274 OA BRANCH 29 33 ATOM 33 C UNK A 1 3.305 -3.369 6.499 0.00 0.00 +0.159 C BRANCH 33 36 ATOM 34 N UNK A 1 2.952 -2.195 4.364 0.00 0.00 -0.303 N ATOM 35 H UNK A 1 3.215 -1.235 4.203 0.00 0.00 +0.149 HD ATOM 36 C UNK A 1 2.479 -2.380 5.648 0.00 0.00 +0.234 C ATOM 37 O UNK A 1 1.638 -1.611 6.122 0.00 0.00 -0.274 OA BRANCH 34 38 ATOM 38 C UNK A 1 2.167 -2.695 3.252 0.00 0.00 +0.156 C ATOM 39 C UNK A 1 0.970 -1.804 2.969 0.00 0.00 +0.038 C BRANCH 38 42 ATOM 40 N UNK A 1 2.766 -3.743 1.113 0.00 0.00 -0.300 N ATOM 41 H UNK A 1 1.890 -4.268 1.226 0.00 0.00 +0.150 HD ATOM 42 C UNK A 1 3.078 -2.758 2.019 0.00 0.00 +0.234 C ATOM 43 O UNK A 1 4.015 -1.978 1.831 0.00 0.00 -0.274 OA BRANCH 40 44 ATOM 44 C UNK A 1 3.564 -3.879 -0.094 0.00 0.00 +0.187 C BRANCH 44 47 ATOM 45 N UNK A 1 4.321 -2.479 -1.919 0.00 0.00 -0.302 N ATOM 46 H UNK A 1 5.222 -2.804 -1.573 0.00 0.00 +0.150 HD ATOM 47 C UNK A 1 3.228 -2.795 -1.139 0.00 0.00 +0.236 C ATOM 48 O UNK A 1 2.110 -2.321 -1.323 0.00 0.00 -0.274 OA BRANCH 45 49 ATOM 49 C UNK A 1 4.363 -1.386 -2.875 0.00 0.00 +0.159 C BRANCH 49 52 ATOM 50 N UNK A 1 4.024 1.048 -2.796 0.00 0.00 -0.302 N ATOM 51 H UNK A 1 3.555 0.934 -3.686 0.00 0.00 +0.150 HD ATOM 52 C UNK A 1 4.532 -0.052 -2.125 0.00 0.00 +0.234 C ATOM 53 O UNK A 1 5.096 0.032 -1.040 0.00 0.00 -0.274 OA BRANCH 50 54 ATOM 54 C UNK A 1 3.739 2.258 -2.050 0.00 0.00 +0.159 C BRANCH 54 57 ATOM 55 N UNK A 1 3.549 4.697 -2.247 0.00 0.00 -0.300 N ATOM 56 H UNK A 1 3.769 4.591 -1.264 0.00 0.00 +0.150 HD ATOM 57 C UNK A 1 3.534 3.501 -2.947 0.00 0.00 +0.234 C ATOM 58 O UNK A 1 3.248 3.423 -4.138 0.00 0.00 -0.274 OA BRANCH 55 59 ATOM 59 C UNK A 1 2.502 5.689 -2.548 0.00 0.00 +0.187 C BRANCH 59 62 ATOM 60 N UNK A 1 4.169 6.666 -4.093 0.00 0.00 -0.302 N ATOM 61 H UNK A 1 4.807 6.170 -3.478 0.00 0.00 +0.150 HD ATOM 62 C UNK A 1 2.831 6.557 -3.777 0.00 0.00 +0.236 C ATOM 63 O UNK A 1 1.972 7.275 -4.297 0.00 0.00 -0.274 OA BRANCH 60 64 ATOM 64 C UNK A 1 4.653 7.895 -4.725 0.00 0.00 +0.159 C BRANCH 64 67 ATOM 65 N UNK A 1 3.754 9.672 -3.295 0.00 0.00 -0.303 N ATOM 66 H UNK A 1 2.883 9.502 -3.812 0.00 0.00 +0.149 HD ATOM 67 C UNK A 1 4.853 8.885 -3.552 0.00 0.00 +0.234 C ATOM 68 O UNK A 1 5.846 8.874 -2.828 0.00 0.00 -0.274 OA BRANCH 65 69 ATOM 69 C UNK A 1 3.646 10.533 -2.128 0.00 0.00 +0.156 C ATOM 70 C UNK A 1 4.415 11.837 -2.324 0.00 0.00 +0.038 C BRANCH 69 74 ATOM 71 C UNK A 1 0.459 11.580 -0.312 0.00 0.00 +0.128 C ATOM 72 N UNK A 1 1.834 11.366 -0.685 0.00 0.00 -0.317 N ATOM 73 H UNK A 1 2.525 11.324 0.051 0.00 0.00 +0.148 HD ATOM 74 C UNK A 1 2.150 10.809 -1.910 0.00 0.00 +0.233 C ATOM 75 O UNK A 1 1.302 10.558 -2.767 0.00 0.00 -0.274 OA ENDBRANCH 69 74 ENDBRANCH 65 69 ENDBRANCH 64 67 BRANCH 64 76 ATOM 76 C UNK A 1 5.960 7.682 -5.482 0.00 0.00 +0.033 C BRANCH 76 77 ATOM 77 C UNK A 1 5.830 6.898 -6.793 0.00 0.00 +0.023 C BRANCH 77 78 ATOM 78 C UNK A 1 4.804 7.499 -7.754 0.00 0.00 +0.115 C BRANCH 78 79 ATOM 79 N UNK A 1 5.117 7.159 -9.134 0.00 0.00 -0.356 N ATOM 80 H UNK A 1 5.936 7.636 -9.495 0.00 0.00 +0.162 HD BRANCH 79 81 ATOM 81 C UNK A 1 5.002 5.946 -9.709 0.00 0.00 +0.188 C ATOM 82 N UNK A 1 5.827 5.608 -10.631 0.00 0.00 -0.269 NA ATOM 83 H UNK A 1 5.589 4.682 -10.986 0.00 0.00 +0.190 HD BRANCH 81 84 ATOM 84 N UNK A 1 3.986 5.174 -9.290 0.00 0.00 -0.370 N ATOM 85 H UNK A 1 3.155 5.687 -9.029 0.00 0.00 +0.159 HD ATOM 86 H UNK A 1 3.761 4.372 -9.870 0.00 0.00 +0.159 HD ENDBRANCH 81 84 ENDBRANCH 79 81 ENDBRANCH 78 79 ENDBRANCH 77 78 ENDBRANCH 76 77 ENDBRANCH 64 76 ENDBRANCH 60 64 ENDBRANCH 59 62 BRANCH 59 87 ATOM 87 C UNK A 1 2.252 6.694 -1.372 0.00 0.00 +0.141 C ATOM 88 C UNK A 1 2.161 6.040 0.008 0.00 0.00 +0.040 C BRANCH 87 89 ATOM 89 O UNK A 1 1.006 7.383 -1.537 0.00 0.00 -0.390 OA ATOM 90 H UNK A 1 0.986 7.799 -2.421 0.00 0.00 +0.210 HD ENDBRANCH 87 89 ENDBRANCH 59 87 ENDBRANCH 55 59 ENDBRANCH 54 57 BRANCH 54 91 ATOM 91 C UNK A 1 2.482 2.089 -1.165 0.00 0.00 +0.032 C BRANCH 91 92 ATOM 92 C UNK A 1 1.167 1.904 -1.952 0.00 0.00 +0.003 C BRANCH 92 93 ATOM 93 C UNK A 1 -0.051 2.068 -1.031 0.00 0.00 +0.015 C BRANCH 93 94 ATOM 94 C UNK A 1 -1.359 2.155 -1.816 0.00 0.00 +0.077 C BRANCH 94 95 ATOM 95 N UNK A 1 -2.486 2.312 -0.894 0.00 0.00 -0.330 NA ATOM 96 H UNK A 1 -3.345 2.359 -1.449 0.00 0.00 +0.118 HD ATOM 97 H UNK A 1 -2.588 1.438 -0.378 0.00 0.00 +0.118 HD ENDBRANCH 94 95 ENDBRANCH 93 94 ENDBRANCH 92 93 ENDBRANCH 91 92 ENDBRANCH 54 91 ENDBRANCH 50 54 ENDBRANCH 49 52 BRANCH 49 98 ATOM 98 C UNK A 1 5.460 -1.603 -3.931 0.00 0.00 +0.041 C BRANCH 98 99 ATOM 99 C UNK A 1 6.916 -1.610 -3.426 0.00 0.00 +0.098 C BRANCH 99 100 ATOM 100 C UNK A 1 7.321 -2.837 -2.632 0.00 0.00 +0.211 C ATOM 101 O UNK A 1 6.563 -3.752 -2.333 0.00 0.00 -0.276 OA ATOM 102 N UNK A 1 8.619 -2.845 -2.219 0.00 0.00 -0.329 N ATOM 103 H UNK A 1 8.951 -3.652 -1.709 0.00 0.00 +0.145 HD ATOM 104 H UNK A 1 9.297 -2.140 -2.481 0.00 0.00 +0.145 HD ENDBRANCH 99 100 ENDBRANCH 98 99 ENDBRANCH 49 98 ENDBRANCH 45 49 ENDBRANCH 44 47 BRANCH 44 105 ATOM 105 C UNK A 1 3.519 -5.258 -0.796 0.00 0.00 +0.141 C ATOM 106 C UNK A 1 2.211 -6.009 -0.636 0.00 0.00 +0.040 C BRANCH 105 107 ATOM 107 O UNK A 1 4.582 -6.101 -0.334 0.00 0.00 -0.390 OA ATOM 108 H UNK A 1 5.426 -5.630 -0.474 0.00 0.00 +0.210 HD ENDBRANCH 105 107 ENDBRANCH 44 105 ENDBRANCH 40 44 ENDBRANCH 38 42 ENDBRANCH 34 38 ENDBRANCH 33 36 BRANCH 33 109 ATOM 109 C UNK A 1 4.352 -2.664 7.396 0.00 0.00 +0.033 C BRANCH 109 110 ATOM 110 C UNK A 1 4.763 -1.249 6.966 0.00 0.00 +0.023 C BRANCH 110 111 ATOM 111 C UNK A 1 6.227 -0.905 7.275 0.00 0.00 +0.115 C BRANCH 111 112 ATOM 112 N UNK A 1 6.541 0.385 6.686 0.00 0.00 -0.356 N ATOM 113 H UNK A 1 5.891 0.647 5.940 0.00 0.00 +0.162 HD BRANCH 112 114 ATOM 114 C UNK A 1 7.813 0.748 6.430 0.00 0.00 +0.188 C ATOM 115 N UNK A 1 8.871 0.115 6.789 0.00 0.00 -0.269 NA ATOM 116 H UNK A 1 9.658 0.695 6.470 0.00 0.00 +0.190 HD BRANCH 114 117 ATOM 117 N UNK A 1 7.895 1.931 5.793 0.00 0.00 -0.370 N ATOM 118 H UNK A 1 7.723 2.655 6.489 0.00 0.00 +0.159 HD ATOM 119 H UNK A 1 7.079 2.061 5.186 0.00 0.00 +0.159 HD ENDBRANCH 114 117 ENDBRANCH 112 114 ENDBRANCH 111 112 ENDBRANCH 110 111 ENDBRANCH 109 110 ENDBRANCH 33 109 ENDBRANCH 29 33 ENDBRANCH 28 31 BRANCH 28 120 ATOM 120 C UNK A 1 3.714 -6.942 3.116 0.00 0.00 +0.034 C BRANCH 120 121 ATOM 121 C UNK A 1 3.963 -8.440 2.811 0.00 0.00 -0.015 C ATOM 122 C UNK A 1 2.791 -9.296 3.298 0.00 0.00 +0.007 C ATOM 123 C UNK A 1 4.205 -8.700 1.326 0.00 0.00 +0.007 C ENDBRANCH 120 121 ENDBRANCH 28 120 ENDBRANCH 24 28 ENDBRANCH 23 26 BRANCH 23 124 ATOM 124 C UNK A 1 8.884 -7.399 5.858 0.00 0.00 +0.187 C BRANCH 124 125 ATOM 125 O UNK A 1 9.302 -8.270 4.800 0.00 0.00 -0.393 OA ATOM 126 H UNK A 1 8.524 -8.774 4.508 0.00 0.00 +0.209 HD ENDBRANCH 124 125 ENDBRANCH 23 124 ENDBRANCH 19 23 ENDBRANCH 18 21 BRANCH 18 127 ATOM 127 C UNK A 1 10.326 -3.477 4.073 0.00 0.00 +0.141 C ATOM 128 C UNK A 1 10.970 -4.405 5.093 0.00 0.00 +0.040 C BRANCH 127 129 ATOM 129 O UNK A 1 10.780 -3.827 2.760 0.00 0.00 -0.390 OA ATOM 130 H UNK A 1 11.754 -3.775 2.763 0.00 0.00 +0.210 HD ENDBRANCH 127 129 ENDBRANCH 18 127 ENDBRANCH 14 18 ENDBRANCH 13 16 ENDBRANCH 9 13 ENDBRANCH 8 11 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 131 ATOM 131 C UNK A 1 -2.109 2.704 3.522 0.00 0.00 +0.234 C ATOM 132 N ALA A 2 -3.158 2.990 2.674 0.00 0.00 -0.303 N ATOM 133 H ALA A 2 -2.947 3.198 1.706 0.00 0.00 +0.149 HD ATOM 134 O UNK A 1 -2.237 2.110 4.590 0.00 0.00 -0.274 OA BRANCH 132 135 ATOM 135 CA ALA A 2 -4.567 2.718 2.985 0.00 0.00 +0.156 C ATOM 136 CB ALA A 2 -5.410 3.882 2.457 0.00 0.00 +0.038 C BRANCH 135 137 ATOM 137 C ALA A 2 -5.020 1.382 2.331 0.00 0.00 +0.236 C ATOM 138 N PRO A 3 -6.409 1.270 2.126 0.00 0.00 -0.288 N ATOM 139 CA PRO A 3 -6.889 0.273 1.162 0.00 0.00 +0.162 C ATOM 140 CB PRO A 3 -7.226 -0.910 2.044 0.00 0.00 +0.033 C ATOM 141 CG PRO A 3 -7.918 -0.211 3.213 0.00 0.00 +0.021 C ATOM 142 CD PRO A 3 -7.209 1.140 3.335 0.00 0.00 +0.109 C ATOM 143 O ALA A 2 -4.236 0.488 2.011 0.00 0.00 -0.274 OA BRANCH 139 144 ATOM 144 C PRO A 3 -5.999 0.119 -0.090 0.00 0.00 +0.234 C ATOM 145 N ARG A 4 -5.550 -1.150 -0.406 0.00 0.00 -0.302 N ATOM 146 H ARG A 4 -5.708 -1.861 0.303 0.00 0.00 +0.150 HD ATOM 147 O PRO A 3 -5.689 1.091 -0.789 0.00 0.00 -0.274 OA BRANCH 145 148 ATOM 148 CA ARG A 4 -4.239 -1.218 -1.064 0.00 0.00 +0.159 C BRANCH 148 149 ATOM 149 C ARG A 4 -4.248 -0.683 -2.520 0.00 0.00 +0.234 C ATOM 150 N LYS A 5 -5.481 -0.582 -3.139 0.00 0.00 -0.302 N ATOM 151 H LYS A 5 -6.305 -0.695 -2.562 0.00 0.00 +0.150 HD ATOM 152 O ARG A 4 -3.205 -0.433 -3.125 0.00 0.00 -0.274 OA BRANCH 150 153 ATOM 153 CA LYS A 5 -5.611 -0.008 -4.474 0.00 0.00 +0.159 C BRANCH 153 154 ATOM 154 C LYS A 5 -6.554 1.220 -4.542 0.00 0.00 +0.234 C ATOM 155 N GLN A 6 -6.933 1.824 -3.359 0.00 0.00 -0.302 N ATOM 156 H GLN A 6 -6.443 1.604 -2.487 0.00 0.00 +0.150 HD ATOM 157 O LYS A 5 -6.902 1.700 -5.629 0.00 0.00 -0.274 OA BRANCH 155 158 ATOM 158 CA GLN A 6 -7.698 3.076 -3.428 0.00 0.00 +0.159 C BRANCH 158 159 ATOM 159 C GLN A 6 -7.731 3.871 -2.093 0.00 0.00 +0.234 C ATOM 160 N LEU A 7 -7.688 5.236 -2.280 0.00 0.00 -0.301 N ATOM 161 H LEU A 7 -7.514 5.613 -3.209 0.00 0.00 +0.150 HD ATOM 162 O GLN A 6 -7.882 3.349 -0.996 0.00 0.00 -0.274 OA BRANCH 160 163 ATOM 163 CA LEU A 7 -8.204 6.208 -1.313 0.00 0.00 +0.182 C BRANCH 163 164 ATOM 164 C LEU A 7 -8.694 7.438 -2.109 0.00 0.00 +0.325 C ATOM 165 O LEU A 7 -9.224 8.443 -1.667 0.00 0.00 -0.249 OA BRANCH 164 166 ATOM 166 OXT LEU A 7 -8.415 7.356 -3.437 0.00 0.00 -0.479 OA ATOM 167 HXT LEU A 7 -8.703 8.234 -3.787 0.00 0.00 +0.295 HD ENDBRANCH 164 166 ENDBRANCH 163 164 BRANCH 163 168 ATOM 168 CB LEU A 7 -7.123 6.627 -0.304 0.00 0.00 +0.036 C BRANCH 168 169 ATOM 169 CG LEU A 7 -7.696 7.299 0.959 0.00 0.00 -0.015 C ATOM 170 CD2 LEU A 7 -6.598 7.992 1.772 0.00 0.00 +0.007 C ATOM 171 CD1 LEU A 7 -8.442 6.304 1.852 0.00 0.00 +0.007 C ENDBRANCH 168 169 ENDBRANCH 163 168 ENDBRANCH 160 163 ENDBRANCH 158 159 BRANCH 158 172 ATOM 172 CB GLN A 6 -9.158 2.815 -3.879 0.00 0.00 +0.041 C BRANCH 172 173 ATOM 173 CG GLN A 6 -9.796 4.005 -4.588 0.00 0.00 +0.098 C BRANCH 173 174 ATOM 174 CD GLN A 6 -9.775 3.962 -6.110 0.00 0.00 +0.211 C ATOM 175 OE1 GLN A 6 -10.735 4.339 -6.775 0.00 0.00 -0.276 OA ATOM 176 NE2 GLN A 6 -8.637 3.555 -6.723 0.00 0.00 -0.329 N ATOM 177 HE21 GLN A 6 -7.939 2.932 -6.298 0.00 0.00 +0.145 HD ATOM 178 HE22 GLN A 6 -8.698 3.482 -7.731 0.00 0.00 +0.145 HD ENDBRANCH 173 174 ENDBRANCH 172 173 ENDBRANCH 158 172 ENDBRANCH 155 158 ENDBRANCH 153 154 BRANCH 153 179 ATOM 179 CB LYS A 5 -6.069 -1.078 -5.488 0.00 0.00 +0.032 C BRANCH 179 180 ATOM 180 CG LYS A 5 -4.967 -2.099 -5.800 0.00 0.00 +0.003 C BRANCH 180 181 ATOM 181 CD LYS A 5 -5.430 -3.208 -6.755 0.00 0.00 +0.015 C BRANCH 181 182 ATOM 182 CE LYS A 5 -5.657 -2.722 -8.191 0.00 0.00 +0.077 C BRANCH 182 183 ATOM 183 NZ LYS A 5 -6.048 -3.838 -9.045 0.00 0.00 -0.330 NA ATOM 184 HZ1 LYS A 5 -6.093 -3.518 -10.014 0.00 0.00 +0.118 HD ATOM 185 HZ2 LYS A 5 -5.324 -4.561 -9.020 0.00 0.00 +0.118 HD ENDBRANCH 182 183 ENDBRANCH 181 182 ENDBRANCH 180 181 ENDBRANCH 179 180 ENDBRANCH 153 179 ENDBRANCH 150 153 ENDBRANCH 148 149 BRANCH 148 186 ATOM 186 CB ARG A 4 -3.666 -2.648 -1.034 0.00 0.00 +0.033 C BRANCH 186 187 ATOM 187 CG ARG A 4 -2.141 -2.659 -1.138 0.00 0.00 +0.023 C BRANCH 187 188 ATOM 188 CD ARG A 4 -1.424 -2.725 0.211 0.00 0.00 +0.115 C BRANCH 188 189 ATOM 189 NE ARG A 4 -1.228 -4.126 0.578 0.00 0.00 -0.356 N ATOM 190 HE ARG A 4 -0.576 -4.541 -0.082 0.00 0.00 +0.162 HD BRANCH 189 191 ATOM 191 CZ ARG A 4 -0.825 -4.485 1.814 0.00 0.00 +0.188 C ATOM 192 NH1 ARG A 4 0.253 -5.177 1.965 0.00 0.00 -0.269 NA ATOM 193 HH1 ARG A 4 0.372 -5.385 2.965 0.00 0.00 +0.190 HD BRANCH 191 194 ATOM 194 NH2 ARG A 4 -1.634 -4.115 2.819 0.00 0.00 -0.370 N ATOM 195 HH21 ARG A 4 -2.611 -4.130 2.552 0.00 0.00 +0.159 HD ATOM 196 HH22 ARG A 4 -1.487 -4.595 3.699 0.00 0.00 +0.159 HD ENDBRANCH 191 194 ENDBRANCH 189 191 ENDBRANCH 188 189 ENDBRANCH 187 188 ENDBRANCH 186 187 ENDBRANCH 148 186 ENDBRANCH 145 148 ENDBRANCH 139 144 ENDBRANCH 135 137 ENDBRANCH 132 135 ENDBRANCH 1 131 BRANCH 1 197 ATOM 197 C UNK A 1 -0.465 4.721 3.422 0.00 0.00 +0.032 C BRANCH 197 198 ATOM 198 C UNK A 1 -1.518 5.784 3.111 0.00 0.00 +0.004 C BRANCH 198 199 ATOM 199 C UNK A 1 -2.636 5.969 4.143 0.00 0.00 +0.019 C BRANCH 199 200 ATOM 200 C UNK A 1 -2.189 6.263 5.576 0.00 0.00 +0.104 C BRANCH 200 201 ATOM 201 N UNK A 1 -1.923 5.092 6.381 0.00 0.00 -0.315 N ATOM 202 H UNK A 1 -0.955 4.785 6.496 0.00 0.00 +0.149 HD ATOM 203 C UNK A 1 -2.919 4.227 6.821 0.00 0.00 +0.223 C ATOM 204 O UNK A 1 -4.101 4.388 6.504 0.00 0.00 -0.275 OA BRANCH 203 205 ATOM 205 C UNK A 1 -2.382 3.150 7.758 0.00 0.00 +0.164 C BRANCH 205 206 ATOM 206 S UNK A 1 -3.647 2.013 8.394 0.00 0.00 -0.150 S BRANCH 206 207 ATOM 207 C UNK A 1 -3.287 0.524 7.388 0.00 0.00 +0.088 C BRANCH 207 208 ATOM 208 C UNK A 1 -4.518 0.107 6.593 0.00 0.00 +0.115 C BRANCH 208 209 ATOM 209 N UNK A 1 -4.270 -1.073 5.769 0.00 0.00 -0.314 N ATOM 210 H UNK A 1 -3.506 -0.994 5.106 0.00 0.00 +0.149 HD ATOM 211 C UNK A 1 -5.299 -1.932 5.459 0.00 0.00 +0.215 C ATOM 212 O UNK A 1 -6.421 -1.838 5.938 0.00 0.00 -0.276 OA BRANCH 211 213 ATOM 213 C UNK A 1 -4.910 -3.050 4.502 0.00 0.00 +0.114 C BRANCH 213 214 ATOM 214 C UNK A 1 -6.108 -3.963 4.272 0.00 0.00 +0.113 C BRANCH 214 215 ATOM 215 N UNK A 1 -5.847 -5.150 3.461 0.00 0.00 -0.313 N ATOM 216 H UNK A 1 -6.192 -6.013 3.857 0.00 0.00 +0.149 HD ATOM 217 C UNK A 1 -5.809 -5.077 2.087 0.00 0.00 +0.242 C ATOM 218 O UNK A 1 -5.656 -4.026 1.467 0.00 0.00 -0.273 OA BRANCH 217 219 ATOM 219 C UNK A 1 -6.075 -6.417 1.349 0.00 0.00 +0.208 C BRANCH 219 220 ATOM 220 C UNK A 1 -4.826 -7.307 1.084 0.00 0.00 +0.024 C ATOM 221 C UNK A 1 -5.303 -8.681 0.556 0.00 0.00 +0.016 C ATOM 222 C UNK A 1 -4.032 -7.562 2.381 0.00 0.00 +0.016 C BRANCH 220 223 ATOM 223 C UNK A 1 -3.919 -6.656 0.015 0.00 0.00 +0.181 C BRANCH 223 224 ATOM 224 O UNK A 1 -2.765 -7.448 -0.234 0.00 0.00 -0.286 OA BRANCH 224 225 ATOM 225 P UNK A 1 -2.330 -7.667 -1.770 0.00 0.00 +0.483 P ATOM 226 O UNK A 1 -3.284 -8.529 -2.533 0.00 0.00 -0.227 OA BRANCH 225 227 ATOM 227 O UNK A 1 -0.853 -8.237 -1.567 0.00 0.00 -0.302 OA ATOM 228 H UNK A 1 -0.466 -7.938 -0.720 0.00 0.00 +0.222 HD ENDBRANCH 225 227 BRANCH 225 229 ATOM 229 O UNK A 1 -2.127 -6.200 -2.298 0.00 0.00 -0.186 OA BRANCH 229 230 ATOM 230 P UNK A 1 -1.371 -5.777 -3.623 0.00 0.00 +0.483 P ATOM 231 O UNK A 1 -1.299 -6.734 -4.767 0.00 0.00 -0.227 OA BRANCH 230 232 ATOM 232 O UNK A 1 0.104 -5.487 -3.060 0.00 0.00 -0.302 OA ATOM 233 H UNK A 1 0.753 -6.139 -3.409 0.00 0.00 +0.222 HD ENDBRANCH 230 232 BRANCH 230 234 ATOM 234 O UNK A 1 -1.937 -4.317 -3.953 0.00 0.00 -0.284 OA BRANCH 234 235 ATOM 235 C UNK A 1 -1.326 -3.507 -4.939 0.00 0.00 +0.206 C BRANCH 235 236 ATOM 236 C UNK A 1 -0.093 -2.805 -4.365 0.00 0.00 +0.179 C ATOM 237 C UNK A 1 1.246 -3.252 -4.951 0.00 0.00 +0.194 C ATOM 238 C UNK A 1 1.594 -2.203 -5.993 0.00 0.00 +0.196 C ATOM 239 C UNK A 1 0.736 -0.990 -5.607 0.00 0.00 +0.253 C ATOM 240 O UNK A 1 -0.180 -1.383 -4.581 0.00 0.00 -0.346 OA BRANCH 239 241 ATOM 241 N UNK A 1 -0.034 -0.411 -6.692 0.00 0.00 -0.286 N ATOM 242 C UNK A 1 -0.721 -1.073 -7.675 0.00 0.00 +0.167 A ATOM 243 C UNK A 1 -1.195 -0.082 -8.517 0.00 0.00 +0.147 A ATOM 244 C UNK A 1 -1.901 -0.505 -9.659 0.00 0.00 +0.147 A ATOM 245 N UNK A 1 -2.090 -1.826 -9.840 0.00 0.00 -0.219 NA ATOM 246 C UNK A 1 -1.590 -2.683 -8.932 0.00 0.00 +0.225 A ATOM 247 N UNK A 1 -0.863 1.173 -8.036 0.00 0.00 -0.231 NA ATOM 248 N UNK A 1 -0.881 -2.400 -7.825 0.00 0.00 -0.216 NA ATOM 249 C UNK A 1 -0.181 0.932 -6.935 0.00 0.00 +0.203 A BRANCH 244 250 ATOM 250 N UNK A 1 -2.432 0.366 -10.595 0.00 0.00 -0.341 N ATOM 251 H UNK A 1 -3.107 -0.072 -11.200 0.00 0.00 +0.144 HD ATOM 252 H UNK A 1 -2.605 1.300 -10.253 0.00 0.00 +0.144 HD ENDBRANCH 244 250 ENDBRANCH 239 241 BRANCH 238 253 ATOM 253 O UNK A 1 2.991 -1.897 -5.899 0.00 0.00 -0.385 OA ATOM 254 H UNK A 1 3.481 -2.694 -6.206 0.00 0.00 +0.210 HD ENDBRANCH 238 253 BRANCH 237 255 ATOM 255 O UNK A 1 1.194 -4.552 -5.530 0.00 0.00 -0.278 OA BRANCH 255 256 ATOM 256 P UNK A 1 2.572 -5.344 -5.706 0.00 0.00 +0.473 P ATOM 257 O UNK A 1 3.701 -4.507 -6.204 0.00 0.00 -0.228 OA BRANCH 256 258 ATOM 258 O UNK A 1 2.814 -5.974 -4.262 0.00 0.00 -0.303 OA ATOM 259 H UNK A 1 3.768 -6.179 -4.141 0.00 0.00 +0.222 HD ENDBRANCH 256 258 BRANCH 256 260 ATOM 260 O UNK A 1 2.174 -6.616 -6.562 0.00 0.00 -0.303 OA ATOM 261 H UNK A 1 1.383 -7.082 -6.233 0.00 0.00 +0.222 HD ENDBRANCH 256 260 ENDBRANCH 255 256 ENDBRANCH 237 255 ENDBRANCH 235 236 ENDBRANCH 234 235 ENDBRANCH 230 234 ENDBRANCH 229 230 ENDBRANCH 225 229 ENDBRANCH 224 225 ENDBRANCH 223 224 ENDBRANCH 220 223 ENDBRANCH 219 220 BRANCH 219 262 ATOM 262 O UNK A 1 -6.754 -6.145 0.125 0.00 0.00 -0.382 OA ATOM 263 H UNK A 1 -6.419 -5.283 -0.206 0.00 0.00 +0.210 HD ENDBRANCH 219 262 ENDBRANCH 217 219 ENDBRANCH 214 215 ENDBRANCH 213 214 ENDBRANCH 211 213 ENDBRANCH 208 209 ENDBRANCH 207 208 ENDBRANCH 206 207 ENDBRANCH 205 206 ENDBRANCH 203 205 ENDBRANCH 200 201 ENDBRANCH 199 200 ENDBRANCH 198 199 ENDBRANCH 197 198 ENDBRANCH 1 197 TORSDOF 119