REMARK Name = BDB060482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N UNK A 0 0.632 -3.813 -3.713 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 2 ATOM 2 S UNK A 0 0.582 -4.903 -5.014 0.00 0.00 +0.061 S ATOM 3 O UNK A 0 0.442 -4.152 -6.243 0.00 0.00 -0.153 OA ATOM 4 O UNK A 0 1.644 -5.873 -4.849 0.00 0.00 -0.153 OA BRANCH 2 8 ATOM 5 C UNK A 0 -3.372 -7.100 -4.313 0.00 0.00 +0.120 A ATOM 6 C UNK A 0 -2.202 -7.558 -3.701 0.00 0.00 +0.047 A ATOM 7 C UNK A 0 -0.991 -6.893 -3.916 0.00 0.00 +0.032 A ATOM 8 C UNK A 0 -0.955 -5.754 -4.725 0.00 0.00 +0.106 A ATOM 9 C UNK A 0 -2.113 -5.317 -5.367 0.00 0.00 +0.032 A ATOM 10 C UNK A 0 -3.320 -5.983 -5.151 0.00 0.00 +0.047 A BRANCH 5 12 ATOM 11 C UNK A 0 -4.711 -8.861 -3.447 0.00 0.00 +0.277 C ATOM 12 O UNK A 0 -4.617 -7.652 -4.187 0.00 0.00 -0.495 OA ENDBRANCH 5 12 ENDBRANCH 2 8 ENDBRANCH 1 2 BRANCH 1 13 ATOM 13 C UNK A 0 0.965 -4.352 -2.354 0.00 0.00 +0.132 C BRANCH 13 14 ATOM 14 C UNK A 0 2.416 -4.079 -1.839 0.00 0.00 +0.093 C BRANCH 14 15 ATOM 15 N UNK A 0 2.578 -4.475 -0.432 0.00 0.00 -0.309 N ATOM 16 H UNK A 0 3.527 -4.708 -0.150 0.00 0.00 +0.149 HD ATOM 17 C UNK A 0 1.917 -3.787 0.580 0.00 0.00 +0.234 C ATOM 18 O UNK A 0 0.924 -3.098 0.401 0.00 0.00 -0.274 OA BRANCH 17 19 ATOM 19 C UNK A 0 2.576 -4.012 1.972 0.00 0.00 +0.159 C BRANCH 19 20 ATOM 20 N UNK A 0 4.016 -3.721 1.842 0.00 0.00 -0.303 N ATOM 21 H UNK A 0 4.632 -4.199 2.493 0.00 0.00 +0.149 HD ATOM 22 C UNK A 0 4.424 -2.448 1.476 0.00 0.00 +0.229 C ATOM 23 O UNK A 0 3.629 -1.579 1.120 0.00 0.00 -0.274 OA BRANCH 22 24 ATOM 24 C UNK A 0 5.931 -2.220 1.468 0.00 0.00 +0.204 C BRANCH 24 25 ATOM 25 N UNK A 0 6.224 -0.941 2.162 0.00 0.00 -0.171 NA BRANCH 25 26 ATOM 26 S UNK A 0 6.635 -1.097 3.779 0.00 0.00 +0.029 S ATOM 27 O UNK A 0 5.759 -2.115 4.335 0.00 0.00 -0.158 OA ATOM 28 O UNK A 0 8.073 -1.256 3.848 0.00 0.00 -0.158 OA ATOM 29 C UNK A 0 6.178 0.482 4.466 0.00 0.00 +0.215 C ENDBRANCH 25 26 BRANCH 25 30 ATOM 30 C UNK A 0 6.938 0.060 1.317 0.00 0.00 +0.132 C BRANCH 30 31 ATOM 31 C UNK A 0 5.898 0.912 0.529 0.00 0.00 +0.093 C BRANCH 31 32 ATOM 32 N UNK A 0 5.385 2.037 1.323 0.00 0.00 -0.309 N ATOM 33 H UNK A 0 4.407 2.033 1.593 0.00 0.00 +0.149 HD ATOM 34 C UNK A 0 6.166 3.087 1.744 0.00 0.00 +0.236 C ATOM 35 O UNK A 0 7.369 3.150 1.480 0.00 0.00 -0.274 OA BRANCH 34 36 ATOM 36 C UNK A 0 5.451 4.243 2.462 0.00 0.00 +0.187 C BRANCH 36 37 ATOM 37 N UNK A 0 4.174 3.887 3.070 0.00 0.00 -0.302 N ATOM 38 H UNK A 0 3.329 4.050 2.520 0.00 0.00 +0.150 HD ATOM 39 C UNK A 0 4.035 3.608 4.401 0.00 0.00 +0.211 C ATOM 40 O UNK A 0 4.969 3.344 5.146 0.00 0.00 -0.276 OA ATOM 41 C UNK A 0 2.604 3.651 4.854 0.00 0.00 +0.109 C ENDBRANCH 36 37 BRANCH 36 42 ATOM 42 C UNK A 0 5.280 5.425 1.472 0.00 0.00 +0.141 C ATOM 43 C UNK A 0 5.109 6.748 2.214 0.00 0.00 +0.040 C BRANCH 42 44 ATOM 44 O UNK A 0 4.128 5.225 0.634 0.00 0.00 -0.390 OA ATOM 45 H UNK A 0 4.065 6.010 0.055 0.00 0.00 +0.210 HD ENDBRANCH 42 44 ENDBRANCH 36 42 ENDBRANCH 34 36 ENDBRANCH 31 32 BRANCH 31 46 ATOM 46 C UNK A 0 6.458 1.333 -0.852 0.00 0.00 +0.058 C BRANCH 46 47 ATOM 47 C UNK A 0 5.370 1.773 -1.808 0.00 0.00 -0.046 A ATOM 48 C UNK A 0 5.041 3.127 -1.943 0.00 0.00 +0.004 A ATOM 49 C UNK A 0 4.022 3.525 -2.812 0.00 0.00 +0.000 A ATOM 50 C UNK A 0 3.325 2.572 -3.554 0.00 0.00 +0.000 A ATOM 51 C UNK A 0 3.645 1.222 -3.429 0.00 0.00 +0.000 A ATOM 52 C UNK A 0 4.655 0.824 -2.552 0.00 0.00 +0.004 A ENDBRANCH 46 47 ENDBRANCH 31 46 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 19 20 BRANCH 19 53 ATOM 53 C UNK A 0 1.931 -3.211 3.116 0.00 0.00 +0.043 C BRANCH 53 54 ATOM 54 C UNK A 0 0.765 -3.943 3.786 0.00 0.00 +0.123 C BRANCH 54 55 ATOM 55 C UNK A 0 -0.365 -4.182 2.828 0.00 0.00 +0.305 C ATOM 56 O UNK A 0 -0.503 -5.196 2.161 0.00 0.00 -0.251 OA BRANCH 55 57 ATOM 57 O UNK A 0 -1.179 -3.115 2.714 0.00 0.00 -0.481 OA ATOM 58 H UNK A 0 -1.636 -3.252 1.837 0.00 0.00 +0.295 HD ENDBRANCH 55 57 ENDBRANCH 54 55 ENDBRANCH 53 54 ENDBRANCH 19 53 ENDBRANCH 17 19 ENDBRANCH 14 15 BRANCH 14 59 ATOM 59 C UNK A 0 3.482 -4.785 -2.712 0.00 0.00 +0.058 C BRANCH 59 60 ATOM 60 C UNK A 0 4.916 -4.477 -2.326 0.00 0.00 -0.046 A ATOM 61 C UNK A 0 5.535 -3.310 -2.793 0.00 0.00 +0.004 A ATOM 62 C UNK A 0 6.866 -3.038 -2.468 0.00 0.00 +0.000 A ATOM 63 C UNK A 0 7.591 -3.919 -1.666 0.00 0.00 +0.000 A ATOM 64 C UNK A 0 6.985 -5.075 -1.184 0.00 0.00 +0.000 A ATOM 65 C UNK A 0 5.654 -5.356 -1.521 0.00 0.00 +0.004 A ENDBRANCH 59 60 ENDBRANCH 14 59 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 1 66 ATOM 66 C UNK A 0 1.115 -2.434 -3.977 0.00 0.00 +0.205 C BRANCH 66 67 ATOM 67 C UNK A 0 0.271 -1.533 -4.864 0.00 0.00 +0.229 C ATOM 68 N UNK A 0 -1.075 -1.831 -4.928 0.00 0.00 -0.303 N ATOM 69 H UNK A 0 -1.430 -2.479 -4.232 0.00 0.00 +0.149 HD ATOM 70 O UNK A 0 0.756 -0.541 -5.404 0.00 0.00 -0.274 OA BRANCH 68 71 ATOM 71 C UNK A 0 -1.997 -0.983 -5.697 0.00 0.00 +0.156 C ATOM 72 C UNK A 0 -3.096 -1.824 -6.328 0.00 0.00 +0.038 C BRANCH 71 73 ATOM 73 C UNK A 0 -2.664 0.118 -4.852 0.00 0.00 +0.233 C ATOM 74 N UNK A 0 -2.713 -0.136 -3.494 0.00 0.00 -0.310 N ATOM 75 H UNK A 0 -1.953 -0.721 -3.142 0.00 0.00 +0.149 HD ATOM 76 O UNK A 0 -3.236 1.078 -5.365 0.00 0.00 -0.274 OA BRANCH 74 77 ATOM 77 C UNK A 0 -3.295 0.826 -2.563 0.00 0.00 +0.089 C BRANCH 77 78 ATOM 78 C UNK A 0 -4.836 0.766 -2.604 0.00 0.00 +0.023 C BRANCH 78 79 ATOM 79 C UNK A 0 -5.516 1.847 -1.761 0.00 0.00 +0.003 C BRANCH 79 80 ATOM 80 C UNK A 0 -7.048 1.740 -1.827 0.00 0.00 +0.015 C BRANCH 80 81 ATOM 81 C UNK A 0 -7.756 2.716 -0.881 0.00 0.00 +0.077 C BRANCH 81 82 ATOM 82 N UNK A 0 -7.543 4.115 -1.244 0.00 0.00 -0.330 NA ATOM 83 H UNK A 0 -6.532 4.311 -1.228 0.00 0.00 +0.118 HD ATOM 84 H UNK A 0 -7.939 4.700 -0.508 0.00 0.00 +0.118 HD ENDBRANCH 81 82 ENDBRANCH 80 81 ENDBRANCH 79 80 ENDBRANCH 78 79 ENDBRANCH 77 78 BRANCH 77 85 ATOM 85 C UNK A 0 -2.701 0.662 -1.146 0.00 0.00 +0.131 C BRANCH 85 86 ATOM 86 N UNK A 0 -3.191 -0.539 -0.388 0.00 0.00 -0.171 NA BRANCH 86 87 ATOM 87 S UNK A 0 -2.566 -2.061 -0.795 0.00 0.00 +0.033 S ATOM 88 O UNK A 0 -2.325 -2.806 0.426 0.00 0.00 -0.158 OA ATOM 89 O UNK A 0 -1.526 -1.878 -1.793 0.00 0.00 -0.158 OA BRANCH 87 90 ATOM 90 C UNK A 0 -3.927 -2.866 -1.645 0.00 0.00 +0.188 C BRANCH 90 91 ATOM 91 C UNK A 0 -5.072 -3.375 -0.762 0.00 0.00 +0.005 C ATOM 92 C UNK A 0 -6.115 -2.294 -0.469 0.00 0.00 +0.009 C ATOM 93 C UNK A 0 -5.768 -4.551 -1.464 0.00 0.00 +0.009 C ENDBRANCH 90 91 ENDBRANCH 87 90 ENDBRANCH 86 87 BRANCH 86 94 ATOM 94 C UNK A 0 -3.371 -0.277 1.070 0.00 0.00 +0.204 C BRANCH 94 95 ATOM 95 C UNK A 0 -2.178 0.308 1.829 0.00 0.00 +0.229 C ATOM 96 N LEU A 1 -2.392 0.438 3.185 0.00 0.00 -0.303 N ATOM 97 H LEU A 1 -3.163 -0.074 3.599 0.00 0.00 +0.149 HD ATOM 98 O UNK A 0 -1.165 0.741 1.285 0.00 0.00 -0.274 OA BRANCH 96 99 ATOM 99 CA LEU A 1 -1.420 1.003 4.135 0.00 0.00 +0.159 C BRANCH 99 100 ATOM 100 C LEU A 1 -1.251 2.525 3.902 0.00 0.00 +0.234 C ATOM 101 N UNK A 2 -0.499 2.895 2.810 0.00 0.00 -0.307 N ATOM 102 H UNK A 2 -0.304 2.161 2.125 0.00 0.00 +0.149 HD ATOM 103 O LEU A 1 -1.845 3.345 4.604 0.00 0.00 -0.274 OA BRANCH 101 104 ATOM 104 C UNK A 2 -0.451 4.289 2.324 0.00 0.00 +0.114 C BRANCH 104 105 ATOM 105 C UNK A 2 0.561 4.434 1.168 0.00 0.00 +0.179 C BRANCH 105 106 ATOM 106 O UNK A 2 1.869 3.999 1.547 0.00 0.00 -0.393 OA ATOM 107 H UNK A 2 2.457 4.272 0.807 0.00 0.00 +0.209 HD ENDBRANCH 105 106 ENDBRANCH 104 105 BRANCH 104 108 ATOM 108 C UNK A 2 -1.859 4.736 1.872 0.00 0.00 +0.134 C BRANCH 108 109 ATOM 109 N UNK A 2 -1.909 6.059 1.207 0.00 0.00 -0.171 NA BRANCH 109 110 ATOM 110 S UNK A 2 -1.888 7.463 2.144 0.00 0.00 +0.029 S ATOM 111 O UNK A 2 -1.993 8.594 1.244 0.00 0.00 -0.158 OA ATOM 112 O UNK A 2 -0.813 7.354 3.107 0.00 0.00 -0.158 OA ATOM 113 C UNK A 2 -3.427 7.365 3.038 0.00 0.00 +0.215 C ENDBRANCH 109 110 BRANCH 109 114 ATOM 114 C UNK A 2 -2.711 6.101 -0.042 0.00 0.00 +0.204 C BRANCH 114 115 ATOM 115 C UNK A 2 -1.903 6.609 -1.231 0.00 0.00 +0.229 C ATOM 116 N UNK A 2 -2.536 6.806 -2.435 0.00 0.00 -0.303 N ATOM 117 H UNK A 2 -1.844 7.167 -3.085 0.00 0.00 +0.149 HD ATOM 118 O UNK A 2 -0.687 6.822 -1.183 0.00 0.00 -0.274 OA BRANCH 116 119 ATOM 119 C UNK A 2 -3.897 7.339 -2.615 0.00 0.00 +0.156 C ATOM 120 C UNK A 2 -4.017 7.878 -4.045 0.00 0.00 +0.038 C BRANCH 119 121 ATOM 121 C UNK A 2 -5.017 6.300 -2.331 0.00 0.00 +0.231 C ATOM 122 O UNK A 2 -4.843 5.257 -1.706 0.00 0.00 -0.274 OA ATOM 123 N UNK A 2 -6.291 6.630 -2.691 0.00 0.00 -0.328 N ATOM 124 H UNK A 2 -6.527 7.374 -3.332 0.00 0.00 +0.145 HD ATOM 125 H UNK A 2 -7.001 5.912 -2.550 0.00 0.00 +0.145 HD ENDBRANCH 119 121 ENDBRANCH 116 119 ENDBRANCH 114 115 ENDBRANCH 109 114 ENDBRANCH 108 109 ENDBRANCH 104 108 ENDBRANCH 101 104 ENDBRANCH 99 100 BRANCH 99 126 ATOM 126 CB LEU A 1 -0.104 0.222 4.220 0.00 0.00 +0.034 C BRANCH 126 127 ATOM 127 CG LEU A 1 0.666 0.464 5.534 0.00 0.00 -0.015 C ATOM 128 CD2 LEU A 1 -0.035 -0.166 6.739 0.00 0.00 +0.007 C ATOM 129 CD1 LEU A 1 2.085 -0.096 5.427 0.00 0.00 +0.007 C ENDBRANCH 126 127 ENDBRANCH 99 126 ENDBRANCH 96 99 ENDBRANCH 94 95 ENDBRANCH 86 94 ENDBRANCH 85 86 ENDBRANCH 77 85 ENDBRANCH 74 77 ENDBRANCH 71 73 ENDBRANCH 68 71 ENDBRANCH 66 67 ENDBRANCH 1 66 TORSDOF 57