REMARK Name = BDB064170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 10 -3.132 0.139 -0.428 0.00 0.00 +0.159 C ATOM 2 C UNK A 10 -3.890 -0.143 0.901 0.00 0.00 +0.236 C ATOM 3 O UNK A 10 -4.970 0.449 1.049 0.00 0.00 -0.274 OA ATOM 4 N UNK A 1 -3.368 -0.896 1.948 0.00 0.00 -0.291 N ATOM 5 C UNK A 1 -3.875 -0.536 3.269 0.00 0.00 +0.133 C ATOM 6 C UNK A 1 -2.482 -2.112 1.907 0.00 0.00 +0.162 C ATOM 7 C UNK A 1 -0.985 -1.707 1.755 0.00 0.00 +0.237 C ATOM 8 O UNK A 1 -0.680 -0.506 1.731 0.00 0.00 -0.274 OA ATOM 9 N PRO A 2 0.036 -2.625 1.844 0.00 0.00 -0.288 N ATOM 10 CA PRO A 2 0.095 -4.013 1.379 0.00 0.00 +0.162 C ATOM 11 CB PRO A 2 1.279 -4.558 2.165 0.00 0.00 +0.033 C ATOM 12 CG PRO A 2 2.241 -3.381 2.300 0.00 0.00 +0.021 C ATOM 13 C PRO A 2 0.216 -4.038 -0.179 0.00 0.00 +0.234 C ATOM 14 O PRO A 2 -0.292 -3.175 -0.895 0.00 0.00 -0.274 OA ATOM 15 N UNK A 3 0.715 -5.170 -0.780 0.00 0.00 -0.302 N ATOM 16 H UNK A 3 0.322 -5.158 -1.726 0.00 0.00 +0.150 HD ATOM 17 C UNK A 3 2.175 -5.243 -0.977 0.00 0.00 +0.161 C ATOM 18 C UNK A 3 2.531 -4.699 -2.390 0.00 0.00 +0.236 C ATOM 19 O UNK A 3 1.683 -4.806 -3.287 0.00 0.00 -0.274 OA ATOM 20 N ALA A 4 3.822 -4.219 -2.640 0.00 0.00 -0.292 N ATOM 21 C ACE A 0 4.065 -3.676 -3.977 0.00 0.00 +0.133 C ATOM 22 CA ALA A 4 4.744 -3.771 -1.563 0.00 0.00 +0.158 C ATOM 23 CB ALA A 4 6.219 -3.920 -1.938 0.00 0.00 +0.038 C ATOM 24 C ALA A 4 4.303 -2.353 -1.113 0.00 0.00 +0.234 C ATOM 25 O ALA A 4 3.139 -2.131 -0.780 0.00 0.00 -0.274 OA ATOM 26 N UNK A 5 5.239 -1.353 -1.126 0.00 0.00 -0.302 N ATOM 27 H UNK A 5 6.227 -1.590 -1.078 0.00 0.00 +0.150 HD ATOM 28 C UNK A 5 4.937 -0.023 -0.578 0.00 0.00 +0.165 C ATOM 29 C UNK A 5 6.053 0.932 -1.054 0.00 0.00 +0.237 C ATOM 30 O UNK A 5 7.178 0.462 -1.267 0.00 0.00 -0.274 OA ATOM 31 N ALA A 6 5.783 2.298 -1.181 0.00 0.00 -0.292 N ATOM 32 C ACE A 0 6.880 3.135 -1.667 0.00 0.00 +0.133 C ATOM 33 CA ALA A 6 4.408 2.900 -1.141 0.00 0.00 +0.159 C ATOM 34 CB ALA A 6 3.724 2.683 -2.497 0.00 0.00 +0.038 C ATOM 35 C ALA A 6 4.295 4.423 -0.784 0.00 0.00 +0.236 C ATOM 36 O ALA A 6 5.215 5.202 -1.055 0.00 0.00 -0.274 OA ATOM 37 N ALA A 7 3.123 4.918 -0.208 0.00 0.00 -0.292 N ATOM 38 C ACE A 0 3.014 6.369 -0.058 0.00 0.00 +0.133 C ATOM 39 CA ALA A 7 1.924 4.125 0.187 0.00 0.00 +0.158 C ATOM 40 CB ALA A 7 1.919 3.943 1.699 0.00 0.00 +0.038 C ATOM 41 C ALA A 7 0.685 4.634 -0.607 0.00 0.00 +0.234 C ATOM 42 O ALA A 7 0.654 4.460 -1.833 0.00 0.00 -0.274 OA ATOM 43 N UNK A 8 -0.332 5.382 -0.110 0.00 0.00 -0.302 N ATOM 44 H UNK A 8 -1.006 5.601 -0.829 0.00 0.00 +0.150 HD ATOM 45 C UNK A 8 -0.822 5.579 1.253 0.00 0.00 +0.163 C ATOM 46 C UNK A 8 -2.002 4.653 1.676 0.00 0.00 +0.237 C ATOM 47 O UNK A 8 -2.187 4.408 2.876 0.00 0.00 -0.274 OA ATOM 48 N LEU A 9 -3.011 4.392 0.726 0.00 0.00 -0.291 N ATOM 49 C ACE A 0 -4.346 4.488 1.312 0.00 0.00 +0.133 C ATOM 50 CA LEU A 9 -2.868 3.212 -0.175 0.00 0.00 +0.162 C ATOM 51 C LEU A 9 -1.756 2.188 0.187 0.00 0.00 +0.234 C ATOM 52 O LEU A 9 -0.684 2.529 0.690 0.00 0.00 -0.274 OA ATOM 53 CD PRO A 2 1.381 -2.140 2.103 0.00 0.00 +0.109 C ATOM 54 N UNK A 10 -1.898 0.868 -0.135 0.00 0.00 -0.302 N ATOM 55 H UNK A 10 -1.165 0.333 0.331 0.00 0.00 +0.150 HD ENDROOT BRANCH 17 56 ATOM 56 C UNK A 3 2.700 -6.672 -0.812 0.00 0.00 +0.060 C BRANCH 56 57 ATOM 57 C UNK A 3 2.111 -7.674 -1.805 0.00 0.00 +0.161 C BRANCH 57 58 ATOM 58 O UNK A 3 2.680 -8.962 -1.566 0.00 0.00 -0.383 OA ATOM 59 C UNK A 3 3.815 -9.221 -2.379 0.00 0.00 +0.193 C ENDBRANCH 57 58 ENDBRANCH 56 57 ENDBRANCH 17 56 BRANCH 50 60 ATOM 60 CB LEU A 9 -2.780 3.548 -1.681 0.00 0.00 +0.035 C BRANCH 60 61 ATOM 61 CG LEU A 9 -3.952 4.365 -2.263 0.00 0.00 -0.015 C ATOM 62 CD2 LEU A 9 -3.772 5.872 -2.057 0.00 0.00 +0.007 C ATOM 63 CD1 LEU A 9 -4.075 4.087 -3.767 0.00 0.00 +0.007 C ENDBRANCH 60 61 ENDBRANCH 50 60 BRANCH 45 64 ATOM 64 C UNK A 8 -1.273 7.048 1.406 0.00 0.00 +0.067 C BRANCH 64 65 ATOM 65 C UNK A 8 -1.292 7.535 2.840 0.00 0.00 -0.045 A ATOM 66 C UNK A 8 -2.498 7.622 3.549 0.00 0.00 +0.006 A ATOM 67 C UNK A 8 -2.501 8.026 4.885 0.00 0.00 +0.038 A ATOM 68 C UNK A 8 -1.304 8.351 5.507 0.00 0.00 +0.123 A ATOM 69 F UNK A 8 -1.309 8.733 6.791 0.00 0.00 -0.205 F ATOM 70 C UNK A 8 -0.099 8.275 4.822 0.00 0.00 +0.038 A ATOM 71 C UNK A 8 -0.091 7.870 3.487 0.00 0.00 +0.006 A ENDBRANCH 64 65 ENDBRANCH 45 64 BRANCH 28 72 ATOM 72 C UNK A 5 4.834 -0.017 0.956 0.00 0.00 +0.087 C BRANCH 72 73 ATOM 73 C UNK A 5 6.041 -0.570 1.658 0.00 0.00 +0.051 A ATOM 74 N UNK A 5 6.318 -1.929 1.556 0.00 0.00 -0.252 NA ATOM 75 C UNK A 5 7.408 -2.209 2.238 0.00 0.00 +0.156 A ATOM 76 S UNK A 5 8.142 -0.903 3.059 0.00 0.00 -0.084 S ATOM 77 C UNK A 5 6.934 0.140 2.442 0.00 0.00 +0.070 A ENDBRANCH 72 73 ENDBRANCH 28 72 BRANCH 6 78 ATOM 78 C UNK A 1 -3.109 -3.249 1.078 0.00 0.00 +0.035 C BRANCH 78 79 ATOM 79 C UNK A 1 -3.627 -4.467 1.897 0.00 0.00 -0.009 C BRANCH 79 80 ATOM 80 C UNK A 1 -4.056 -5.578 0.905 0.00 0.00 +0.000 C ATOM 81 C UNK A 1 -4.485 -6.873 1.577 0.00 0.00 +0.004 C ENDBRANCH 79 80 BRANCH 79 82 ATOM 82 C UNK A 1 -4.732 -4.111 2.917 0.00 0.00 +0.000 C ATOM 83 C UNK A 1 -6.029 -3.593 2.320 0.00 0.00 +0.004 C ENDBRANCH 79 82 ENDBRANCH 78 79 ENDBRANCH 6 78 BRANCH 1 84 ATOM 84 C UNK A 10 -2.873 -1.019 -1.384 0.00 0.00 +0.032 C BRANCH 84 85 ATOM 85 C UNK A 10 -4.142 -1.627 -1.996 0.00 0.00 +0.002 C BRANCH 85 86 ATOM 86 C UNK A 10 -4.810 -0.721 -3.037 0.00 0.00 -0.000 C BRANCH 86 88 ATOM 87 C UNK A 10 -6.704 -0.511 -4.686 0.00 0.00 +0.004 C ATOM 88 C UNK A 10 -6.021 -1.409 -3.666 0.00 0.00 -0.003 C ENDBRANCH 86 88 ENDBRANCH 85 86 ENDBRANCH 84 85 ENDBRANCH 1 84 TORSDOF 17