REMARK Name = BDB065172 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CB ALA A 1 -7.761 1.215 -0.424 0.00 0.00 +0.038 C ATOM 2 CA ALA A 1 -6.363 0.920 -0.998 0.00 0.00 +0.159 C ATOM 3 N ALA A 1 -6.362 -0.404 -1.658 0.00 0.00 -0.292 N ATOM 4 C ACE A 0 -6.884 -0.438 -3.026 0.00 0.00 +0.133 C ATOM 5 C UNK A 10 -5.793 -1.579 -1.184 0.00 0.00 +0.237 C ATOM 6 O UNK A 10 -5.551 -2.492 -1.991 0.00 0.00 -0.274 OA ATOM 7 C UNK A 10 -5.278 -1.789 0.278 0.00 0.00 +0.165 C ATOM 8 N UNK A 10 -3.906 -1.270 0.394 0.00 0.00 -0.302 N ATOM 9 H UNK A 10 -3.807 -0.263 0.529 0.00 0.00 +0.150 HD ATOM 10 C ALA A 9 -2.794 -1.820 -0.194 0.00 0.00 +0.234 C ATOM 11 O ALA A 9 -1.866 -1.062 -0.487 0.00 0.00 -0.274 OA ATOM 12 CA ALA A 9 -2.713 -3.349 -0.414 0.00 0.00 +0.158 C ATOM 13 CB ALA A 9 -2.576 -4.087 0.914 0.00 0.00 +0.038 C ATOM 14 N ALA A 9 -1.732 -3.702 -1.473 0.00 0.00 -0.292 N ATOM 15 C ACE A 0 -2.288 -3.679 -2.825 0.00 0.00 +0.133 C ATOM 16 C GLY A 8 -0.348 -3.757 -1.368 0.00 0.00 +0.233 C ATOM 17 O GLY A 8 0.378 -3.849 -2.369 0.00 0.00 -0.274 OA ATOM 18 CA GLY A 8 0.314 -3.766 0.014 0.00 0.00 +0.200 C ATOM 19 N GLY A 8 1.755 -3.970 -0.146 0.00 0.00 -0.305 N ATOM 20 H GLY A 8 2.028 -4.374 -1.040 0.00 0.00 +0.149 HD ATOM 21 C PRO A 7 2.740 -3.999 0.796 0.00 0.00 +0.234 C ATOM 22 O PRO A 7 3.843 -4.441 0.471 0.00 0.00 -0.274 OA ATOM 23 CA PRO A 7 2.453 -3.426 2.194 0.00 0.00 +0.162 C ATOM 24 N PRO A 7 3.651 -3.196 3.023 0.00 0.00 -0.288 N ATOM 25 CD PRO A 7 3.465 -3.809 4.327 0.00 0.00 +0.109 C ATOM 26 CG PRO A 7 2.530 -4.968 4.055 0.00 0.00 +0.021 C ATOM 27 C PHE A 6 4.399 -2.024 2.956 0.00 0.00 +0.237 C ATOM 28 O PHE A 6 4.688 -1.415 3.992 0.00 0.00 -0.274 OA ATOM 29 CA PHE A 6 4.964 -1.598 1.564 0.00 0.00 +0.166 C ATOM 30 N PHE A 6 5.164 -0.118 1.469 0.00 0.00 -0.291 N ATOM 31 C ACE A 0 6.194 0.491 2.305 0.00 0.00 +0.133 C ATOM 32 C UNK A 5 4.633 0.715 0.478 0.00 0.00 +0.237 C ATOM 33 O UNK A 5 4.988 1.896 0.398 0.00 0.00 -0.274 OA ATOM 34 C UNK A 5 3.605 0.143 -0.529 0.00 0.00 +0.163 C ATOM 35 N UNK A 5 2.423 -0.405 0.152 0.00 0.00 -0.302 N ATOM 36 H UNK A 5 2.183 -1.359 -0.093 0.00 0.00 +0.150 HD ATOM 37 C UNK A 4 1.437 0.196 0.869 0.00 0.00 +0.234 C ATOM 38 O UNK A 4 0.510 -0.528 1.246 0.00 0.00 -0.274 OA ATOM 39 C UNK A 4 1.424 1.711 1.134 0.00 0.00 +0.164 C ATOM 40 N UNK A 4 0.247 2.185 0.395 0.00 0.00 -0.302 N ATOM 41 H UNK A 4 -0.588 1.609 0.459 0.00 0.00 +0.150 HD ATOM 42 C UNK A 3 0.265 3.238 -0.486 0.00 0.00 +0.234 C ATOM 43 O UNK A 3 1.299 3.819 -0.800 0.00 0.00 -0.274 OA ATOM 44 C UNK A 3 -1.105 3.581 -1.133 0.00 0.00 +0.163 C ATOM 45 N UNK A 3 -2.209 3.018 -0.343 0.00 0.00 -0.302 N ATOM 46 H UNK A 3 -2.155 3.259 0.644 0.00 0.00 +0.150 HD ATOM 47 C ALA A 2 -3.039 1.970 -0.536 0.00 0.00 +0.234 C ATOM 48 O ALA A 2 -3.579 1.528 0.491 0.00 0.00 -0.274 OA ATOM 49 CA ALA A 2 -3.490 1.424 -1.917 0.00 0.00 +0.158 C ATOM 50 CB ALA A 2 -2.402 1.131 -2.943 0.00 0.00 +0.038 C ATOM 51 N ALA A 2 -4.636 2.226 -2.408 0.00 0.00 -0.292 N ATOM 52 C ACE A 0 -4.357 3.316 -3.337 0.00 0.00 +0.133 C ATOM 53 CB PRO A 7 1.581 -4.386 3.019 0.00 0.00 +0.033 C ATOM 54 C ALA A 1 -5.950 2.104 -1.944 0.00 0.00 +0.236 C ATOM 55 O ALA A 1 -6.808 2.925 -2.288 0.00 0.00 -0.274 OA ENDROOT BRANCH 39 56 ATOM 56 C UNK A 4 1.342 2.084 2.648 0.00 0.00 -0.011 C ATOM 57 C UNK A 4 2.476 1.403 3.433 0.00 0.00 +0.013 C ATOM 58 C UNK A 4 1.517 3.612 2.798 0.00 0.00 +0.013 C ATOM 59 C UNK A 4 0.004 1.698 3.305 0.00 0.00 +0.013 C ENDBRANCH 39 56 BRANCH 7 60 ATOM 60 C UNK A 10 -6.154 -1.342 1.451 0.00 0.00 +0.087 C BRANCH 60 61 ATOM 61 C UNK A 10 -7.505 -1.986 1.504 0.00 0.00 +0.051 A ATOM 62 N UNK A 10 -7.841 -2.950 0.570 0.00 0.00 -0.252 NA ATOM 63 C UNK A 10 -9.064 -3.381 0.789 0.00 0.00 +0.156 A ATOM 64 S UNK A 10 -9.880 -2.676 2.123 0.00 0.00 -0.084 S ATOM 65 C UNK A 10 -8.495 -1.714 2.431 0.00 0.00 +0.070 A ENDBRANCH 60 61 ENDBRANCH 7 60 BRANCH 29 66 ATOM 66 CB PHE A 6 6.264 -2.400 1.302 0.00 0.00 +0.067 C BRANCH 66 67 ATOM 67 CG PHE A 6 6.879 -2.160 -0.061 0.00 0.00 -0.045 A ATOM 68 CD2 PHE A 6 6.265 -2.647 -1.223 0.00 0.00 +0.004 A ATOM 69 CE2 PHE A 6 6.825 -2.398 -2.478 0.00 0.00 +0.000 A ATOM 70 CZ PHE A 6 8.007 -1.668 -2.585 0.00 0.00 +0.000 A ATOM 71 CE1 PHE A 6 8.640 -1.197 -1.438 0.00 0.00 +0.000 A ATOM 72 CD1 PHE A 6 8.081 -1.448 -0.182 0.00 0.00 +0.004 A ENDBRANCH 66 67 ENDBRANCH 29 66 BRANCH 34 73 ATOM 73 C UNK A 5 3.240 1.107 -1.673 0.00 0.00 +0.067 C BRANCH 73 74 ATOM 74 C UNK A 5 4.176 0.959 -2.854 0.00 0.00 -0.045 A ATOM 75 C UNK A 5 5.346 1.726 -2.924 0.00 0.00 +0.005 A ATOM 76 C UNK A 5 6.234 1.569 -3.987 0.00 0.00 +0.020 A ATOM 77 C UNK A 5 5.955 0.641 -4.986 0.00 0.00 +0.041 A ATOM 78 CL UNK A 5 7.054 0.437 -6.294 0.00 0.00 -0.084 Cl ATOM 79 C UNK A 5 4.795 -0.129 -4.932 0.00 0.00 +0.020 A ATOM 80 C UNK A 5 3.908 0.026 -3.865 0.00 0.00 +0.005 A ENDBRANCH 73 74 ENDBRANCH 34 73 BRANCH 44 81 ATOM 81 C UNK A 3 -1.250 5.106 -1.319 0.00 0.00 +0.067 C BRANCH 81 82 ATOM 82 C UNK A 3 -1.419 5.890 -0.034 0.00 0.00 -0.045 A ATOM 83 C UNK A 3 -0.304 6.427 0.628 0.00 0.00 +0.006 A ATOM 84 C UNK A 3 -0.461 7.121 1.830 0.00 0.00 +0.038 A ATOM 85 C UNK A 3 -1.731 7.278 2.370 0.00 0.00 +0.123 A ATOM 86 F UNK A 3 -1.879 7.935 3.528 0.00 0.00 -0.205 F ATOM 87 C UNK A 3 -2.850 6.764 1.725 0.00 0.00 +0.038 A ATOM 88 C UNK A 3 -2.695 6.075 0.522 0.00 0.00 +0.006 A ENDBRANCH 81 82 ENDBRANCH 44 81 TORSDOF 9