REMARK Name = BDB043572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C ALA A 2 1.404 -0.217 0.225 0.00 0.00 +0.234 C ATOM 2 N UNK A 3 0.087 -0.285 0.614 0.00 0.00 -0.302 N ATOM 3 H UNK A 3 -0.237 0.265 1.405 0.00 0.00 +0.150 HD ATOM 4 O ALA A 2 1.881 -0.931 -0.658 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 CA ALA A 2 2.227 0.859 0.952 0.00 0.00 +0.156 C ATOM 6 CB ALA A 2 2.116 2.186 0.217 0.00 0.00 +0.038 C BRANCH 5 8 ATOM 7 C PHE A 1 4.339 0.477 2.198 0.00 0.00 +0.234 C ATOM 8 N ALA A 2 3.613 0.419 1.026 0.00 0.00 -0.303 N ATOM 9 H ALA A 2 3.958 -0.181 0.280 0.00 0.00 +0.149 HD ATOM 10 O PHE A 1 3.880 0.963 3.228 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 CA PHE A 1 5.694 -0.256 2.131 0.00 0.00 +0.163 C BRANCH 11 13 ATOM 12 C UNK A 0 7.143 -1.114 0.320 0.00 0.00 +0.245 C ATOM 13 N PHE A 1 6.288 -0.143 0.792 0.00 0.00 -0.300 N ATOM 14 H PHE A 1 6.310 0.786 0.397 0.00 0.00 +0.150 HD ATOM 15 O UNK A 0 7.217 -2.232 0.820 0.00 0.00 -0.270 OA BRANCH 12 19 ATOM 16 C UNK A 0 9.733 -0.218 -3.004 0.00 0.00 +0.059 A ATOM 17 C UNK A 0 9.360 -1.535 -2.711 0.00 0.00 +0.016 A ATOM 18 C UNK A 0 8.509 -1.804 -1.634 0.00 0.00 +0.014 A ATOM 19 C UNK A 0 8.006 -0.759 -0.844 0.00 0.00 +0.037 A ATOM 20 C UNK A 0 8.379 0.559 -1.137 0.00 0.00 +0.014 A ATOM 21 C UNK A 0 9.237 0.828 -2.212 0.00 0.00 +0.016 A BRANCH 16 22 ATOM 22 C UNK A 0 10.658 0.015 -4.147 0.00 0.00 +0.339 C ATOM 23 O UNK A 0 10.987 -0.857 -4.934 0.00 0.00 -0.245 OA BRANCH 22 25 ATOM 24 C UNK A 0 12.017 1.599 -5.200 0.00 0.00 +0.280 C ATOM 25 O UNK A 0 11.076 1.307 -4.164 0.00 0.00 -0.464 OA ENDBRANCH 22 25 ENDBRANCH 16 22 ENDBRANCH 12 19 ENDBRANCH 11 13 BRANCH 11 26 ATOM 26 CB PHE A 1 6.667 0.188 3.242 0.00 0.00 +0.067 C BRANCH 26 27 ATOM 27 CG PHE A 1 7.386 1.491 2.960 0.00 0.00 -0.045 A ATOM 28 CD2 PHE A 1 8.715 1.479 2.508 0.00 0.00 +0.004 A ATOM 29 CE2 PHE A 1 9.378 2.671 2.218 0.00 0.00 +0.000 A ATOM 30 CZ PHE A 1 8.724 3.889 2.384 0.00 0.00 +0.000 A ATOM 31 CE1 PHE A 1 7.408 3.915 2.843 0.00 0.00 +0.000 A ATOM 32 CD1 PHE A 1 6.742 2.723 3.133 0.00 0.00 +0.004 A ENDBRANCH 26 27 ENDBRANCH 11 26 ENDBRANCH 7 11 ENDBRANCH 5 8 ENDBRANCH 1 5 BRANCH 2 33 ATOM 33 C UNK A 3 -0.847 -1.291 0.102 0.00 0.00 +0.162 C BRANCH 33 34 ATOM 34 C UNK A 3 -0.510 -2.687 0.650 0.00 0.00 +0.018 C ATOM 35 C UNK A 3 -0.661 -2.860 2.164 0.00 0.00 +0.006 C ATOM 36 C UNK A 3 -0.668 -4.375 2.381 0.00 0.00 +0.000 C ATOM 37 C UNK A 3 -0.934 -5.006 1.014 0.00 0.00 +0.000 C ATOM 38 C UNK A 3 -1.341 -3.849 0.110 0.00 0.00 +0.006 C ENDBRANCH 33 34 BRANCH 33 39 ATOM 39 C UNK A 3 -2.258 -0.781 0.469 0.00 0.00 +0.234 C ATOM 40 N UNK A 4 -3.295 -1.311 -0.255 0.00 0.00 -0.302 N ATOM 41 H UNK A 4 -3.122 -1.961 -1.018 0.00 0.00 +0.150 HD ATOM 42 O UNK A 3 -2.446 0.043 1.367 0.00 0.00 -0.274 OA BRANCH 40 43 ATOM 43 C UNK A 4 -4.688 -1.000 0.049 0.00 0.00 +0.159 C BRANCH 43 44 ATOM 44 C UNK A 4 -5.532 -2.191 -0.442 0.00 0.00 +0.234 C ATOM 45 N SER A 5 -6.674 -2.422 0.289 0.00 0.00 -0.307 N ATOM 46 H SER A 5 -6.988 -1.712 0.941 0.00 0.00 +0.149 HD ATOM 47 O UNK A 4 -5.208 -2.855 -1.424 0.00 0.00 -0.274 OA BRANCH 45 48 ATOM 48 CA SER A 5 -7.724 -3.346 -0.153 0.00 0.00 +0.124 C BRANCH 48 49 ATOM 49 CB SER A 5 -8.963 -3.174 0.748 0.00 0.00 +0.180 C BRANCH 49 50 ATOM 50 OG SER A 5 -9.283 -1.777 0.879 0.00 0.00 -0.393 OA ATOM 51 H SER A 5 -10.136 -1.757 1.352 0.00 0.00 +0.209 HD ENDBRANCH 49 50 ENDBRANCH 48 49 BRANCH 48 52 ATOM 52 C SER A 5 -7.264 -4.814 -0.163 0.00 0.00 +0.180 C BRANCH 52 53 ATOM 53 O SER A 5 -8.349 -5.677 -0.487 0.00 0.00 -0.393 OA ATOM 54 H SER A 5 -7.994 -6.585 -0.488 0.00 0.00 +0.209 HD ENDBRANCH 52 53 ENDBRANCH 48 52 ENDBRANCH 45 48 ENDBRANCH 43 44 BRANCH 43 55 ATOM 55 C UNK A 4 -5.109 0.304 -0.645 0.00 0.00 +0.032 C BRANCH 55 56 ATOM 56 C UNK A 4 -6.450 0.854 -0.154 0.00 0.00 +0.000 C BRANCH 56 57 ATOM 57 C UNK A 4 -6.755 2.219 -0.784 0.00 0.00 -0.018 C BRANCH 57 58 ATOM 58 C UNK A 4 -8.097 2.759 -0.285 0.00 0.00 -0.076 C BRANCH 58 59 ATOM 59 N UNK A 4 -8.502 4.099 -0.924 0.00 0.00 +0.374 N ATOM 60 C UNK A 4 -9.800 4.562 -0.253 0.00 0.00 -0.093 C ATOM 61 C UNK A 4 -7.446 5.174 -0.706 0.00 0.00 -0.093 C ATOM 62 C UNK A 4 -8.772 3.943 -2.417 0.00 0.00 -0.093 C ENDBRANCH 58 59 ENDBRANCH 57 58 ENDBRANCH 56 57 ENDBRANCH 55 56 ENDBRANCH 43 55 ENDBRANCH 40 43 ENDBRANCH 33 39 ENDBRANCH 2 33 TORSDOF 24