REMARK Name = BDB045442 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 2 2.119 -0.759 -0.382 0.00 0.00 +0.159 C ATOM 2 C UNK A 2 2.992 -2.032 -0.321 0.00 0.00 +0.237 C ATOM 3 O UNK A 2 4.223 -1.943 -0.440 0.00 0.00 -0.274 OA ATOM 4 N PRO A 3 2.372 -3.253 -0.198 0.00 0.00 -0.288 N ATOM 5 CA PRO A 3 0.934 -3.532 -0.110 0.00 0.00 +0.162 C ATOM 6 CB PRO A 3 0.847 -5.037 -0.389 0.00 0.00 +0.033 C ATOM 7 CG PRO A 3 2.171 -5.569 0.153 0.00 0.00 +0.021 C ATOM 8 C PRO A 3 0.365 -3.214 1.292 0.00 0.00 +0.234 C ATOM 9 O PRO A 3 1.072 -3.099 2.294 0.00 0.00 -0.274 OA ATOM 10 N PHE A 4 -0.988 -3.072 1.456 0.00 0.00 -0.302 N ATOM 11 H PHE A 4 -1.242 -2.947 2.429 0.00 0.00 +0.150 HD ATOM 12 CA PHE A 4 -2.047 -3.290 0.464 0.00 0.00 +0.163 C ATOM 13 C PHE A 4 -2.186 -2.101 -0.511 0.00 0.00 +0.234 C ATOM 14 O PHE A 4 -2.197 -2.321 -1.728 0.00 0.00 -0.274 OA ATOM 15 N UNK A 5 -2.321 -0.811 -0.110 0.00 0.00 -0.301 N ATOM 16 H UNK A 5 -2.519 -0.194 -0.892 0.00 0.00 +0.150 HD ATOM 17 C UNK A 5 -2.424 -0.187 1.218 0.00 0.00 +0.182 C ATOM 18 C UNK A 5 -1.923 1.266 1.137 0.00 0.00 +0.034 C ATOM 19 C UNK A 5 -1.867 1.980 2.493 0.00 0.00 +0.004 C ATOM 20 C UNK A 5 -1.130 3.325 2.459 0.00 0.00 +0.023 C ATOM 21 C UNK A 5 -1.764 4.388 1.554 0.00 0.00 +0.145 C ATOM 22 N UNK A 5 -1.018 4.582 0.326 0.00 0.00 -0.251 N ATOM 23 N UNK A 5 -1.299 3.853 -0.767 0.00 0.00 -0.065 NA ATOM 24 N UNK A 5 -0.434 4.196 -1.706 0.00 0.00 -0.135 NA ATOM 25 C UNK A 5 0.400 5.157 -1.190 0.00 0.00 +0.083 A ATOM 26 C UNK A 5 1.541 5.701 -1.975 0.00 0.00 +0.068 C ATOM 27 C UNK A 5 2.321 4.598 -2.688 0.00 0.00 +0.102 C ATOM 28 C UNK A 5 1.830 4.385 -4.108 0.00 0.00 +0.213 C ATOM 29 O UNK A 5 1.488 5.324 -4.826 0.00 0.00 -0.276 OA ATOM 30 N UNK A 2 1.865 3.131 -4.641 0.00 0.00 -0.315 N ATOM 31 H UNK A 2 1.493 3.104 -5.585 0.00 0.00 +0.149 HD ATOM 32 C UNK A 2 2.073 1.866 -3.960 0.00 0.00 +0.104 C ATOM 33 C UNK A 2 0.755 1.276 -3.431 0.00 0.00 +0.019 C ATOM 34 C UNK A 2 0.862 0.758 -1.995 0.00 0.00 +0.004 C ATOM 35 C UNK A 5 0.014 5.441 0.101 0.00 0.00 +0.133 A ATOM 36 CD PRO A 3 3.151 -4.476 -0.230 0.00 0.00 +0.109 C ATOM 37 C UNK A 2 1.810 -0.436 -1.850 0.00 0.00 +0.032 C ENDROOT BRANCH 1 39 ATOM 38 C ALA A 1 2.493 1.032 1.312 0.00 0.00 +0.230 C ATOM 39 N UNK A 2 2.922 0.313 0.217 0.00 0.00 -0.303 N ATOM 40 H UNK A 2 3.915 0.278 0.011 0.00 0.00 +0.149 HD ATOM 41 O ALA A 1 1.383 0.876 1.820 0.00 0.00 -0.274 OA BRANCH 38 42 ATOM 42 CA ALA A 1 3.546 2.031 1.849 0.00 0.00 +0.137 C ATOM 43 CB ALA A 1 4.409 1.310 2.881 0.00 0.00 +0.034 C BRANCH 42 45 ATOM 44 C ACE A 0 3.737 4.230 2.924 0.00 0.00 +0.101 C ATOM 45 N ALA A 1 2.850 3.224 2.368 0.00 0.00 -0.309 NA ATOM 46 H ALA A 1 2.171 2.919 3.065 0.00 0.00 +0.122 HD ENDBRANCH 42 45 ENDBRANCH 38 42 ENDBRANCH 1 39 BRANCH 17 47 ATOM 47 C UNK A 5 -3.892 -0.184 1.674 0.00 0.00 +0.325 C ATOM 48 O UNK A 5 -4.856 -0.023 0.945 0.00 0.00 -0.249 OA BRANCH 47 49 ATOM 49 O UNK A 5 -4.043 -0.350 3.011 0.00 0.00 -0.479 OA ATOM 50 H UNK A 5 -3.213 -0.397 3.524 0.00 0.00 +0.295 HD ENDBRANCH 47 49 ENDBRANCH 17 47 BRANCH 12 51 ATOM 51 CB PHE A 4 -3.373 -3.655 1.147 0.00 0.00 +0.067 C BRANCH 51 52 ATOM 52 CG PHE A 4 -4.368 -4.316 0.226 0.00 0.00 -0.045 A ATOM 53 CD2 PHE A 4 -5.345 -3.561 -0.438 0.00 0.00 +0.004 A ATOM 54 CE2 PHE A 4 -6.272 -4.186 -1.276 0.00 0.00 +0.000 A ATOM 55 CZ PHE A 4 -6.228 -5.565 -1.463 0.00 0.00 +0.000 A ATOM 56 CE1 PHE A 4 -5.261 -6.326 -0.812 0.00 0.00 +0.000 A ATOM 57 CD1 PHE A 4 -4.330 -5.703 0.024 0.00 0.00 +0.004 A ENDBRANCH 51 52 ENDBRANCH 12 51 TORSDOF 7