REMARK Name = BDB044281 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N PHE A 1 0.222 -0.233 -1.495 0.00 0.00 -0.303 N ATOM 2 H PHE A 1 0.207 0.736 -1.796 0.00 0.00 +0.149 HD ATOM 3 C PHE A 1 -0.608 -0.570 -0.445 0.00 0.00 +0.234 C ATOM 4 O PHE A 1 -0.437 -1.572 0.249 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 CA PHE A 1 1.491 -0.926 -1.685 0.00 0.00 +0.156 C ATOM 6 CB PHE A 1 1.835 -1.010 -3.165 0.00 0.00 +0.038 C BRANCH 5 9 ATOM 7 N PHE A 1 3.739 -0.839 -0.686 0.00 0.00 -0.304 N ATOM 8 H PHE A 1 3.906 -1.658 -1.261 0.00 0.00 +0.149 HD ATOM 9 C PHE A 1 2.579 -0.134 -0.933 0.00 0.00 +0.234 C ATOM 10 O PHE A 1 2.438 1.048 -0.617 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 CA PHE A 1 4.936 -0.154 -0.199 0.00 0.00 +0.136 C BRANCH 11 12 ATOM 12 C PHE A 1 5.692 0.294 -1.447 0.00 0.00 +0.245 C ATOM 13 O PHE A 1 5.689 -0.330 -2.508 0.00 0.00 -0.299 OA ENDBRANCH 11 12 BRANCH 11 14 ATOM 14 CB PHE A 1 5.788 -1.111 0.644 0.00 0.00 +0.032 C BRANCH 14 16 ATOM 15 CD1 PHE A 1 7.689 0.531 1.167 0.00 0.00 +0.007 C ATOM 16 CG PHE A 1 6.677 -0.465 1.728 0.00 0.00 -0.015 C ATOM 17 CD2 PHE A 1 5.850 0.183 2.840 0.00 0.00 +0.007 C ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 5 9 ENDBRANCH 1 5 BRANCH 3 18 ATOM 18 CA PHE A 1 -1.733 0.445 -0.170 0.00 0.00 +0.166 C BRANCH 18 19 ATOM 19 N PHE A 1 -2.846 -0.285 0.425 0.00 0.00 -0.269 N ATOM 20 H PHE A 1 -2.659 -0.823 1.261 0.00 0.00 +0.153 HD ATOM 21 C UNK A 0 -3.814 -0.837 -0.358 0.00 0.00 +0.401 C ATOM 22 O UNK A 0 -3.986 -0.590 -1.540 0.00 0.00 -0.226 OA BRANCH 21 23 ATOM 23 O UNK A 0 -4.525 -1.711 0.390 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C UNK A 0 -5.618 -2.465 -0.192 0.00 0.00 +0.107 C ATOM 25 C UNK A 0 -5.123 -3.395 -1.305 0.00 0.00 +0.055 C ATOM 26 C UNK A 0 -6.739 -1.538 -0.676 0.00 0.00 +0.055 C ATOM 27 C UNK A 0 -6.157 -3.324 0.962 0.00 0.00 +0.055 C ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 18 19 BRANCH 18 28 ATOM 28 CB PHE A 1 -1.186 1.530 0.769 0.00 0.00 +0.067 C BRANCH 28 29 ATOM 29 CG PHE A 1 -2.045 2.774 0.789 0.00 0.00 -0.045 A ATOM 30 CD2 PHE A 1 -3.203 2.831 1.576 0.00 0.00 +0.004 A ATOM 31 CE2 PHE A 1 -4.001 3.975 1.578 0.00 0.00 +0.000 A ATOM 32 CZ PHE A 1 -3.651 5.073 0.794 0.00 0.00 +0.000 A ATOM 33 CE1 PHE A 1 -2.502 5.027 0.007 0.00 0.00 +0.000 A ATOM 34 CD1 PHE A 1 -1.703 3.883 0.002 0.00 0.00 +0.004 A ENDBRANCH 28 29 ENDBRANCH 18 28 ENDBRANCH 3 18 TORSDOF 12