REMARK Name = BDB044211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N PHE A 1 -0.927 -1.238 -1.491 0.00 0.00 -0.303 N ATOM 2 H PHE A 1 -1.137 -2.015 -0.873 0.00 0.00 +0.149 HD ATOM 3 C PHE A 1 -1.741 -0.132 -1.359 0.00 0.00 +0.234 C ATOM 4 O PHE A 1 -1.424 0.992 -1.749 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 6 ATOM 5 CB PHE A 1 0.662 -0.413 -3.230 0.00 0.00 +0.038 C ATOM 6 CA PHE A 1 0.474 -1.139 -1.902 0.00 0.00 +0.156 C BRANCH 6 7 ATOM 7 C PHE A 1 1.304 -0.587 -0.714 0.00 0.00 +0.233 C ATOM 8 N PHE A 1 2.577 -0.149 -1.019 0.00 0.00 -0.309 N ATOM 9 H PHE A 1 2.733 0.192 -1.959 0.00 0.00 +0.149 HD ATOM 10 O PHE A 1 0.890 -0.637 0.446 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 CA PHE A 1 3.395 0.529 -0.004 0.00 0.00 +0.099 C BRANCH 11 12 ATOM 12 CB PHE A 1 4.878 0.390 -0.400 0.00 0.00 +0.028 C BRANCH 12 13 ATOM 13 CG PHE A 1 5.897 1.069 0.544 0.00 0.00 -0.009 C ATOM 14 CD2 PHE A 1 7.334 0.898 0.011 0.00 0.00 +0.003 C ATOM 15 CE2 PHE A 1 7.874 -0.522 0.183 0.00 0.00 +0.000 C ATOM 16 CZ PHE A 1 7.753 -1.005 1.625 0.00 0.00 +0.000 C ATOM 17 CE1 PHE A 1 6.334 -0.855 2.163 0.00 0.00 +0.000 C ATOM 18 CD1 PHE A 1 5.823 0.575 1.998 0.00 0.00 +0.003 C ENDBRANCH 12 13 ENDBRANCH 11 12 BRANCH 11 19 ATOM 19 C PHE A 1 2.925 1.990 0.136 0.00 0.00 +0.178 C BRANCH 19 20 ATOM 20 O PHE A 1 3.152 2.695 -1.087 0.00 0.00 -0.393 OA ATOM 21 H PHE A 1 2.719 3.562 -0.990 0.00 0.00 +0.209 HD ENDBRANCH 19 20 ENDBRANCH 11 19 ENDBRANCH 8 11 ENDBRANCH 6 7 ENDBRANCH 1 6 BRANCH 3 22 ATOM 22 CA PHE A 1 -3.102 -0.406 -0.682 0.00 0.00 +0.166 C BRANCH 22 23 ATOM 23 N PHE A 1 -3.704 0.890 -0.396 0.00 0.00 -0.269 N ATOM 24 H PHE A 1 -3.271 1.722 -0.785 0.00 0.00 +0.153 HD ATOM 25 C UNK A 0 -4.667 1.062 0.544 0.00 0.00 +0.401 C ATOM 26 O UNK A 0 -5.189 0.154 1.172 0.00 0.00 -0.226 OA BRANCH 25 27 ATOM 27 O UNK A 0 -4.936 2.380 0.663 0.00 0.00 -0.445 OA BRANCH 27 28 ATOM 28 C UNK A 0 -5.932 2.851 1.606 0.00 0.00 +0.107 C ATOM 29 C UNK A 0 -5.939 4.378 1.436 0.00 0.00 +0.055 C ATOM 30 C UNK A 0 -5.533 2.521 3.049 0.00 0.00 +0.055 C ATOM 31 C UNK A 0 -7.325 2.314 1.260 0.00 0.00 +0.055 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 23 BRANCH 22 32 ATOM 32 CB PHE A 1 -4.018 -1.254 -1.583 0.00 0.00 +0.067 C BRANCH 32 33 ATOM 33 CG PHE A 1 -3.731 -2.737 -1.510 0.00 0.00 -0.045 A ATOM 34 CD2 PHE A 1 -4.024 -3.454 -0.341 0.00 0.00 +0.004 A ATOM 35 CE2 PHE A 1 -3.742 -4.818 -0.261 0.00 0.00 +0.000 A ATOM 36 CZ PHE A 1 -3.170 -5.478 -1.347 0.00 0.00 +0.000 A ATOM 37 CE1 PHE A 1 -2.884 -4.776 -2.516 0.00 0.00 +0.000 A ATOM 38 CD1 PHE A 1 -3.165 -3.412 -2.599 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 22 32 ENDBRANCH 3 22 TORSDOF 13