REMARK Name = BDB054934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N PHE A 1 -0.119 -0.326 0.987 0.00 0.00 -0.302 N ATOM 2 H PHE A 1 -0.119 -1.290 0.666 0.00 0.00 +0.150 HD ATOM 3 C PHE A 1 1.042 0.279 1.401 0.00 0.00 +0.234 C ATOM 4 O PHE A 1 1.091 1.468 1.714 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 CA PHE A 1 -1.303 0.455 0.633 0.00 0.00 +0.165 C BRANCH 5 8 ATOM 6 N PHE A 1 -3.741 0.123 0.422 0.00 0.00 -0.309 N ATOM 7 H PHE A 1 -3.779 1.122 0.268 0.00 0.00 +0.149 HD ATOM 8 C PHE A 1 -2.520 -0.493 0.599 0.00 0.00 +0.234 C ATOM 9 O PHE A 1 -2.406 -1.711 0.743 0.00 0.00 -0.274 OA BRANCH 6 10 ATOM 10 CA PHE A 1 -4.987 -0.640 0.345 0.00 0.00 +0.099 C BRANCH 10 11 ATOM 11 CB PHE A 1 -6.198 0.269 0.651 0.00 0.00 +0.027 C BRANCH 11 13 ATOM 12 CD1 PHE A 1 -6.927 2.661 0.314 0.00 0.00 +0.007 C ATOM 13 CG PHE A 1 -6.488 1.374 -0.391 0.00 0.00 -0.015 C ATOM 14 CD2 PHE A 1 -7.579 0.958 -1.381 0.00 0.00 +0.007 C ENDBRANCH 11 13 ENDBRANCH 10 11 BRANCH 10 15 ATOM 15 C PHE A 1 -5.104 -1.425 -0.974 0.00 0.00 +0.178 C BRANCH 15 16 ATOM 16 O PHE A 1 -6.284 -2.222 -0.996 0.00 0.00 -0.393 OA ATOM 17 H PHE A 1 -6.119 -2.986 -0.416 0.00 0.00 +0.209 HD ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 6 10 ENDBRANCH 5 8 BRANCH 5 18 ATOM 18 CB PHE A 1 -1.112 1.224 -0.690 0.00 0.00 +0.086 C BRANCH 18 19 ATOM 19 CG PHE A 1 -0.791 0.348 -1.857 0.00 0.00 +0.038 A ATOM 20 ND1 PHE A 1 0.491 0.048 -2.252 0.00 0.00 -0.348 N ATOM 21 HD1 PHE A 1 1.362 0.348 -1.818 0.00 0.00 +0.166 HD ATOM 22 CE1 PHE A 1 0.405 -0.768 -3.343 0.00 0.00 +0.196 A ATOM 23 NE2 PHE A 1 -0.843 -1.005 -3.672 0.00 0.00 -0.244 NA ATOM 24 CD2 PHE A 1 -1.595 -0.312 -2.763 0.00 0.00 +0.133 A ENDBRANCH 18 19 ENDBRANCH 5 18 ENDBRANCH 1 5 BRANCH 3 25 ATOM 25 CA PHE A 1 2.268 -0.648 1.435 0.00 0.00 +0.166 C BRANCH 25 26 ATOM 26 N PHE A 1 3.443 0.171 1.162 0.00 0.00 -0.269 N ATOM 27 H PHE A 1 3.768 0.805 1.881 0.00 0.00 +0.153 HD ATOM 28 C UNK A 0 3.679 0.625 -0.101 0.00 0.00 +0.401 C ATOM 29 O UNK A 0 3.055 0.270 -1.090 0.00 0.00 -0.226 OA BRANCH 28 30 ATOM 30 O UNK A 0 4.653 1.557 -0.058 0.00 0.00 -0.445 OA BRANCH 30 31 ATOM 31 C UNK A 0 5.082 2.240 -1.263 0.00 0.00 +0.107 C ATOM 32 C UNK A 0 6.169 3.219 -0.791 0.00 0.00 +0.055 C ATOM 33 C UNK A 0 3.936 3.044 -1.887 0.00 0.00 +0.055 C ATOM 34 C UNK A 0 5.705 1.258 -2.262 0.00 0.00 +0.055 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 CB PHE A 1 2.330 -1.350 2.797 0.00 0.00 +0.067 C BRANCH 35 36 ATOM 36 CG PHE A 1 3.325 -2.486 2.816 0.00 0.00 -0.045 A ATOM 37 CD2 PHE A 1 2.932 -3.779 2.441 0.00 0.00 +0.004 A ATOM 38 CE2 PHE A 1 3.856 -4.824 2.434 0.00 0.00 +0.000 A ATOM 39 CZ PHE A 1 5.179 -4.589 2.800 0.00 0.00 +0.000 A ATOM 40 CE1 PHE A 1 5.581 -3.307 3.171 0.00 0.00 +0.000 A ATOM 41 CD1 PHE A 1 4.660 -2.260 3.178 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 3 25 TORSDOF 15