REMARK Name = BDB044324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N PHE A 1 0.098 -0.092 1.031 0.00 0.00 -0.302 N ATOM 2 H PHE A 1 -0.082 -1.034 0.695 0.00 0.00 +0.150 HD ATOM 3 C PHE A 1 1.280 0.220 1.656 0.00 0.00 +0.234 C ATOM 4 O PHE A 1 1.536 1.347 2.074 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 CA PHE A 1 -0.955 0.892 0.718 0.00 0.00 +0.165 C BRANCH 5 8 ATOM 6 N PHE A 1 -3.456 0.564 0.223 0.00 0.00 -0.304 N ATOM 7 H PHE A 1 -4.103 -0.178 -0.016 0.00 0.00 +0.149 HD ATOM 8 C PHE A 1 -2.215 0.040 0.415 0.00 0.00 +0.234 C ATOM 9 O PHE A 1 -2.134 -1.199 0.386 0.00 0.00 -0.274 OA BRANCH 6 10 ATOM 10 CA PHE A 1 -3.849 1.922 -0.140 0.00 0.00 +0.136 C BRANCH 10 11 ATOM 11 C PHE A 1 -3.691 2.949 0.981 0.00 0.00 +0.245 C ATOM 12 O PHE A 1 -3.206 2.716 2.080 0.00 0.00 -0.299 OA ENDBRANCH 10 11 BRANCH 10 13 ATOM 13 CB PHE A 1 -5.283 1.974 -0.714 0.00 0.00 +0.032 C BRANCH 13 15 ATOM 14 CD1 PHE A 1 -6.620 1.966 1.485 0.00 0.00 +0.007 C ATOM 15 CG PHE A 1 -6.414 1.318 0.116 0.00 0.00 -0.015 C ATOM 16 CD2 PHE A 1 -7.723 1.377 -0.679 0.00 0.00 +0.007 C ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 6 10 ENDBRANCH 5 8 BRANCH 5 17 ATOM 17 CB PHE A 1 -0.515 1.831 -0.410 0.00 0.00 +0.088 C BRANCH 17 18 ATOM 18 CG PHE A 1 -0.468 1.173 -1.747 0.00 0.00 +0.061 A ATOM 19 ND1 PHE A 1 -1.478 1.356 -2.663 0.00 0.00 -0.241 NA ATOM 20 CE1 PHE A 1 -1.130 0.645 -3.716 0.00 0.00 +0.196 A ATOM 21 NE2 PHE A 1 0.066 0.020 -3.526 0.00 0.00 -0.351 N ATOM 22 HE2 PHE A 1 0.542 -0.576 -4.190 0.00 0.00 +0.166 HD ATOM 23 CD2 PHE A 1 0.496 0.339 -2.267 0.00 0.00 +0.107 A ENDBRANCH 17 18 ENDBRANCH 5 17 ENDBRANCH 1 5 BRANCH 3 24 ATOM 24 CA PHE A 1 2.225 -0.981 1.836 0.00 0.00 +0.166 C BRANCH 24 25 ATOM 25 N PHE A 1 3.589 -0.477 2.011 0.00 0.00 -0.269 N ATOM 26 H PHE A 1 3.744 0.153 2.791 0.00 0.00 +0.153 HD ATOM 27 C UNK A 0 4.485 -0.267 1.005 0.00 0.00 +0.401 C ATOM 28 O UNK A 0 5.507 0.382 1.194 0.00 0.00 -0.226 OA BRANCH 27 29 ATOM 29 O UNK A 0 4.122 -0.840 -0.170 0.00 0.00 -0.446 OA BRANCH 29 30 ATOM 30 C UNK A 0 5.045 -0.675 -1.257 0.00 0.00 +0.269 C BRANCH 30 31 ATOM 31 C UNK A 0 4.514 0.341 -2.240 0.00 0.00 -0.010 A ATOM 32 C UNK A 0 4.079 -0.047 -3.519 0.00 0.00 +0.007 A ATOM 33 C UNK A 0 3.609 0.909 -4.424 0.00 0.00 +0.000 A ATOM 34 C UNK A 0 3.568 2.256 -4.061 0.00 0.00 +0.000 A ATOM 35 C UNK A 0 3.997 2.654 -2.793 0.00 0.00 +0.000 A ATOM 36 C UNK A 0 4.470 1.700 -1.889 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 24 25 BRANCH 24 37 ATOM 37 CB PHE A 1 1.765 -1.798 3.054 0.00 0.00 +0.067 C BRANCH 37 38 ATOM 38 CG PHE A 1 2.206 -3.241 2.971 0.00 0.00 -0.045 A ATOM 39 CD2 PHE A 1 3.513 -3.612 3.314 0.00 0.00 +0.004 A ATOM 40 CE2 PHE A 1 3.920 -4.943 3.214 0.00 0.00 +0.000 A ATOM 41 CZ PHE A 1 3.026 -5.914 2.770 0.00 0.00 +0.000 A ATOM 42 CE1 PHE A 1 1.722 -5.556 2.432 0.00 0.00 +0.000 A ATOM 43 CD1 PHE A 1 1.313 -4.225 2.529 0.00 0.00 +0.004 A ENDBRANCH 37 38 ENDBRANCH 24 37 ENDBRANCH 3 24 TORSDOF 15