REMARK Name = BDB001651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA PHE A 1 -1.877 0.916 -0.151 0.00 0.00 +0.160 C ENDROOT BRANCH 1 2 ATOM 2 N PHE A 1 -2.916 0.240 0.619 0.00 0.00 -0.288 N ATOM 3 H PHE A 1 -2.556 -0.336 1.371 0.00 0.00 +0.151 HD ATOM 4 C UNK A 0 -3.953 -0.364 -0.042 0.00 0.00 +0.301 C ATOM 5 N PHE A 1 -4.735 -1.077 0.832 0.00 0.00 -0.286 N ATOM 6 H PHE A 1 -4.811 -0.616 1.729 0.00 0.00 +0.151 HD ATOM 7 O UNK A 0 -4.161 -0.276 -1.243 0.00 0.00 -0.253 OA BRANCH 5 8 ATOM 8 CA PHE A 1 -5.974 -1.723 0.370 0.00 0.00 +0.187 C BRANCH 8 9 ATOM 9 C PHE A 1 -7.018 -0.624 0.139 0.00 0.00 +0.326 C ATOM 10 O PHE A 1 -7.122 0.398 0.807 0.00 0.00 -0.249 OA BRANCH 9 11 ATOM 11 OXT PHE A 1 -7.912 -0.863 -0.837 0.00 0.00 -0.479 OA ATOM 12 HXT PHE A 1 -8.470 -0.057 -0.840 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 CB PHE A 1 -5.752 -2.681 -0.815 0.00 0.00 +0.069 C BRANCH 13 14 ATOM 14 CG PHE A 1 -6.607 -3.929 -0.724 0.00 0.00 -0.045 A ATOM 15 CD2 PHE A 1 -6.223 -4.986 0.115 0.00 0.00 +0.004 A ATOM 16 CE2 PHE A 1 -7.013 -6.132 0.215 0.00 0.00 +0.000 A ATOM 17 CZ PHE A 1 -8.192 -6.233 -0.520 0.00 0.00 +0.000 A ATOM 18 CE1 PHE A 1 -8.581 -5.189 -1.357 0.00 0.00 +0.000 A ATOM 19 CD1 PHE A 1 -7.792 -4.043 -1.460 0.00 0.00 +0.004 A ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 20 N PHE A 1 -0.005 0.195 -1.578 0.00 0.00 -0.302 N ATOM 21 H PHE A 1 -0.002 1.170 -1.855 0.00 0.00 +0.150 HD ATOM 22 C PHE A 1 -0.788 -0.125 -0.486 0.00 0.00 +0.234 C ATOM 23 O PHE A 1 -0.600 -1.127 0.202 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 CA PHE A 1 1.229 -0.544 -1.848 0.00 0.00 +0.161 C BRANCH 24 25 ATOM 25 C PHE A 1 2.365 0.180 -1.086 0.00 0.00 +0.234 C ATOM 26 N PHE A 1 3.485 -0.588 -0.844 0.00 0.00 -0.304 N ATOM 27 H PHE A 1 3.329 -1.591 -0.776 0.00 0.00 +0.149 HD ATOM 28 O PHE A 1 2.294 1.366 -0.764 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 CA PHE A 1 4.578 -0.073 -0.020 0.00 0.00 +0.136 C BRANCH 29 30 ATOM 30 C PHE A 1 4.280 -0.528 1.401 0.00 0.00 +0.245 C ATOM 31 O PHE A 1 3.906 -1.665 1.681 0.00 0.00 -0.299 OA ENDBRANCH 29 30 BRANCH 29 32 ATOM 32 CB PHE A 1 5.916 -0.624 -0.525 0.00 0.00 +0.031 C BRANCH 32 33 ATOM 33 CG PHE A 1 7.145 0.119 0.008 0.00 0.00 +0.025 C BRANCH 33 34 ATOM 34 CD PHE A 1 7.590 -0.335 1.397 0.00 0.00 +0.145 C BRANCH 34 35 ATOM 35 NE PHE A 1 8.727 0.472 1.823 0.00 0.00 -0.253 NA ATOM 36 CZ PHE A 1 9.919 0.057 1.625 0.00 0.00 +0.188 C BRANCH 36 37 ATOM 37 NH1 PHE A 1 10.368 -1.065 1.021 0.00 0.00 -0.370 N ATOM 38 HH11 PHE A 1 11.221 -0.898 0.499 0.00 0.00 +0.159 HD ATOM 39 HH12 PHE A 1 9.683 -1.531 0.443 0.00 0.00 +0.159 HD ENDBRANCH 36 37 BRANCH 36 40 ATOM 40 NH2 PHE A 1 10.965 0.795 2.056 0.00 0.00 -0.370 N ATOM 41 HH21 PHE A 1 11.647 0.236 2.554 0.00 0.00 +0.159 HD ATOM 42 HH22 PHE A 1 10.629 1.550 2.647 0.00 0.00 +0.159 HD ENDBRANCH 36 40 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 26 29 ENDBRANCH 24 25 BRANCH 24 44 ATOM 43 CG1 PHE A 1 1.841 0.680 -4.030 0.00 0.00 +0.009 C ATOM 44 CB PHE A 1 1.475 -0.654 -3.370 0.00 0.00 +0.012 C ATOM 45 CG2 PHE A 1 2.530 -1.709 -3.712 0.00 0.00 +0.009 C ENDBRANCH 24 44 ENDBRANCH 20 24 ENDBRANCH 1 22 BRANCH 1 46 ATOM 46 CB PHE A 1 -1.246 2.060 0.651 0.00 0.00 +0.033 C BRANCH 46 47 ATOM 47 CG PHE A 1 -2.226 3.211 0.890 0.00 0.00 +0.026 C BRANCH 47 48 ATOM 48 CD PHE A 1 -1.565 4.353 1.661 0.00 0.00 +0.145 C BRANCH 48 49 ATOM 49 NE PHE A 1 -2.552 5.411 1.843 0.00 0.00 -0.253 NA ATOM 50 CZ PHE A 1 -2.183 6.498 2.403 0.00 0.00 +0.188 C BRANCH 50 51 ATOM 51 NH2 PHE A 1 -0.977 6.859 2.891 0.00 0.00 -0.370 N ATOM 52 HH21 PHE A 1 -0.339 6.085 3.028 0.00 0.00 +0.159 HD ATOM 53 HH22 PHE A 1 -1.061 7.409 3.737 0.00 0.00 +0.159 HD ENDBRANCH 50 51 BRANCH 50 54 ATOM 54 NH1 PHE A 1 -3.069 7.503 2.569 0.00 0.00 -0.370 N ATOM 55 HH11 PHE A 1 -2.699 8.392 2.254 0.00 0.00 +0.159 HD ATOM 56 HH12 PHE A 1 -3.925 7.282 2.067 0.00 0.00 +0.159 HD ENDBRANCH 50 54 ENDBRANCH 48 49 ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 1 46 TORSDOF 24