REMARK Name = BDB048080 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LEU A 3 -1.191 -2.548 1.021 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C ALA A 2 0.822 -1.160 0.621 0.00 0.00 +0.234 C ATOM 3 N LEU A 3 -0.013 -1.825 1.492 0.00 0.00 -0.302 N ATOM 4 H LEU A 3 -0.078 -1.468 2.440 0.00 0.00 +0.150 HD ATOM 5 O ALA A 2 0.738 -1.259 -0.603 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA ALA A 2 1.891 -0.281 1.297 0.00 0.00 +0.156 C ATOM 7 CB ALA A 2 1.275 1.021 1.790 0.00 0.00 +0.038 C BRANCH 6 9 ATOM 8 C PHE A 1 4.245 0.231 0.689 0.00 0.00 +0.234 C ATOM 9 N ALA A 2 2.947 -0.036 0.323 0.00 0.00 -0.303 N ATOM 10 H ALA A 2 2.683 -0.101 -0.657 0.00 0.00 +0.149 HD ATOM 11 O PHE A 1 4.599 0.310 1.865 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 CA PHE A 1 5.236 0.336 -0.486 0.00 0.00 +0.163 C BRANCH 12 14 ATOM 13 C UNK A 0 6.923 2.150 -0.625 0.00 0.00 +0.245 C ATOM 14 N PHE A 1 6.426 1.029 -0.003 0.00 0.00 -0.300 N ATOM 15 H PHE A 1 6.838 0.686 0.854 0.00 0.00 +0.150 HD ATOM 16 O UNK A 0 6.440 2.625 -1.645 0.00 0.00 -0.270 OA BRANCH 13 20 ATOM 17 C UNK A 0 10.399 4.012 1.088 0.00 0.00 -0.048 A ATOM 18 C UNK A 0 9.477 3.361 1.919 0.00 0.00 +0.004 A ATOM 19 C UNK A 0 8.341 2.749 1.380 0.00 0.00 +0.013 A ATOM 20 C UNK A 0 8.119 2.778 -0.001 0.00 0.00 +0.037 A ATOM 21 C UNK A 0 9.030 3.439 -0.833 0.00 0.00 +0.013 A ATOM 22 C UNK A 0 10.164 4.051 -0.293 0.00 0.00 +0.004 A BRANCH 17 24 ATOM 23 C UNK A 0 11.272 6.080 2.206 0.00 0.00 +0.009 C ATOM 24 C UNK A 0 11.608 4.694 1.678 0.00 0.00 +0.032 C ENDBRANCH 17 24 ENDBRANCH 13 20 ENDBRANCH 12 14 BRANCH 12 25 ATOM 25 CB PHE A 1 5.555 -1.088 -0.974 0.00 0.00 +0.067 C BRANCH 25 26 ATOM 26 CG PHE A 1 6.588 -1.173 -2.075 0.00 0.00 -0.045 A ATOM 27 CD2 PHE A 1 7.766 -1.910 -1.880 0.00 0.00 +0.004 A ATOM 28 CE2 PHE A 1 8.718 -2.009 -2.896 0.00 0.00 +0.000 A ATOM 29 CZ PHE A 1 8.503 -1.376 -4.120 0.00 0.00 +0.000 A ATOM 30 CE1 PHE A 1 7.337 -0.641 -4.324 0.00 0.00 +0.000 A ATOM 31 CD1 PHE A 1 6.383 -0.542 -3.309 0.00 0.00 +0.004 A ENDBRANCH 25 26 ENDBRANCH 12 25 ENDBRANCH 8 12 ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 32 ATOM 32 C LEU A 3 -2.428 -1.782 1.544 0.00 0.00 +0.234 C ATOM 33 N UNK A 4 -3.619 -2.147 0.965 0.00 0.00 -0.302 N ATOM 34 H UNK A 4 -3.648 -2.886 0.266 0.00 0.00 +0.150 HD ATOM 35 O LEU A 3 -2.353 -0.945 2.445 0.00 0.00 -0.274 OA BRANCH 33 36 ATOM 36 C UNK A 4 -4.910 -1.662 1.440 0.00 0.00 +0.159 C BRANCH 36 37 ATOM 37 C UNK A 4 -5.968 -2.733 1.097 0.00 0.00 +0.234 C ATOM 38 N UNK A 5 -7.195 -2.566 1.700 0.00 0.00 -0.299 N ATOM 39 H UNK A 5 -7.420 -1.628 2.018 0.00 0.00 +0.150 HD ATOM 40 O UNK A 4 -5.718 -3.672 0.341 0.00 0.00 -0.274 OA BRANCH 38 41 ATOM 41 C UNK A 5 -8.364 -3.318 1.216 0.00 0.00 +0.207 C BRANCH 41 42 ATOM 42 C UNK A 5 -9.132 -2.430 0.234 0.00 0.00 +0.330 C ATOM 43 O UNK A 5 -8.948 -1.224 0.108 0.00 0.00 -0.249 OA BRANCH 42 44 ATOM 44 O UNK A 5 -10.031 -3.166 -0.479 0.00 0.00 -0.467 OA ATOM 45 C UNK A 5 -10.783 -2.405 -1.430 0.00 0.00 +0.280 C ENDBRANCH 42 44 ENDBRANCH 41 42 BRANCH 41 46 ATOM 46 C UNK A 5 -9.272 -3.745 2.369 0.00 0.00 +0.189 C BRANCH 46 47 ATOM 47 O UNK A 5 -9.473 -2.682 3.302 0.00 0.00 -0.393 OA ATOM 48 H UNK A 5 -8.648 -2.598 3.812 0.00 0.00 +0.209 HD ENDBRANCH 46 47 ENDBRANCH 41 46 ENDBRANCH 38 41 ENDBRANCH 36 37 BRANCH 36 49 ATOM 49 C UNK A 4 -5.258 -0.280 0.866 0.00 0.00 +0.032 C BRANCH 49 50 ATOM 50 C UNK A 4 -5.381 -0.259 -0.664 0.00 0.00 +0.004 C BRANCH 50 51 ATOM 51 C UNK A 4 -5.878 1.087 -1.205 0.00 0.00 +0.015 C BRANCH 51 52 ATOM 52 C UNK A 4 -4.860 2.221 -1.037 0.00 0.00 +0.084 C BRANCH 52 53 ATOM 53 N UNK A 4 -5.415 3.469 -1.599 0.00 0.00 -0.303 NA BRANCH 53 54 ATOM 54 C UNK A 4 -4.481 4.045 -2.583 0.00 0.00 +0.081 C ATOM 55 C UNK A 4 -5.096 5.157 -3.429 0.00 0.00 +0.020 C ENDBRANCH 53 54 BRANCH 53 56 ATOM 56 C UNK A 4 -5.769 4.439 -0.546 0.00 0.00 +0.081 C ATOM 57 C UNK A 4 -6.886 3.957 0.380 0.00 0.00 +0.020 C ENDBRANCH 53 56 ENDBRANCH 52 53 ENDBRANCH 51 52 ENDBRANCH 50 51 ENDBRANCH 49 50 ENDBRANCH 36 49 ENDBRANCH 33 36 ENDBRANCH 1 32 BRANCH 1 58 ATOM 58 CB LEU A 3 -1.224 -3.994 1.546 0.00 0.00 +0.034 C BRANCH 58 59 ATOM 59 CG LEU A 3 -0.315 -4.974 0.772 0.00 0.00 -0.015 C ATOM 60 CD2 LEU A 3 -0.744 -6.418 1.070 0.00 0.00 +0.007 C ATOM 61 CD1 LEU A 3 1.167 -4.807 1.116 0.00 0.00 +0.007 C ENDBRANCH 58 59 ENDBRANCH 1 58 TORSDOF 26