REMARK Name = BDB045434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA PHE A 2 0.057 -2.583 -1.839 0.00 0.00 +0.163 C ENDROOT BRANCH 1 3 ATOM 2 C ALA A 1 -2.099 -1.556 -2.733 0.00 0.00 +0.234 C ATOM 3 N PHE A 2 -0.839 -2.063 -2.880 0.00 0.00 -0.302 N ATOM 4 H PHE A 2 -0.367 -1.665 -3.690 0.00 0.00 +0.150 HD ATOM 5 O ALA A 1 -2.567 -0.874 -3.650 0.00 0.00 -0.274 OA BRANCH 2 8 ATOM 6 C ALA A 1 -4.167 0.159 -1.144 0.00 0.00 +0.237 C ATOM 7 N ALA A 1 -4.174 -1.192 -1.417 0.00 0.00 -0.288 N ATOM 8 CA ALA A 1 -2.920 -1.942 -1.479 0.00 0.00 +0.162 C ATOM 9 CB ALA A 1 -3.356 -3.407 -1.572 0.00 0.00 +0.033 C ATOM 10 CG ALA A 1 -4.751 -3.413 -0.963 0.00 0.00 +0.021 C ATOM 11 CD ALA A 1 -5.327 -2.075 -1.398 0.00 0.00 +0.109 C ATOM 12 O ALA A 1 -3.124 0.742 -0.835 0.00 0.00 -0.274 OA BRANCH 6 13 ATOM 13 CA ALA A 1 -5.476 0.939 -1.369 0.00 0.00 +0.171 C BRANCH 13 14 ATOM 14 N ALA A 1 -5.475 2.093 -0.468 0.00 0.00 -0.302 N ATOM 15 H ALA A 1 -4.670 2.703 -0.561 0.00 0.00 +0.150 HD ATOM 16 C ALA A 1 -5.981 1.963 0.807 0.00 0.00 +0.230 C ATOM 17 O ALA A 1 -6.495 0.915 1.206 0.00 0.00 -0.274 OA BRANCH 16 18 ATOM 18 CA ALA A 1 -5.799 3.179 1.747 0.00 0.00 +0.137 C ATOM 19 CB ALA A 1 -5.657 4.531 1.045 0.00 0.00 +0.034 C BRANCH 18 20 ATOM 20 N ALA A 1 -4.745 2.910 2.751 0.00 0.00 -0.309 NA ATOM 21 H ALA A 1 -4.967 2.013 3.193 0.00 0.00 +0.122 HD ATOM 22 C ACE A 0 -3.394 2.845 2.213 0.00 0.00 +0.101 C ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 13 14 BRANCH 13 23 ATOM 23 C ALA A 1 -5.513 1.355 -2.845 0.00 0.00 +0.120 C BRANCH 23 25 ATOM 24 C ALA A 1 -7.845 2.490 -3.496 0.00 0.00 +0.004 C ATOM 25 C ALA A 1 -6.797 1.980 -3.206 0.00 0.00 -0.103 C ENDBRANCH 23 25 ENDBRANCH 13 23 ENDBRANCH 6 13 ENDBRANCH 2 8 ENDBRANCH 1 3 BRANCH 1 26 ATOM 26 C PHE A 2 1.284 -1.643 -1.769 0.00 0.00 +0.234 C ATOM 27 N UNK A 3 1.989 -1.690 -0.584 0.00 0.00 -0.301 N ATOM 28 H UNK A 3 1.843 -2.488 0.025 0.00 0.00 +0.150 HD ATOM 29 O PHE A 2 1.597 -0.908 -2.704 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C UNK A 3 3.263 -0.972 -0.421 0.00 0.00 +0.186 C BRANCH 30 31 ATOM 31 C UNK A 3 4.389 -1.969 -0.723 0.00 0.00 +0.326 C ATOM 32 O UNK A 3 4.547 -2.571 -1.777 0.00 0.00 -0.249 OA BRANCH 31 33 ATOM 33 O UNK A 3 5.188 -2.264 0.321 0.00 0.00 -0.479 OA ATOM 34 H UNK A 3 5.827 -2.911 -0.045 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 C UNK A 3 3.322 -0.329 0.974 0.00 0.00 +0.069 C BRANCH 35 36 ATOM 36 C UNK A 3 4.401 0.721 1.115 0.00 0.00 -0.045 A ATOM 37 C UNK A 3 5.514 0.498 1.931 0.00 0.00 +0.007 A ATOM 38 C UNK A 3 6.508 1.472 2.050 0.00 0.00 +0.046 A ATOM 39 C UNK A 3 6.412 2.683 1.362 0.00 0.00 +0.121 A ATOM 40 C UNK A 3 5.295 2.919 0.564 0.00 0.00 +0.046 A ATOM 41 C UNK A 3 4.299 1.944 0.437 0.00 0.00 +0.007 A BRANCH 39 42 ATOM 42 O UNK A 3 7.460 3.534 1.569 0.00 0.00 -0.490 OA BRANCH 42 43 ATOM 43 C UNK A 3 7.581 4.693 0.744 0.00 0.00 +0.255 C BRANCH 43 44 ATOM 44 C UNK A 3 6.906 5.910 1.381 0.00 0.00 +0.222 C BRANCH 44 45 ATOM 45 N UNK A 3 7.565 6.304 2.640 0.00 0.00 -0.107 NA ATOM 46 N UNK A 3 8.664 6.870 2.530 0.00 0.00 -0.167 NA ATOM 47 N UNK A 3 9.677 7.380 2.412 0.00 0.00 +0.068 NA ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 39 42 ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 27 30 ENDBRANCH 1 26 BRANCH 1 48 ATOM 48 CB PHE A 2 0.477 -4.021 -2.181 0.00 0.00 +0.067 C BRANCH 48 49 ATOM 49 CG PHE A 2 1.156 -4.748 -1.044 0.00 0.00 -0.045 A ATOM 50 CD2 PHE A 2 0.449 -5.087 0.118 0.00 0.00 +0.004 A ATOM 51 CE2 PHE A 2 1.094 -5.729 1.177 0.00 0.00 +0.000 A ATOM 52 CZ PHE A 2 2.448 -6.045 1.079 0.00 0.00 +0.000 A ATOM 53 CE1 PHE A 2 3.155 -5.728 -0.081 0.00 0.00 +0.000 A ATOM 54 CD1 PHE A 2 2.512 -5.085 -1.138 0.00 0.00 +0.004 A ENDBRANCH 48 49 ENDBRANCH 1 48 TORSDOF 20