REMARK Name = BDB053147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ALA A 1 0.556 -0.945 2.137 0.00 0.00 +0.187 C ENDROOT BRANCH 1 4 ATOM 2 N ALA A 1 -1.885 -0.732 1.835 0.00 0.00 -0.303 N ATOM 3 H ALA A 1 -1.791 0.031 2.510 0.00 0.00 +0.149 HD ATOM 4 C ALA A 1 -0.702 -1.147 1.264 0.00 0.00 +0.236 C ATOM 5 O ALA A 1 -0.645 -1.706 0.167 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA ALA A 1 -3.129 -0.769 1.077 0.00 0.00 +0.156 C ATOM 7 CB ALA A 1 -4.310 -0.999 2.011 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 N ALA A 1 -4.166 0.470 -0.775 0.00 0.00 -0.301 N ATOM 9 H ALA A 1 -4.786 -0.331 -0.806 0.00 0.00 +0.150 HD ATOM 10 C ALA A 1 -3.325 0.558 0.318 0.00 0.00 +0.234 C ATOM 11 O ALA A 1 -2.821 1.617 0.686 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 CA ALA A 1 -4.633 1.683 -1.458 0.00 0.00 +0.184 C BRANCH 12 14 ATOM 13 CG1 ALA A 1 -5.041 2.719 -3.745 0.00 0.00 +0.009 C ATOM 14 CB ALA A 1 -4.858 1.417 -2.962 0.00 0.00 +0.014 C ATOM 15 CG2 ALA A 1 -6.023 0.465 -3.253 0.00 0.00 +0.009 C ENDBRANCH 12 14 BRANCH 12 16 ATOM 16 C ALA A 1 -5.895 2.158 -0.731 0.00 0.00 +0.326 C ATOM 17 O ALA A 1 -6.683 1.449 -0.119 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 OXT ALA A 1 -6.107 3.484 -0.832 0.00 0.00 -0.479 OA ATOM 19 HXT ALA A 1 -6.915 3.642 -0.300 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 N ALA A 1 1.701 -1.462 1.388 0.00 0.00 -0.301 N ATOM 21 H ALA A 1 1.500 -1.793 0.446 0.00 0.00 +0.150 HD ATOM 22 C ALA A 1 2.871 -1.827 2.008 0.00 0.00 +0.230 C ATOM 23 O ALA A 1 3.071 -1.636 3.207 0.00 0.00 -0.274 OA BRANCH 22 24 ATOM 24 CA ALA A 1 3.896 -2.509 1.077 0.00 0.00 +0.137 C ATOM 25 CB ALA A 1 3.516 -3.980 0.923 0.00 0.00 +0.034 C BRANCH 24 26 ATOM 26 N ALA A 1 5.263 -2.432 1.635 0.00 0.00 -0.306 NA ATOM 27 H ALA A 1 5.189 -2.722 2.616 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C UNK A 0 5.839 -1.078 1.625 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C UNK A 0 6.397 -0.623 0.263 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C UNK A 0 5.398 0.044 -0.654 0.00 0.00 -0.045 A ATOM 31 C UNK A 0 5.083 -0.528 -1.896 0.00 0.00 +0.025 A ATOM 32 C UNK A 0 4.164 0.087 -2.754 0.00 0.00 +0.060 A ATOM 33 CL UNK A 0 3.816 -0.697 -4.254 0.00 0.00 -0.082 Cl ATOM 34 C UNK A 0 3.561 1.292 -2.381 0.00 0.00 +0.059 A ATOM 35 CL UNK A 0 2.417 2.110 -3.385 0.00 0.00 -0.082 Cl ATOM 36 C UNK A 0 3.882 1.876 -1.153 0.00 0.00 +0.022 A ATOM 37 C UNK A 0 4.795 1.256 -0.296 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 1 20 BRANCH 1 38 ATOM 38 CB ALA A 1 0.756 0.510 2.603 0.00 0.00 +0.141 C ATOM 39 CG2 ALA A 1 0.755 1.527 1.468 0.00 0.00 +0.040 C BRANCH 38 40 ATOM 40 OG1 ALA A 1 -0.266 0.868 3.543 0.00 0.00 -0.390 OA ATOM 41 HG1 ALA A 1 0.084 0.657 4.429 0.00 0.00 +0.210 HD ENDBRANCH 38 40 ENDBRANCH 1 38 TORSDOF 15