REMARK Name = BDB053145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA GLU A 1 -0.692 -3.534 1.271 0.00 0.00 +0.187 C ENDROOT BRANCH 1 4 ATOM 2 N GLU A 1 1.629 -2.745 1.262 0.00 0.00 -0.302 N ATOM 3 H GLU A 1 1.513 -3.049 0.292 0.00 0.00 +0.150 HD ATOM 4 C GLU A 1 0.481 -2.881 2.025 0.00 0.00 +0.236 C ATOM 5 O GLU A 1 0.364 -2.385 3.143 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA GLU A 1 2.521 -1.605 1.485 0.00 0.00 +0.169 C BRANCH 6 9 ATOM 7 N GLU A 1 2.458 0.813 0.949 0.00 0.00 -0.301 N ATOM 8 H GLU A 1 3.313 0.826 1.508 0.00 0.00 +0.150 HD ATOM 9 C GLU A 1 1.895 -0.418 0.700 0.00 0.00 +0.235 C ATOM 10 O GLU A 1 0.982 -0.574 -0.116 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 CA GLU A 1 2.274 1.927 0.011 0.00 0.00 +0.184 C BRANCH 11 13 ATOM 12 CG1 GLU A 1 3.977 3.531 1.089 0.00 0.00 +0.009 C ATOM 13 CB GLU A 1 2.512 3.280 0.717 0.00 0.00 +0.014 C ATOM 14 CG2 GLU A 1 1.981 4.458 -0.104 0.00 0.00 +0.009 C ENDBRANCH 11 13 BRANCH 11 15 ATOM 15 C GLU A 1 3.205 1.676 -1.186 0.00 0.00 +0.326 C ATOM 16 O GLU A 1 4.137 0.882 -1.227 0.00 0.00 -0.249 OA BRANCH 15 17 ATOM 17 OXT GLU A 1 2.895 2.416 -2.268 0.00 0.00 -0.479 OA ATOM 18 HXT GLU A 1 3.536 2.133 -2.954 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 11 15 ENDBRANCH 7 11 ENDBRANCH 6 9 BRANCH 6 19 ATOM 19 CB GLU A 1 3.912 -1.938 0.941 0.00 0.00 +0.152 C BRANCH 19 20 ATOM 20 CG GLU A 1 4.965 -1.036 1.524 0.00 0.00 +0.307 C ATOM 21 OD1 GLU A 1 4.730 -0.042 2.196 0.00 0.00 -0.251 OA BRANCH 20 22 ATOM 22 OD2 GLU A 1 6.222 -1.412 1.208 0.00 0.00 -0.481 OA ATOM 23 HD2 GLU A 1 6.275 -2.188 0.618 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 6 19 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N GLU A 1 -1.143 -2.510 0.325 0.00 0.00 -0.301 N ATOM 25 H GLU A 1 -0.436 -1.886 -0.062 0.00 0.00 +0.150 HD ATOM 26 C GLU A 1 -2.463 -2.181 0.156 0.00 0.00 +0.231 C ATOM 27 O GLU A 1 -3.382 -2.844 0.632 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 CA GLU A 1 -2.717 -0.938 -0.725 0.00 0.00 +0.141 C BRANCH 28 29 ATOM 29 N GLU A 1 -1.946 0.233 -0.248 0.00 0.00 -0.305 NA ATOM 30 H GLU A 1 -0.939 0.042 -0.277 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C UNK A 0 -2.334 0.646 1.108 0.00 0.00 +0.086 C BRANCH 31 32 ATOM 32 C UNK A 0 -1.639 1.952 1.530 0.00 0.00 +0.050 C BRANCH 32 33 ATOM 33 C UNK A 0 -2.226 3.190 0.891 0.00 0.00 -0.045 A ATOM 34 C UNK A 0 -3.058 4.043 1.630 0.00 0.00 +0.025 A ATOM 35 C UNK A 0 -3.610 5.188 1.043 0.00 0.00 +0.060 A ATOM 36 CL UNK A 0 -4.627 6.183 2.024 0.00 0.00 -0.082 Cl ATOM 37 C UNK A 0 -3.332 5.489 -0.294 0.00 0.00 +0.059 A ATOM 38 CL UNK A 0 -3.978 6.883 -1.086 0.00 0.00 -0.082 Cl ATOM 39 C UNK A 0 -2.505 4.643 -1.037 0.00 0.00 +0.022 A ATOM 40 C UNK A 0 -1.957 3.501 -0.448 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 28 29 BRANCH 28 41 ATOM 41 CB GLU A 1 -2.334 -1.220 -2.185 0.00 0.00 +0.039 C BRANCH 41 42 ATOM 42 CG GLU A 1 -3.239 -2.281 -2.816 0.00 0.00 +0.122 C BRANCH 42 43 ATOM 43 CD GLU A 1 -2.851 -2.572 -4.247 0.00 0.00 +0.305 C ATOM 44 OE1 GLU A 1 -1.832 -2.186 -4.796 0.00 0.00 -0.251 OA BRANCH 43 45 ATOM 45 OE2 GLU A 1 -3.760 -3.354 -4.875 0.00 0.00 -0.481 OA ATOM 46 HE2 GLU A 1 -4.524 -3.596 -4.318 0.00 0.00 +0.295 HD ENDBRANCH 43 45 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 28 41 ENDBRANCH 26 28 ENDBRANCH 1 24 BRANCH 1 47 ATOM 47 CB GLU A 1 -0.286 -4.849 0.574 0.00 0.00 +0.141 C ATOM 48 CG2 GLU A 1 -1.494 -5.603 0.027 0.00 0.00 +0.040 C BRANCH 47 49 ATOM 49 OG1 GLU A 1 0.627 -4.585 -0.509 0.00 0.00 -0.390 OA ATOM 50 HG1 GLU A 1 0.683 -5.396 -1.047 0.00 0.00 +0.210 HD ENDBRANCH 47 49 ENDBRANCH 1 47 TORSDOF 22