REMARK Name = BDB049947 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.902 2.505 -1.532 0.00 0.00 +0.187 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.636 0.822 -0.957 0.00 0.00 +0.231 C ATOM 3 N LIG 1 -2.184 2.117 -0.937 0.00 0.00 -0.301 N ATOM 4 H LIG 1 -2.614 2.802 -0.323 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -2.009 -0.090 -1.494 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA LIG 1 -3.982 0.597 -0.233 0.00 0.00 +0.141 C BRANCH 6 7 ATOM 7 N LIG 1 -4.654 -0.616 -0.753 0.00 0.00 -0.306 NA ATOM 8 H LIG 1 -3.918 -1.306 -0.952 0.00 0.00 +0.123 HD BRANCH 7 10 ATOM 9 C LIG 1 -5.965 -1.625 -2.548 0.00 0.00 +0.020 C ATOM 10 C ACE A 0 -5.347 -0.341 -2.016 0.00 0.00 +0.078 C ENDBRANCH 7 10 ENDBRANCH 6 7 BRANCH 6 11 ATOM 11 CB LIG 1 -3.767 0.478 1.282 0.00 0.00 +0.039 C BRANCH 11 12 ATOM 12 CG LIG 1 -2.970 -0.753 1.710 0.00 0.00 +0.122 C BRANCH 12 13 ATOM 13 CD LIG 1 -2.857 -0.793 3.211 0.00 0.00 +0.305 C ATOM 14 OE1 LIG 1 -1.929 -0.308 3.838 0.00 0.00 -0.251 OA BRANCH 13 15 ATOM 15 OE2 LIG 1 -3.914 -1.386 3.810 0.00 0.00 -0.481 OA ATOM 16 HE2 LIG 1 -4.592 -1.704 3.182 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 17 ATOM 17 C LIG 1 0.194 2.257 -0.479 0.00 0.00 +0.236 C ATOM 18 N LIG 1 0.590 0.946 -0.369 0.00 0.00 -0.303 N ATOM 19 H LIG 1 0.115 0.227 -0.919 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 0.633 3.151 0.243 0.00 0.00 -0.274 OA BRANCH 18 21 ATOM 21 CA LIG 1 1.615 0.509 0.570 0.00 0.00 +0.156 C ATOM 22 CB LIG 1 1.017 0.221 1.940 0.00 0.00 +0.038 C BRANCH 21 23 ATOM 23 C LIG 1 2.306 -0.744 -0.003 0.00 0.00 +0.234 C ATOM 24 N LIG 1 3.483 -1.093 0.630 0.00 0.00 -0.301 N ATOM 25 H LIG 1 3.601 -0.752 1.577 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 1.845 -1.380 -0.950 0.00 0.00 -0.274 OA BRANCH 24 27 ATOM 27 CA LIG 1 4.146 -2.363 0.320 0.00 0.00 +0.184 C BRANCH 27 28 ATOM 28 CB LIG 1 5.682 -2.272 0.439 0.00 0.00 +0.014 C ATOM 29 CG2 LIG 1 6.259 -1.363 -0.651 0.00 0.00 +0.009 C ATOM 30 CG1 LIG 1 6.164 -1.803 1.816 0.00 0.00 +0.009 C ENDBRANCH 27 28 BRANCH 27 31 ATOM 31 C LIG 1 3.585 -3.444 1.250 0.00 0.00 +0.326 C ATOM 32 O LIG 1 2.994 -3.256 2.304 0.00 0.00 -0.249 OA BRANCH 31 33 ATOM 33 OXT LIG 1 3.835 -4.697 0.820 0.00 0.00 -0.479 OA ATOM 34 HXT LIG 1 3.409 -5.271 1.492 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 27 31 ENDBRANCH 24 27 ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 1 17 BRANCH 1 35 ATOM 35 CB LIG 1 -0.966 3.986 -1.960 0.00 0.00 +0.141 C ATOM 36 CG2 LIG 1 0.306 4.483 -2.635 0.00 0.00 +0.040 C BRANCH 35 37 ATOM 37 OG1 LIG 1 -1.284 4.829 -0.844 0.00 0.00 -0.390 OA ATOM 38 HG1 LIG 1 -0.549 4.730 -0.200 0.00 0.00 +0.210 HD ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 17