REMARK Name = BDB059454 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 2.002 0.612 1.905 0.00 0.00 -0.019 A ATOM 2 C UNK A 1 0.957 0.177 1.081 0.00 0.00 +0.057 A ATOM 3 C UNK A 1 -0.229 -0.323 1.626 0.00 0.00 +0.162 A ATOM 4 C UNK A 1 -0.350 -0.431 3.014 0.00 0.00 +0.158 A ATOM 5 C UNK A 1 0.679 0.011 3.845 0.00 0.00 +0.050 A ATOM 6 C UNK A 1 1.844 0.546 3.292 0.00 0.00 +0.012 A ENDROOT BRANCH 1 13 ATOM 7 CA ARG A 2 7.255 0.500 1.914 0.00 0.00 +0.160 C ATOM 8 C ARG A 2 6.785 1.458 0.812 0.00 0.00 +0.238 C ATOM 9 O ARG A 2 7.542 2.172 0.158 0.00 0.00 -0.273 OA ATOM 10 N UNK A 1 5.424 1.614 0.717 0.00 0.00 -0.280 N ATOM 11 H UNK A 1 5.122 2.340 0.083 0.00 0.00 +0.155 HD ATOM 12 C UNK A 1 4.484 0.867 1.402 0.00 0.00 +0.096 C ATOM 13 C UNK A 1 3.189 1.219 1.292 0.00 0.00 +0.036 C ATOM 14 C UNK A 1 4.965 -0.337 2.188 0.00 0.00 +0.259 C ATOM 15 O UNK A 1 4.250 -1.100 2.823 0.00 0.00 -0.269 OA ATOM 16 N ARG A 2 6.314 -0.588 2.108 0.00 0.00 -0.299 N ATOM 17 H ARG A 2 6.576 -1.330 2.748 0.00 0.00 +0.150 HD BRANCH 7 18 ATOM 18 CB ARG A 2 8.693 0.001 1.709 0.00 0.00 +0.033 C BRANCH 18 19 ATOM 19 CG ARG A 2 8.892 -1.143 0.706 0.00 0.00 +0.023 C BRANCH 19 20 ATOM 20 CD ARG A 2 8.488 -0.820 -0.730 0.00 0.00 +0.115 C BRANCH 20 21 ATOM 21 NE ARG A 2 8.836 -1.939 -1.591 0.00 0.00 -0.356 N ATOM 22 HE ARG A 2 8.030 -2.465 -1.906 0.00 0.00 +0.162 HD BRANCH 21 25 ATOM 23 NH1 ARG A 2 9.974 -2.719 -3.466 0.00 0.00 -0.269 NA ATOM 24 HH1 ARG A 2 9.120 -3.270 -3.562 0.00 0.00 +0.190 HD ATOM 25 CZ ARG A 2 9.898 -1.973 -2.424 0.00 0.00 +0.188 C BRANCH 25 26 ATOM 26 NH2 ARG A 2 10.938 -1.179 -2.116 0.00 0.00 -0.370 N ATOM 27 HH21 ARG A 2 11.711 -1.379 -2.745 0.00 0.00 +0.159 HD ATOM 28 HH22 ARG A 2 11.231 -1.279 -1.153 0.00 0.00 +0.159 HD ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 13 BRANCH 4 29 ATOM 29 O UNK A 1 -1.467 -0.981 3.578 0.00 0.00 -0.503 OA ATOM 30 H UNK A 1 -1.307 -1.116 4.524 0.00 0.00 +0.292 HD ENDBRANCH 4 29 BRANCH 3 31 ATOM 31 O UNK A 1 -1.165 -0.690 0.691 0.00 0.00 -0.488 OA BRANCH 31 32 ATOM 32 C UNK A 1 -2.530 -0.471 1.065 0.00 0.00 +0.231 C BRANCH 32 33 ATOM 33 C UNK A 1 -3.322 -0.231 -0.220 0.00 0.00 +0.074 C BRANCH 33 34 ATOM 34 C UNK A 1 -4.826 -0.117 0.017 0.00 0.00 +0.185 C BRANCH 34 35 ATOM 35 N UNK A 1 -5.520 0.073 -1.264 0.00 0.00 -0.302 N ATOM 36 H UNK A 1 -5.266 0.920 -1.759 0.00 0.00 +0.150 HD ATOM 37 C UNK A 0 -6.800 -0.401 -1.432 0.00 0.00 +0.217 C ATOM 38 O UNK A 0 -7.319 -1.225 -0.686 0.00 0.00 -0.276 OA BRANCH 37 39 ATOM 39 C UNK A 0 -7.500 0.144 -2.663 0.00 0.00 +0.142 C BRANCH 39 40 ATOM 40 C UNK A 0 -9.036 0.141 -2.520 0.00 0.00 +0.180 C BRANCH 40 41 ATOM 41 O UNK A 0 -9.471 -1.226 -2.452 0.00 0.00 -0.377 OA ATOM 42 H UNK A 0 -9.214 -1.549 -1.558 0.00 0.00 +0.211 HD ENDBRANCH 40 41 BRANCH 40 43 ATOM 43 C UNK A 0 -9.433 0.913 -1.234 0.00 0.00 +0.338 C ATOM 44 O UNK A 0 -9.916 0.370 -0.247 0.00 0.00 -0.248 OA BRANCH 43 45 ATOM 45 O UNK A 0 -9.139 2.233 -1.240 0.00 0.00 -0.479 OA ATOM 46 H UNK A 0 -8.877 2.630 -2.089 0.00 0.00 +0.295 HD ENDBRANCH 43 45 ENDBRANCH 40 43 BRANCH 40 47 ATOM 47 C UNK A 0 -9.647 0.718 -3.804 0.00 0.00 +0.167 C BRANCH 47 48 ATOM 48 C UNK A 0 -11.115 1.014 -3.683 0.00 0.00 +0.308 C ATOM 49 O UNK A 0 -11.626 1.742 -2.850 0.00 0.00 -0.251 OA BRANCH 48 50 ATOM 50 O UNK A 0 -11.852 0.470 -4.668 0.00 0.00 -0.481 OA ATOM 51 H UNK A 0 -12.774 0.741 -4.468 0.00 0.00 +0.295 HD ENDBRANCH 48 50 ENDBRANCH 47 48 ENDBRANCH 40 47 ENDBRANCH 39 40 ENDBRANCH 37 39 ENDBRANCH 34 35 BRANCH 34 52 ATOM 52 C UNK A 1 -5.161 1.115 0.856 0.00 0.00 +0.325 C ATOM 53 O UNK A 1 -5.367 2.239 0.416 0.00 0.00 -0.249 OA BRANCH 52 54 ATOM 54 O UNK A 1 -5.191 0.876 2.179 0.00 0.00 -0.479 OA ATOM 55 H UNK A 1 -5.480 1.722 2.582 0.00 0.00 +0.295 HD ENDBRANCH 52 54 ENDBRANCH 34 52 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 3 31 TORSDOF 23