REMARK Name = BDB059440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 -0.563 3.076 -0.662 0.00 0.00 +0.074 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 1 -1.840 2.662 -1.410 0.00 0.00 +0.185 C BRANCH 2 3 ATOM 3 N UNK A 1 -2.491 1.503 -0.798 0.00 0.00 -0.302 N ATOM 4 H UNK A 1 -1.919 0.665 -0.740 0.00 0.00 +0.150 HD ATOM 5 C UNK A 0 -3.856 1.319 -0.899 0.00 0.00 +0.217 C ATOM 6 O UNK A 0 -4.606 2.190 -1.317 0.00 0.00 -0.276 OA BRANCH 5 7 ATOM 7 C UNK A 0 -4.301 -0.027 -0.359 0.00 0.00 +0.142 C BRANCH 7 8 ATOM 8 C UNK A 0 -5.765 -0.418 -0.624 0.00 0.00 +0.178 C BRANCH 8 9 ATOM 9 O UNK A 0 -5.899 -0.685 -2.025 0.00 0.00 -0.377 OA ATOM 10 H UNK A 0 -6.659 -1.295 -2.116 0.00 0.00 +0.211 HD ENDBRANCH 8 9 BRANCH 8 11 ATOM 11 C UNK A 0 -5.997 -1.684 0.227 0.00 0.00 +0.338 C ATOM 12 O UNK A 0 -6.072 -1.727 1.446 0.00 0.00 -0.248 OA BRANCH 11 13 ATOM 13 O UNK A 0 -6.135 -2.805 -0.512 0.00 0.00 -0.479 OA ATOM 14 H UNK A 0 -6.277 -3.523 0.141 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 8 11 BRANCH 8 15 ATOM 15 C UNK A 0 -6.786 0.650 -0.200 0.00 0.00 +0.142 C BRANCH 15 16 ATOM 16 C UNK A 0 -8.207 0.125 -0.149 0.00 0.00 +0.217 C ATOM 17 N UNK A 1 -9.076 0.928 0.547 0.00 0.00 -0.302 N ATOM 18 H UNK A 1 -8.769 1.845 0.870 0.00 0.00 +0.150 HD ATOM 19 O UNK A 0 -8.579 -0.917 -0.684 0.00 0.00 -0.276 OA BRANCH 17 20 ATOM 20 C UNK A 1 -10.517 0.646 0.609 0.00 0.00 +0.192 C BRANCH 20 21 ATOM 21 C UNK A 1 -11.195 1.824 1.301 0.00 0.00 +0.326 C ATOM 22 O UNK A 1 -10.625 2.794 1.779 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 O UNK A 1 -12.536 1.732 1.321 0.00 0.00 -0.479 OA ATOM 24 H UNK A 1 -12.848 2.547 1.768 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 20 21 BRANCH 20 25 ATOM 25 C UNK A 1 -10.805 -0.657 1.349 0.00 0.00 +0.154 C BRANCH 25 26 ATOM 26 C UNK A 1 -11.601 -1.577 0.468 0.00 0.00 +0.307 C ATOM 27 O UNK A 1 -12.776 -1.848 0.662 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O UNK A 1 -10.901 -2.095 -0.565 0.00 0.00 -0.481 OA ATOM 29 H UNK A 1 -9.963 -1.781 -0.633 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 17 20 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 7 8 ENDBRANCH 5 7 ENDBRANCH 2 3 BRANCH 2 30 ATOM 30 C UNK A 1 -1.529 2.349 -2.873 0.00 0.00 +0.325 C ATOM 31 O UNK A 1 -1.316 1.244 -3.350 0.00 0.00 -0.249 OA BRANCH 30 32 ATOM 32 O UNK A 1 -1.438 3.452 -3.642 0.00 0.00 -0.479 OA ATOM 33 H UNK A 1 -1.285 3.104 -4.546 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 2 30 ENDBRANCH 1 2 BRANCH 1 34 ATOM 34 C UNK A 1 0.519 1.993 -0.596 0.00 0.00 +0.231 C BRANCH 34 35 ATOM 35 O UNK A 1 0.024 0.906 0.189 0.00 0.00 -0.488 OA BRANCH 35 38 ATOM 36 C UNK A 1 2.767 -1.591 -0.091 0.00 0.00 -0.019 A ATOM 37 C UNK A 1 2.052 -0.404 -0.316 0.00 0.00 +0.057 A ATOM 38 C UNK A 1 0.825 -0.196 0.314 0.00 0.00 +0.162 A ATOM 39 C UNK A 1 0.317 -1.193 1.155 0.00 0.00 +0.158 A ATOM 40 C UNK A 1 1.001 -2.381 1.371 0.00 0.00 +0.050 A ATOM 41 C UNK A 1 2.230 -2.580 0.745 0.00 0.00 +0.012 A BRANCH 36 48 ATOM 42 CA ARG A 2 7.859 -0.305 0.012 0.00 0.00 +0.160 C ATOM 43 C ARG A 2 7.583 -1.157 -1.231 0.00 0.00 +0.238 C ATOM 44 O ARG A 2 8.474 -1.551 -1.981 0.00 0.00 -0.273 OA ATOM 45 N UNK A 1 6.299 -1.625 -1.364 0.00 0.00 -0.280 N ATOM 46 H UNK A 1 6.162 -2.296 -2.110 0.00 0.00 +0.155 HD ATOM 47 C UNK A 1 5.222 -1.216 -0.599 0.00 0.00 +0.096 C ATOM 48 C UNK A 1 4.045 -1.848 -0.766 0.00 0.00 +0.036 C ATOM 49 C UNK A 1 5.425 -0.056 0.356 0.00 0.00 +0.259 C ATOM 50 O UNK A 1 4.557 0.438 1.062 0.00 0.00 -0.269 OA ATOM 51 N ARG A 2 6.683 0.491 0.335 0.00 0.00 -0.299 N ATOM 52 H ARG A 2 6.794 1.231 1.019 0.00 0.00 +0.150 HD BRANCH 42 53 ATOM 53 CB ARG A 2 8.262 -1.182 1.206 0.00 0.00 +0.033 C BRANCH 53 54 ATOM 54 CG ARG A 2 9.569 -1.972 1.033 0.00 0.00 +0.023 C BRANCH 54 55 ATOM 55 CD ARG A 2 10.782 -1.153 0.586 0.00 0.00 +0.115 C BRANCH 55 56 ATOM 56 NE ARG A 2 10.972 -0.013 1.467 0.00 0.00 -0.356 N ATOM 57 HE ARG A 2 10.934 -0.273 2.451 0.00 0.00 +0.162 HD BRANCH 56 60 ATOM 58 NH1 ARG A 2 12.599 1.305 2.361 0.00 0.00 -0.269 NA ATOM 59 HH1 ARG A 2 13.347 1.938 2.074 0.00 0.00 +0.190 HD ATOM 60 CZ ARG A 2 11.986 0.866 1.322 0.00 0.00 +0.188 C BRANCH 60 61 ATOM 61 NH2 ARG A 2 12.282 1.234 0.064 0.00 0.00 -0.370 N ATOM 62 HH21 ARG A 2 12.853 2.065 -0.019 0.00 0.00 +0.159 HD ATOM 63 HH22 ARG A 2 11.471 1.285 -0.540 0.00 0.00 +0.159 HD ENDBRANCH 60 61 ENDBRANCH 56 60 ENDBRANCH 55 56 ENDBRANCH 54 55 ENDBRANCH 53 54 ENDBRANCH 42 53 ENDBRANCH 36 48 BRANCH 39 64 ATOM 64 O UNK A 1 -0.877 -1.008 1.797 0.00 0.00 -0.503 OA ATOM 65 H UNK A 1 -1.094 -0.066 1.660 0.00 0.00 +0.292 HD ENDBRANCH 39 64 ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 28