REMARK Name = BDB046869 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 1.737 0.248 3.549 0.00 0.00 -0.019 A ATOM 2 C UNK A 1 0.606 -0.313 2.937 0.00 0.00 +0.057 A ATOM 3 C UNK A 1 -0.663 0.154 3.274 0.00 0.00 +0.162 A ATOM 4 C UNK A 1 -0.800 1.152 4.241 0.00 0.00 +0.158 A ATOM 5 C UNK A 1 0.310 1.706 4.863 0.00 0.00 +0.050 A ATOM 6 C UNK A 1 1.584 1.253 4.515 0.00 0.00 +0.012 A ENDROOT BRANCH 1 13 ATOM 7 CA ARG A 2 5.238 0.570 -0.277 0.00 0.00 +0.160 C ATOM 8 C ARG A 2 3.725 0.868 -0.234 0.00 0.00 +0.238 C ATOM 9 O ARG A 2 3.117 1.449 -1.130 0.00 0.00 -0.273 OA ATOM 10 N UNK A 1 3.111 0.619 0.969 0.00 0.00 -0.280 N ATOM 11 H UNK A 1 2.156 0.949 1.047 0.00 0.00 +0.155 HD ATOM 12 C UNK A 1 3.694 -0.045 2.024 0.00 0.00 +0.096 C ATOM 13 C UNK A 1 3.084 -0.224 3.209 0.00 0.00 +0.036 C ATOM 14 C UNK A 1 5.063 -0.650 1.847 0.00 0.00 +0.259 C ATOM 15 O UNK A 1 5.673 -1.235 2.733 0.00 0.00 -0.269 OA ATOM 16 N ARG A 2 5.573 -0.562 0.577 0.00 0.00 -0.299 N ATOM 17 H ARG A 2 6.519 -0.922 0.546 0.00 0.00 +0.150 HD BRANCH 7 18 ATOM 18 CB ARG A 2 5.697 0.343 -1.724 0.00 0.00 +0.033 C BRANCH 18 19 ATOM 19 CG ARG A 2 7.215 0.233 -1.918 0.00 0.00 +0.023 C BRANCH 19 20 ATOM 20 CD ARG A 2 7.955 1.544 -1.647 0.00 0.00 +0.115 C BRANCH 20 21 ATOM 21 NE ARG A 2 9.379 1.373 -1.867 0.00 0.00 -0.356 N ATOM 22 HE ARG A 2 9.947 1.792 -1.137 0.00 0.00 +0.162 HD BRANCH 21 25 ATOM 23 NH1 ARG A 2 9.464 1.514 -4.238 0.00 0.00 -0.269 NA ATOM 24 HH1 ARG A 2 8.449 1.462 -4.169 0.00 0.00 +0.190 HD ATOM 25 CZ ARG A 2 9.986 1.473 -3.070 0.00 0.00 +0.188 C BRANCH 25 26 ATOM 26 NH2 ARG A 2 11.325 1.525 -2.942 0.00 0.00 -0.370 N ATOM 27 HH21 ARG A 2 11.744 1.467 -3.867 0.00 0.00 +0.159 HD ATOM 28 HH22 ARG A 2 11.688 0.785 -2.353 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 -2.043 1.611 4.580 0.00 0.00 -0.503 OA ATOM 30 H UNK A 1 -2.668 1.129 3.995 0.00 0.00 +0.292 HD ENDBRANCH 4 29 BRANCH 3 31 ATOM 31 O UNK A 1 -1.828 -0.340 2.760 0.00 0.00 -0.488 OA BRANCH 31 32 ATOM 32 C UNK A 1 -1.813 -0.592 1.357 0.00 0.00 +0.231 C BRANCH 32 33 ATOM 33 C UNK A 1 -3.221 -0.377 0.800 0.00 0.00 +0.074 C BRANCH 33 34 ATOM 34 C UNK A 1 -4.290 -1.188 1.550 0.00 0.00 +0.185 C BRANCH 34 35 ATOM 35 N UNK A 1 -5.294 -1.762 0.638 0.00 0.00 -0.302 N ATOM 36 H UNK A 1 -5.752 -2.605 0.966 0.00 0.00 +0.150 HD ATOM 37 C UNK A 0 -6.016 -0.970 -0.225 0.00 0.00 +0.217 C ATOM 38 O UNK A 0 -5.837 0.238 -0.357 0.00 0.00 -0.276 OA BRANCH 37 39 ATOM 39 C UNK A 0 -7.114 -1.700 -0.968 0.00 0.00 +0.142 C BRANCH 39 40 ATOM 40 C UNK A 0 -7.500 -0.959 -2.265 0.00 0.00 +0.180 C BRANCH 40 41 ATOM 41 O UNK A 0 -8.016 0.339 -1.938 0.00 0.00 -0.377 OA ATOM 42 H UNK A 0 -7.340 0.781 -1.373 0.00 0.00 +0.211 HD ENDBRANCH 40 41 BRANCH 40 43 ATOM 43 C UNK A 0 -6.262 -0.866 -3.179 0.00 0.00 +0.338 C ATOM 44 O UNK A 0 -5.411 -1.740 -3.275 0.00 0.00 -0.248 OA BRANCH 43 45 ATOM 45 O UNK A 0 -6.216 0.285 -3.887 0.00 0.00 -0.479 OA ATOM 46 H UNK A 0 -7.066 0.782 -3.787 0.00 0.00 +0.295 HD ENDBRANCH 43 45 ENDBRANCH 40 43 BRANCH 40 47 ATOM 47 C UNK A 0 -8.598 -1.753 -2.987 0.00 0.00 +0.167 C BRANCH 47 48 ATOM 48 C UNK A 0 -9.037 -1.109 -4.276 0.00 0.00 +0.308 C ATOM 49 O UNK A 0 -8.762 0.010 -4.677 0.00 0.00 -0.251 OA BRANCH 48 50 ATOM 50 O UNK A 0 -9.830 -1.925 -4.997 0.00 0.00 -0.481 OA ATOM 51 H UNK A 0 -10.059 -1.404 -5.797 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 -5.050 -0.440 2.661 0.00 0.00 +0.325 C ATOM 53 O UNK A 1 -6.159 -0.750 3.080 0.00 0.00 -0.249 OA BRANCH 52 54 ATOM 54 O UNK A 1 -4.396 0.589 3.235 0.00 0.00 -0.479 OA ATOM 55 H UNK A 1 -5.058 0.943 3.870 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