REMARK Name = BDB065084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -2.183 0.733 0.068 0.00 0.00 +0.023 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 0 -1.627 -0.491 -0.662 0.00 0.00 +0.145 C BRANCH 2 3 ATOM 3 N UNK A 0 -0.347 -0.911 -0.134 0.00 0.00 -0.251 N ATOM 4 N UNK A 0 -0.281 -1.707 0.946 0.00 0.00 -0.065 NA ATOM 5 N UNK A 0 1.000 -1.963 1.173 0.00 0.00 -0.131 NA ATOM 6 C UNK A 0 1.745 -1.318 0.217 0.00 0.00 +0.120 A ATOM 7 C UNK A 0 0.891 -0.634 -0.625 0.00 0.00 +0.137 A BRANCH 6 8 ATOM 8 C UNK A 0 3.228 -1.454 0.174 0.00 0.00 +0.287 C BRANCH 8 9 ATOM 9 O UNK A 0 3.850 -0.216 -0.185 0.00 0.00 -0.486 OA BRANCH 9 10 ATOM 10 C UNK A 0 5.191 -0.249 -0.457 0.00 0.00 +0.121 A ATOM 11 C UNK A 0 5.719 0.955 -0.928 0.00 0.00 +0.046 A ATOM 12 C UNK A 0 7.072 1.061 -1.262 0.00 0.00 +0.010 A ATOM 13 C UNK A 0 7.920 -0.045 -1.133 0.00 0.00 -0.010 A ATOM 14 C UNK A 0 7.393 -1.246 -0.639 0.00 0.00 +0.010 A ATOM 15 C UNK A 0 6.037 -1.347 -0.302 0.00 0.00 +0.046 A BRANCH 13 16 ATOM 16 C UNK A 0 9.380 0.060 -1.489 0.00 0.00 +0.269 C BRANCH 16 17 ATOM 17 O UNK A 0 10.130 0.180 -0.280 0.00 0.00 -0.446 OA BRANCH 17 18 ATOM 18 C UNK A 0 11.448 0.394 -0.480 0.00 0.00 +0.401 C ATOM 19 N LEU A 1 12.072 0.502 0.726 0.00 0.00 -0.270 N ATOM 20 H LEU A 1 11.539 0.116 1.494 0.00 0.00 +0.153 HD ATOM 21 O UNK A 0 12.000 0.470 -1.567 0.00 0.00 -0.226 OA BRANCH 19 22 ATOM 22 CA LEU A 1 13.520 0.488 0.818 0.00 0.00 +0.162 C BRANCH 22 23 ATOM 23 C LEU A 1 13.976 -0.984 0.915 0.00 0.00 +0.234 C ATOM 24 N UNK A 2 15.255 -1.217 0.453 0.00 0.00 -0.309 N ATOM 25 H UNK A 2 15.716 -0.465 -0.043 0.00 0.00 +0.149 HD ATOM 26 O LEU A 1 13.287 -1.862 1.431 0.00 0.00 -0.274 OA BRANCH 24 27 ATOM 27 C UNK A 2 15.876 -2.550 0.439 0.00 0.00 +0.099 C BRANCH 27 28 ATOM 28 C UNK A 2 16.176 -3.075 1.860 0.00 0.00 +0.178 C BRANCH 28 29 ATOM 29 O UNK A 2 15.009 -3.621 2.477 0.00 0.00 -0.393 OA ATOM 30 H UNK A 2 14.251 -3.038 2.252 0.00 0.00 +0.209 HD ENDBRANCH 28 29 ENDBRANCH 27 28 BRANCH 27 31 ATOM 31 C UNK A 2 17.109 -2.553 -0.490 0.00 0.00 +0.037 C BRANCH 31 32 ATOM 32 C UNK A 2 18.262 -1.619 -0.084 0.00 0.00 +0.078 C ATOM 33 C UNK A 2 19.269 -2.315 0.813 0.00 0.00 +0.216 C ATOM 34 O UNK A 2 19.158 -2.507 2.010 0.00 0.00 -0.276 OA ATOM 35 N UNK A 2 20.327 -2.740 0.040 0.00 0.00 -0.315 N ATOM 36 H UNK A 2 21.085 -3.278 0.442 0.00 0.00 +0.149 HD ATOM 37 C UNK A 2 20.180 -2.389 -1.337 0.00 0.00 +0.105 C ATOM 38 C UNK A 2 19.156 -1.270 -1.292 0.00 0.00 +0.031 C ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 24 27 ENDBRANCH 22 23 BRANCH 22 39 ATOM 39 CB LEU A 1 14.029 1.244 2.056 0.00 0.00 +0.035 C BRANCH 39 40 ATOM 40 CG LEU A 1 13.993 2.785 1.987 0.00 0.00 -0.015 C ATOM 41 CD2 LEU A 1 12.584 3.356 1.843 0.00 0.00 +0.007 C ATOM 42 CD1 LEU A 1 14.906 3.338 0.892 0.00 0.00 +0.007 C ENDBRANCH 39 40 ENDBRANCH 22 39 ENDBRANCH 19 22 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 6 8 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 43 ATOM 43 C UNK A 0 -3.519 1.216 -0.506 0.00 0.00 +0.004 C BRANCH 43 44 ATOM 44 C UNK A 0 -3.372 1.880 -1.879 0.00 0.00 +0.028 C BRANCH 44 45 ATOM 45 C UNK A 0 -4.711 2.356 -2.434 0.00 0.00 +0.160 C BRANCH 45 46 ATOM 46 O UNK A 0 -5.516 1.215 -2.732 0.00 0.00 -0.371 OA BRANCH 46 47 ATOM 47 C UNK A 0 -6.801 1.581 -3.232 0.00 0.00 +0.255 C BRANCH 47 50 ATOM 48 N UNK A 0 -7.500 1.234 -0.937 0.00 0.00 -0.302 N ATOM 49 H UNK A 0 -6.670 0.650 -0.993 0.00 0.00 +0.150 HD ATOM 50 C UNK A 0 -7.851 1.800 -2.134 0.00 0.00 +0.239 C ATOM 51 O UNK A 0 -8.898 2.391 -2.361 0.00 0.00 -0.273 OA BRANCH 48 52 ATOM 52 C UNK A 0 -8.274 1.131 0.304 0.00 0.00 +0.164 C BRANCH 52 55 ATOM 53 C UNK A 0 -11.289 1.075 -0.903 0.00 0.00 +0.164 C ATOM 54 N UNK A 0 -10.489 -0.040 -0.390 0.00 0.00 -0.286 N ATOM 55 C UNK A 0 -9.284 -0.062 0.263 0.00 0.00 +0.237 C ATOM 56 O UNK A 0 -8.918 -1.136 0.769 0.00 0.00 -0.274 OA ATOM 57 C UNK A 0 -11.083 -1.311 -0.815 0.00 0.00 +0.140 C ATOM 58 C UNK A 0 -12.278 -0.944 -1.700 0.00 0.00 +0.134 C ATOM 59 C UNK A 0 -11.958 0.484 -2.141 0.00 0.00 +0.065 C BRANCH 53 62 ATOM 60 N UNK A 0 -12.376 0.884 1.306 0.00 0.00 -0.310 N ATOM 61 H UNK A 0 -11.755 0.090 1.408 0.00 0.00 +0.149 HD ATOM 62 C UNK A 0 -12.387 1.533 0.091 0.00 0.00 +0.234 C ATOM 63 O UNK A 0 -13.207 2.403 -0.195 0.00 0.00 -0.274 OA BRANCH 60 64 ATOM 64 C UNK A 0 -13.438 1.045 2.268 0.00 0.00 +0.139 C BRANCH 64 68 ATOM 65 C UNK A 0 -16.618 -1.771 1.409 0.00 0.00 -0.010 A ATOM 66 C UNK A 0 -15.476 -2.176 2.115 0.00 0.00 +0.009 A ATOM 67 C UNK A 0 -14.454 -1.266 2.406 0.00 0.00 +0.006 A ATOM 68 C UNK A 0 -14.553 0.068 1.995 0.00 0.00 -0.030 A ATOM 69 C UNK A 0 -15.685 0.470 1.276 0.00 0.00 +0.006 A ATOM 70 C UNK A 0 -16.710 -0.438 0.995 0.00 0.00 +0.009 A BRANCH 65 73 ATOM 71 C UNK A 0 -17.998 -2.441 -1.453 0.00 0.00 +0.067 C ATOM 72 C UNK A 0 -18.304 -3.019 -0.117 0.00 0.00 +0.053 A ATOM 73 C UNK A 0 -17.690 -2.719 1.095 0.00 0.00 +0.042 A ATOM 74 S UNK A 0 -18.417 -3.654 2.348 0.00 0.00 -0.075 S ATOM 75 C UNK A 0 -19.457 -4.372 1.198 0.00 0.00 +0.156 A ATOM 76 N UNK A 0 -19.314 -3.970 -0.044 0.00 0.00 -0.252 NA ENDBRANCH 65 73 ENDBRANCH 64 68 ENDBRANCH 60 64 ENDBRANCH 53 62 BRANCH 58 77 ATOM 77 O UNK A 0 -12.387 -1.805 -2.822 0.00 0.00 -0.390 OA ATOM 78 H UNK A 0 -13.114 -1.472 -3.378 0.00 0.00 +0.210 HD ENDBRANCH 58 77 ENDBRANCH 52 55 BRANCH 52 79 ATOM 79 C UNK A 0 -8.486 2.428 1.153 0.00 0.00 -0.011 C ATOM 80 C UNK A 0 -9.422 3.497 0.581 0.00 0.00 +0.013 C ATOM 81 C UNK A 0 -7.106 3.115 1.356 0.00 0.00 +0.013 C ATOM 82 C UNK A 0 -9.010 2.035 2.553 0.00 0.00 +0.013 C ENDBRANCH 52 79 ENDBRANCH 48 52 ENDBRANCH 47 50 ENDBRANCH 46 47 ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 1 43 TORSDOF 31