REMARK Name = BDB065083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 1.141 -2.087 0.878 0.00 0.00 +0.023 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 0 0.972 -3.428 0.160 0.00 0.00 +0.145 C BRANCH 2 3 ATOM 3 N UNK A 0 -0.327 -3.595 -0.451 0.00 0.00 -0.251 N ATOM 4 N UNK A 0 -0.503 -3.364 -1.762 0.00 0.00 -0.065 NA ATOM 5 N UNK A 0 -1.777 -3.599 -2.043 0.00 0.00 -0.131 NA ATOM 6 C UNK A 0 -2.403 -3.995 -0.889 0.00 0.00 +0.120 A ATOM 7 C UNK A 0 -1.483 -4.003 0.140 0.00 0.00 +0.137 A BRANCH 6 8 ATOM 8 C UNK A 0 -3.845 -4.357 -0.887 0.00 0.00 +0.287 C BRANCH 8 9 ATOM 9 O UNK A 0 -4.512 -4.040 0.343 0.00 0.00 -0.486 OA BRANCH 9 10 ATOM 10 C UNK A 0 -5.002 -2.775 0.506 0.00 0.00 +0.121 A ATOM 11 C UNK A 0 -4.805 -1.695 -0.356 0.00 0.00 +0.046 A ATOM 12 C UNK A 0 -5.368 -0.448 -0.060 0.00 0.00 +0.010 A ATOM 13 C UNK A 0 -6.119 -0.256 1.106 0.00 0.00 -0.010 A ATOM 14 C UNK A 0 -6.312 -1.342 1.968 0.00 0.00 +0.010 A ATOM 15 C UNK A 0 -5.755 -2.588 1.668 0.00 0.00 +0.046 A BRANCH 13 16 ATOM 16 C UNK A 0 -6.723 1.088 1.416 0.00 0.00 +0.269 C BRANCH 16 17 ATOM 17 O UNK A 0 -8.152 1.039 1.329 0.00 0.00 -0.446 OA BRANCH 17 18 ATOM 18 C UNK A 0 -8.663 1.295 0.103 0.00 0.00 +0.401 C ATOM 19 N LEU A 1 -10.024 1.266 0.078 0.00 0.00 -0.270 N ATOM 20 H LEU A 1 -10.408 1.565 -0.810 0.00 0.00 +0.153 HD ATOM 21 O UNK A 0 -8.015 1.541 -0.905 0.00 0.00 -0.226 OA BRANCH 19 22 ATOM 22 CA LEU A 1 -10.894 1.288 1.252 0.00 0.00 +0.162 C BRANCH 22 23 ATOM 23 C LEU A 1 -12.271 0.670 0.930 0.00 0.00 +0.234 C ATOM 24 N UNK A 2 -12.219 -0.379 0.040 0.00 0.00 -0.304 N ATOM 25 H UNK A 2 -11.314 -0.676 -0.324 0.00 0.00 +0.149 HD ATOM 26 O LEU A 1 -13.313 1.001 1.487 0.00 0.00 -0.274 OA BRANCH 24 27 ATOM 27 C UNK A 2 -13.395 -1.159 -0.338 0.00 0.00 +0.137 C BRANCH 27 28 ATOM 28 C UNK A 2 -12.897 -2.465 -0.947 0.00 0.00 +0.245 C ATOM 29 O UNK A 2 -11.792 -2.588 -1.473 0.00 0.00 -0.299 OA ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C UNK A 2 -14.273 -0.376 -1.329 0.00 0.00 +0.042 C BRANCH 30 31 ATOM 31 C UNK A 2 -15.496 -1.131 -1.864 0.00 0.00 +0.079 C ATOM 32 C UNK A 2 -16.390 -1.612 -0.740 0.00 0.00 +0.216 C ATOM 33 O UNK A 2 -16.154 -2.556 -0.005 0.00 0.00 -0.276 OA ATOM 34 N UNK A 2 -17.475 -0.770 -0.653 0.00 0.00 -0.315 N ATOM 35 H UNK A 2 -18.123 -0.840 0.125 0.00 0.00 +0.149 HD ATOM 36 C UNK A 2 -17.396 0.320 -1.576 0.00 0.00 +0.105 C ATOM 37 C UNK A 2 -16.445 -0.203 -2.641 0.00 0.00 +0.031 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 24 27 ENDBRANCH 22 23 BRANCH 22 38 ATOM 38 CB LEU A 1 -10.987 2.686 1.896 0.00 0.00 +0.035 C BRANCH 38 39 ATOM 39 CG LEU A 1 -11.199 3.882 0.940 0.00 0.00 -0.015 C ATOM 40 CD2 LEU A 1 -11.177 5.187 1.746 0.00 0.00 +0.007 C ATOM 41 CD1 LEU A 1 -12.496 3.800 0.137 0.00 0.00 +0.007 C ENDBRANCH 38 39 ENDBRANCH 22 38 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 42 ATOM 42 C UNK A 0 1.168 -0.900 -0.087 0.00 0.00 +0.004 C BRANCH 42 43 ATOM 43 C UNK A 0 1.268 0.454 0.623 0.00 0.00 +0.028 C BRANCH 43 44 ATOM 44 C UNK A 0 2.586 0.700 1.361 0.00 0.00 +0.160 C BRANCH 44 45 ATOM 45 O UNK A 0 3.748 0.531 0.551 0.00 0.00 -0.371 OA BRANCH 45 46 ATOM 46 C UNK A 0 3.842 1.485 -0.508 0.00 0.00 +0.255 C BRANCH 46 49 ATOM 47 N UNK A 0 6.232 1.337 -0.042 0.00 0.00 -0.302 N ATOM 48 H UNK A 0 5.900 0.662 0.645 0.00 0.00 +0.150 HD ATOM 49 C UNK A 0 5.283 1.659 -0.991 0.00 0.00 +0.239 C ATOM 50 O UNK A 0 5.560 2.098 -2.105 0.00 0.00 -0.273 OA BRANCH 47 51 ATOM 51 C UNK A 0 7.652 1.298 -0.393 0.00 0.00 +0.164 C BRANCH 51 54 ATOM 52 C UNK A 0 8.787 -1.651 -2.668 0.00 0.00 +0.164 C ATOM 53 N UNK A 0 8.577 -0.316 -2.092 0.00 0.00 -0.286 N ATOM 54 C UNK A 0 7.921 -0.142 -0.896 0.00 0.00 +0.237 C ATOM 55 O UNK A 0 7.568 -1.123 -0.230 0.00 0.00 -0.274 OA ATOM 56 C UNK A 0 8.931 0.724 -3.050 0.00 0.00 +0.140 C ATOM 57 C UNK A 0 9.589 -0.011 -4.218 0.00 0.00 +0.134 C ATOM 58 C UNK A 0 8.933 -1.389 -4.166 0.00 0.00 +0.065 C BRANCH 52 61 ATOM 59 N UNK A 0 9.916 -2.603 -0.710 0.00 0.00 -0.310 N ATOM 60 H UNK A 0 9.113 -2.214 -0.216 0.00 0.00 +0.149 HD ATOM 61 C UNK A 0 10.033 -2.330 -2.057 0.00 0.00 +0.234 C ATOM 62 O UNK A 0 11.024 -2.631 -2.716 0.00 0.00 -0.274 OA BRANCH 59 63 ATOM 63 C UNK A 0 10.985 -3.188 0.058 0.00 0.00 +0.139 C BRANCH 63 67 ATOM 64 C UNK A 0 13.663 -0.203 1.695 0.00 0.00 -0.010 A ATOM 65 C UNK A 0 12.570 -0.662 2.443 0.00 0.00 +0.009 A ATOM 66 C UNK A 0 11.694 -1.617 1.915 0.00 0.00 +0.006 A ATOM 67 C UNK A 0 11.904 -2.139 0.632 0.00 0.00 -0.030 A ATOM 68 C UNK A 0 12.986 -1.663 -0.122 0.00 0.00 +0.006 A ATOM 69 C UNK A 0 13.856 -0.706 0.404 0.00 0.00 +0.009 A BRANCH 64 72 ATOM 70 C UNK A 0 14.448 2.739 0.599 0.00 0.00 +0.067 C ATOM 71 C UNK A 0 14.974 2.028 1.793 0.00 0.00 +0.053 A ATOM 72 C UNK A 0 14.603 0.770 2.249 0.00 0.00 +0.042 A ATOM 73 S UNK A 0 15.490 0.389 3.670 0.00 0.00 -0.075 S ATOM 74 C UNK A 0 16.290 1.899 3.561 0.00 0.00 +0.156 A ATOM 75 N UNK A 0 15.943 2.666 2.555 0.00 0.00 -0.252 NA ENDBRANCH 64 72 ENDBRANCH 63 67 ENDBRANCH 59 63 ENDBRANCH 52 61 BRANCH 57 76 ATOM 76 O UNK A 0 9.362 0.631 -5.460 0.00 0.00 -0.390 OA ATOM 77 H UNK A 0 8.402 0.649 -5.625 0.00 0.00 +0.210 HD ENDBRANCH 57 76 ENDBRANCH 51 54 BRANCH 51 78 ATOM 78 C UNK A 0 8.570 1.713 0.798 0.00 0.00 -0.011 C ATOM 79 C UNK A 0 10.052 1.667 0.375 0.00 0.00 +0.013 C ATOM 80 C UNK A 0 8.243 3.168 1.194 0.00 0.00 +0.013 C ATOM 81 C UNK A 0 8.393 0.821 2.042 0.00 0.00 +0.013 C ENDBRANCH 51 78 ENDBRANCH 47 51 ENDBRANCH 46 49 ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 1 42 TORSDOF 30