REMARK Name = BDB055853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ALA A 8 -3.024 -0.065 -0.761 0.00 0.00 +0.193 C ATOM 2 CB ALA A 8 -3.434 0.184 -2.329 0.00 0.00 +0.027 C ENDROOT BRANCH 1 3 ATOM 3 N ALA A 8 -1.697 -0.900 -0.778 0.00 0.00 -0.203 NA ATOM 4 C CYS A 7 -0.486 -0.250 -0.567 0.00 0.00 +0.256 C ATOM 5 O CYS A 7 -0.414 0.901 -0.116 0.00 0.00 -0.272 OA BRANCH 4 6 ATOM 6 CA CYS A 7 0.950 -1.046 -1.122 0.00 0.00 +0.204 C BRANCH 6 7 ATOM 7 N CYS A 7 2.390 -0.558 -0.590 0.00 0.00 -0.202 NA ATOM 8 C GLY A 6 3.249 0.039 -1.487 0.00 0.00 +0.264 C ATOM 9 O GLY A 6 2.907 0.681 -2.487 0.00 0.00 -0.271 OA BRANCH 8 10 ATOM 10 CA GLY A 6 4.836 0.005 -1.292 0.00 0.00 +0.201 C BRANCH 10 11 ATOM 11 N GLY A 6 6.449 -0.027 -1.618 0.00 0.00 -0.194 NA ATOM 12 C GLN A 5 7.439 0.507 -0.799 0.00 0.00 +0.256 C ATOM 13 O GLN A 5 7.339 0.704 0.423 0.00 0.00 -0.272 OA BRANCH 12 14 ATOM 14 CA GLN A 5 8.907 1.018 -1.584 0.00 0.00 +0.193 C BRANCH 14 15 ATOM 15 N GLN A 5 10.318 0.361 -1.407 0.00 0.00 -0.203 NA ATOM 16 C THR A 4 11.391 1.164 -1.002 0.00 0.00 +0.258 C ATOM 17 O THR A 4 11.297 1.961 -0.048 0.00 0.00 -0.272 OA BRANCH 16 18 ATOM 18 CA THR A 4 12.945 1.036 -1.846 0.00 0.00 +0.217 C BRANCH 18 19 ATOM 19 N THR A 4 14.258 0.534 -0.919 0.00 0.00 -0.201 NA ATOM 20 C THR A 3 15.347 1.406 -0.715 0.00 0.00 +0.258 C ATOM 21 O THR A 3 15.355 2.620 -0.978 0.00 0.00 -0.272 OA BRANCH 20 22 ATOM 22 CA THR A 3 16.716 0.745 0.166 0.00 0.00 +0.217 C BRANCH 22 23 ATOM 23 N THR A 3 18.244 1.244 -0.298 0.00 0.00 -0.201 NA ATOM 24 C CYS A 2 19.309 0.346 -0.197 0.00 0.00 +0.256 C ATOM 25 O CYS A 2 19.219 -0.896 -0.130 0.00 0.00 -0.272 OA BRANCH 24 26 ATOM 26 CA CYS A 2 20.889 1.064 -0.188 0.00 0.00 +0.204 C BRANCH 26 27 ATOM 27 N CYS A 2 21.836 0.286 0.769 0.00 0.00 -0.202 NA ATOM 28 C THR A 1 23.019 0.857 1.150 0.00 0.00 +0.255 C ATOM 29 O THR A 1 23.357 2.048 1.144 0.00 0.00 -0.272 OA BRANCH 28 30 ATOM 30 CA THR A 1 24.018 -0.234 1.794 0.00 0.00 +0.212 C ATOM 31 N THR A 1 24.336 -1.225 0.723 0.00 0.00 -0.127 NA BRANCH 30 32 ATOM 32 CB THR A 1 25.405 0.368 2.403 0.00 0.00 +0.194 C ATOM 33 OG1 THR A 1 26.372 -0.553 2.634 0.00 0.00 -0.228 OA ATOM 34 CG2 THR A 1 25.249 0.997 3.884 0.00 0.00 +0.030 C ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 26 27 BRANCH 26 35 ATOM 35 CB CYS A 2 21.614 1.110 -1.571 0.00 0.00 +0.093 C ATOM 36 SG CYS A 2 22.739 1.273 -3.096 0.00 0.00 -0.080 S ENDBRANCH 26 35 ENDBRANCH 24 26 ENDBRANCH 22 23 BRANCH 22 37 ATOM 37 CB THR A 3 16.367 0.958 1.763 0.00 0.00 +0.196 C ATOM 38 OG1 THR A 3 16.812 2.085 2.344 0.00 0.00 -0.228 OA ATOM 39 CG2 THR A 3 16.887 -0.212 2.745 0.00 0.00 +0.030 C ENDBRANCH 22 37 ENDBRANCH 20 22 ENDBRANCH 18 19 BRANCH 18 40 ATOM 40 CB THR A 4 12.752 0.258 -3.300 0.00 0.00 +0.196 C ATOM 41 OG1 THR A 4 13.850 -0.240 -3.892 0.00 0.00 -0.228 OA ATOM 42 CG2 THR A 4 12.222 1.292 -4.470 0.00 0.00 +0.030 C ENDBRANCH 18 40 ENDBRANCH 16 18 ENDBRANCH 14 15 BRANCH 14 43 ATOM 43 CB GLN A 5 8.678 0.956 -3.056 0.00 0.00 +0.035 C BRANCH 43 44 ATOM 44 CG GLN A 5 8.513 0.676 -4.557 0.00 0.00 +0.090 C BRANCH 44 45 ATOM 45 CD GLN A 5 8.377 0.139 -5.878 0.00 0.00 +0.261 C ATOM 46 OE1 GLN A 5 8.037 0.779 -6.868 0.00 0.00 -0.272 OA ATOM 47 NE2 GLN A 5 8.679 -1.272 -6.086 0.00 0.00 -0.088 NA ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 14 43 ENDBRANCH 12 14 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 6 7 BRANCH 6 48 ATOM 48 CB CYS A 7 0.888 -2.573 -0.895 0.00 0.00 +0.093 C ATOM 49 SG CYS A 7 0.909 -4.458 -0.740 0.00 0.00 -0.080 S ENDBRANCH 6 48 ENDBRANCH 4 6 ENDBRANCH 1 3 BRANCH 1 51 ATOM 50 N PHE A 9 -5.615 0.035 -0.093 0.00 0.00 -0.202 NA ATOM 51 C ALA A 8 -4.407 -0.659 0.103 0.00 0.00 +0.255 C ATOM 52 O ALA A 8 -4.225 -1.475 1.024 0.00 0.00 -0.272 OA BRANCH 50 53 ATOM 53 CA PHE A 9 -7.011 -0.682 -0.048 0.00 0.00 +0.197 C BRANCH 53 55 ATOM 54 N ARG A 10 -9.575 -0.323 -0.119 0.00 0.00 -0.203 NA ATOM 55 C PHE A 9 -8.390 0.190 0.399 0.00 0.00 +0.256 C ATOM 56 O PHE A 9 -8.307 1.123 1.211 0.00 0.00 -0.272 OA BRANCH 54 57 ATOM 57 CA ARG A 10 -10.925 0.279 0.402 0.00 0.00 +0.193 C BRANCH 57 59 ATOM 58 N LEU A 11 -13.419 -0.322 0.765 0.00 0.00 -0.203 NA ATOM 59 C ARG A 10 -12.381 -0.320 -0.160 0.00 0.00 +0.255 C ATOM 60 O ARG A 10 -12.482 -0.715 -1.330 0.00 0.00 -0.272 OA BRANCH 58 61 ATOM 61 CA LEU A 11 -14.829 0.270 0.442 0.00 0.00 +0.192 C BRANCH 61 62 ATOM 62 C LEU A 11 -16.210 -0.439 1.048 0.00 0.00 +0.255 C ATOM 63 N CYS A 12 -17.351 0.344 0.894 0.00 0.00 -0.202 NA ATOM 64 O LEU A 11 -16.160 -1.567 1.548 0.00 0.00 -0.272 OA BRANCH 63 65 ATOM 65 CA CYS A 12 -18.643 0.049 1.735 0.00 0.00 +0.204 C BRANCH 65 66 ATOM 66 C CYS A 12 -20.069 -0.195 0.825 0.00 0.00 +0.256 C ATOM 67 N SER A 13 -21.185 -0.563 1.567 0.00 0.00 -0.198 NA ATOM 68 O CYS A 12 -20.059 -0.079 -0.406 0.00 0.00 -0.272 OA BRANCH 67 69 ATOM 69 CA SER A 13 -22.405 -1.147 0.783 0.00 0.00 +0.251 C BRANCH 69 70 ATOM 70 C SER A 13 -23.408 -0.188 -0.080 0.00 0.00 +0.381 C ATOM 71 OXT SER A 13 -23.757 -0.644 -1.238 0.00 0.00 -0.244 OA ATOM 72 O SER A 13 -23.913 0.880 0.430 0.00 0.00 -0.244 OA ENDBRANCH 69 70 BRANCH 69 73 ATOM 73 CB SER A 13 -23.283 -2.065 1.728 0.00 0.00 +0.209 C ATOM 74 OG SER A 13 -24.143 -2.951 2.482 0.00 0.00 -0.218 OA ENDBRANCH 69 73 ENDBRANCH 67 69 ENDBRANCH 65 66 BRANCH 65 75 ATOM 75 CB CYS A 12 -18.800 1.216 2.752 0.00 0.00 +0.093 C ATOM 76 SG CYS A 12 -18.971 2.533 4.092 0.00 0.00 -0.080 S ENDBRANCH 65 75 ENDBRANCH 63 65 ENDBRANCH 61 62 BRANCH 61 77 ATOM 77 CB LEU A 11 -15.014 0.485 -1.000 0.00 0.00 +0.025 C BRANCH 77 79 ATOM 78 CD1 LEU A 11 -15.012 2.230 -2.931 0.00 0.00 +0.000 C ATOM 79 CG LEU A 11 -15.157 0.760 -2.367 0.00 0.00 +0.002 C ATOM 80 CD2 LEU A 11 -15.683 -0.237 -3.450 0.00 0.00 +0.000 C ENDBRANCH 77 79 ENDBRANCH 61 77 ENDBRANCH 58 61 ENDBRANCH 57 59 BRANCH 57 81 ATOM 81 CB ARG A 10 -10.988 1.727 0.060 0.00 0.00 +0.027 C BRANCH 81 82 ATOM 82 CG ARG A 10 -11.214 3.232 -0.157 0.00 0.00 +0.028 C BRANCH 82 83 ATOM 83 CD ARG A 10 -11.624 4.726 -0.133 0.00 0.00 +0.129 C BRANCH 83 84 ATOM 84 NE ARG A 10 -12.022 5.989 0.092 0.00 0.00 -0.234 NA ATOM 85 CZ ARG A 10 -12.241 6.302 1.329 0.00 0.00 +0.284 C ATOM 86 NH2 ARG A 10 -12.711 7.665 1.611 0.00 0.00 -0.104 NA ATOM 87 NH1 ARG A 10 -12.001 5.424 2.476 0.00 0.00 -0.104 NA ENDBRANCH 83 84 ENDBRANCH 82 83 ENDBRANCH 81 82 ENDBRANCH 57 81 ENDBRANCH 54 57 ENDBRANCH 53 55 BRANCH 53 88 ATOM 88 CB PHE A 9 -7.035 -1.912 0.775 0.00 0.00 +0.050 C BRANCH 88 89 ATOM 89 CG PHE A 9 -7.185 -3.123 1.512 0.00 0.00 -0.037 A ATOM 90 CD2 PHE A 9 -6.104 -3.991 1.696 0.00 0.00 +0.004 A ATOM 91 CE2 PHE A 9 -6.276 -5.181 2.407 0.00 0.00 +0.000 A ATOM 92 CZ PHE A 9 -7.535 -5.502 2.926 0.00 0.00 +0.000 A ATOM 93 CE1 PHE A 9 -8.619 -4.655 2.719 0.00 0.00 +0.000 A ATOM 94 CD1 PHE A 9 -8.444 -3.459 2.011 0.00 0.00 +0.004 A ENDBRANCH 88 89 ENDBRANCH 53 88 ENDBRANCH 50 53 ENDBRANCH 1 51 TORSDOF 43