REMARK Name = BDB055852 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C CYS A 7 2.792 -0.137 1.090 0.00 0.00 +0.241 C ATOM 2 N PRO A 8 1.631 -0.961 1.208 0.00 0.00 -0.277 N ATOM 3 CA PRO A 8 0.294 -0.744 0.393 0.00 0.00 +0.172 C ATOM 4 CB PRO A 8 0.051 -2.201 0.138 0.00 0.00 +0.025 C ATOM 5 CG PRO A 8 0.744 -3.402 0.809 0.00 0.00 +0.023 C ATOM 6 CD PRO A 8 1.619 -2.309 1.422 0.00 0.00 +0.094 C ATOM 7 O CYS A 7 2.710 0.990 0.576 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 8 ATOM 8 C PRO A 8 -1.101 -0.077 0.971 0.00 0.00 +0.254 C ATOM 9 N VAL A 9 -2.216 -0.461 0.273 0.00 0.00 -0.203 NA ATOM 10 O PRO A 8 -1.054 0.757 1.882 0.00 0.00 -0.272 OA BRANCH 9 11 ATOM 11 CA VAL A 9 -3.600 0.216 0.623 0.00 0.00 +0.192 C BRANCH 11 12 ATOM 12 C VAL A 9 -4.897 -0.367 -0.176 0.00 0.00 +0.256 C ATOM 13 N SER A 10 -6.106 -0.017 0.393 0.00 0.00 -0.200 NA ATOM 14 O VAL A 9 -4.726 -0.975 -1.239 0.00 0.00 -0.272 OA BRANCH 13 15 ATOM 15 CA SER A 10 -7.424 -0.727 -0.128 0.00 0.00 +0.225 C BRANCH 15 16 ATOM 16 C SER A 10 -8.920 0.144 0.112 0.00 0.00 +0.258 C ATOM 17 N TYR A 11 -9.736 0.183 -1.003 0.00 0.00 -0.202 NA ATOM 18 O SER A 10 -9.151 0.706 1.191 0.00 0.00 -0.272 OA BRANCH 17 19 ATOM 19 CA TYR A 11 -11.283 0.375 -1.037 0.00 0.00 +0.197 C BRANCH 19 20 ATOM 20 C TYR A 11 -12.168 1.798 -0.991 0.00 0.00 +0.256 C ATOM 21 N CYS A 12 -13.014 1.980 -2.087 0.00 0.00 -0.202 NA ATOM 22 O TYR A 11 -12.145 2.526 0.010 0.00 0.00 -0.272 OA BRANCH 21 23 ATOM 23 CA CYS A 12 -14.009 3.187 -2.114 0.00 0.00 +0.204 C BRANCH 23 24 ATOM 24 C CYS A 12 -15.586 2.761 -2.424 0.00 0.00 +0.256 C ATOM 25 N PHE A 13 -16.528 3.614 -1.859 0.00 0.00 -0.200 NA ATOM 26 O CYS A 12 -15.861 1.808 -3.169 0.00 0.00 -0.272 OA BRANCH 25 27 ATOM 27 CA PHE A 13 -17.984 3.254 -2.095 0.00 0.00 +0.222 C BRANCH 27 28 ATOM 28 C PHE A 13 -19.094 4.396 -2.180 0.00 0.00 +0.379 C ATOM 29 OXT PHE A 13 -19.880 4.357 -3.205 0.00 0.00 -0.244 OA ATOM 30 O PHE A 13 -19.280 5.196 -1.199 0.00 0.00 -0.244 OA ENDBRANCH 27 28 BRANCH 27 31 ATOM 31 CB PHE A 13 -18.396 2.293 -1.032 0.00 0.00 +0.052 C BRANCH 31 32 ATOM 32 CG PHE A 13 -18.735 1.332 -0.033 0.00 0.00 -0.037 A ATOM 33 CD2 PHE A 13 -20.065 1.164 0.353 0.00 0.00 +0.004 A ATOM 34 CE2 PHE A 13 -20.404 0.193 1.300 0.00 0.00 +0.000 A ATOM 35 CZ PHE A 13 -19.406 -0.619 1.850 0.00 0.00 +0.000 A ATOM 36 CE1 PHE A 13 -18.075 -0.445 1.468 0.00 0.00 +0.000 A ATOM 37 CD1 PHE A 13 -17.741 0.533 0.528 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 25 27 ENDBRANCH 23 24 BRANCH 23 38 ATOM 38 CB CYS A 12 -13.593 4.225 -3.208 0.00 0.00 +0.093 C ATOM 39 SG CYS A 12 -13.213 5.592 -4.469 0.00 0.00 -0.080 S ENDBRANCH 23 38 ENDBRANCH 21 23 ENDBRANCH 19 20 BRANCH 19 40 ATOM 40 CB TYR A 11 -12.032 -0.730 -0.294 0.00 0.00 +0.050 C BRANCH 40 41 ATOM 41 CG TYR A 11 -12.880 -1.792 0.233 0.00 0.00 -0.037 A ATOM 42 CD2 TYR A 11 -12.369 -2.881 0.931 0.00 0.00 +0.008 A ATOM 43 CE2 TYR A 11 -13.222 -3.937 1.379 0.00 0.00 +0.051 A ATOM 44 CZ TYR A 11 -14.623 -3.986 1.159 0.00 0.00 +0.179 A ATOM 45 OH TYR A 11 -15.383 -4.940 1.569 0.00 0.00 -0.288 OA ATOM 46 CE1 TYR A 11 -15.088 -2.857 0.442 0.00 0.00 +0.051 A ATOM 47 CD1 TYR A 11 -14.254 -1.789 -0.005 0.00 0.00 +0.008 A ENDBRANCH 40 41 ENDBRANCH 19 40 ENDBRANCH 17 19 ENDBRANCH 15 16 BRANCH 15 48 ATOM 48 CB SER A 10 -7.506 -2.128 0.532 0.00 0.00 +0.207 C ATOM 49 OG SER A 10 -7.548 -3.459 1.101 0.00 0.00 -0.218 OA ENDBRANCH 15 48 ENDBRANCH 13 15 ENDBRANCH 11 12 BRANCH 11 50 ATOM 50 CB VAL A 9 -3.594 1.702 0.263 0.00 0.00 +0.023 C ATOM 51 CG2 VAL A 9 -3.769 2.905 1.327 0.00 0.00 +0.002 C ATOM 52 CG1 VAL A 9 -2.981 2.369 -1.071 0.00 0.00 +0.002 C ENDBRANCH 11 50 ENDBRANCH 9 11 ENDBRANCH 3 8 BRANCH 1 53 ATOM 53 CA CYS A 7 4.244 -0.819 1.503 0.00 0.00 +0.203 C BRANCH 53 55 ATOM 54 C PRO A 6 6.599 -0.565 0.798 0.00 0.00 +0.254 C ATOM 55 N CYS A 7 5.445 0.056 1.177 0.00 0.00 -0.202 NA ATOM 56 O PRO A 6 6.690 -1.504 0.000 0.00 0.00 -0.272 OA BRANCH 54 59 ATOM 57 C ARG A 5 10.434 -0.565 0.839 0.00 0.00 +0.240 C ATOM 58 N PRO A 6 9.258 0.236 0.644 0.00 0.00 -0.277 N ATOM 59 CA PRO A 6 7.936 0.060 1.469 0.00 0.00 +0.172 C ATOM 60 CB PRO A 6 7.747 1.532 1.705 0.00 0.00 +0.025 C ATOM 61 CG PRO A 6 8.448 2.714 1.024 0.00 0.00 +0.023 C ATOM 62 CD PRO A 6 9.244 1.577 0.391 0.00 0.00 +0.094 C ATOM 63 O ARG A 5 10.384 -1.651 1.421 0.00 0.00 -0.273 OA BRANCH 57 64 ATOM 64 CA ARG A 5 11.788 0.093 0.298 0.00 0.00 +0.191 C BRANCH 64 66 ATOM 65 C GLY A 4 13.981 -1.072 0.266 0.00 0.00 +0.264 C ATOM 66 N ARG A 5 13.137 -0.240 0.915 0.00 0.00 -0.203 NA ATOM 67 O GLY A 4 13.675 -1.972 -0.513 0.00 0.00 -0.271 OA BRANCH 65 68 ATOM 68 CA GLY A 4 15.463 -0.932 0.535 0.00 0.00 +0.201 C BRANCH 68 70 ATOM 69 C MET A 3 17.920 -0.228 0.600 0.00 0.00 +0.256 C ATOM 70 N GLY A 4 16.970 -1.199 0.706 0.00 0.00 -0.194 NA ATOM 71 O MET A 3 17.738 0.987 0.480 0.00 0.00 -0.272 OA BRANCH 69 72 ATOM 72 CA MET A 3 19.424 -0.890 0.590 0.00 0.00 +0.193 C BRANCH 72 73 ATOM 73 N MET A 3 20.601 0.083 0.576 0.00 0.00 -0.203 NA ATOM 74 C CYS A 2 21.875 -0.439 0.556 0.00 0.00 +0.256 C ATOM 75 O CYS A 2 22.220 -1.543 1.002 0.00 0.00 -0.272 OA BRANCH 74 76 ATOM 76 CA CYS A 2 22.982 0.600 -0.004 0.00 0.00 +0.204 C BRANCH 76 77 ATOM 77 N CYS A 2 23.690 1.232 1.171 0.00 0.00 -0.202 NA ATOM 78 C GLY A 1 24.248 2.433 1.013 0.00 0.00 +0.261 C ATOM 79 O GLY A 1 24.885 3.038 1.881 0.00 0.00 -0.272 OA BRANCH 78 80 ATOM 80 CA GLY A 1 24.139 3.130 -0.261 0.00 0.00 +0.196 C ATOM 81 N GLY A 1 24.044 3.874 -1.520 0.00 0.00 -0.121 NA ENDBRANCH 78 80 ENDBRANCH 76 77 BRANCH 76 82 ATOM 82 CB CYS A 2 24.051 -0.022 -0.912 0.00 0.00 +0.093 C ATOM 83 SG CYS A 2 25.439 -0.585 -2.039 0.00 0.00 -0.080 S ENDBRANCH 76 82 ENDBRANCH 74 76 ENDBRANCH 72 73 BRANCH 72 84 ATOM 84 CB MET A 3 19.552 -1.831 1.735 0.00 0.00 +0.037 C BRANCH 84 85 ATOM 85 CG MET A 3 19.872 -2.748 2.930 0.00 0.00 +0.059 C BRANCH 85 87 ATOM 86 CE MET A 3 20.077 -5.274 3.862 0.00 0.00 +0.069 C ATOM 87 SD MET A 3 20.403 -3.554 4.311 0.00 0.00 -0.139 S ENDBRANCH 85 87 ENDBRANCH 84 85 ENDBRANCH 72 84 ENDBRANCH 69 72 ENDBRANCH 68 70 ENDBRANCH 65 68 ENDBRANCH 64 66 BRANCH 64 88 ATOM 88 CB ARG A 5 11.840 0.068 -1.185 0.00 0.00 +0.027 C BRANCH 88 89 ATOM 89 CG ARG A 5 12.186 -0.031 -2.679 0.00 0.00 +0.028 C BRANCH 89 90 ATOM 90 CD ARG A 5 12.832 -0.244 -4.063 0.00 0.00 +0.129 C BRANCH 90 91 ATOM 91 NE ARG A 5 13.496 -0.550 -5.189 0.00 0.00 -0.234 NA ATOM 92 CZ ARG A 5 14.780 -0.672 -5.068 0.00 0.00 +0.284 C ATOM 93 NH2 ARG A 5 15.543 -0.477 -3.844 0.00 0.00 -0.104 NA ATOM 94 NH1 ARG A 5 15.536 -0.981 -6.286 0.00 0.00 -0.104 NA ENDBRANCH 90 91 ENDBRANCH 89 90 ENDBRANCH 88 89 ENDBRANCH 64 88 ENDBRANCH 57 64 ENDBRANCH 54 59 ENDBRANCH 53 55 BRANCH 53 95 ATOM 95 CB CYS A 7 4.324 -1.147 2.980 0.00 0.00 +0.093 C ATOM 96 SG CYS A 7 4.540 -1.612 4.764 0.00 0.00 -0.080 S ENDBRANCH 53 95 ENDBRANCH 1 53 TORSDOF 39