REMARK Name = BDB055850 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA PRO A 8 -1.573 -0.305 -0.345 0.00 0.00 +0.171 C ATOM 2 N PRO A 8 -0.263 -0.210 -1.183 0.00 0.00 -0.277 N ATOM 3 C CYS A 7 0.922 -0.946 -0.850 0.00 0.00 +0.241 C ATOM 4 O CYS A 7 0.828 -1.905 -0.063 0.00 0.00 -0.273 OA ATOM 5 CD PRO A 8 -0.296 1.078 -1.641 0.00 0.00 +0.094 C ATOM 6 CG PRO A 8 -1.175 2.265 -1.229 0.00 0.00 +0.023 C ATOM 7 CB PRO A 8 -1.863 1.173 -0.391 0.00 0.00 +0.025 C ENDROOT BRANCH 1 10 ATOM 8 CA PRO A 9 -5.477 -1.575 0.186 0.00 0.00 +0.172 C ATOM 9 N PRO A 9 -4.058 -0.826 0.146 0.00 0.00 -0.277 N ATOM 10 C PRO A 8 -2.976 -1.050 -0.765 0.00 0.00 +0.238 C ATOM 11 O PRO A 8 -3.068 -1.781 -1.751 0.00 0.00 -0.273 OA ATOM 12 CD PRO A 9 -3.918 -0.456 1.457 0.00 0.00 +0.094 C ATOM 13 CG PRO A 9 -4.645 -0.900 2.730 0.00 0.00 +0.023 C ATOM 14 CB PRO A 9 -5.511 -1.625 1.690 0.00 0.00 +0.025 C BRANCH 8 16 ATOM 15 N SER A 10 -7.922 -1.046 0.329 0.00 0.00 -0.200 NA ATOM 16 C PRO A 9 -6.775 -0.786 -0.357 0.00 0.00 +0.254 C ATOM 17 O PRO A 9 -6.621 0.113 -1.195 0.00 0.00 -0.272 OA BRANCH 15 18 ATOM 18 CA SER A 10 -9.062 -1.825 -0.360 0.00 0.00 +0.225 C BRANCH 18 20 ATOM 19 N TYR A 11 -11.687 -1.512 -0.288 0.00 0.00 -0.202 NA ATOM 20 C SER A 10 -10.553 -1.695 0.502 0.00 0.00 +0.258 C ATOM 21 O SER A 10 -10.558 -1.766 1.740 0.00 0.00 -0.272 OA BRANCH 19 22 ATOM 22 CA TYR A 11 -13.106 -1.444 0.417 0.00 0.00 +0.197 C BRANCH 22 24 ATOM 23 N CYS A 12 -15.677 -1.837 0.085 0.00 0.00 -0.202 NA ATOM 24 C TYR A 11 -14.426 -1.996 -0.501 0.00 0.00 +0.256 C ATOM 25 O TYR A 11 -14.235 -2.551 -1.593 0.00 0.00 -0.272 OA BRANCH 23 26 ATOM 26 CA CYS A 12 -16.821 -2.793 -0.366 0.00 0.00 +0.204 C BRANCH 26 28 ATOM 27 N LYS A 13 -18.716 -1.212 -1.154 0.00 0.00 -0.201 NA ATOM 28 C CYS A 12 -18.043 -2.365 -1.386 0.00 0.00 +0.256 C ATOM 29 O CYS A 12 -18.354 -3.136 -2.311 0.00 0.00 -0.272 OA BRANCH 27 30 ATOM 30 CA LYS A 13 -20.216 -1.329 -1.122 0.00 0.00 +0.218 C BRANCH 30 31 ATOM 31 C LYS A 13 -21.177 -1.378 -2.378 0.00 0.00 +0.378 C ATOM 32 OXT LYS A 13 -20.996 -0.633 -3.402 0.00 0.00 -0.244 OA ATOM 33 O LYS A 13 -22.261 -2.064 -2.206 0.00 0.00 -0.244 OA ENDBRANCH 30 31 BRANCH 30 34 ATOM 34 CB LYS A 13 -20.669 -0.168 -0.295 0.00 0.00 +0.027 C BRANCH 34 35 ATOM 35 CG LYS A 13 -21.084 1.072 0.511 0.00 0.00 +0.003 C BRANCH 35 36 ATOM 36 CD LYS A 13 -21.491 2.348 1.278 0.00 0.00 +0.021 C BRANCH 36 38 ATOM 37 NZ LYS A 13 -22.260 4.889 2.679 0.00 0.00 -0.131 NA ATOM 38 CE LYS A 13 -21.901 3.647 1.995 0.00 0.00 +0.109 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 27 30 ENDBRANCH 26 28 BRANCH 26 39 ATOM 39 CB CYS A 12 -17.439 -3.565 0.849 0.00 0.00 +0.093 C ATOM 40 SG CYS A 12 -18.251 -4.641 2.186 0.00 0.00 -0.080 S ENDBRANCH 26 39 ENDBRANCH 23 26 ENDBRANCH 22 24 BRANCH 22 41 ATOM 41 CB TYR A 11 -13.353 -0.040 0.934 0.00 0.00 +0.050 C BRANCH 41 42 ATOM 42 CG TYR A 11 -13.596 1.251 1.551 0.00 0.00 -0.037 A ATOM 43 CD2 TYR A 11 -14.866 1.817 1.592 0.00 0.00 +0.008 A ATOM 44 CE2 TYR A 11 -15.084 3.073 2.235 0.00 0.00 +0.051 A ATOM 45 CZ TYR A 11 -14.079 3.838 2.882 0.00 0.00 +0.179 A ATOM 46 OH TYR A 11 -14.303 4.957 3.480 0.00 0.00 -0.288 OA ATOM 47 CE1 TYR A 11 -12.815 3.218 2.812 0.00 0.00 +0.051 A ATOM 48 CD1 TYR A 11 -12.568 1.970 2.163 0.00 0.00 +0.008 A ENDBRANCH 41 42 ENDBRANCH 22 41 ENDBRANCH 19 22 ENDBRANCH 18 20 BRANCH 18 49 ATOM 49 CB SER A 10 -8.566 -3.276 -0.470 0.00 0.00 +0.207 C ATOM 50 OG SER A 10 -8.015 -4.593 -0.626 0.00 0.00 -0.218 OA ENDBRANCH 18 49 ENDBRANCH 15 18 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 3 51 ATOM 51 CA CYS A 7 2.319 -0.446 -1.560 0.00 0.00 +0.203 C BRANCH 51 52 ATOM 52 N CYS A 7 3.623 -0.805 -0.828 0.00 0.00 -0.202 NA ATOM 53 C ARG A 6 4.572 0.188 -0.672 0.00 0.00 +0.255 C ATOM 54 O ARG A 6 4.355 1.399 -0.816 0.00 0.00 -0.272 OA BRANCH 53 55 ATOM 55 CA ARG A 6 6.033 -0.350 -0.093 0.00 0.00 +0.193 C BRANCH 55 56 ATOM 56 N ARG A 6 7.329 0.455 -0.462 0.00 0.00 -0.203 NA ATOM 57 C ARG A 5 8.528 0.208 0.207 0.00 0.00 +0.255 C ATOM 58 O ARG A 5 8.634 0.014 1.422 0.00 0.00 -0.272 OA BRANCH 57 59 ATOM 59 CA ARG A 5 9.878 0.277 -0.750 0.00 0.00 +0.193 C BRANCH 59 60 ATOM 60 N ARG A 5 11.326 0.155 -0.214 0.00 0.00 -0.202 NA ATOM 61 C GLY A 4 12.053 1.299 -0.021 0.00 0.00 +0.264 C ATOM 62 O GLY A 4 11.617 2.334 0.498 0.00 0.00 -0.271 OA BRANCH 61 63 ATOM 63 CA GLY A 4 13.574 1.326 -0.351 0.00 0.00 +0.201 C BRANCH 63 64 ATOM 64 N GLY A 4 15.070 1.819 -0.721 0.00 0.00 -0.194 NA ATOM 65 C SER A 3 16.225 1.104 -0.470 0.00 0.00 +0.258 C ATOM 66 O SER A 3 16.287 -0.044 -0.018 0.00 0.00 -0.272 OA BRANCH 65 67 ATOM 67 CA SER A 3 17.654 1.985 -0.895 0.00 0.00 +0.226 C BRANCH 67 68 ATOM 68 N SER A 3 19.010 1.552 -0.210 0.00 0.00 -0.200 NA ATOM 69 C CYS A 2 19.767 2.524 0.423 0.00 0.00 +0.256 C ATOM 70 O CYS A 2 19.334 3.601 0.869 0.00 0.00 -0.272 OA BRANCH 69 71 ATOM 71 CA CYS A 2 21.426 2.167 0.577 0.00 0.00 +0.204 C BRANCH 71 72 ATOM 72 N CYS A 2 22.253 3.463 0.594 0.00 0.00 -0.202 NA ATOM 73 C SER A 1 23.572 3.429 0.247 0.00 0.00 +0.256 C ATOM 74 O SER A 1 24.159 2.626 -0.494 0.00 0.00 -0.272 OA BRANCH 73 75 ATOM 75 CA SER A 1 24.334 4.673 0.874 0.00 0.00 +0.221 C ATOM 76 N SER A 1 24.731 4.321 2.256 0.00 0.00 -0.127 NA BRANCH 75 77 ATOM 77 CB SER A 1 25.608 5.235 0.200 0.00 0.00 +0.204 C ATOM 78 OG SER A 1 26.805 5.874 -0.302 0.00 0.00 -0.219 OA ENDBRANCH 75 77 ENDBRANCH 73 75 ENDBRANCH 71 72 BRANCH 71 79 ATOM 79 CB CYS A 2 21.814 1.390 1.869 0.00 0.00 +0.093 C ATOM 80 SG CYS A 2 22.518 0.458 3.364 0.00 0.00 -0.080 S ENDBRANCH 71 79 ENDBRANCH 69 71 ENDBRANCH 67 68 BRANCH 67 81 ATOM 81 CB SER A 3 17.883 1.934 -2.444 0.00 0.00 +0.207 C ATOM 82 OG SER A 3 18.114 1.944 -3.874 0.00 0.00 -0.218 OA ENDBRANCH 67 81 ENDBRANCH 65 67 ENDBRANCH 63 64 ENDBRANCH 61 63 ENDBRANCH 59 60 BRANCH 59 83 ATOM 83 CB ARG A 5 9.755 -0.942 -1.609 0.00 0.00 +0.027 C BRANCH 83 84 ATOM 84 CG ARG A 5 9.655 -2.344 -2.242 0.00 0.00 +0.028 C BRANCH 84 85 ATOM 85 CD ARG A 5 9.588 -3.803 -2.725 0.00 0.00 +0.129 C BRANCH 85 86 ATOM 86 NE ARG A 5 9.545 -5.091 -3.104 0.00 0.00 -0.234 NA ATOM 87 CZ ARG A 5 9.290 -5.375 -4.335 0.00 0.00 +0.284 C ATOM 88 NH2 ARG A 5 9.048 -4.396 -5.390 0.00 0.00 -0.104 NA ATOM 89 NH1 ARG A 5 9.253 -6.791 -4.708 0.00 0.00 -0.104 NA ENDBRANCH 85 86 ENDBRANCH 84 85 ENDBRANCH 83 84 ENDBRANCH 59 83 ENDBRANCH 57 59 ENDBRANCH 55 56 BRANCH 55 90 ATOM 90 CB ARG A 6 5.878 -0.490 1.379 0.00 0.00 +0.027 C BRANCH 90 91 ATOM 91 CG ARG A 6 5.933 -0.745 2.899 0.00 0.00 +0.028 C BRANCH 91 92 ATOM 92 CD ARG A 6 6.243 -1.100 4.367 0.00 0.00 +0.129 C BRANCH 92 93 ATOM 93 NE ARG A 6 6.668 -1.456 5.590 0.00 0.00 -0.234 NA ATOM 94 CZ ARG A 6 7.885 -1.893 5.673 0.00 0.00 +0.284 C ATOM 95 NH2 ARG A 6 8.818 -2.051 4.557 0.00 0.00 -0.104 NA ATOM 96 NH1 ARG A 6 8.347 -2.298 7.009 0.00 0.00 -0.104 NA ENDBRANCH 92 93 ENDBRANCH 91 92 ENDBRANCH 90 91 ENDBRANCH 55 90 ENDBRANCH 53 55 ENDBRANCH 51 52 BRANCH 51 97 ATOM 97 CB CYS A 7 2.323 -1.044 -2.959 0.00 0.00 +0.093 C ATOM 98 SG CYS A 7 2.219 -1.685 -4.702 0.00 0.00 -0.080 S ENDBRANCH 51 97 ENDBRANCH 3 51 TORSDOF 43