REMARK Name = BDB055849 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA PRO A 8 1.378 -0.564 -0.104 0.00 0.00 +0.171 C ATOM 2 N PRO A 8 0.086 -1.359 0.098 0.00 0.00 -0.277 N ATOM 3 C CYS A 7 -1.144 -1.028 -0.517 0.00 0.00 +0.241 C ATOM 4 O CYS A 7 -1.172 -0.081 -1.316 0.00 0.00 -0.273 OA ATOM 5 CD PRO A 8 0.332 -2.071 1.231 0.00 0.00 +0.094 C ATOM 6 CG PRO A 8 1.541 -2.014 2.163 0.00 0.00 +0.023 C ATOM 7 CB PRO A 8 2.054 -0.973 1.160 0.00 0.00 +0.025 C ENDROOT BRANCH 1 10 ATOM 8 CA PRO A 9 4.799 -0.586 -0.939 0.00 0.00 +0.172 C ATOM 9 N PRO A 9 3.436 -0.131 -1.566 0.00 0.00 -0.277 N ATOM 10 C PRO A 8 2.273 -0.942 -1.330 0.00 0.00 +0.238 C ATOM 11 O PRO A 8 1.910 -1.772 -2.182 0.00 0.00 -0.273 OA ATOM 12 CD PRO A 9 3.857 -0.024 -2.879 0.00 0.00 +0.094 C ATOM 13 CG PRO A 9 5.037 -0.632 -3.636 0.00 0.00 +0.023 C ATOM 14 CB PRO A 9 5.422 -1.061 -2.218 0.00 0.00 +0.025 C BRANCH 8 16 ATOM 15 N ALA A 10 6.945 0.132 0.015 0.00 0.00 -0.203 NA ATOM 16 C PRO A 9 5.736 0.592 -0.396 0.00 0.00 +0.254 C ATOM 17 O PRO A 9 5.329 1.757 -0.447 0.00 0.00 -0.272 OA BRANCH 15 19 ATOM 18 CB ALA A 10 7.607 1.504 1.988 0.00 0.00 +0.027 C ATOM 19 CA ALA A 10 7.984 1.152 0.459 0.00 0.00 +0.193 C BRANCH 19 20 ATOM 20 C ALA A 10 9.537 0.569 0.370 0.00 0.00 +0.255 C ATOM 21 N TYR A 11 10.467 1.538 0.066 0.00 0.00 -0.202 NA ATOM 22 O ALA A 10 9.758 -0.634 0.579 0.00 0.00 -0.272 OA BRANCH 21 23 ATOM 23 CA TYR A 11 11.964 1.180 0.200 0.00 0.00 +0.197 C BRANCH 23 24 ATOM 24 C TYR A 11 12.980 2.505 0.184 0.00 0.00 +0.256 C ATOM 25 N CYS A 12 13.879 2.536 1.225 0.00 0.00 -0.202 NA ATOM 26 O TYR A 11 12.914 3.313 -0.753 0.00 0.00 -0.272 OA BRANCH 25 27 ATOM 27 CA CYS A 12 15.003 3.609 1.185 0.00 0.00 +0.204 C BRANCH 27 28 ATOM 28 C CYS A 12 16.451 3.026 1.759 0.00 0.00 +0.256 C ATOM 29 N LYS A 13 17.549 3.426 1.021 0.00 0.00 -0.201 NA ATOM 30 O CYS A 12 16.520 2.351 2.801 0.00 0.00 -0.272 OA BRANCH 29 31 ATOM 31 CA LYS A 13 18.888 2.909 1.510 0.00 0.00 +0.218 C BRANCH 31 32 ATOM 32 C LYS A 13 20.230 3.679 1.090 0.00 0.00 +0.378 C ATOM 33 OXT LYS A 13 21.246 2.955 0.757 0.00 0.00 -0.244 OA ATOM 34 O LYS A 13 20.309 4.948 1.218 0.00 0.00 -0.244 OA ENDBRANCH 31 32 BRANCH 31 35 ATOM 35 CB LYS A 13 18.993 1.471 1.125 0.00 0.00 +0.027 C BRANCH 35 36 ATOM 36 CG LYS A 13 19.080 -0.021 0.752 0.00 0.00 +0.003 C BRANCH 36 37 ATOM 37 CD LYS A 13 19.158 -1.517 0.395 0.00 0.00 +0.021 C BRANCH 37 38 ATOM 38 CE LYS A 13 19.237 -3.017 0.051 0.00 0.00 +0.109 C ATOM 39 NZ LYS A 13 19.341 -4.447 -0.249 0.00 0.00 -0.131 NA ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 29 31 ENDBRANCH 27 28 BRANCH 27 40 ATOM 40 CB CYS A 12 14.633 4.867 2.016 0.00 0.00 +0.093 C ATOM 41 SG CYS A 12 14.304 6.482 2.954 0.00 0.00 -0.080 S ENDBRANCH 27 40 ENDBRANCH 25 27 ENDBRANCH 23 24 BRANCH 23 42 ATOM 42 CB TYR A 11 12.372 0.275 -0.950 0.00 0.00 +0.050 C BRANCH 42 43 ATOM 43 CG TYR A 11 12.780 -0.626 -2.012 0.00 0.00 -0.037 A ATOM 44 CD2 TYR A 11 14.065 -0.593 -2.539 0.00 0.00 +0.008 A ATOM 45 CE2 TYR A 11 14.452 -1.491 -3.572 0.00 0.00 +0.051 A ATOM 46 CZ TYR A 11 13.606 -2.476 -4.136 0.00 0.00 +0.179 A ATOM 47 OH TYR A 11 13.968 -3.290 -5.064 0.00 0.00 -0.288 OA ATOM 48 CE1 TYR A 11 12.307 -2.454 -3.579 0.00 0.00 +0.051 A ATOM 49 CD1 TYR A 11 11.896 -1.561 -2.550 0.00 0.00 +0.008 A ENDBRANCH 42 43 ENDBRANCH 23 42 ENDBRANCH 21 23 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 3 50 ATOM 50 CA CYS A 7 -2.454 -1.808 0.006 0.00 0.00 +0.203 C BRANCH 50 51 ATOM 51 N CYS A 7 -3.709 -1.455 -0.749 0.00 0.00 -0.202 NA ATOM 52 C PRO A 6 -4.860 -1.291 -0.035 0.00 0.00 +0.254 C ATOM 53 O PRO A 6 -4.942 -0.930 1.145 0.00 0.00 -0.272 OA BRANCH 52 54 ATOM 54 CA PRO A 6 -6.178 -1.671 -0.883 0.00 0.00 +0.172 C ATOM 55 N PRO A 6 -7.579 -1.089 -0.555 0.00 0.00 -0.277 N ATOM 56 C ARG A 5 -8.536 -1.785 0.218 0.00 0.00 +0.240 C ATOM 57 O ARG A 5 -8.207 -2.712 0.969 0.00 0.00 -0.273 OA ATOM 58 CD PRO A 6 -7.804 -0.246 -1.600 0.00 0.00 +0.094 C ATOM 59 CG PRO A 6 -7.036 -0.021 -2.901 0.00 0.00 +0.023 C ATOM 60 CB PRO A 6 -6.094 -1.043 -2.247 0.00 0.00 +0.025 C BRANCH 56 61 ATOM 61 CA ARG A 5 -10.074 -1.290 0.102 0.00 0.00 +0.191 C BRANCH 61 62 ATOM 62 N ARG A 5 -10.875 -2.351 -0.544 0.00 0.00 -0.203 NA ATOM 63 C GLY A 4 -12.057 -2.092 -1.148 0.00 0.00 +0.264 C ATOM 64 O GLY A 4 -12.334 -2.615 -2.232 0.00 0.00 -0.271 OA BRANCH 63 65 ATOM 65 CA GLY A 4 -13.197 -1.405 -0.457 0.00 0.00 +0.201 C BRANCH 65 66 ATOM 66 N GLY A 4 -14.471 -0.829 0.234 0.00 0.00 -0.194 NA ATOM 67 C GLY A 3 -15.600 -0.691 -0.512 0.00 0.00 +0.264 C ATOM 68 O GLY A 3 -15.719 -0.843 -1.728 0.00 0.00 -0.271 OA BRANCH 67 69 ATOM 69 CA GLY A 3 -16.849 -0.220 0.220 0.00 0.00 +0.201 C BRANCH 69 70 ATOM 70 N GLY A 3 -18.098 0.408 0.918 0.00 0.00 -0.194 NA ATOM 71 C CYS A 2 -19.341 -0.130 0.720 0.00 0.00 +0.257 C ATOM 72 O CYS A 2 -19.611 -1.187 0.130 0.00 0.00 -0.272 OA BRANCH 71 73 ATOM 73 CA CYS A 2 -20.542 0.814 1.372 0.00 0.00 +0.204 C BRANCH 73 74 ATOM 74 N CYS A 2 -21.717 0.887 0.419 0.00 0.00 -0.202 NA ATOM 75 C SER A 1 -22.543 1.966 0.483 0.00 0.00 +0.256 C ATOM 76 O SER A 1 -22.275 3.106 0.879 0.00 0.00 -0.272 OA BRANCH 75 77 ATOM 77 CA SER A 1 -23.994 1.580 -0.018 0.00 0.00 +0.221 C ATOM 78 N SER A 1 -24.810 1.268 1.172 0.00 0.00 -0.127 NA BRANCH 77 79 ATOM 79 CB SER A 1 -24.806 2.582 -0.854 0.00 0.00 +0.204 C ATOM 80 OG SER A 1 -25.696 3.401 -1.635 0.00 0.00 -0.219 OA ENDBRANCH 77 79 ENDBRANCH 75 77 ENDBRANCH 73 74 BRANCH 73 81 ATOM 81 CB CYS A 2 -21.046 0.281 2.724 0.00 0.00 +0.093 C ATOM 82 SG CYS A 2 -21.728 -0.247 4.394 0.00 0.00 -0.080 S ENDBRANCH 73 81 ENDBRANCH 71 73 ENDBRANCH 69 70 ENDBRANCH 67 69 ENDBRANCH 65 66 ENDBRANCH 63 65 ENDBRANCH 61 62 BRANCH 61 83 ATOM 83 CB ARG A 5 -10.602 -1.078 1.468 0.00 0.00 +0.027 C BRANCH 83 84 ATOM 84 CG ARG A 5 -11.409 -0.934 2.773 0.00 0.00 +0.028 C BRANCH 84 85 ATOM 85 CD ARG A 5 -12.435 -0.800 3.912 0.00 0.00 +0.129 C BRANCH 85 86 ATOM 86 NE ARG A 5 -13.402 -0.641 4.838 0.00 0.00 -0.234 NA ATOM 87 CZ ARG A 5 -14.357 0.189 4.537 0.00 0.00 +0.284 C ATOM 88 NH2 ARG A 5 -14.379 1.055 3.359 0.00 0.00 -0.104 NA ATOM 89 NH1 ARG A 5 -15.431 0.341 5.520 0.00 0.00 -0.104 NA ENDBRANCH 85 86 ENDBRANCH 84 85 ENDBRANCH 83 84 ENDBRANCH 61 83 ENDBRANCH 56 61 ENDBRANCH 52 54 ENDBRANCH 50 51 BRANCH 50 90 ATOM 90 CB CYS A 7 -2.249 -3.307 -0.070 0.00 0.00 +0.093 C ATOM 91 SG CYS A 7 -1.966 -5.131 -0.081 0.00 0.00 -0.080 S ENDBRANCH 50 90 ENDBRANCH 3 50 TORSDOF 36