REMARK Name = BDB055851 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA PRO A 8 -1.509 -0.970 0.594 0.00 0.00 +0.172 C ATOM 2 N PRO A 8 -0.174 -1.281 1.353 0.00 0.00 -0.277 N ATOM 3 C CYS A 7 0.911 -0.360 1.456 0.00 0.00 +0.241 C ATOM 4 O CYS A 7 0.738 0.844 1.216 0.00 0.00 -0.273 OA ATOM 5 CD PRO A 8 -0.067 -2.633 1.205 0.00 0.00 +0.094 C ATOM 6 CG PRO A 8 -0.818 -3.591 0.280 0.00 0.00 +0.023 C ATOM 7 CB PRO A 8 -1.613 -2.322 -0.054 0.00 0.00 +0.025 C ENDROOT BRANCH 1 9 ATOM 8 N MET A 9 -3.975 -0.567 0.445 0.00 0.00 -0.203 NA ATOM 9 C PRO A 8 -2.937 -0.699 1.332 0.00 0.00 +0.254 C ATOM 10 O PRO A 8 -2.999 -0.622 2.562 0.00 0.00 -0.272 OA BRANCH 8 11 ATOM 11 CA MET A 9 -5.399 -0.564 1.006 0.00 0.00 +0.193 C BRANCH 11 12 ATOM 12 C MET A 9 -6.612 -0.875 -0.074 0.00 0.00 +0.255 C ATOM 13 N ALA A 10 -7.851 -0.965 0.516 0.00 0.00 -0.203 NA ATOM 14 O MET A 9 -6.372 -0.975 -1.282 0.00 0.00 -0.272 OA BRANCH 13 15 ATOM 15 CA ALA A 10 -9.024 -1.494 -0.339 0.00 0.00 +0.193 C ATOM 16 CB ALA A 10 -8.866 -3.105 -0.350 0.00 0.00 +0.027 C BRANCH 15 17 ATOM 17 C ALA A 10 -10.579 -1.107 0.227 0.00 0.00 +0.255 C ATOM 18 N TYR A 11 -11.559 -1.100 -0.757 0.00 0.00 -0.202 NA ATOM 19 O ALA A 10 -10.768 -0.883 1.433 0.00 0.00 -0.272 OA BRANCH 18 20 ATOM 20 CA TYR A 11 -13.065 -0.956 -0.320 0.00 0.00 +0.197 C BRANCH 20 21 ATOM 21 C TYR A 11 -14.214 -1.448 -1.480 0.00 0.00 +0.256 C ATOM 22 N CYS A 12 -15.445 -1.816 -0.951 0.00 0.00 -0.202 NA ATOM 23 O TYR A 11 -13.924 -1.403 -2.683 0.00 0.00 -0.272 OA BRANCH 22 24 ATOM 24 CA CYS A 12 -16.527 -2.497 -1.899 0.00 0.00 +0.204 C BRANCH 24 25 ATOM 25 C CYS A 12 -18.139 -1.946 -1.678 0.00 0.00 +0.256 C ATOM 26 N SER A 13 -18.968 -2.097 -2.786 0.00 0.00 -0.198 NA ATOM 27 O CYS A 12 -18.501 -1.465 -0.594 0.00 0.00 -0.272 OA BRANCH 26 28 ATOM 28 CA SER A 13 -20.414 -1.519 -2.703 0.00 0.00 +0.251 C BRANCH 28 29 ATOM 29 C SER A 13 -21.603 -2.418 -2.038 0.00 0.00 +0.381 C ATOM 30 OXT SER A 13 -22.331 -1.837 -1.137 0.00 0.00 -0.244 OA ATOM 31 O SER A 13 -21.887 -3.576 -2.512 0.00 0.00 -0.244 OA ENDBRANCH 28 29 BRANCH 28 32 ATOM 32 CB SER A 13 -20.912 -0.980 -4.104 0.00 0.00 +0.209 C ATOM 33 OG SER A 13 -21.471 -0.429 -5.326 0.00 0.00 -0.218 OA ENDBRANCH 28 32 ENDBRANCH 26 28 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 CB CYS A 12 -16.479 -4.042 -1.704 0.00 0.00 +0.093 C ATOM 35 SG CYS A 12 -16.421 -5.937 -1.556 0.00 0.00 -0.080 S ENDBRANCH 24 34 ENDBRANCH 22 24 ENDBRANCH 20 21 BRANCH 20 36 ATOM 36 CB TYR A 11 -13.325 0.491 0.057 0.00 0.00 +0.050 C BRANCH 36 37 ATOM 37 CG TYR A 11 -13.559 1.850 0.512 0.00 0.00 -0.037 A ATOM 38 CD2 TYR A 11 -14.727 2.539 0.207 0.00 0.00 +0.008 A ATOM 39 CE2 TYR A 11 -14.945 3.863 0.687 0.00 0.00 +0.051 A ATOM 40 CZ TYR A 11 -14.029 4.584 1.492 0.00 0.00 +0.179 A ATOM 41 OH TYR A 11 -14.235 5.778 1.921 0.00 0.00 -0.288 OA ATOM 42 CE1 TYR A 11 -12.863 3.836 1.775 0.00 0.00 +0.051 A ATOM 43 CD1 TYR A 11 -12.627 2.512 1.306 0.00 0.00 +0.008 A ENDBRANCH 36 37 ENDBRANCH 20 36 ENDBRANCH 18 20 ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 11 12 BRANCH 11 44 ATOM 44 CB MET A 9 -5.697 0.774 1.572 0.00 0.00 +0.037 C BRANCH 44 45 ATOM 45 CG MET A 9 -6.349 2.080 2.060 0.00 0.00 +0.059 C BRANCH 45 47 ATOM 46 CE MET A 9 -6.195 4.346 3.481 0.00 0.00 +0.069 C ATOM 47 SD MET A 9 -7.347 3.378 2.469 0.00 0.00 -0.139 S ENDBRANCH 45 47 ENDBRANCH 44 45 ENDBRANCH 11 44 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 3 48 ATOM 48 CA CYS A 7 2.386 -0.996 1.806 0.00 0.00 +0.203 C BRANCH 48 49 ATOM 49 N CYS A 7 3.529 -0.067 1.441 0.00 0.00 -0.202 NA ATOM 50 C PRO A 6 4.702 -0.612 1.003 0.00 0.00 +0.254 C ATOM 51 O PRO A 6 4.852 -1.705 0.448 0.00 0.00 -0.272 OA BRANCH 50 52 ATOM 52 CA PRO A 6 5.965 0.368 1.265 0.00 0.00 +0.172 C ATOM 53 N PRO A 6 7.267 0.281 0.419 0.00 0.00 -0.277 N ATOM 54 C ARG A 5 8.497 -0.248 0.915 0.00 0.00 +0.240 C ATOM 55 O ARG A 5 8.539 -0.953 1.927 0.00 0.00 -0.273 OA ATOM 56 CD PRO A 6 7.125 1.345 -0.424 0.00 0.00 +0.094 C ATOM 57 CG PRO A 6 6.178 2.543 -0.396 0.00 0.00 +0.023 C ATOM 58 CB PRO A 6 5.598 1.745 0.777 0.00 0.00 +0.025 C BRANCH 54 59 ATOM 59 CA ARG A 5 9.795 0.137 0.054 0.00 0.00 +0.191 C BRANCH 59 60 ATOM 60 N ARG A 5 11.146 0.103 0.745 0.00 0.00 -0.203 NA ATOM 61 C GLY A 4 12.120 0.806 0.104 0.00 0.00 +0.264 C ATOM 62 O GLY A 4 11.953 1.614 -0.807 0.00 0.00 -0.271 OA BRANCH 61 63 ATOM 63 CA GLY A 4 13.539 0.596 0.555 0.00 0.00 +0.201 C BRANCH 63 64 ATOM 64 N GLY A 4 14.985 0.435 1.066 0.00 0.00 -0.194 NA ATOM 65 C LEU A 3 16.034 0.745 0.246 0.00 0.00 +0.256 C ATOM 66 O LEU A 3 15.989 1.025 -0.956 0.00 0.00 -0.272 OA BRANCH 65 67 ATOM 67 CA LEU A 3 17.424 0.751 1.069 0.00 0.00 +0.192 C BRANCH 67 68 ATOM 68 N LEU A 3 18.707 0.720 0.263 0.00 0.00 -0.203 NA ATOM 69 C CYS A 2 19.868 0.545 0.973 0.00 0.00 +0.256 C ATOM 70 O CYS A 2 19.948 0.397 2.197 0.00 0.00 -0.272 OA BRANCH 69 71 ATOM 71 CA CYS A 2 21.182 0.602 0.041 0.00 0.00 +0.204 C BRANCH 71 72 ATOM 72 N CYS A 2 21.882 1.914 0.265 0.00 0.00 -0.202 NA ATOM 73 C GLY A 1 22.452 2.509 -0.785 0.00 0.00 +0.261 C ATOM 74 O GLY A 1 23.415 3.280 -0.738 0.00 0.00 -0.272 OA BRANCH 73 75 ATOM 75 CA GLY A 1 21.863 2.342 -2.102 0.00 0.00 +0.196 C ATOM 76 N GLY A 1 21.277 2.218 -3.440 0.00 0.00 -0.121 NA ENDBRANCH 73 75 ENDBRANCH 71 72 BRANCH 71 77 ATOM 77 CB CYS A 2 22.211 -0.507 0.286 0.00 0.00 +0.093 C ATOM 78 SG CYS A 2 23.575 -1.786 0.397 0.00 0.00 -0.080 S ENDBRANCH 71 77 ENDBRANCH 69 71 ENDBRANCH 67 68 BRANCH 67 79 ATOM 79 CB LEU A 3 17.432 1.982 1.886 0.00 0.00 +0.025 C BRANCH 79 80 ATOM 80 CG LEU A 3 17.471 3.121 2.688 0.00 0.00 +0.002 C ATOM 81 CD2 LEU A 3 17.423 3.050 4.252 0.00 0.00 +0.000 C ATOM 82 CD1 LEU A 3 17.522 4.578 2.125 0.00 0.00 +0.000 C ENDBRANCH 79 80 ENDBRANCH 67 79 ENDBRANCH 65 67 ENDBRANCH 63 64 ENDBRANCH 61 63 ENDBRANCH 59 60 BRANCH 59 83 ATOM 83 CB ARG A 5 9.871 -0.786 -1.105 0.00 0.00 +0.027 C BRANCH 83 84 ATOM 84 CG ARG A 5 10.180 -1.667 -2.331 0.00 0.00 +0.028 C BRANCH 84 85 ATOM 85 CD ARG A 5 10.703 -2.467 -3.539 0.00 0.00 +0.129 C BRANCH 85 86 ATOM 86 NE ARG A 5 11.280 -3.104 -4.572 0.00 0.00 -0.234 NA ATOM 87 CZ ARG A 5 12.501 -2.773 -4.846 0.00 0.00 +0.284 C ATOM 88 NH2 ARG A 5 13.284 -1.760 -4.146 0.00 0.00 -0.104 NA ATOM 89 NH1 ARG A 5 13.143 -3.467 -5.966 0.00 0.00 -0.104 NA ENDBRANCH 85 86 ENDBRANCH 84 85 ENDBRANCH 83 84 ENDBRANCH 59 83 ENDBRANCH 54 59 ENDBRANCH 50 52 ENDBRANCH 48 49 BRANCH 48 90 ATOM 90 CB CYS A 7 2.496 -1.319 3.281 0.00 0.00 +0.093 C ATOM 91 SG CYS A 7 2.703 -1.798 5.054 0.00 0.00 -0.080 S ENDBRANCH 48 90 ENDBRANCH 3 48 TORSDOF 38