REMARK Name = BDB055378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C ARG A 5 -0.887 -1.618 -0.462 0.00 0.00 +0.234 C ATOM 2 N UNK A 6 -0.166 -2.468 -1.261 0.00 0.00 -0.302 N ATOM 3 H UNK A 6 0.841 -2.316 -1.235 0.00 0.00 +0.150 HD ATOM 4 O ARG A 5 -1.946 -1.945 0.076 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 CA ARG A 5 -0.304 -0.232 -0.133 0.00 0.00 +0.159 C BRANCH 5 7 ATOM 6 C ALA A 4 -0.823 0.045 2.272 0.00 0.00 +0.234 C ATOM 7 N ARG A 5 0.075 -0.306 1.281 0.00 0.00 -0.302 N ATOM 8 H ARG A 5 0.833 -0.935 1.518 0.00 0.00 +0.150 HD ATOM 9 O ALA A 4 -1.911 0.564 2.026 0.00 0.00 -0.274 OA BRANCH 6 11 ATOM 10 CB ALA A 4 -0.359 -1.708 3.996 0.00 0.00 +0.038 C ATOM 11 CA ALA A 4 -0.345 -0.207 3.719 0.00 0.00 +0.156 C BRANCH 11 12 ATOM 12 N ALA A 4 -1.231 0.466 4.677 0.00 0.00 -0.303 N ATOM 13 H ALA A 4 -1.857 -0.101 5.234 0.00 0.00 +0.149 HD ATOM 14 C ALA A 3 -1.373 1.801 4.925 0.00 0.00 +0.234 C ATOM 15 O ALA A 3 -2.233 2.135 5.741 0.00 0.00 -0.274 OA BRANCH 14 16 ATOM 16 CA ALA A 3 -0.601 2.830 4.072 0.00 0.00 +0.156 C ATOM 17 CB ALA A 3 -0.298 4.061 4.923 0.00 0.00 +0.038 C BRANCH 16 18 ATOM 18 N ALA A 3 -1.446 3.160 2.920 0.00 0.00 -0.303 N ATOM 19 H ALA A 3 -2.090 2.426 2.620 0.00 0.00 +0.149 HD ATOM 20 C LYS A 2 -1.013 3.974 1.891 0.00 0.00 +0.234 C ATOM 21 O LYS A 2 0.126 4.428 1.863 0.00 0.00 -0.274 OA BRANCH 20 22 ATOM 22 CA LYS A 2 -2.038 4.158 0.736 0.00 0.00 +0.159 C BRANCH 22 23 ATOM 23 N LYS A 2 -3.366 4.364 1.339 0.00 0.00 -0.303 N ATOM 24 H LYS A 2 -3.483 5.220 1.866 0.00 0.00 +0.149 HD ATOM 25 C THR A 1 -4.288 3.349 1.491 0.00 0.00 +0.233 C ATOM 26 O THR A 1 -4.160 2.253 0.944 0.00 0.00 -0.274 OA BRANCH 25 27 ATOM 27 CA THR A 1 -5.459 3.666 2.453 0.00 0.00 +0.166 C BRANCH 27 28 ATOM 28 N THR A 1 -6.569 2.697 2.201 0.00 0.00 -0.318 NA ATOM 29 H1 THR A 1 -6.158 1.767 2.293 0.00 0.00 +0.119 HD ATOM 30 H2 THR A 1 -7.151 2.774 3.047 0.00 0.00 +0.119 HD ENDBRANCH 27 28 BRANCH 27 31 ATOM 31 CB THR A 1 -4.969 3.539 3.924 0.00 0.00 +0.137 C ATOM 32 CG2 THR A 1 -4.502 4.867 4.515 0.00 0.00 +0.040 C BRANCH 31 33 ATOM 33 OG1 THR A 1 -6.039 3.036 4.745 0.00 0.00 -0.390 OA ATOM 34 HG1 THR A 1 -5.669 2.904 5.640 0.00 0.00 +0.210 HD ENDBRANCH 31 33 ENDBRANCH 27 31 ENDBRANCH 25 27 ENDBRANCH 22 23 BRANCH 22 35 ATOM 35 CB LYS A 2 -1.708 5.350 -0.182 0.00 0.00 +0.032 C BRANCH 35 36 ATOM 36 CG LYS A 2 -0.915 4.979 -1.448 0.00 0.00 +0.003 C BRANCH 36 37 ATOM 37 CD LYS A 2 0.571 4.666 -1.250 0.00 0.00 +0.015 C BRANCH 37 38 ATOM 38 CE LYS A 2 1.453 5.848 -0.831 0.00 0.00 +0.077 C BRANCH 38 39 ATOM 39 NZ LYS A 2 1.516 6.851 -1.891 0.00 0.00 -0.330 NA ATOM 40 HZ1 LYS A 2 2.201 7.563 -1.631 0.00 0.00 +0.118 HD ATOM 41 HZ2 LYS A 2 0.625 7.336 -1.949 0.00 0.00 +0.118 HD ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 22 35 ENDBRANCH 20 22 ENDBRANCH 16 18 ENDBRANCH 14 16 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 5 7 BRANCH 5 42 ATOM 42 CB ARG A 5 0.837 0.327 -0.986 0.00 0.00 +0.033 C BRANCH 42 43 ATOM 43 CG ARG A 5 0.348 1.233 -2.118 0.00 0.00 +0.023 C BRANCH 43 44 ATOM 44 CD ARG A 5 -0.305 0.514 -3.293 0.00 0.00 +0.115 C BRANCH 44 45 ATOM 45 NE ARG A 5 -0.639 1.498 -4.312 0.00 0.00 -0.356 N ATOM 46 HE ARG A 5 -0.129 2.368 -4.226 0.00 0.00 +0.162 HD BRANCH 45 47 ATOM 47 CZ ARG A 5 -0.924 1.171 -5.590 0.00 0.00 +0.188 C ATOM 48 NH1 ARG A 5 -0.692 1.934 -6.595 0.00 0.00 -0.269 NA ATOM 49 HH1 ARG A 5 -0.269 2.806 -6.281 0.00 0.00 +0.190 HD BRANCH 47 50 ATOM 50 NH2 ARG A 5 -1.509 -0.031 -5.793 0.00 0.00 -0.370 N ATOM 51 HH21 ARG A 5 -1.768 -0.098 -6.775 0.00 0.00 +0.159 HD ATOM 52 HH22 ARG A 5 -2.332 -0.146 -5.221 0.00 0.00 +0.159 HD ENDBRANCH 47 50 ENDBRANCH 45 47 ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 5 42 ENDBRANCH 1 5 BRANCH 2 53 ATOM 53 C UNK A 6 -0.483 -3.887 -1.527 0.00 0.00 +0.159 C BRANCH 53 54 ATOM 54 C UNK A 6 -0.175 -4.356 -2.974 0.00 0.00 +0.234 C ATOM 55 N SER A 7 0.920 -3.964 -3.666 0.00 0.00 -0.301 N ATOM 56 H SER A 7 0.954 -4.432 -4.574 0.00 0.00 +0.150 HD ATOM 57 O UNK A 6 -0.847 -5.248 -3.501 0.00 0.00 -0.274 OA BRANCH 55 58 ATOM 58 CA SER A 7 2.091 -3.097 -3.411 0.00 0.00 +0.184 C BRANCH 58 59 ATOM 59 C SER A 7 2.853 -3.108 -4.765 0.00 0.00 +0.236 C ATOM 60 N ALA A 8 3.833 -2.213 -5.077 0.00 0.00 -0.303 N ATOM 61 H ALA A 8 4.060 -2.386 -6.055 0.00 0.00 +0.149 HD ATOM 62 O SER A 7 2.511 -3.874 -5.675 0.00 0.00 -0.274 OA BRANCH 60 63 ATOM 63 CA ALA A 8 5.026 -1.932 -4.279 0.00 0.00 +0.156 C ATOM 64 CB ALA A 8 6.206 -1.560 -5.181 0.00 0.00 +0.038 C BRANCH 63 65 ATOM 65 C ALA A 8 4.920 -0.857 -3.179 0.00 0.00 +0.236 C ATOM 66 N PRO A 9 4.304 0.359 -3.404 0.00 0.00 -0.288 N ATOM 67 CA PRO A 9 4.731 1.546 -2.624 0.00 0.00 +0.162 C ATOM 68 CB PRO A 9 4.154 2.740 -3.399 0.00 0.00 +0.033 C ATOM 69 CG PRO A 9 4.082 2.235 -4.827 0.00 0.00 +0.021 C ATOM 70 CD PRO A 9 3.676 0.782 -4.655 0.00 0.00 +0.109 C ATOM 71 O ALA A 8 5.508 -1.057 -2.111 0.00 0.00 -0.274 OA BRANCH 67 72 ATOM 72 C PRO A 9 4.387 1.703 -1.122 0.00 0.00 +0.234 C ATOM 73 N ALA A 10 4.281 0.542 -0.395 0.00 0.00 -0.303 N ATOM 74 H ALA A 10 4.644 -0.287 -0.869 0.00 0.00 +0.149 HD ATOM 75 O PRO A 9 4.359 2.810 -0.584 0.00 0.00 -0.274 OA BRANCH 73 76 ATOM 76 CA ALA A 10 4.468 0.519 1.052 0.00 0.00 +0.156 C ATOM 77 CB ALA A 10 3.385 1.257 1.832 0.00 0.00 +0.038 C BRANCH 76 78 ATOM 78 C ALA A 10 4.513 -0.965 1.483 0.00 0.00 +0.234 C ATOM 79 N THR A 11 4.777 -1.164 2.824 0.00 0.00 -0.299 N ATOM 80 H THR A 11 5.232 -0.397 3.312 0.00 0.00 +0.150 HD ATOM 81 O ALA A 10 4.339 -1.893 0.692 0.00 0.00 -0.274 OA BRANCH 79 82 ATOM 82 CA THR A 11 5.059 -2.504 3.372 0.00 0.00 +0.210 C BRANCH 82 83 ATOM 83 CB THR A 11 3.976 -3.565 3.072 0.00 0.00 +0.143 C ATOM 84 CG2 THR A 11 3.985 -4.692 4.108 0.00 0.00 +0.040 C BRANCH 83 85 ATOM 85 OG1 THR A 11 2.663 -2.967 3.111 0.00 0.00 -0.390 OA ATOM 86 HG1 THR A 11 2.041 -3.695 2.941 0.00 0.00 +0.210 HD ENDBRANCH 83 85 ENDBRANCH 82 83 BRANCH 82 87 ATOM 87 C THR A 11 6.477 -2.886 2.918 0.00 0.00 +0.328 C ATOM 88 O THR A 11 7.394 -2.091 2.737 0.00 0.00 -0.249 OA BRANCH 87 89 ATOM 89 OXT THR A 11 6.699 -4.203 2.769 0.00 0.00 -0.479 OA ATOM 90 HXT THR A 11 7.637 -4.276 2.482 0.00 0.00 +0.295 HD ENDBRANCH 87 89 ENDBRANCH 82 87 ENDBRANCH 79 82 ENDBRANCH 76 78 ENDBRANCH 73 76 ENDBRANCH 67 72 ENDBRANCH 63 65 ENDBRANCH 60 63 ENDBRANCH 58 59 BRANCH 58 91 ATOM 91 CB SER A 7 2.897 -3.571 -2.200 0.00 0.00 +0.187 C BRANCH 91 92 ATOM 92 OG SER A 7 2.530 -2.770 -1.068 0.00 0.00 -0.393 OA ATOM 93 H SER A 7 3.336 -2.669 -0.500 0.00 0.00 +0.209 HD ENDBRANCH 91 92 ENDBRANCH 58 91 ENDBRANCH 55 58 ENDBRANCH 53 54 BRANCH 53 94 ATOM 94 C UNK A 6 -1.896 -4.387 -1.116 0.00 0.00 +0.032 C BRANCH 94 95 ATOM 95 C UNK A 6 -3.060 -3.706 -1.874 0.00 0.00 +0.000 C BRANCH 95 96 ATOM 96 C UNK A 6 -4.256 -3.363 -0.962 0.00 0.00 -0.018 C BRANCH 96 97 ATOM 97 C UNK A 6 -4.830 -1.974 -1.279 0.00 0.00 -0.076 C BRANCH 97 98 ATOM 98 N UNK A 6 -5.603 -1.332 -0.117 0.00 0.00 +0.374 N ATOM 99 C UNK A 6 -4.627 -0.911 0.991 0.00 0.00 -0.093 C ATOM 100 C UNK A 6 -6.672 -2.243 0.440 0.00 0.00 -0.093 C ATOM 101 C UNK A 6 -6.265 -0.052 -0.637 0.00 0.00 -0.093 C ENDBRANCH 97 98 ENDBRANCH 96 97 ENDBRANCH 95 96 ENDBRANCH 94 95 ENDBRANCH 53 94 ENDBRANCH 2 53 TORSDOF 44