REMARK Name = BDB052436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA GLN A 5 -1.235 -0.664 -0.364 0.00 0.00 +0.193 C ENDROOT BRANCH 1 2 ATOM 2 C GLN A 5 0.045 -1.587 0.288 0.00 0.00 +0.256 C ATOM 3 N THR A 6 1.278 -1.276 -0.260 0.00 0.00 -0.201 NA ATOM 4 O GLN A 5 -0.188 -2.446 1.137 0.00 0.00 -0.272 OA BRANCH 3 5 ATOM 5 CA THR A 6 2.518 -2.357 -0.012 0.00 0.00 +0.217 C BRANCH 5 6 ATOM 6 C THR A 6 3.997 -1.516 0.090 0.00 0.00 +0.258 C ATOM 7 N ALA A 7 5.128 -2.264 0.384 0.00 0.00 -0.203 NA ATOM 8 O THR A 6 4.028 -0.283 -0.025 0.00 0.00 -0.272 OA BRANCH 7 9 ATOM 9 CA ALA A 7 6.400 -1.498 0.759 0.00 0.00 +0.193 C ATOM 10 CB ALA A 7 6.376 -1.301 2.391 0.00 0.00 +0.027 C BRANCH 9 11 ATOM 11 C ALA A 7 7.933 -2.161 0.399 0.00 0.00 +0.255 C ATOM 12 N ARG A 8 8.923 -1.226 0.177 0.00 0.00 -0.203 NA ATOM 13 O ALA A 7 8.090 -3.367 0.181 0.00 0.00 -0.272 OA BRANCH 12 14 ATOM 14 CA ARG A 8 10.155 -1.097 1.086 0.00 0.00 +0.193 C BRANCH 14 15 ATOM 15 C ARG A 8 11.623 -1.636 0.703 0.00 0.00 +0.255 C ATOM 16 N LYS A 9 12.631 -0.783 1.103 0.00 0.00 -0.203 NA ATOM 17 O ARG A 8 11.796 -2.809 0.347 0.00 0.00 -0.272 OA BRANCH 16 18 ATOM 18 CA LYS A 9 13.837 -0.652 0.241 0.00 0.00 +0.192 C BRANCH 18 19 ATOM 19 C LYS A 9 15.214 -0.331 1.038 0.00 0.00 +0.256 C ATOM 20 N UNK A 10 16.277 0.049 0.242 0.00 0.00 -0.200 NA ATOM 21 O LYS A 9 15.337 -0.448 2.265 0.00 0.00 -0.272 OA BRANCH 20 22 ATOM 22 C UNK A 10 16.956 1.272 0.764 0.00 0.00 +0.227 C BRANCH 22 23 ATOM 23 C UNK A 10 16.682 2.385 -0.269 0.00 0.00 +0.277 C ATOM 24 O UNK A 10 17.088 2.503 -1.424 0.00 0.00 -0.270 OA ATOM 25 N UNK A 10 15.996 3.602 0.226 0.00 0.00 -0.087 NA ENDBRANCH 22 23 BRANCH 22 26 ATOM 26 C UNK A 10 18.444 1.221 1.063 0.00 0.00 +0.207 C ATOM 27 O UNK A 10 19.814 1.490 1.405 0.00 0.00 -0.218 OA ENDBRANCH 22 26 ENDBRANCH 20 22 ENDBRANCH 18 19 BRANCH 18 28 ATOM 28 CB LYS A 9 13.535 0.484 -0.670 0.00 0.00 +0.025 C BRANCH 28 29 ATOM 29 CG LYS A 9 13.180 1.651 -1.583 0.00 0.00 +0.003 C BRANCH 29 30 ATOM 30 CD LYS A 9 12.757 2.789 -2.568 0.00 0.00 +0.021 C BRANCH 30 31 ATOM 31 CE LYS A 9 12.518 4.031 -3.430 0.00 0.00 +0.109 C ATOM 32 NZ LYS A 9 12.361 5.245 -4.232 0.00 0.00 -0.131 NA ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 18 28 ENDBRANCH 16 18 ENDBRANCH 14 15 BRANCH 14 33 ATOM 33 CB ARG A 8 9.850 -1.360 2.497 0.00 0.00 +0.027 C BRANCH 33 34 ATOM 34 CG ARG A 8 9.418 -1.333 3.969 0.00 0.00 +0.028 C BRANCH 34 35 ATOM 35 CD ARG A 8 8.785 -1.034 5.362 0.00 0.00 +0.129 C BRANCH 35 36 ATOM 36 NE ARG A 8 8.054 -0.639 6.425 0.00 0.00 -0.234 NA ATOM 37 CZ ARG A 8 7.353 0.436 6.250 0.00 0.00 +0.284 C ATOM 38 NH2 ARG A 8 6.520 0.854 7.378 0.00 0.00 -0.104 NA ATOM 39 NH1 ARG A 8 7.394 1.292 5.066 0.00 0.00 -0.104 NA ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 14 33 ENDBRANCH 12 14 ENDBRANCH 9 11 ENDBRANCH 7 9 ENDBRANCH 5 6 BRANCH 5 40 ATOM 40 CB THR A 6 2.337 -3.545 -1.095 0.00 0.00 +0.196 C ATOM 41 OG1 THR A 6 2.799 -4.739 -0.686 0.00 0.00 -0.228 OA ATOM 42 CG2 THR A 6 2.981 -3.337 -2.554 0.00 0.00 +0.030 C ENDBRANCH 5 40 ENDBRANCH 3 5 ENDBRANCH 1 2 BRANCH 1 44 ATOM 43 C LYS A 4 -3.720 -0.162 -0.378 0.00 0.00 +0.255 C ATOM 44 N GLN A 5 -2.682 -0.879 0.198 0.00 0.00 -0.203 NA ATOM 45 O LYS A 4 -3.585 0.775 -1.193 0.00 0.00 -0.272 OA BRANCH 43 46 ATOM 46 CA LYS A 4 -5.237 -0.511 0.268 0.00 0.00 +0.192 C BRANCH 46 48 ATOM 47 C THR A 3 -7.630 0.144 0.658 0.00 0.00 +0.258 C ATOM 48 N LYS A 4 -6.544 0.229 -0.211 0.00 0.00 -0.203 NA ATOM 49 O THR A 3 -7.602 -0.406 1.780 0.00 0.00 -0.272 OA BRANCH 47 50 ATOM 50 CA THR A 3 -9.123 0.778 0.068 0.00 0.00 +0.217 C BRANCH 50 51 ATOM 51 CB THR A 3 -9.701 2.121 0.798 0.00 0.00 +0.196 C ATOM 52 OG1 THR A 3 -9.402 3.281 0.161 0.00 0.00 -0.228 OA ATOM 53 CG2 THR A 3 -9.254 2.399 2.315 0.00 0.00 +0.030 C ENDBRANCH 50 51 BRANCH 50 55 ATOM 54 C ARG A 2 -11.512 -0.335 -0.045 0.00 0.00 +0.256 C ATOM 55 N THR A 3 -10.156 -0.397 0.183 0.00 0.00 -0.201 NA ATOM 56 O ARG A 2 -12.321 -0.820 0.774 0.00 0.00 -0.272 OA BRANCH 54 57 ATOM 57 CA ARG A 2 -12.062 0.083 -1.488 0.00 0.00 +0.193 C BRANCH 57 59 ATOM 58 C ALA A 1 -13.940 -1.236 -2.438 0.00 0.00 +0.255 C ATOM 59 N ARG A 2 -13.597 -0.214 -1.645 0.00 0.00 -0.203 NA ATOM 60 O ALA A 1 -13.163 -2.097 -2.942 0.00 0.00 -0.272 OA BRANCH 58 61 ATOM 61 CA ALA A 1 -15.483 -1.400 -2.697 0.00 0.00 +0.192 C ATOM 62 CB ALA A 1 -15.945 -1.546 -4.278 0.00 0.00 +0.027 C BRANCH 61 65 ATOM 63 C UNK A 0 -18.689 0.222 -2.665 0.00 0.00 +0.096 C ATOM 64 C UNK A 0 -17.150 0.216 -2.361 0.00 0.00 +0.242 C ATOM 65 N ALA A 1 -16.626 -0.912 -1.940 0.00 0.00 -0.204 NA ATOM 66 O UNK A 0 -16.762 1.376 -2.438 0.00 0.00 -0.273 OA ENDBRANCH 61 65 ENDBRANCH 58 61 ENDBRANCH 57 59 BRANCH 57 67 ATOM 67 CB ARG A 2 -11.995 1.536 -1.693 0.00 0.00 +0.027 C BRANCH 67 68 ATOM 68 CG ARG A 2 -12.263 3.053 -1.781 0.00 0.00 +0.028 C BRANCH 68 69 ATOM 69 CD ARG A 2 -12.743 4.513 -1.747 0.00 0.00 +0.129 C BRANCH 69 70 ATOM 70 NE ARG A 2 -13.317 5.731 -1.634 0.00 0.00 -0.234 NA ATOM 71 CZ ARG A 2 -14.586 5.740 -1.428 0.00 0.00 +0.284 C ATOM 72 NH2 ARG A 2 -15.471 4.554 -1.425 0.00 0.00 -0.104 NA ATOM 73 NH1 ARG A 2 -15.218 7.021 -1.157 0.00 0.00 -0.104 NA ENDBRANCH 69 70 ENDBRANCH 68 69 ENDBRANCH 67 68 ENDBRANCH 57 67 ENDBRANCH 54 57 ENDBRANCH 50 55 ENDBRANCH 47 50 ENDBRANCH 46 48 BRANCH 46 74 ATOM 74 CB LYS A 4 -5.519 -1.968 0.107 0.00 0.00 +0.025 C BRANCH 74 75 ATOM 75 CG LYS A 4 -6.068 -3.402 0.166 0.00 0.00 +0.003 C BRANCH 75 76 ATOM 76 CD LYS A 4 -6.756 -4.780 0.373 0.00 0.00 +0.021 C BRANCH 76 77 ATOM 77 CE LYS A 4 -7.438 -6.184 0.421 0.00 0.00 +0.109 C ATOM 78 NZ LYS A 4 -8.024 -7.507 0.490 0.00 0.00 -0.131 NA ENDBRANCH 76 77 ENDBRANCH 75 76 ENDBRANCH 74 75 ENDBRANCH 46 74 ENDBRANCH 43 46 ENDBRANCH 1 44 BRANCH 1 79 ATOM 79 CB GLN A 5 -0.852 0.766 -0.272 0.00 0.00 +0.035 C BRANCH 79 80 ATOM 80 CG GLN A 5 -0.436 2.251 -0.430 0.00 0.00 +0.090 C BRANCH 80 81 ATOM 81 CD GLN A 5 -0.102 3.627 -0.600 0.00 0.00 +0.261 C ATOM 82 OE1 GLN A 5 0.692 4.052 -1.435 0.00 0.00 -0.272 OA ATOM 83 NE2 GLN A 5 -0.750 4.641 0.234 0.00 0.00 -0.088 NA ENDBRANCH 80 81 ENDBRANCH 79 80 ENDBRANCH 1 79 TORSDOF 42