REMARK Name = BDB052441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA GLN A 5 -2.197 1.036 -0.612 0.00 0.00 +0.193 C ENDROOT BRANCH 1 2 ATOM 2 C GLN A 5 -0.969 0.285 0.148 0.00 0.00 +0.256 C ATOM 3 N THR A 6 0.075 -0.050 -0.687 0.00 0.00 -0.201 NA ATOM 4 O GLN A 5 -1.033 0.128 1.378 0.00 0.00 -0.272 OA BRANCH 3 5 ATOM 5 CA THR A 6 1.366 -0.698 -0.087 0.00 0.00 +0.217 C BRANCH 5 6 ATOM 6 C THR A 6 2.742 0.152 -0.458 0.00 0.00 +0.258 C ATOM 7 N ALA A 7 3.741 0.024 0.479 0.00 0.00 -0.203 NA ATOM 8 O THR A 6 2.796 0.889 -1.463 0.00 0.00 -0.272 OA BRANCH 7 9 ATOM 9 CA ALA A 7 5.066 0.743 0.185 0.00 0.00 +0.193 C ATOM 10 CB ALA A 7 5.114 2.044 1.133 0.00 0.00 +0.027 C BRANCH 9 11 ATOM 11 C ALA A 7 6.426 -0.206 0.449 0.00 0.00 +0.255 C ATOM 12 N ARG A 8 7.650 0.408 0.212 0.00 0.00 -0.203 NA ATOM 13 O ALA A 7 6.286 -1.402 0.741 0.00 0.00 -0.272 OA BRANCH 12 14 ATOM 14 CA ARG A 8 8.812 0.181 1.182 0.00 0.00 +0.193 C BRANCH 14 15 ATOM 15 C ARG A 8 10.319 0.349 0.592 0.00 0.00 +0.255 C ATOM 16 N LYS A 9 11.044 1.281 1.274 0.00 0.00 -0.203 NA ATOM 17 O ARG A 8 10.773 -0.393 -0.287 0.00 0.00 -0.272 OA BRANCH 16 18 ATOM 18 CA LYS A 9 12.405 1.643 0.769 0.00 0.00 +0.192 C BRANCH 18 19 ATOM 19 C LYS A 9 13.671 0.719 1.032 0.00 0.00 +0.256 C ATOM 20 N UNK A 10 14.795 1.169 0.389 0.00 0.00 -0.200 NA ATOM 21 O LYS A 9 13.627 -0.255 1.794 0.00 0.00 -0.272 OA BRANCH 20 22 ATOM 22 C UNK A 10 16.073 0.741 1.027 0.00 0.00 +0.227 C BRANCH 22 23 ATOM 23 C UNK A 10 16.293 1.573 2.315 0.00 0.00 +0.277 C ATOM 24 O UNK A 10 16.997 2.574 2.479 0.00 0.00 -0.270 OA ATOM 25 N UNK A 10 15.727 1.053 3.583 0.00 0.00 -0.087 NA ENDBRANCH 22 23 BRANCH 22 26 ATOM 26 C UNK A 10 17.266 0.874 0.090 0.00 0.00 +0.207 C ATOM 27 O UNK A 10 18.490 0.905 -0.666 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 12.692 2.915 1.491 0.00 0.00 +0.025 C BRANCH 28 29 ATOM 29 CG LYS A 9 12.915 4.068 2.474 0.00 0.00 +0.003 C BRANCH 29 30 ATOM 30 CD LYS A 9 13.020 5.150 3.573 0.00 0.00 +0.021 C BRANCH 30 31 ATOM 31 CE LYS A 9 13.110 6.248 4.659 0.00 0.00 +0.109 C ATOM 32 NZ LYS A 9 13.254 7.290 5.686 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 8.783 -1.138 1.842 0.00 0.00 +0.027 C BRANCH 33 34 ATOM 34 CG ARG A 8 8.553 -2.522 2.476 0.00 0.00 +0.028 C BRANCH 34 35 ATOM 35 CD ARG A 8 7.958 -3.861 2.943 0.00 0.00 +0.129 C BRANCH 35 36 ATOM 36 NE ARG A 8 7.276 -4.987 3.198 0.00 0.00 -0.234 NA ATOM 37 CZ ARG A 8 6.581 -5.431 2.194 0.00 0.00 +0.284 C ATOM 38 NH2 ARG A 8 5.855 -6.689 2.422 0.00 0.00 -0.104 NA ATOM 39 NH1 ARG A 8 6.535 -4.856 0.854 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 1.627 -2.260 -0.457 0.00 0.00 +0.196 C ATOM 41 OG1 THR A 6 1.570 -2.606 -1.747 0.00 0.00 -0.228 OA ATOM 42 CG2 THR A 6 0.601 -3.273 0.225 0.00 0.00 +0.030 C ENDBRANCH 5 40 ENDBRANCH 3 5 ENDBRANCH 1 2 BRANCH 1 44 ATOM 43 C UNK A 4 -4.637 1.411 -0.420 0.00 0.00 +0.254 C ATOM 44 N GLN A 5 -3.481 1.051 0.203 0.00 0.00 -0.203 NA ATOM 45 O UNK A 4 -4.879 2.536 -0.872 0.00 0.00 -0.272 OA BRANCH 43 46 ATOM 46 C UNK A 4 -5.787 0.280 -0.331 0.00 0.00 +0.172 C BRANCH 46 48 ATOM 47 C THR A 3 -8.295 0.092 -0.146 0.00 0.00 +0.242 C ATOM 48 N UNK A 4 -7.175 0.486 -0.948 0.00 0.00 -0.275 N ATOM 49 C ACE A 0 -7.123 0.829 -2.415 0.00 0.00 +0.115 C ATOM 50 O THR A 3 -8.133 -0.106 1.075 0.00 0.00 -0.273 OA BRANCH 47 51 ATOM 51 CA THR A 3 -9.792 -0.120 -0.719 0.00 0.00 +0.215 C BRANCH 51 53 ATOM 52 C ARG A 2 -11.600 0.790 0.821 0.00 0.00 +0.256 C ATOM 53 N THR A 3 -10.678 0.971 -0.149 0.00 0.00 -0.201 NA ATOM 54 O ARG A 2 -11.987 1.750 1.510 0.00 0.00 -0.272 OA BRANCH 52 55 ATOM 55 CA ARG A 2 -12.322 -0.597 1.000 0.00 0.00 +0.193 C BRANCH 55 57 ATOM 56 C ALA A 1 -14.373 -0.660 2.356 0.00 0.00 +0.253 C ATOM 57 N ARG A 2 -13.030 -0.790 2.331 0.00 0.00 -0.203 NA ATOM 58 O ALA A 1 -15.147 -1.613 2.541 0.00 0.00 -0.272 OA BRANCH 56 60 ATOM 59 CB ALA A 1 -15.835 1.252 3.487 0.00 0.00 +0.024 C ATOM 60 CA ALA A 1 -14.859 0.828 2.246 0.00 0.00 +0.188 C ATOM 61 N ALA A 1 -15.700 0.928 1.046 0.00 0.00 -0.129 NA ENDBRANCH 56 60 ENDBRANCH 55 57 BRANCH 55 62 ATOM 62 CB ARG A 2 -13.241 -0.860 -0.127 0.00 0.00 +0.027 C BRANCH 62 63 ATOM 63 CG ARG A 2 -14.167 -1.103 -1.334 0.00 0.00 +0.028 C BRANCH 63 64 ATOM 64 CD ARG A 2 -15.010 -1.343 -2.594 0.00 0.00 +0.129 C BRANCH 64 65 ATOM 65 NE ARG A 2 -15.697 -1.484 -3.740 0.00 0.00 -0.234 NA ATOM 66 CZ ARG A 2 -15.040 -1.327 -4.847 0.00 0.00 +0.284 C ATOM 67 NH2 ARG A 2 -15.795 -1.472 -6.096 0.00 0.00 -0.104 NA ATOM 68 NH1 ARG A 2 -13.616 -1.050 -4.968 0.00 0.00 -0.104 NA ENDBRANCH 64 65 ENDBRANCH 63 64 ENDBRANCH 62 63 ENDBRANCH 55 62 ENDBRANCH 52 55 ENDBRANCH 51 53 BRANCH 51 69 ATOM 69 CB THR A 3 -9.919 -0.501 -2.276 0.00 0.00 +0.196 C ATOM 70 OG1 THR A 3 -10.526 0.408 -3.041 0.00 0.00 -0.228 OA ATOM 71 CG2 THR A 3 -10.803 -1.831 -2.515 0.00 0.00 +0.030 C ENDBRANCH 51 69 ENDBRANCH 47 51 ENDBRANCH 46 48 BRANCH 46 72 ATOM 72 C UNK A 4 -5.204 -0.992 -0.820 0.00 0.00 +0.023 C BRANCH 72 73 ATOM 73 C UNK A 4 -4.198 -2.056 -1.295 0.00 0.00 +0.003 C BRANCH 73 74 ATOM 74 C UNK A 4 -3.001 -2.834 -1.851 0.00 0.00 +0.017 C BRANCH 74 75 ATOM 75 C UNK A 4 -1.779 -3.571 -2.449 0.00 0.00 +0.072 C BRANCH 75 76 ATOM 76 N UNK A 4 -0.599 -4.210 -3.052 0.00 0.00 -0.270 NA ATOM 77 C UNK A 4 -0.613 -3.815 -4.489 0.00 0.00 +0.090 C ATOM 78 C UNK A 4 -0.900 -5.670 -3.174 0.00 0.00 +0.090 C ENDBRANCH 75 76 ENDBRANCH 74 75 ENDBRANCH 73 74 ENDBRANCH 72 73 ENDBRANCH 46 72 ENDBRANCH 43 46 ENDBRANCH 1 44 BRANCH 1 79 ATOM 79 CB GLN A 5 -1.729 2.413 -0.866 0.00 0.00 +0.035 C BRANCH 79 80 ATOM 80 CG GLN A 5 -0.976 3.708 -1.217 0.00 0.00 +0.090 C BRANCH 80 81 ATOM 81 CD GLN A 5 -0.128 4.780 -1.653 0.00 0.00 +0.261 C ATOM 82 OE1 GLN A 5 -0.546 5.899 -1.971 0.00 0.00 -0.272 OA ATOM 83 NE2 GLN A 5 1.307 4.543 -1.769 0.00 0.00 -0.088 NA ENDBRANCH 80 81 ENDBRANCH 79 80 ENDBRANCH 1 79 TORSDOF 42