REMARK Name = BDB052440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA GLN A 5 1.498 0.365 0.398 0.00 0.00 +0.193 C ENDROOT BRANCH 1 2 ATOM 2 C GLN A 5 0.088 1.111 0.032 0.00 0.00 +0.256 C ATOM 3 N THR A 6 -0.656 1.533 1.087 0.00 0.00 -0.201 NA ATOM 4 O GLN A 5 -0.292 1.061 -1.153 0.00 0.00 -0.272 OA BRANCH 3 5 ATOM 5 CA THR A 6 -2.039 2.352 0.818 0.00 0.00 +0.217 C BRANCH 5 6 ATOM 6 CB THR A 6 -1.761 3.811 0.120 0.00 0.00 +0.196 C ATOM 7 OG1 THR A 6 -1.987 4.840 0.971 0.00 0.00 -0.228 OA ATOM 8 CG2 THR A 6 -2.633 4.220 -1.184 0.00 0.00 +0.030 C ENDBRANCH 5 6 BRANCH 5 9 ATOM 9 C THR A 6 -3.382 1.475 0.351 0.00 0.00 +0.258 C ATOM 10 N ALA A 7 -4.436 1.558 1.234 0.00 0.00 -0.203 NA ATOM 11 O THR A 6 -3.434 0.871 -0.729 0.00 0.00 -0.272 OA BRANCH 10 12 ATOM 12 CA ALA A 7 -5.529 0.509 1.093 0.00 0.00 +0.193 C ATOM 13 CB ALA A 7 -5.466 -0.324 2.502 0.00 0.00 +0.027 C BRANCH 12 14 ATOM 14 C ALA A 7 -7.110 1.039 0.825 0.00 0.00 +0.255 C ATOM 15 N ARG A 8 -8.122 0.144 1.161 0.00 0.00 -0.203 NA ATOM 16 O ALA A 7 -7.361 2.171 0.378 0.00 0.00 -0.272 OA BRANCH 15 17 ATOM 17 CA ARG A 8 -8.793 -0.527 -0.017 0.00 0.00 +0.193 C BRANCH 17 18 ATOM 18 C ARG A 8 -10.195 -1.349 0.309 0.00 0.00 +0.255 C ATOM 19 N LYS A 9 -11.284 -0.563 0.488 0.00 0.00 -0.203 NA ATOM 20 O ARG A 8 -10.168 -2.580 0.494 0.00 0.00 -0.272 OA BRANCH 19 21 ATOM 21 CA LYS A 9 -12.556 -0.831 -0.244 0.00 0.00 +0.192 C BRANCH 21 22 ATOM 22 C LYS A 9 -13.323 -2.174 -0.488 0.00 0.00 +0.256 C ATOM 23 N UNK A 10 -14.618 -2.007 -0.903 0.00 0.00 -0.200 NA ATOM 24 O LYS A 9 -12.849 -3.286 -0.242 0.00 0.00 -0.272 OA BRANCH 23 25 ATOM 25 C UNK A 10 -15.083 -3.078 -1.837 0.00 0.00 +0.227 C BRANCH 25 26 ATOM 26 C UNK A 10 -14.784 -2.607 -3.259 0.00 0.00 +0.277 C ATOM 27 O UNK A 10 -14.217 -3.277 -4.125 0.00 0.00 -0.270 OA ATOM 28 N UNK A 10 -15.296 -1.313 -3.728 0.00 0.00 -0.087 NA ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C UNK A 10 -16.537 -3.464 -1.706 0.00 0.00 +0.207 C ATOM 30 O UNK A 10 -17.908 -3.899 -1.728 0.00 0.00 -0.218 OA ENDBRANCH 25 29 ENDBRANCH 23 25 ENDBRANCH 21 22 BRANCH 21 31 ATOM 31 CB LYS A 9 -12.476 -0.014 -1.499 0.00 0.00 +0.025 C BRANCH 31 32 ATOM 32 CG LYS A 9 -12.394 1.001 -2.673 0.00 0.00 +0.003 C BRANCH 32 33 ATOM 33 CD LYS A 9 -12.416 2.320 -3.482 0.00 0.00 +0.021 C BRANCH 33 34 ATOM 34 CE LYS A 9 -12.620 3.802 -3.879 0.00 0.00 +0.109 C ATOM 35 NZ LYS A 9 -12.661 5.224 -4.224 0.00 0.00 -0.131 NA ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 21 31 ENDBRANCH 19 21 ENDBRANCH 17 18 BRANCH 17 36 ATOM 36 CB ARG A 8 -7.834 -1.579 -0.440 0.00 0.00 +0.027 C BRANCH 36 37 ATOM 37 CG ARG A 8 -6.758 -2.677 -0.568 0.00 0.00 +0.028 C BRANCH 37 38 ATOM 38 CD ARG A 8 -5.580 -3.641 -0.319 0.00 0.00 +0.129 C BRANCH 38 39 ATOM 39 NE ARG A 8 -4.462 -4.301 0.016 0.00 0.00 -0.234 NA ATOM 40 CZ ARG A 8 -3.332 -3.840 -0.414 0.00 0.00 +0.284 C ATOM 41 NH2 ARG A 8 -2.104 -4.529 0.004 0.00 0.00 -0.104 NA ATOM 42 NH1 ARG A 8 -3.203 -2.740 -1.377 0.00 0.00 -0.104 NA ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 17 36 ENDBRANCH 15 17 ENDBRANCH 12 14 ENDBRANCH 10 12 ENDBRANCH 5 9 ENDBRANCH 3 5 ENDBRANCH 1 2 BRANCH 1 44 ATOM 43 C UNK A 4 3.889 0.882 0.326 0.00 0.00 +0.254 C ATOM 44 N GLN A 5 2.745 1.003 1.053 0.00 0.00 -0.203 NA ATOM 45 O UNK A 4 4.013 1.308 -0.845 0.00 0.00 -0.272 OA BRANCH 43 46 ATOM 46 C UNK A 4 5.160 0.175 0.977 0.00 0.00 +0.172 C BRANCH 46 47 ATOM 47 N UNK A 4 6.456 1.029 1.038 0.00 0.00 -0.275 N ATOM 48 C THR A 3 7.523 0.722 0.098 0.00 0.00 +0.242 C ATOM 49 O THR A 3 7.351 -0.096 -0.829 0.00 0.00 -0.273 OA ATOM 50 C ACE A 0 6.625 1.735 2.370 0.00 0.00 +0.115 C BRANCH 48 51 ATOM 51 CA THR A 3 8.922 1.542 0.234 0.00 0.00 +0.215 C BRANCH 51 52 ATOM 52 CB THR A 3 8.725 2.945 -0.571 0.00 0.00 +0.196 C ATOM 53 OG1 THR A 3 9.802 3.394 -1.234 0.00 0.00 -0.228 OA ATOM 54 CG2 THR A 3 8.444 4.179 0.441 0.00 0.00 +0.030 C ENDBRANCH 51 52 BRANCH 51 55 ATOM 55 N THR A 3 10.107 0.679 -0.256 0.00 0.00 -0.201 NA ATOM 56 C ARG A 2 10.818 0.080 0.730 0.00 0.00 +0.256 C ATOM 57 O ARG A 2 10.346 -0.466 1.732 0.00 0.00 -0.272 OA BRANCH 56 58 ATOM 58 CA ARG A 2 12.363 0.067 0.504 0.00 0.00 +0.193 C BRANCH 58 59 ATOM 59 N ARG A 2 12.830 -1.178 -0.174 0.00 0.00 -0.203 NA ATOM 60 C ALA A 1 13.520 -1.022 -1.301 0.00 0.00 +0.253 C ATOM 61 O ALA A 1 14.742 -1.250 -1.409 0.00 0.00 -0.272 OA BRANCH 60 62 ATOM 62 CA ALA A 1 12.643 -0.613 -2.544 0.00 0.00 +0.188 C ATOM 63 N ALA A 1 13.355 0.504 -3.206 0.00 0.00 -0.129 NA ATOM 64 CB ALA A 1 12.624 -1.786 -3.672 0.00 0.00 +0.024 C ENDBRANCH 60 62 ENDBRANCH 58 59 BRANCH 58 65 ATOM 65 CB ARG A 2 12.901 1.334 -0.035 0.00 0.00 +0.027 C BRANCH 65 66 ATOM 66 CG ARG A 2 13.376 2.678 -0.613 0.00 0.00 +0.028 C BRANCH 66 67 ATOM 67 CD ARG A 2 13.928 4.016 -1.178 0.00 0.00 +0.129 C BRANCH 67 68 ATOM 68 NE ARG A 2 14.309 5.203 -1.672 0.00 0.00 -0.234 NA ATOM 69 CZ ARG A 2 13.564 6.211 -1.346 0.00 0.00 +0.284 C ATOM 70 NH2 ARG A 2 13.960 7.524 -1.887 0.00 0.00 -0.104 NA ATOM 71 NH1 ARG A 2 12.413 6.204 -0.431 0.00 0.00 -0.104 NA ENDBRANCH 67 68 ENDBRANCH 66 67 ENDBRANCH 65 66 ENDBRANCH 58 65 ENDBRANCH 56 58 ENDBRANCH 51 55 ENDBRANCH 48 51 ENDBRANCH 46 47 BRANCH 46 72 ATOM 72 C UNK A 4 5.001 -0.706 2.193 0.00 0.00 +0.023 C BRANCH 72 73 ATOM 73 C UNK A 4 5.143 -1.649 3.468 0.00 0.00 +0.003 C BRANCH 73 74 ATOM 74 C UNK A 4 5.398 -2.712 4.599 0.00 0.00 +0.019 C BRANCH 74 75 ATOM 75 C UNK A 4 5.663 -3.834 5.654 0.00 0.00 +0.089 C BRANCH 75 77 ATOM 76 C UNK A 4 6.834 -4.883 7.559 0.00 0.00 +0.107 C ATOM 77 N UNK A 4 5.775 -5.018 6.523 0.00 0.00 -0.217 NA ENDBRANCH 75 77 ENDBRANCH 74 75 ENDBRANCH 73 74 ENDBRANCH 72 73 ENDBRANCH 46 72 ENDBRANCH 43 46 ENDBRANCH 1 44 BRANCH 1 78 ATOM 78 CB GLN A 5 1.163 -0.829 1.228 0.00 0.00 +0.035 C BRANCH 78 79 ATOM 79 CG GLN A 5 0.753 -2.005 2.133 0.00 0.00 +0.090 C BRANCH 79 80 ATOM 80 CD GLN A 5 0.155 -3.023 2.928 0.00 0.00 +0.261 C ATOM 81 OE1 GLN A 5 0.659 -4.131 3.063 0.00 0.00 -0.272 OA ATOM 82 NE2 GLN A 5 -1.122 -2.756 3.565 0.00 0.00 -0.088 NA ENDBRANCH 79 80 ENDBRANCH 78 79 ENDBRANCH 1 78 TORSDOF 42