REMARK Name = BDB052435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C GLN A 5 -1.287 -1.657 -0.586 0.00 0.00 +0.256 C ATOM 2 N THR A 6 -0.026 -1.142 -0.828 0.00 0.00 -0.201 NA ATOM 3 O GLN A 5 -1.540 -2.755 -0.079 0.00 0.00 -0.272 OA ENDROOT BRANCH 2 4 ATOM 4 CA THR A 6 1.270 -2.137 -0.649 0.00 0.00 +0.217 C BRANCH 4 5 ATOM 5 C THR A 6 2.687 -1.214 -0.666 0.00 0.00 +0.258 C ATOM 6 N ALA A 7 3.633 -1.559 0.287 0.00 0.00 -0.203 NA ATOM 7 O THR A 6 2.833 -0.305 -1.503 0.00 0.00 -0.272 OA BRANCH 6 8 ATOM 8 CA ALA A 7 4.816 -0.597 0.445 0.00 0.00 +0.193 C ATOM 9 CB ALA A 7 4.460 0.357 1.725 0.00 0.00 +0.027 C BRANCH 8 10 ATOM 10 C ALA A 7 6.350 -1.284 0.672 0.00 0.00 +0.255 C ATOM 11 N ARG A 8 7.356 -0.386 0.990 0.00 0.00 -0.203 NA ATOM 12 O ALA A 7 6.553 -2.504 0.588 0.00 0.00 -0.272 OA BRANCH 11 13 ATOM 13 CA ARG A 8 8.634 -0.437 0.188 0.00 0.00 +0.193 C BRANCH 13 14 ATOM 14 C ARG A 8 10.050 -0.556 1.027 0.00 0.00 +0.255 C ATOM 15 N LYS A 9 11.005 0.381 0.706 0.00 0.00 -0.203 NA ATOM 16 O ARG A 8 10.235 -1.513 1.797 0.00 0.00 -0.272 OA BRANCH 15 17 ATOM 17 CA LYS A 9 12.430 0.052 1.060 0.00 0.00 +0.192 C BRANCH 17 18 ATOM 18 C LYS A 9 13.455 1.288 0.910 0.00 0.00 +0.256 C ATOM 19 N UNK A 10 14.489 1.263 1.817 0.00 0.00 -0.200 NA ATOM 20 O LYS A 9 13.378 2.088 -0.033 0.00 0.00 -0.272 OA BRANCH 19 21 ATOM 21 C UNK A 10 15.726 1.932 1.322 0.00 0.00 +0.227 C BRANCH 21 22 ATOM 22 C UNK A 10 16.403 1.029 0.266 0.00 0.00 +0.277 C ATOM 23 O UNK A 10 17.107 0.032 0.440 0.00 0.00 -0.270 OA ATOM 24 N UNK A 10 16.348 1.474 -1.145 0.00 0.00 -0.087 NA ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C UNK A 10 16.732 2.310 2.407 0.00 0.00 +0.207 C ATOM 26 O UNK A 10 17.718 2.740 3.349 0.00 0.00 -0.218 OA ENDBRANCH 21 25 ENDBRANCH 19 21 ENDBRANCH 17 18 BRANCH 17 27 ATOM 27 CB LYS A 9 12.939 -0.966 0.095 0.00 0.00 +0.025 C BRANCH 27 28 ATOM 28 CG LYS A 9 13.597 -1.989 -0.851 0.00 0.00 +0.003 C BRANCH 28 29 ATOM 29 CD LYS A 9 14.409 -2.932 -1.757 0.00 0.00 +0.021 C BRANCH 29 30 ATOM 30 CE LYS A 9 15.337 -3.837 -2.593 0.00 0.00 +0.109 C ATOM 31 NZ LYS A 9 16.264 -4.634 -3.404 0.00 0.00 -0.131 NA ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 17 27 ENDBRANCH 15 17 ENDBRANCH 13 14 BRANCH 13 32 ATOM 32 CB ARG A 8 8.616 0.813 -0.628 0.00 0.00 +0.027 C BRANCH 32 33 ATOM 33 CG ARG A 8 8.733 2.223 -1.244 0.00 0.00 +0.028 C BRANCH 33 34 ATOM 34 CD ARG A 8 9.013 3.708 -1.524 0.00 0.00 +0.129 C BRANCH 34 35 ATOM 35 NE ARG A 8 9.383 5.001 -1.542 0.00 0.00 -0.234 NA ATOM 36 CZ ARG A 8 10.330 5.323 -0.716 0.00 0.00 +0.284 C ATOM 37 NH2 ARG A 8 11.033 4.401 0.160 0.00 0.00 -0.104 NA ATOM 38 NH1 ARG A 8 10.742 6.730 -0.711 0.00 0.00 -0.104 NA ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 13 32 ENDBRANCH 11 13 ENDBRANCH 8 10 ENDBRANCH 6 8 ENDBRANCH 4 5 BRANCH 4 39 ATOM 39 CB THR A 6 1.202 -3.379 -1.693 0.00 0.00 +0.196 C ATOM 40 OG1 THR A 6 1.750 -4.531 -1.251 0.00 0.00 -0.228 OA ATOM 41 CG2 THR A 6 1.877 -3.173 -3.141 0.00 0.00 +0.030 C ENDBRANCH 4 39 ENDBRANCH 2 4 BRANCH 1 42 ATOM 42 CA GLN A 5 -2.523 -0.636 -1.050 0.00 0.00 +0.193 C BRANCH 42 44 ATOM 43 C LYS A 4 -4.983 -0.406 -1.508 0.00 0.00 +0.255 C ATOM 44 N GLN A 5 -3.988 -1.105 -0.837 0.00 0.00 -0.203 NA ATOM 45 O LYS A 4 -4.792 0.403 -2.424 0.00 0.00 -0.272 OA BRANCH 43 46 ATOM 46 CA LYS A 4 -6.486 -0.678 -0.915 0.00 0.00 +0.192 C BRANCH 46 48 ATOM 47 C THR A 3 -8.721 -0.397 -2.122 0.00 0.00 +0.258 C ATOM 48 N LYS A 4 -7.743 0.143 -1.327 0.00 0.00 -0.203 NA ATOM 49 O THR A 3 -8.503 -1.231 -3.015 0.00 0.00 -0.272 OA BRANCH 47 50 ATOM 50 CA THR A 3 -10.296 0.011 -1.778 0.00 0.00 +0.217 C BRANCH 50 52 ATOM 51 C ARG A 2 -11.704 1.184 -0.103 0.00 0.00 +0.256 C ATOM 52 N THR A 3 -10.536 1.215 -0.798 0.00 0.00 -0.201 NA ATOM 53 O ARG A 2 -12.567 0.292 -0.073 0.00 0.00 -0.272 OA BRANCH 51 54 ATOM 54 CA ARG A 2 -11.882 2.431 0.838 0.00 0.00 +0.193 C BRANCH 54 56 ATOM 55 C ALA A 1 -14.282 2.788 0.895 0.00 0.00 +0.253 C ATOM 56 N ARG A 2 -13.075 3.313 0.596 0.00 0.00 -0.203 NA ATOM 57 O ALA A 1 -14.925 3.107 1.912 0.00 0.00 -0.272 OA BRANCH 55 59 ATOM 58 CB ALA A 1 -16.126 2.764 -0.995 0.00 0.00 +0.024 C ATOM 59 CA ALA A 1 -14.894 1.944 -0.279 0.00 0.00 +0.188 C ATOM 60 N ALA A 1 -15.526 0.754 0.314 0.00 0.00 -0.129 NA ENDBRANCH 55 59 ENDBRANCH 54 56 BRANCH 54 61 ATOM 61 CB ARG A 2 -11.901 1.936 2.248 0.00 0.00 +0.027 C BRANCH 61 62 ATOM 62 CG ARG A 2 -11.948 1.220 3.619 0.00 0.00 +0.028 C BRANCH 62 63 ATOM 63 CD ARG A 2 -12.043 0.336 4.870 0.00 0.00 +0.129 C BRANCH 63 64 ATOM 64 NE ARG A 2 -12.159 -0.529 5.897 0.00 0.00 -0.234 NA ATOM 65 CZ ARG A 2 -12.635 -1.698 5.621 0.00 0.00 +0.284 C ATOM 66 NH2 ARG A 2 -13.167 -2.119 4.320 0.00 0.00 -0.104 NA ATOM 67 NH1 ARG A 2 -12.727 -2.653 6.729 0.00 0.00 -0.104 NA ENDBRANCH 63 64 ENDBRANCH 62 63 ENDBRANCH 61 62 ENDBRANCH 54 61 ENDBRANCH 51 54 ENDBRANCH 50 52 BRANCH 50 68 ATOM 68 CB THR A 3 -11.364 0.130 -3.042 0.00 0.00 +0.196 C ATOM 69 OG1 THR A 3 -11.863 -1.033 -3.504 0.00 0.00 -0.228 OA ATOM 70 CG2 THR A 3 -10.865 0.906 -4.356 0.00 0.00 +0.030 C ENDBRANCH 50 68 ENDBRANCH 47 50 ENDBRANCH 46 48 BRANCH 46 71 ATOM 71 CB LYS A 4 -6.787 -2.136 -0.808 0.00 0.00 +0.025 C BRANCH 71 72 ATOM 72 CG LYS A 4 -7.160 -3.617 -0.627 0.00 0.00 +0.003 C BRANCH 72 73 ATOM 73 CD LYS A 4 -7.579 -5.086 -0.433 0.00 0.00 +0.021 C BRANCH 73 74 ATOM 74 CE LYS A 4 -8.047 -6.532 -0.211 0.00 0.00 +0.109 C ATOM 75 NZ LYS A 4 -8.511 -7.894 0.073 0.00 0.00 -0.131 NA ENDBRANCH 73 74 ENDBRANCH 72 73 ENDBRANCH 71 72 ENDBRANCH 46 71 ENDBRANCH 43 46 ENDBRANCH 42 44 BRANCH 42 76 ATOM 76 CB GLN A 5 -2.364 0.628 -0.285 0.00 0.00 +0.035 C BRANCH 76 77 ATOM 77 CG GLN A 5 -2.185 1.989 0.419 0.00 0.00 +0.090 C BRANCH 77 78 ATOM 78 CD GLN A 5 -1.962 3.321 0.890 0.00 0.00 +0.261 C ATOM 79 OE1 GLN A 5 -2.203 3.718 2.028 0.00 0.00 -0.272 OA ATOM 80 NE2 GLN A 5 -1.432 4.298 -0.067 0.00 0.00 -0.088 NA ENDBRANCH 77 78 ENDBRANCH 76 77 ENDBRANCH 42 76 ENDBRANCH 1 42 TORSDOF 41