REMARK Name = BDB000240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA GLN A 2 2.201 2.851 2.298 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C ALA A 1 0.323 2.239 0.807 0.00 0.00 +0.234 C ATOM 3 N GLN A 2 1.486 1.888 1.458 0.00 0.00 -0.302 N ATOM 4 H GLN A 2 1.988 1.052 1.163 0.00 0.00 +0.150 HD ATOM 5 O ALA A 1 -0.194 3.348 0.943 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA ALA A 1 -0.296 1.135 -0.080 0.00 0.00 +0.156 C ATOM 7 CB ALA A 1 0.623 0.792 -1.247 0.00 0.00 +0.038 C BRANCH 6 9 ATOM 8 C ALA A 1 -2.733 1.495 0.152 0.00 0.00 +0.234 C ATOM 9 N ALA A 1 -1.581 1.605 -0.600 0.00 0.00 -0.303 N ATOM 10 H ALA A 1 -1.531 2.389 -1.233 0.00 0.00 +0.149 HD ATOM 11 O ALA A 1 -2.791 0.846 1.199 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 CA ALA A 1 -3.972 2.227 -0.425 0.00 0.00 +0.162 C BRANCH 12 13 ATOM 13 N ALA A 1 -5.163 1.610 0.172 0.00 0.00 -0.302 N ATOM 14 H ALA A 1 -5.001 0.918 0.904 0.00 0.00 +0.150 HD ATOM 15 C UNK A 0 -6.404 1.707 -0.410 0.00 0.00 +0.231 C ATOM 16 O UNK A 0 -6.599 2.306 -1.468 0.00 0.00 -0.274 OA BRANCH 15 17 ATOM 17 C UNK A 0 -7.532 0.994 0.338 0.00 0.00 +0.203 C BRANCH 17 18 ATOM 18 N UNK A 0 -8.087 -0.118 -0.441 0.00 0.00 -0.291 N ATOM 19 C UNK A 0 -7.562 -1.382 -0.209 0.00 0.00 +0.236 C ATOM 20 O UNK A 0 -6.672 -1.559 0.629 0.00 0.00 -0.274 OA ATOM 21 C UNK A 0 -8.093 -2.573 -1.030 0.00 0.00 +0.159 C ATOM 22 C UNK A 0 -7.651 -2.474 -2.495 0.00 0.00 +0.032 C ATOM 23 C UNK A 0 -8.459 -1.512 -3.362 0.00 0.00 +0.004 C ATOM 24 C UNK A 0 -8.354 -0.053 -2.933 0.00 0.00 +0.019 C ATOM 25 C UNK A 0 -8.964 0.224 -1.562 0.00 0.00 +0.108 C BRANCH 21 26 ATOM 26 N UNK A 0 -9.532 -2.755 -0.835 0.00 0.00 -0.303 N ATOM 27 H UNK A 0 -9.955 -2.257 -0.060 0.00 0.00 +0.149 HD ATOM 28 C UNK A 0 -10.173 -3.909 -1.256 0.00 0.00 +0.230 C ATOM 29 O UNK A 0 -9.618 -4.792 -1.899 0.00 0.00 -0.274 OA BRANCH 28 30 ATOM 30 C UNK A 0 -11.663 -3.950 -0.847 0.00 0.00 +0.135 C ATOM 31 C UNK A 0 -12.327 -5.266 -1.235 0.00 0.00 +0.033 C BRANCH 30 32 ATOM 32 N UNK A 0 -12.381 -2.826 -1.487 0.00 0.00 -0.320 NA ATOM 33 H UNK A 0 -12.360 -2.967 -2.500 0.00 0.00 +0.119 HD ATOM 34 H UNK A 0 -11.867 -1.962 -1.321 0.00 0.00 +0.119 HD ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 21 26 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 12 13 BRANCH 12 35 ATOM 35 CB ALA A 1 -3.984 3.762 -0.193 0.00 0.00 +0.015 C ATOM 36 CG2 ALA A 1 -3.788 4.123 1.286 0.00 0.00 +0.010 C BRANCH 35 38 ATOM 37 CD1 ALA A 1 -3.165 4.356 -2.556 0.00 0.00 +0.004 C ATOM 38 CG1 ALA A 1 -3.005 4.580 -1.058 0.00 0.00 +0.002 C ENDBRANCH 35 38 ENDBRANCH 12 35 ENDBRANCH 8 12 ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 39 ATOM 39 C GLN A 2 3.687 2.764 1.901 0.00 0.00 +0.234 C ATOM 40 N LYS A 3 4.374 1.684 2.438 0.00 0.00 -0.302 N ATOM 41 H LYS A 3 3.786 0.951 2.813 0.00 0.00 +0.150 HD ATOM 42 O GLN A 2 4.178 3.504 1.049 0.00 0.00 -0.274 OA BRANCH 40 43 ATOM 43 CA LYS A 3 5.573 1.209 1.756 0.00 0.00 +0.159 C BRANCH 43 44 ATOM 44 C LYS A 3 5.104 0.307 0.592 0.00 0.00 +0.234 C ATOM 45 N SER A 4 6.094 -0.068 -0.281 0.00 0.00 -0.301 N ATOM 46 H SER A 4 7.054 0.237 -0.121 0.00 0.00 +0.150 HD ATOM 47 O LYS A 3 3.927 -0.043 0.464 0.00 0.00 -0.274 OA BRANCH 45 48 ATOM 48 CA SER A 4 5.856 -0.991 -1.393 0.00 0.00 +0.184 C BRANCH 48 49 ATOM 49 C SER A 4 7.014 -2.002 -1.357 0.00 0.00 +0.236 C ATOM 50 N GLU A 5 8.197 -1.543 -1.914 0.00 0.00 -0.301 N ATOM 51 H GLU A 5 8.157 -0.569 -2.228 0.00 0.00 +0.150 HD ATOM 52 O SER A 4 6.961 -3.046 -0.709 0.00 0.00 -0.274 OA BRANCH 50 53 ATOM 53 CA GLU A 5 9.457 -1.968 -1.312 0.00 0.00 +0.182 C BRANCH 53 54 ATOM 54 C GLU A 5 9.642 -1.114 -0.041 0.00 0.00 +0.325 C ATOM 55 O GLU A 5 9.073 -0.042 0.150 0.00 0.00 -0.249 OA BRANCH 54 56 ATOM 56 OXT GLU A 5 10.502 -1.639 0.857 0.00 0.00 -0.479 OA ATOM 57 HXT GLU A 5 10.860 -2.515 0.613 0.00 0.00 +0.295 HD ENDBRANCH 54 56 ENDBRANCH 53 54 BRANCH 53 58 ATOM 58 CB GLU A 5 10.636 -1.752 -2.257 0.00 0.00 +0.045 C BRANCH 58 59 ATOM 59 CG GLU A 5 10.555 -2.640 -3.499 0.00 0.00 +0.123 C BRANCH 59 60 ATOM 60 CD GLU A 5 11.790 -2.494 -4.346 0.00 0.00 +0.305 C ATOM 61 OE1 GLU A 5 12.757 -1.789 -4.117 0.00 0.00 -0.251 OA BRANCH 60 62 ATOM 62 OE2 GLU A 5 11.736 -3.264 -5.448 0.00 0.00 -0.481 OA ATOM 63 HE2 GLU A 5 12.581 -3.087 -5.912 0.00 0.00 +0.295 HD ENDBRANCH 60 62 ENDBRANCH 59 60 ENDBRANCH 58 59 ENDBRANCH 53 58 ENDBRANCH 50 53 ENDBRANCH 48 49 BRANCH 48 64 ATOM 64 CB SER A 4 5.733 -0.250 -2.727 0.00 0.00 +0.187 C BRANCH 64 65 ATOM 65 OG SER A 4 6.849 0.636 -2.917 0.00 0.00 -0.393 OA ATOM 66 H SER A 4 6.490 1.544 -2.892 0.00 0.00 +0.209 HD ENDBRANCH 64 65 ENDBRANCH 48 64 ENDBRANCH 45 48 ENDBRANCH 43 44 BRANCH 43 67 ATOM 67 CB LYS A 3 6.556 0.539 2.726 0.00 0.00 +0.032 C BRANCH 67 68 ATOM 68 CG LYS A 3 6.062 -0.677 3.525 0.00 0.00 +0.003 C BRANCH 68 69 ATOM 69 CD LYS A 3 5.940 -1.961 2.699 0.00 0.00 +0.015 C BRANCH 69 70 ATOM 70 CE LYS A 3 5.872 -3.233 3.554 0.00 0.00 +0.077 C BRANCH 70 71 ATOM 71 NZ LYS A 3 4.706 -3.273 4.429 0.00 0.00 -0.330 NA ATOM 72 HZ1 LYS A 3 4.744 -2.507 5.098 0.00 0.00 +0.118 HD ATOM 73 HZ2 LYS A 3 3.859 -3.137 3.878 0.00 0.00 +0.118 HD ENDBRANCH 70 71 ENDBRANCH 69 70 ENDBRANCH 68 69 ENDBRANCH 67 68 ENDBRANCH 43 67 ENDBRANCH 40 43 ENDBRANCH 1 39 BRANCH 1 74 ATOM 74 CB GLN A 2 1.954 2.592 3.788 0.00 0.00 +0.041 C BRANCH 74 75 ATOM 75 CG GLN A 2 0.533 2.963 4.215 0.00 0.00 +0.098 C BRANCH 75 76 ATOM 76 CD GLN A 2 0.296 2.646 5.676 0.00 0.00 +0.211 C ATOM 77 OE1 GLN A 2 1.143 2.195 6.437 0.00 0.00 -0.276 OA ATOM 78 NE2 GLN A 2 -0.969 2.920 6.110 0.00 0.00 -0.329 N ATOM 79 HE21 GLN A 2 -1.198 2.642 7.057 0.00 0.00 +0.145 HD ATOM 80 HE22 GLN A 2 -1.732 3.061 5.459 0.00 0.00 +0.145 HD ENDBRANCH 75 76 ENDBRANCH 74 75 ENDBRANCH 1 74 TORSDOF 34