REMARK Name = BDB000239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA GLN A 6 2.198 -1.578 -1.276 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C ALA A 5 0.127 -1.024 -0.009 0.00 0.00 +0.234 C ATOM 3 N GLN A 6 1.414 -0.715 -0.390 0.00 0.00 -0.302 N ATOM 4 H GLN A 6 1.925 -0.006 0.124 0.00 0.00 +0.150 HD ATOM 5 O ALA A 5 -0.506 -1.946 -0.517 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA ALA A 5 -0.473 -0.078 1.058 0.00 0.00 +0.156 C ATOM 7 CB ALA A 5 0.311 -0.155 2.362 0.00 0.00 +0.038 C BRANCH 6 9 ATOM 8 C ILE A 4 -2.845 -0.068 0.396 0.00 0.00 +0.234 C ATOM 9 N ALA A 5 -1.874 -0.403 1.314 0.00 0.00 -0.303 N ATOM 10 H ALA A 5 -2.061 -1.169 1.947 0.00 0.00 +0.149 HD ATOM 11 O ILE A 4 -2.587 0.537 -0.648 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 CA ILE A 4 -4.298 -0.437 0.786 0.00 0.00 +0.162 C BRANCH 12 13 ATOM 13 N ILE A 4 -5.170 0.060 -0.277 0.00 0.00 -0.302 N ATOM 14 H ILE A 4 -4.797 -0.076 -1.210 0.00 0.00 +0.150 HD ATOM 15 C PRO A 3 -6.003 1.147 -0.095 0.00 0.00 +0.234 C ATOM 16 O PRO A 3 -6.191 1.686 0.991 0.00 0.00 -0.274 OA BRANCH 15 17 ATOM 17 CA PRO A 3 -6.675 1.593 -1.404 0.00 0.00 +0.162 C ATOM 18 N PRO A 3 -7.879 2.403 -1.216 0.00 0.00 -0.288 N ATOM 19 C VAL A 2 -9.111 2.013 -0.748 0.00 0.00 +0.237 C ATOM 20 O VAL A 2 -10.087 2.777 -0.836 0.00 0.00 -0.274 OA ATOM 21 CD PRO A 3 -7.690 3.737 -1.760 0.00 0.00 +0.109 C ATOM 22 CG PRO A 3 -6.184 3.896 -1.859 0.00 0.00 +0.021 C ATOM 23 CB PRO A 3 -5.720 2.488 -2.205 0.00 0.00 +0.033 C BRANCH 19 24 ATOM 24 CA VAL A 2 -9.302 0.614 -0.084 0.00 0.00 +0.162 C BRANCH 24 25 ATOM 25 N VAL A 2 -10.582 0.713 0.633 0.00 0.00 -0.302 N ATOM 26 H VAL A 2 -11.198 1.437 0.269 0.00 0.00 +0.150 HD ATOM 27 C ALA A 1 -10.731 0.302 1.940 0.00 0.00 +0.230 C ATOM 28 O ALA A 1 -9.892 -0.381 2.526 0.00 0.00 -0.274 OA BRANCH 27 29 ATOM 29 CA ALA A 1 -12.057 0.744 2.594 0.00 0.00 +0.135 C ATOM 30 CB ALA A 1 -12.091 2.256 2.799 0.00 0.00 +0.033 C BRANCH 29 31 ATOM 31 N ALA A 1 -12.224 0.076 3.901 0.00 0.00 -0.320 NA ATOM 32 H1 ALA A 1 -12.192 -0.933 3.741 0.00 0.00 +0.119 HD ATOM 33 H2 ALA A 1 -11.373 0.255 4.443 0.00 0.00 +0.119 HD ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 CB VAL A 2 -9.290 -0.576 -1.075 0.00 0.00 +0.012 C ATOM 35 CG2 VAL A 2 -9.647 -1.905 -0.403 0.00 0.00 +0.009 C ATOM 36 CG1 VAL A 2 -10.198 -0.351 -2.289 0.00 0.00 +0.009 C ENDBRANCH 24 34 ENDBRANCH 19 24 ENDBRANCH 15 17 ENDBRANCH 12 13 BRANCH 12 37 ATOM 37 CB ILE A 4 -4.557 -1.937 1.077 0.00 0.00 +0.015 C ATOM 38 CG2 ILE A 4 -5.761 -2.065 2.025 0.00 0.00 +0.010 C BRANCH 37 40 ATOM 39 CD1 ILE A 4 -3.649 -2.942 -1.110 0.00 0.00 +0.004 C ATOM 40 CG1 ILE A 4 -4.825 -2.821 -0.159 0.00 0.00 +0.002 C ENDBRANCH 37 40 ENDBRANCH 12 37 ENDBRANCH 8 12 ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 41 ATOM 41 C GLN A 6 3.524 -1.865 -0.530 0.00 0.00 +0.234 C ATOM 42 N LYS A 7 4.691 -1.485 -1.160 0.00 0.00 -0.302 N ATOM 43 H LYS A 7 4.626 -0.692 -1.780 0.00 0.00 +0.150 HD ATOM 44 O GLN A 6 3.525 -2.351 0.604 0.00 0.00 -0.274 OA BRANCH 42 45 ATOM 45 CA LYS A 7 5.954 -1.572 -0.432 0.00 0.00 +0.159 C BRANCH 45 46 ATOM 46 C LYS A 7 6.069 -0.323 0.470 0.00 0.00 +0.234 C ATOM 47 N SER A 8 6.944 -0.466 1.521 0.00 0.00 -0.301 N ATOM 48 H SER A 8 7.611 -1.232 1.497 0.00 0.00 +0.150 HD ATOM 49 O LYS A 7 5.451 0.720 0.247 0.00 0.00 -0.274 OA BRANCH 47 50 ATOM 50 CA SER A 8 7.400 0.686 2.289 0.00 0.00 +0.184 C BRANCH 50 51 ATOM 51 C SER A 8 8.680 1.240 1.626 0.00 0.00 +0.236 C ATOM 52 N GLU A 9 9.064 2.497 2.057 0.00 0.00 -0.301 N ATOM 53 H GLU A 9 8.654 2.842 2.916 0.00 0.00 +0.150 HD ATOM 54 O SER A 8 9.317 0.614 0.782 0.00 0.00 -0.274 OA BRANCH 52 55 ATOM 55 CA GLU A 9 10.409 3.007 1.756 0.00 0.00 +0.182 C BRANCH 55 56 ATOM 56 C GLU A 9 11.261 2.651 2.974 0.00 0.00 +0.325 C ATOM 57 O GLU A 9 10.869 2.599 4.129 0.00 0.00 -0.249 OA BRANCH 56 58 ATOM 58 OXT GLU A 9 12.553 2.417 2.669 0.00 0.00 -0.479 OA ATOM 59 HXT GLU A 9 12.976 2.174 3.518 0.00 0.00 +0.295 HD ENDBRANCH 56 58 ENDBRANCH 55 56 BRANCH 55 60 ATOM 60 CB GLU A 9 10.337 4.516 1.510 0.00 0.00 +0.045 C BRANCH 60 61 ATOM 61 CG GLU A 9 11.608 5.115 0.904 0.00 0.00 +0.123 C BRANCH 61 62 ATOM 62 CD GLU A 9 12.749 5.329 1.863 0.00 0.00 +0.305 C ATOM 63 OE1 GLU A 9 13.934 5.279 1.582 0.00 0.00 -0.251 OA BRANCH 62 64 ATOM 64 OE2 GLU A 9 12.360 5.674 3.104 0.00 0.00 -0.481 OA ATOM 65 HE2 GLU A 9 13.204 5.860 3.573 0.00 0.00 +0.295 HD ENDBRANCH 62 64 ENDBRANCH 61 62 ENDBRANCH 60 61 ENDBRANCH 55 60 ENDBRANCH 52 55 ENDBRANCH 50 51 BRANCH 50 66 ATOM 66 CB SER A 8 7.665 0.286 3.744 0.00 0.00 +0.187 C BRANCH 66 67 ATOM 67 OG SER A 8 8.561 -0.821 3.816 0.00 0.00 -0.393 OA ATOM 68 H SER A 8 8.635 -1.072 4.755 0.00 0.00 +0.209 HD ENDBRANCH 66 67 ENDBRANCH 50 66 ENDBRANCH 47 50 ENDBRANCH 45 46 BRANCH 45 69 ATOM 69 CB LYS A 7 7.146 -1.613 -1.399 0.00 0.00 +0.032 C BRANCH 69 70 ATOM 70 CG LYS A 7 7.157 -2.883 -2.256 0.00 0.00 +0.003 C BRANCH 70 71 ATOM 71 CD LYS A 7 8.373 -2.913 -3.188 0.00 0.00 +0.015 C BRANCH 71 72 ATOM 72 CE LYS A 7 8.421 -4.158 -4.077 0.00 0.00 +0.077 C BRANCH 72 73 ATOM 73 NZ LYS A 7 8.589 -5.379 -3.296 0.00 0.00 -0.330 NA ATOM 74 HZ1 LYS A 7 9.478 -5.346 -2.799 0.00 0.00 +0.118 HD ATOM 75 HZ2 LYS A 7 8.640 -6.178 -3.928 0.00 0.00 +0.118 HD ENDBRANCH 72 73 ENDBRANCH 71 72 ENDBRANCH 70 71 ENDBRANCH 69 70 ENDBRANCH 45 69 ENDBRANCH 42 45 ENDBRANCH 1 41 BRANCH 1 76 ATOM 76 CB GLN A 6 2.319 -0.957 -2.676 0.00 0.00 +0.041 C BRANCH 76 77 ATOM 77 CG GLN A 6 0.994 -0.940 -3.440 0.00 0.00 +0.098 C BRANCH 77 78 ATOM 78 CD GLN A 6 0.530 -2.349 -3.725 0.00 0.00 +0.211 C ATOM 79 OE1 GLN A 6 1.222 -3.187 -4.295 0.00 0.00 -0.276 OA ATOM 80 NE2 GLN A 6 -0.728 -2.645 -3.284 0.00 0.00 -0.329 N ATOM 81 HE21 GLN A 6 -0.961 -3.627 -3.334 0.00 0.00 +0.145 HD ATOM 82 HE22 GLN A 6 -1.040 -2.184 -2.426 0.00 0.00 +0.145 HD ENDBRANCH 77 78 ENDBRANCH 76 77 ENDBRANCH 1 76 TORSDOF 35