REMARK Name = BDB065173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 10 -3.580 0.499 -1.984 0.00 0.00 +0.159 C ATOM 2 C UNK A 10 -2.903 -0.637 -2.799 0.00 0.00 +0.236 C ATOM 3 O UNK A 10 -2.873 -0.522 -4.030 0.00 0.00 -0.274 OA ATOM 4 N UNK A 1 -2.286 -1.714 -2.147 0.00 0.00 -0.291 N ATOM 5 C UNK A 1 -1.337 -2.429 -2.992 0.00 0.00 +0.133 C ATOM 6 C UNK A 1 -2.168 -1.842 -0.673 0.00 0.00 +0.162 C ATOM 7 C UNK A 1 -0.910 -2.531 -0.027 0.00 0.00 +0.237 C ATOM 8 O UNK A 1 0.037 -1.791 0.296 0.00 0.00 -0.274 OA ATOM 9 N PRO A 2 -0.796 -3.890 0.206 0.00 0.00 -0.288 N ATOM 10 CA PRO A 2 -1.665 -5.004 -0.171 0.00 0.00 +0.162 C ATOM 11 CB PRO A 2 -1.395 -6.091 0.874 0.00 0.00 +0.033 C ATOM 12 CG PRO A 2 0.026 -5.823 1.341 0.00 0.00 +0.021 C ATOM 13 C PRO A 2 -1.550 -5.607 -1.588 0.00 0.00 +0.234 C ATOM 14 O PRO A 2 -2.581 -5.989 -2.159 0.00 0.00 -0.274 OA ATOM 15 N GLY A 3 -0.372 -5.862 -2.209 0.00 0.00 -0.305 N ATOM 16 H GLY A 3 -0.494 -6.322 -3.111 0.00 0.00 +0.149 HD ATOM 17 CA GLY A 3 1.012 -5.451 -1.947 0.00 0.00 +0.200 C ATOM 18 C GLY A 3 1.720 -5.266 -3.303 0.00 0.00 +0.233 C ATOM 19 O GLY A 3 1.248 -5.839 -4.293 0.00 0.00 -0.274 OA ATOM 20 N ALA A 4 2.885 -4.508 -3.389 0.00 0.00 -0.292 N ATOM 21 C ACE A 0 3.591 -4.529 -4.659 0.00 0.00 +0.133 C ATOM 22 CA ALA A 4 3.387 -3.518 -2.394 0.00 0.00 +0.158 C ATOM 23 CB ALA A 4 2.362 -2.430 -2.118 0.00 0.00 +0.038 C ATOM 24 C ALA A 4 3.987 -4.231 -1.161 0.00 0.00 +0.234 C ATOM 25 O ALA A 4 3.870 -5.447 -1.001 0.00 0.00 -0.274 OA ATOM 26 N UNK A 5 4.749 -3.543 -0.264 0.00 0.00 -0.302 N ATOM 27 H UNK A 5 5.140 -4.173 0.435 0.00 0.00 +0.150 HD ATOM 28 C UNK A 5 4.622 -2.155 0.223 0.00 0.00 +0.165 C ATOM 29 C UNK A 5 6.007 -1.648 0.711 0.00 0.00 +0.237 C ATOM 30 O UNK A 5 6.914 -2.474 0.886 0.00 0.00 -0.274 OA ATOM 31 N ALA A 6 6.217 -0.287 0.941 0.00 0.00 -0.292 N ATOM 32 C ACE A 0 7.527 0.081 1.498 0.00 0.00 +0.133 C ATOM 33 CA ALA A 6 5.223 0.823 0.719 0.00 0.00 +0.159 C ATOM 34 CB ALA A 6 5.891 2.068 0.136 0.00 0.00 +0.038 C ATOM 35 C ALA A 6 4.496 1.128 2.061 0.00 0.00 +0.236 C ATOM 36 O ALA A 6 5.081 0.963 3.136 0.00 0.00 -0.274 OA ATOM 37 N ALA A 7 3.148 1.483 2.051 0.00 0.00 -0.292 N ATOM 38 C ACE A 0 2.417 1.188 3.277 0.00 0.00 +0.133 C ATOM 39 CA ALA A 7 2.439 2.249 0.982 0.00 0.00 +0.158 C ATOM 40 CB ALA A 7 1.665 1.301 0.072 0.00 0.00 +0.038 C ATOM 41 C ALA A 7 1.487 3.385 1.488 0.00 0.00 +0.234 C ATOM 42 O ALA A 7 1.066 3.431 2.654 0.00 0.00 -0.274 OA ATOM 43 N UNK A 8 1.003 4.378 0.701 0.00 0.00 -0.302 N ATOM 44 H UNK A 8 0.412 4.984 1.263 0.00 0.00 +0.150 HD ATOM 45 C UNK A 8 1.285 4.894 -0.640 0.00 0.00 +0.163 C ATOM 46 C UNK A 8 0.503 4.303 -1.849 0.00 0.00 +0.237 C ATOM 47 O UNK A 8 1.055 4.136 -2.937 0.00 0.00 -0.274 OA ATOM 48 N LEU A 9 -0.903 4.318 -1.732 0.00 0.00 -0.291 N ATOM 49 C ACE A 0 -1.584 4.677 -2.974 0.00 0.00 +0.133 C ATOM 50 CA LEU A 9 -1.542 3.261 -0.920 0.00 0.00 +0.162 C ATOM 51 C LEU A 9 -1.692 1.974 -1.770 0.00 0.00 +0.234 C ATOM 52 O LEU A 9 -0.732 1.260 -2.050 0.00 0.00 -0.274 OA ATOM 53 CD PRO A 2 0.156 -4.319 1.234 0.00 0.00 +0.109 C ATOM 54 N UNK A 10 -2.925 1.764 -2.362 0.00 0.00 -0.302 N ATOM 55 H UNK A 10 -2.762 1.668 -3.365 0.00 0.00 +0.150 HD ENDROOT BRANCH 1 56 ATOM 56 C UNK A 10 -5.075 0.530 -2.337 0.00 0.00 +0.032 C BRANCH 56 57 ATOM 57 C UNK A 10 -5.870 1.472 -1.425 0.00 0.00 +0.002 C BRANCH 57 58 ATOM 58 C UNK A 10 -7.368 1.506 -1.749 0.00 0.00 -0.000 C BRANCH 58 60 ATOM 59 C UNK A 10 -8.078 -0.318 -0.118 0.00 0.00 +0.004 C ATOM 60 C UNK A 10 -8.123 0.190 -1.549 0.00 0.00 -0.003 C ENDBRANCH 58 60 ENDBRANCH 57 58 ENDBRANCH 56 57 ENDBRANCH 1 56 BRANCH 6 61 ATOM 61 C UNK A 1 -3.524 -2.226 -0.036 0.00 0.00 +0.035 C BRANCH 61 62 ATOM 62 C UNK A 1 -3.567 -2.202 1.515 0.00 0.00 -0.009 C BRANCH 62 63 ATOM 63 C UNK A 1 -3.351 -0.756 2.036 0.00 0.00 +0.000 C ATOM 64 C UNK A 1 -3.385 -0.618 3.547 0.00 0.00 +0.004 C ENDBRANCH 62 63 BRANCH 62 65 ATOM 65 C UNK A 1 -4.908 -2.817 1.981 0.00 0.00 +0.000 C ATOM 66 C UNK A 1 -4.777 -3.658 3.245 0.00 0.00 +0.004 C ENDBRANCH 62 65 ENDBRANCH 61 62 ENDBRANCH 6 61 BRANCH 28 67 ATOM 67 C UNK A 5 3.566 -2.105 1.340 0.00 0.00 +0.087 C BRANCH 67 68 ATOM 68 C UNK A 5 3.894 -2.958 2.530 0.00 0.00 +0.051 A ATOM 69 N UNK A 5 3.438 -4.269 2.541 0.00 0.00 -0.252 NA ATOM 70 C UNK A 5 3.836 -4.862 3.644 0.00 0.00 +0.156 A ATOM 71 S UNK A 5 4.738 -3.900 4.738 0.00 0.00 -0.084 S ATOM 72 C UNK A 5 4.606 -2.582 3.654 0.00 0.00 +0.070 A ENDBRANCH 67 68 ENDBRANCH 28 67 BRANCH 45 73 ATOM 73 C UNK A 8 2.775 5.136 -0.967 0.00 0.00 +0.067 C BRANCH 73 74 ATOM 74 C UNK A 8 3.445 6.126 -0.030 0.00 0.00 -0.045 A ATOM 75 C UNK A 8 3.135 7.494 -0.126 0.00 0.00 +0.006 A ATOM 76 C UNK A 8 3.748 8.422 0.720 0.00 0.00 +0.038 A ATOM 77 C UNK A 8 4.670 7.982 1.664 0.00 0.00 +0.123 A ATOM 78 F UNK A 8 5.255 8.870 2.485 0.00 0.00 -0.205 F ATOM 79 C UNK A 8 4.988 6.633 1.779 0.00 0.00 +0.038 A ATOM 80 C UNK A 8 4.376 5.702 0.931 0.00 0.00 +0.006 A ENDBRANCH 73 74 ENDBRANCH 45 73 BRANCH 50 81 ATOM 81 CB LEU A 9 -2.872 3.662 -0.243 0.00 0.00 +0.035 C BRANCH 81 82 ATOM 82 CG LEU A 9 -2.734 4.650 0.929 0.00 0.00 -0.015 C ATOM 83 CD2 LEU A 9 -2.471 6.080 0.462 0.00 0.00 +0.007 C ATOM 84 CD1 LEU A 9 -4.012 4.624 1.770 0.00 0.00 +0.007 C ENDBRANCH 81 82 ENDBRANCH 50 81 TORSDOF 14