REMARK Name = BDB048402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA THR A 5 0.052 -1.724 -0.742 0.00 0.00 +0.187 C ENDROOT BRANCH 1 3 ATOM 2 C GLU A 4 1.673 -0.092 0.215 0.00 0.00 +0.234 C ATOM 3 N THR A 5 0.404 -0.402 -0.197 0.00 0.00 -0.300 N ATOM 4 H THR A 5 -0.158 0.357 -0.579 0.00 0.00 +0.150 HD ATOM 5 O GLU A 4 2.545 -0.937 0.414 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA GLU A 4 1.939 1.415 0.422 0.00 0.00 +0.159 C BRANCH 6 8 ATOM 7 C PRO A 3 4.137 2.017 1.591 0.00 0.00 +0.234 C ATOM 8 N GLU A 4 2.860 1.494 1.562 0.00 0.00 -0.302 N ATOM 9 H GLU A 4 2.618 0.863 2.319 0.00 0.00 +0.150 HD ATOM 10 O PRO A 3 4.606 2.759 0.738 0.00 0.00 -0.274 OA BRANCH 7 13 ATOM 11 C ASP A 2 7.334 1.118 2.046 0.00 0.00 +0.237 C ATOM 12 N PRO A 3 6.374 1.790 2.768 0.00 0.00 -0.288 N ATOM 13 CA PRO A 3 4.934 1.545 2.824 0.00 0.00 +0.162 C ATOM 14 CB PRO A 3 4.462 2.276 4.092 0.00 0.00 +0.033 C ATOM 15 CG PRO A 3 5.492 3.386 4.255 0.00 0.00 +0.021 C ATOM 16 CD PRO A 3 6.778 2.711 3.814 0.00 0.00 +0.109 C ATOM 17 O ASP A 2 8.524 1.161 2.389 0.00 0.00 -0.274 OA BRANCH 11 18 ATOM 18 CA ASP A 2 6.942 0.307 0.786 0.00 0.00 +0.170 C BRANCH 18 20 ATOM 19 C LEU A 1 8.329 0.838 -1.220 0.00 0.00 +0.234 C ATOM 20 N ASP A 2 8.181 0.208 -0.006 0.00 0.00 -0.302 N ATOM 21 H ASP A 2 9.018 0.108 0.564 0.00 0.00 +0.150 HD ATOM 22 O LEU A 1 7.380 1.324 -1.842 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 CA LEU A 1 9.771 0.835 -1.788 0.00 0.00 +0.159 C BRANCH 23 26 ATOM 24 C UNK A 0 10.362 2.034 -5.355 0.00 0.00 +0.109 C ATOM 25 C UNK A 0 10.643 1.297 -4.074 0.00 0.00 +0.211 C ATOM 26 N LEU A 1 9.708 1.498 -3.091 0.00 0.00 -0.304 N ATOM 27 H LEU A 1 8.841 1.985 -3.301 0.00 0.00 +0.149 HD ATOM 28 O UNK A 0 11.635 0.591 -3.933 0.00 0.00 -0.276 OA ENDBRANCH 23 26 BRANCH 23 29 ATOM 29 CB LEU A 1 10.779 1.536 -0.855 0.00 0.00 +0.034 C BRANCH 29 30 ATOM 30 CG LEU A 1 12.002 0.663 -0.493 0.00 0.00 -0.015 C ATOM 31 CD2 LEU A 1 13.037 1.510 0.257 0.00 0.00 +0.007 C ATOM 32 CD1 LEU A 1 11.629 -0.556 0.351 0.00 0.00 +0.007 C ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 19 23 ENDBRANCH 18 20 BRANCH 18 33 ATOM 33 CB ASP A 2 6.437 -1.089 1.116 0.00 0.00 +0.152 C BRANCH 33 34 ATOM 34 CG ASP A 2 5.814 -1.732 -0.091 0.00 0.00 +0.307 C ATOM 35 OD1 ASP A 2 5.550 -1.209 -1.161 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 OD2 ASP A 2 5.529 -3.027 0.124 0.00 0.00 -0.481 OA ATOM 37 HD2 ASP A 2 5.111 -3.336 -0.709 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 18 33 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 6 8 BRANCH 6 38 ATOM 38 CB GLU A 4 2.324 2.114 -0.893 0.00 0.00 +0.043 C BRANCH 38 39 ATOM 39 CG GLU A 4 3.438 1.422 -1.694 0.00 0.00 +0.123 C BRANCH 39 40 ATOM 40 CD GLU A 4 2.929 0.323 -2.603 0.00 0.00 +0.305 C ATOM 41 OE1 GLU A 4 1.764 0.169 -2.940 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 OE2 GLU A 4 3.893 -0.518 -3.030 0.00 0.00 -0.481 OA ATOM 43 HE2 GLU A 4 4.740 -0.455 -2.524 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 6 38 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 44 ATOM 44 C THR A 5 -1.194 -1.501 -1.622 0.00 0.00 +0.236 C ATOM 45 N GLY A 6 -1.542 -2.533 -2.462 0.00 0.00 -0.305 N ATOM 46 H GLY A 6 -0.992 -3.382 -2.480 0.00 0.00 +0.149 HD ATOM 47 O THR A 5 -1.883 -0.483 -1.518 0.00 0.00 -0.274 OA BRANCH 45 48 ATOM 48 CA GLY A 6 -2.776 -2.505 -3.241 0.00 0.00 +0.200 C BRANCH 48 49 ATOM 49 C GLY A 6 -3.989 -2.999 -2.439 0.00 0.00 +0.231 C ATOM 50 N GLU A 7 -4.066 -2.498 -1.157 0.00 0.00 -0.303 N ATOM 51 H GLU A 7 -3.608 -1.596 -1.039 0.00 0.00 +0.149 HD ATOM 52 O GLY A 6 -4.853 -3.721 -2.930 0.00 0.00 -0.274 OA BRANCH 50 53 ATOM 53 CA GLU A 7 -5.228 -2.730 -0.312 0.00 0.00 +0.159 C BRANCH 53 54 ATOM 54 C GLU A 7 -6.254 -1.592 -0.506 0.00 0.00 +0.234 C ATOM 55 N PHE A 8 -7.449 -1.792 0.158 0.00 0.00 -0.302 N ATOM 56 H PHE A 8 -7.666 -2.745 0.434 0.00 0.00 +0.150 HD ATOM 57 O GLU A 7 -6.032 -0.582 -1.170 0.00 0.00 -0.274 OA BRANCH 55 58 ATOM 58 CA PHE A 8 -8.550 -0.854 -0.018 0.00 0.00 +0.163 C BRANCH 58 59 ATOM 59 C PHE A 8 -8.236 0.466 0.722 0.00 0.00 +0.234 C ATOM 60 N LEU A 9 -8.919 1.571 0.257 0.00 0.00 -0.301 N ATOM 61 H LEU A 9 -9.668 1.451 -0.419 0.00 0.00 +0.150 HD ATOM 62 O PHE A 8 -7.519 0.547 1.722 0.00 0.00 -0.274 OA BRANCH 60 63 ATOM 63 CA LEU A 9 -8.758 2.883 0.889 0.00 0.00 +0.182 C BRANCH 63 64 ATOM 64 C LEU A 9 -9.572 2.897 2.196 0.00 0.00 +0.325 C ATOM 65 O LEU A 9 -10.637 3.477 2.359 0.00 0.00 -0.249 OA BRANCH 64 66 ATOM 66 OXT LEU A 9 -9.021 2.128 3.172 0.00 0.00 -0.479 OA ATOM 67 HXT LEU A 9 -8.231 1.625 2.852 0.00 0.00 +0.295 HD ENDBRANCH 64 66 ENDBRANCH 63 64 BRANCH 63 68 ATOM 68 CB LEU A 9 -9.186 3.994 -0.082 0.00 0.00 +0.036 C BRANCH 68 69 ATOM 69 CG LEU A 9 -8.894 5.432 0.397 0.00 0.00 -0.015 C ATOM 70 CD2 LEU A 9 -7.405 5.687 0.643 0.00 0.00 +0.007 C ATOM 71 CD1 LEU A 9 -9.424 6.434 -0.636 0.00 0.00 +0.007 C ENDBRANCH 68 69 ENDBRANCH 63 68 ENDBRANCH 60 63 ENDBRANCH 58 59 BRANCH 58 72 ATOM 72 CB PHE A 8 -9.874 -1.398 0.552 0.00 0.00 +0.067 C BRANCH 72 73 ATOM 73 CG PHE A 8 -10.288 -2.745 0.009 0.00 0.00 -0.045 A ATOM 74 CD2 PHE A 8 -10.435 -2.955 -1.370 0.00 0.00 +0.004 A ATOM 75 CE2 PHE A 8 -10.815 -4.203 -1.860 0.00 0.00 +0.000 A ATOM 76 CZ PHE A 8 -11.062 -5.256 -0.979 0.00 0.00 +0.000 A ATOM 77 CE1 PHE A 8 -10.930 -5.061 0.396 0.00 0.00 +0.000 A ATOM 78 CD1 PHE A 8 -10.546 -3.812 0.887 0.00 0.00 +0.004 A ENDBRANCH 72 73 ENDBRANCH 58 72 ENDBRANCH 55 58 ENDBRANCH 53 54 BRANCH 53 79 ATOM 79 CB GLU A 7 -4.802 -2.820 1.161 0.00 0.00 +0.043 C BRANCH 79 80 ATOM 80 CG GLU A 7 -3.984 -4.076 1.466 0.00 0.00 +0.123 C BRANCH 80 81 ATOM 81 CD GLU A 7 -4.728 -5.371 1.279 0.00 0.00 +0.305 C ATOM 82 OE1 GLU A 7 -4.210 -6.463 1.105 0.00 0.00 -0.251 OA BRANCH 81 83 ATOM 83 OE2 GLU A 7 -6.066 -5.265 1.383 0.00 0.00 -0.481 OA ATOM 84 HE2 GLU A 7 -6.379 -6.189 1.262 0.00 0.00 +0.295 HD ENDBRANCH 81 83 ENDBRANCH 80 81 ENDBRANCH 79 80 ENDBRANCH 53 79 ENDBRANCH 50 53 ENDBRANCH 48 49 ENDBRANCH 45 48 ENDBRANCH 1 44 BRANCH 1 85 ATOM 85 CB THR A 5 -0.294 -2.764 0.350 0.00 0.00 +0.141 C ATOM 86 CG2 THR A 5 0.917 -3.359 1.052 0.00 0.00 +0.040 C BRANCH 85 87 ATOM 87 OG1 THR A 5 -1.144 -2.188 1.354 0.00 0.00 -0.390 OA ATOM 88 HG1 THR A 5 -0.783 -1.301 1.541 0.00 0.00 +0.210 HD ENDBRANCH 85 87 ENDBRANCH 1 85 TORSDOF 37