REMARK Name = BDB048396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA THR A 4 2.580 -3.207 1.606 0.00 0.00 +0.187 C ENDROOT BRANCH 1 3 ATOM 2 C GLU A 3 4.690 -3.443 0.390 0.00 0.00 +0.234 C ATOM 3 N THR A 4 3.982 -2.841 1.419 0.00 0.00 -0.300 N ATOM 4 H THR A 4 4.196 -1.858 1.556 0.00 0.00 +0.150 HD ATOM 5 O GLU A 3 4.459 -4.578 -0.012 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA GLU A 3 5.868 -2.602 -0.126 0.00 0.00 +0.159 C BRANCH 6 8 ATOM 7 C GLU A 2 6.184 -0.312 -0.953 0.00 0.00 +0.234 C ATOM 8 N GLU A 3 5.406 -1.210 -0.253 0.00 0.00 -0.302 N ATOM 9 H GLU A 3 4.397 -1.067 -0.349 0.00 0.00 +0.150 HD ATOM 10 O GLU A 2 7.256 -0.622 -1.471 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 CA GLU A 2 5.630 1.122 -1.038 0.00 0.00 +0.159 C BRANCH 11 13 ATOM 12 C ASP A 1 7.624 2.316 -0.264 0.00 0.00 +0.234 C ATOM 13 N GLU A 2 6.769 2.006 -1.312 0.00 0.00 -0.302 N ATOM 14 H GLU A 2 7.205 1.889 -2.217 0.00 0.00 +0.150 HD ATOM 15 O ASP A 1 7.329 2.089 0.910 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 CA ASP A 1 8.971 2.967 -0.671 0.00 0.00 +0.169 C BRANCH 16 19 ATOM 17 C UNK A 0 10.183 4.671 2.488 0.00 0.00 +0.109 C ATOM 18 C UNK A 0 9.639 4.566 1.089 0.00 0.00 +0.211 C ATOM 19 N ASP A 1 9.702 3.302 0.552 0.00 0.00 -0.304 N ATOM 20 H ASP A 1 9.769 2.531 1.212 0.00 0.00 +0.149 HD ATOM 21 O UNK A 0 9.198 5.538 0.486 0.00 0.00 -0.276 OA ENDBRANCH 16 19 BRANCH 16 22 ATOM 22 CB ASP A 1 9.828 2.109 -1.602 0.00 0.00 +0.152 C BRANCH 22 23 ATOM 23 CG ASP A 1 10.013 0.671 -1.203 0.00 0.00 +0.307 C ATOM 24 OD1 ASP A 1 10.323 -0.227 -1.977 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 OD2 ASP A 1 9.859 0.417 0.107 0.00 0.00 -0.481 OA ATOM 26 HD2 ASP A 1 9.873 -0.571 0.171 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 12 16 ENDBRANCH 11 13 BRANCH 11 27 ATOM 27 CB GLU A 2 4.491 1.295 -2.051 0.00 0.00 +0.043 C BRANCH 27 28 ATOM 28 CG GLU A 2 4.835 1.006 -3.517 0.00 0.00 +0.123 C BRANCH 28 29 ATOM 29 CD GLU A 2 4.892 -0.443 -3.924 0.00 0.00 +0.305 C ATOM 30 OE1 GLU A 2 5.387 -0.857 -4.959 0.00 0.00 -0.251 OA BRANCH 29 31 ATOM 31 OE2 GLU A 2 4.275 -1.287 -3.082 0.00 0.00 -0.481 OA ATOM 32 HE2 GLU A 2 4.386 -2.165 -3.510 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 11 27 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 33 ATOM 33 CB GLU A 3 7.056 -2.710 0.853 0.00 0.00 +0.043 C BRANCH 33 34 ATOM 34 CG GLU A 3 8.068 -3.771 0.422 0.00 0.00 +0.123 C BRANCH 34 35 ATOM 35 CD GLU A 3 8.831 -3.338 -0.800 0.00 0.00 +0.305 C ATOM 36 OE1 GLU A 3 8.725 -3.820 -1.913 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 OE2 GLU A 3 9.663 -2.305 -0.549 0.00 0.00 -0.481 OA ATOM 38 HE2 GLU A 3 9.959 -2.025 -1.458 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 6 33 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 39 ATOM 39 C THR A 4 1.752 -2.310 0.653 0.00 0.00 +0.236 C ATOM 40 N GLY A 5 0.434 -2.694 0.535 0.00 0.00 -0.305 N ATOM 41 H GLY A 5 0.083 -3.263 1.307 0.00 0.00 +0.149 HD ATOM 42 O THR A 4 2.248 -1.349 0.060 0.00 0.00 -0.274 OA BRANCH 40 43 ATOM 43 CA GLY A 5 -0.543 -1.896 -0.176 0.00 0.00 +0.200 C BRANCH 43 44 ATOM 44 C GLY A 5 -1.431 -1.115 0.798 0.00 0.00 +0.231 C ATOM 45 N GLU A 6 -2.540 -0.552 0.204 0.00 0.00 -0.303 N ATOM 46 H GLU A 6 -2.801 -0.845 -0.735 0.00 0.00 +0.149 HD ATOM 47 O GLY A 5 -1.185 -0.997 1.996 0.00 0.00 -0.274 OA BRANCH 45 48 ATOM 48 CA GLU A 6 -3.603 0.059 0.996 0.00 0.00 +0.159 C BRANCH 48 49 ATOM 49 C GLU A 6 -4.942 -0.274 0.313 0.00 0.00 +0.234 C ATOM 50 N PHE A 7 -6.046 -0.162 1.124 0.00 0.00 -0.302 N ATOM 51 H PHE A 7 -5.955 0.397 1.967 0.00 0.00 +0.150 HD ATOM 52 O GLU A 6 -4.998 -0.589 -0.876 0.00 0.00 -0.274 OA BRANCH 50 53 ATOM 53 CA PHE A 7 -7.402 -0.281 0.587 0.00 0.00 +0.163 C BRANCH 53 54 ATOM 54 C PHE A 7 -7.964 1.145 0.452 0.00 0.00 +0.234 C ATOM 55 N LEU A 8 -9.120 1.250 -0.283 0.00 0.00 -0.301 N ATOM 56 H LEU A 8 -9.558 0.423 -0.685 0.00 0.00 +0.150 HD ATOM 57 O PHE A 7 -7.433 2.119 0.987 0.00 0.00 -0.274 OA BRANCH 55 58 ATOM 58 CA LEU A 8 -9.827 2.512 -0.468 0.00 0.00 +0.182 C BRANCH 58 59 ATOM 59 C LEU A 8 -11.290 2.204 -0.798 0.00 0.00 +0.325 C ATOM 60 O LEU A 8 -11.688 1.085 -1.102 0.00 0.00 -0.249 OA BRANCH 59 61 ATOM 61 OXT LEU A 8 -12.121 3.267 -0.711 0.00 0.00 -0.479 OA ATOM 62 HXT LEU A 8 -11.697 4.098 -0.422 0.00 0.00 +0.295 HD ENDBRANCH 59 61 ENDBRANCH 58 59 BRANCH 58 63 ATOM 63 CB LEU A 8 -9.148 3.462 -1.470 0.00 0.00 +0.036 C BRANCH 63 64 ATOM 64 CG LEU A 8 -8.936 3.024 -2.937 0.00 0.00 -0.015 C ATOM 65 CD2 LEU A 8 -8.037 1.800 -3.099 0.00 0.00 +0.007 C ATOM 66 CD1 LEU A 8 -10.236 2.837 -3.716 0.00 0.00 +0.007 C ENDBRANCH 63 64 ENDBRANCH 58 63 ENDBRANCH 55 58 ENDBRANCH 53 54 BRANCH 53 67 ATOM 67 CB PHE A 7 -8.306 -1.110 1.510 0.00 0.00 +0.067 C BRANCH 67 68 ATOM 68 CG PHE A 7 -7.872 -2.554 1.607 0.00 0.00 -0.045 A ATOM 69 CD2 PHE A 7 -8.168 -3.456 0.575 0.00 0.00 +0.004 A ATOM 70 CE2 PHE A 7 -7.746 -4.785 0.653 0.00 0.00 +0.000 A ATOM 71 CZ PHE A 7 -7.027 -5.225 1.762 0.00 0.00 +0.000 A ATOM 72 CE1 PHE A 7 -6.729 -4.337 2.794 0.00 0.00 +0.000 A ATOM 73 CD1 PHE A 7 -7.149 -3.008 2.718 0.00 0.00 +0.004 A ENDBRANCH 67 68 ENDBRANCH 53 67 ENDBRANCH 50 53 ENDBRANCH 48 49 BRANCH 48 74 ATOM 74 CB GLU A 6 -3.410 1.570 1.161 0.00 0.00 +0.043 C BRANCH 74 75 ATOM 75 CG GLU A 6 -3.430 2.335 -0.168 0.00 0.00 +0.123 C BRANCH 75 76 ATOM 76 CD GLU A 6 -3.238 3.819 0.037 0.00 0.00 +0.305 C ATOM 77 OE1 GLU A 6 -3.125 4.375 1.117 0.00 0.00 -0.251 OA BRANCH 76 78 ATOM 78 OE2 GLU A 6 -3.210 4.497 -1.136 0.00 0.00 -0.481 OA ATOM 79 HE2 GLU A 6 -3.324 3.925 -1.919 0.00 0.00 +0.295 HD ENDBRANCH 76 78 ENDBRANCH 75 76 ENDBRANCH 74 75 ENDBRANCH 48 74 ENDBRANCH 45 48 ENDBRANCH 43 44 ENDBRANCH 40 43 ENDBRANCH 1 39 BRANCH 1 80 ATOM 80 CB THR A 4 2.113 -3.067 3.066 0.00 0.00 +0.141 C ATOM 81 CG2 THR A 4 2.098 -1.631 3.586 0.00 0.00 +0.040 C BRANCH 80 82 ATOM 82 OG1 THR A 4 0.804 -3.642 3.204 0.00 0.00 -0.390 OA ATOM 83 HG1 THR A 4 0.482 -3.427 4.098 0.00 0.00 +0.210 HD ENDBRANCH 80 82 ENDBRANCH 1 80 TORSDOF 38