REMARK Name = BDB064799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LEU A 9 -3.576 2.293 0.836 0.00 0.00 +0.159 C ATOM 2 C LEU A 9 -3.179 2.550 2.314 0.00 0.00 +0.234 C ATOM 3 O LEU A 9 -3.993 2.434 3.234 0.00 0.00 -0.274 OA ATOM 4 N LEU A 1 -1.920 2.955 2.633 0.00 0.00 -0.302 N ATOM 5 H LEU A 1 -1.771 2.909 3.639 0.00 0.00 +0.150 HD ATOM 6 CA LEU A 1 -0.716 3.009 1.803 0.00 0.00 +0.159 C ATOM 7 C LEU A 1 -0.023 1.627 1.783 0.00 0.00 +0.234 C ATOM 8 O LEU A 1 -0.311 0.730 2.577 0.00 0.00 -0.274 OA ATOM 9 N ASP A 2 0.988 1.407 0.880 0.00 0.00 -0.302 N ATOM 10 H ASP A 2 1.394 0.492 1.089 0.00 0.00 +0.150 HD ATOM 11 CA ASP A 2 0.864 1.709 -0.557 0.00 0.00 +0.169 C ATOM 12 C ASP A 2 1.472 0.521 -1.348 0.00 0.00 +0.234 C ATOM 13 O ASP A 2 0.705 -0.351 -1.785 0.00 0.00 -0.274 OA ATOM 14 N GLU A 3 2.794 0.238 -1.451 0.00 0.00 -0.302 N ATOM 15 H GLU A 3 2.907 -0.638 -1.968 0.00 0.00 +0.150 HD ATOM 16 CA GLU A 3 4.074 0.924 -1.208 0.00 0.00 +0.159 C ATOM 17 C GLU A 3 4.247 1.306 0.277 0.00 0.00 +0.234 C ATOM 18 O GLU A 3 4.009 2.446 0.684 0.00 0.00 -0.274 OA ATOM 19 N GLU A 4 4.665 0.363 1.171 0.00 0.00 -0.302 N ATOM 20 H GLU A 4 4.565 0.676 2.135 0.00 0.00 +0.150 HD ATOM 21 CA GLU A 4 4.793 -1.089 0.994 0.00 0.00 +0.159 C ATOM 22 C GLU A 4 3.590 -1.774 1.671 0.00 0.00 +0.234 C ATOM 23 O GLU A 4 2.919 -1.185 2.523 0.00 0.00 -0.274 OA ATOM 24 N THR A 5 3.288 -3.067 1.345 0.00 0.00 -0.300 N ATOM 25 H THR A 5 2.462 -3.413 1.840 0.00 0.00 +0.150 HD ATOM 26 CA THR A 5 3.588 -3.727 0.064 0.00 0.00 +0.187 C ATOM 27 C THR A 5 2.693 -3.054 -0.993 0.00 0.00 +0.236 C ATOM 28 O THR A 5 3.226 -2.423 -1.921 0.00 0.00 -0.274 OA ATOM 29 N GLY A 6 1.339 -2.988 -0.891 0.00 0.00 -0.305 N ATOM 30 H GLY A 6 0.957 -2.332 -1.577 0.00 0.00 +0.149 HD ATOM 31 CA GLY A 6 0.390 -4.002 -0.453 0.00 0.00 +0.200 C ATOM 32 C GLY A 6 0.075 -4.035 1.048 0.00 0.00 +0.231 C ATOM 33 O GLY A 6 0.964 -4.248 1.875 0.00 0.00 -0.274 OA ATOM 34 N GLU A 7 -1.196 -3.848 1.492 0.00 0.00 -0.303 N ATOM 35 H GLU A 7 -1.289 -3.885 2.507 0.00 0.00 +0.149 HD ATOM 36 CA GLU A 7 -2.389 -3.397 0.774 0.00 0.00 +0.159 C ATOM 37 C GLU A 7 -3.405 -2.887 1.816 0.00 0.00 +0.234 C ATOM 38 O GLU A 7 -3.444 -3.374 2.949 0.00 0.00 -0.274 OA ATOM 39 N PHE A 8 -4.353 -1.976 1.455 0.00 0.00 -0.302 N ATOM 40 H PHE A 8 -5.005 -1.792 2.220 0.00 0.00 +0.150 HD ATOM 41 CA PHE A 8 -4.167 -0.802 0.584 0.00 0.00 +0.163 C ATOM 42 C PHE A 8 -5.105 0.301 1.129 0.00 0.00 +0.234 C ATOM 43 O PHE A 8 -6.109 0.008 1.786 0.00 0.00 -0.274 OA ATOM 44 N LEU A 9 -4.883 1.621 0.854 0.00 0.00 -0.302 N ATOM 45 H LEU A 9 -5.584 2.151 1.370 0.00 0.00 +0.150 HD ENDROOT BRANCH 26 46 ATOM 46 CB THR A 5 3.513 -5.261 0.133 0.00 0.00 +0.141 C ATOM 47 CG2 THR A 5 3.709 -5.915 -1.232 0.00 0.00 +0.040 C BRANCH 46 48 ATOM 48 OG1 THR A 5 4.582 -5.724 0.975 0.00 0.00 -0.390 OA ATOM 49 HG1 THR A 5 4.331 -6.605 1.308 0.00 0.00 +0.210 HD ENDBRANCH 46 48 ENDBRANCH 26 46 BRANCH 36 50 ATOM 50 CB GLU A 7 -3.027 -4.522 -0.062 0.00 0.00 +0.043 C BRANCH 50 51 ATOM 51 CG GLU A 7 -3.501 -5.730 0.754 0.00 0.00 +0.123 C BRANCH 51 52 ATOM 52 CD GLU A 7 -3.981 -6.839 -0.143 0.00 0.00 +0.305 C ATOM 53 OE1 GLU A 7 -3.705 -6.998 -1.319 0.00 0.00 -0.251 OA BRANCH 52 54 ATOM 54 OE2 GLU A 7 -4.767 -7.716 0.510 0.00 0.00 -0.481 OA ATOM 55 HE2 GLU A 7 -5.020 -8.378 -0.171 0.00 0.00 +0.295 HD ENDBRANCH 52 54 ENDBRANCH 51 52 ENDBRANCH 50 51 ENDBRANCH 36 50 BRANCH 41 56 ATOM 56 CB PHE A 8 -4.441 -1.067 -0.912 0.00 0.00 +0.067 C BRANCH 56 57 ATOM 57 CG PHE A 8 -5.870 -1.396 -1.308 0.00 0.00 -0.045 A ATOM 58 CD2 PHE A 8 -6.553 -0.581 -2.226 0.00 0.00 +0.004 A ATOM 59 CE2 PHE A 8 -7.872 -0.857 -2.594 0.00 0.00 +0.000 A ATOM 60 CZ PHE A 8 -8.527 -1.965 -2.062 0.00 0.00 +0.000 A ATOM 61 CE1 PHE A 8 -7.857 -2.796 -1.169 0.00 0.00 +0.000 A ATOM 62 CD1 PHE A 8 -6.538 -2.518 -0.798 0.00 0.00 +0.004 A ENDBRANCH 56 57 ENDBRANCH 41 56 BRANCH 21 63 ATOM 63 CB GLU A 4 6.096 -1.596 1.626 0.00 0.00 +0.043 C BRANCH 63 64 ATOM 64 CG GLU A 4 7.329 -1.071 0.889 0.00 0.00 +0.123 C BRANCH 64 65 ATOM 65 CD GLU A 4 8.604 -1.606 1.486 0.00 0.00 +0.305 C ATOM 66 OE1 GLU A 4 8.725 -2.292 2.485 0.00 0.00 -0.251 OA BRANCH 65 67 ATOM 67 OE2 GLU A 4 9.687 -1.229 0.775 0.00 0.00 -0.481 OA ATOM 68 HE2 GLU A 4 10.440 -1.633 1.258 0.00 0.00 +0.295 HD ENDBRANCH 65 67 ENDBRANCH 64 65 ENDBRANCH 63 64 ENDBRANCH 21 63 BRANCH 16 69 ATOM 69 CB GLU A 3 4.310 2.075 -2.182 0.00 0.00 +0.043 C BRANCH 69 70 ATOM 70 CG GLU A 3 5.734 2.639 -2.149 0.00 0.00 +0.123 C BRANCH 70 71 ATOM 71 CD GLU A 3 5.725 4.100 -2.545 0.00 0.00 +0.305 C ATOM 72 OE1 GLU A 3 4.750 4.840 -2.584 0.00 0.00 -0.251 OA BRANCH 71 73 ATOM 73 OE2 GLU A 3 6.962 4.549 -2.830 0.00 0.00 -0.481 OA ATOM 74 HE2 GLU A 3 6.852 5.498 -3.053 0.00 0.00 +0.295 HD ENDBRANCH 71 73 ENDBRANCH 70 71 ENDBRANCH 69 70 ENDBRANCH 16 69 BRANCH 11 75 ATOM 75 CB ASP A 2 1.264 3.123 -0.963 0.00 0.00 +0.152 C BRANCH 75 76 ATOM 76 CG ASP A 2 1.012 3.358 -2.430 0.00 0.00 +0.307 C ATOM 77 OD1 ASP A 2 0.112 2.810 -3.047 0.00 0.00 -0.251 OA BRANCH 76 78 ATOM 78 OD2 ASP A 2 1.816 4.278 -3.001 0.00 0.00 -0.481 OA ATOM 79 HD2 ASP A 2 2.546 4.649 -2.454 0.00 0.00 +0.295 HD ENDBRANCH 76 78 ENDBRANCH 75 76 ENDBRANCH 11 75 BRANCH 6 80 ATOM 80 CB LEU A 1 0.271 4.037 2.398 0.00 0.00 +0.034 C BRANCH 80 81 ATOM 81 CG LEU A 1 -0.237 5.497 2.418 0.00 0.00 -0.015 C ATOM 82 CD2 LEU A 1 0.657 6.345 3.328 0.00 0.00 +0.007 C ATOM 83 CD1 LEU A 1 -0.266 6.114 1.021 0.00 0.00 +0.007 C ENDBRANCH 80 81 ENDBRANCH 6 80 BRANCH 1 84 ATOM 84 CB LEU A 9 -3.676 3.640 0.084 0.00 0.00 +0.034 C BRANCH 84 86 ATOM 85 CD1 LEU A 9 -3.134 4.885 -2.043 0.00 0.00 +0.007 C ATOM 86 CG LEU A 9 -3.469 3.519 -1.441 0.00 0.00 -0.015 C ATOM 87 CD2 LEU A 9 -4.703 2.962 -2.143 0.00 0.00 +0.007 C ENDBRANCH 84 86 ENDBRANCH 1 84 TORSDOF 23