REMARK Name = BDB050980 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LEU A 11 4.546 -2.874 -1.723 0.00 0.00 +0.159 C ATOM 2 C LEU A 11 3.426 -3.532 -2.579 0.00 0.00 +0.234 C ATOM 3 O LEU A 11 3.672 -4.008 -3.693 0.00 0.00 -0.274 OA ATOM 4 N GLY A 1 2.114 -3.478 -2.233 0.00 0.00 -0.305 N ATOM 5 H GLY A 1 1.535 -4.003 -2.877 0.00 0.00 +0.149 HD ATOM 6 CA GLY A 1 1.455 -2.904 -1.071 0.00 0.00 +0.200 C ATOM 7 C GLY A 1 1.451 -3.864 0.126 0.00 0.00 +0.231 C ATOM 8 O GLY A 1 2.292 -4.758 0.252 0.00 0.00 -0.274 OA ATOM 9 N GLN A 2 0.556 -3.655 1.138 0.00 0.00 -0.303 N ATOM 10 H GLN A 2 0.751 -4.319 1.879 0.00 0.00 +0.149 HD ATOM 11 CA GLN A 2 -0.868 -3.309 0.963 0.00 0.00 +0.159 C ATOM 12 C GLN A 2 -1.087 -1.862 0.460 0.00 0.00 +0.234 C ATOM 13 O GLN A 2 -0.295 -0.952 0.731 0.00 0.00 -0.274 OA ATOM 14 N LEU A 3 -2.177 -1.552 -0.294 0.00 0.00 -0.302 N ATOM 15 H LEU A 3 -2.275 -0.545 -0.435 0.00 0.00 +0.150 HD ATOM 16 CA LEU A 3 -3.144 -2.354 -1.056 0.00 0.00 +0.159 C ATOM 17 C LEU A 3 -4.125 -3.076 -0.116 0.00 0.00 +0.234 C ATOM 18 O LEU A 3 -3.892 -4.212 0.304 0.00 0.00 -0.274 OA ATOM 19 N ASP A 4 -5.256 -2.445 0.307 0.00 0.00 -0.302 N ATOM 20 H ASP A 4 -5.717 -2.948 1.066 0.00 0.00 +0.150 HD ATOM 21 CA ASP A 4 -5.663 -1.037 0.175 0.00 0.00 +0.170 C ATOM 22 C ASP A 4 -5.145 -0.201 1.376 0.00 0.00 +0.237 C ATOM 23 O ASP A 4 -4.437 -0.663 2.276 0.00 0.00 -0.274 OA ATOM 24 N PRO A 5 -5.602 1.135 1.380 0.00 0.00 -0.288 N ATOM 25 CA PRO A 5 -4.627 2.178 1.007 0.00 0.00 +0.162 C ATOM 26 CB PRO A 5 -3.844 2.426 2.294 0.00 0.00 +0.033 C ATOM 27 CG PRO A 5 -4.916 2.292 3.375 0.00 0.00 +0.021 C ATOM 28 C PRO A 5 -3.723 1.947 -0.220 0.00 0.00 +0.234 C ATOM 29 O PRO A 5 -3.357 0.824 -0.580 0.00 0.00 -0.274 OA ATOM 30 N GLU A 6 -3.196 2.985 -0.922 0.00 0.00 -0.302 N ATOM 31 H GLU A 6 -2.609 2.648 -1.684 0.00 0.00 +0.150 HD ATOM 32 CA GLU A 6 -3.630 4.379 -1.043 0.00 0.00 +0.159 C ATOM 33 C GLU A 6 -3.406 5.190 0.253 0.00 0.00 +0.234 C ATOM 34 O GLU A 6 -4.342 5.696 0.869 0.00 0.00 -0.274 OA ATOM 35 N THR A 7 -2.137 5.385 0.725 0.00 0.00 -0.300 N ATOM 36 H THR A 7 -2.117 5.827 1.643 0.00 0.00 +0.150 HD ATOM 37 CA THR A 7 -0.879 4.718 0.339 0.00 0.00 +0.187 C ATOM 38 C THR A 7 -0.157 4.315 1.641 0.00 0.00 +0.236 C ATOM 39 O THR A 7 -0.344 4.941 2.689 0.00 0.00 -0.274 OA ATOM 40 N GLY A 8 0.757 3.296 1.623 0.00 0.00 -0.305 N ATOM 41 H GLY A 8 1.196 3.159 2.531 0.00 0.00 +0.149 HD ATOM 42 CA GLY A 8 0.648 2.083 0.829 0.00 0.00 +0.200 C ATOM 43 C GLY A 8 1.216 2.212 -0.581 0.00 0.00 +0.231 C ATOM 44 O GLY A 8 0.477 2.454 -1.543 0.00 0.00 -0.274 OA ATOM 45 N GLU A 9 2.553 2.068 -0.823 0.00 0.00 -0.303 N ATOM 46 H GLU A 9 2.734 2.202 -1.813 0.00 0.00 +0.149 HD ATOM 47 CA GLU A 9 3.685 2.462 0.035 0.00 0.00 +0.159 C ATOM 48 C GLU A 9 3.759 1.690 1.372 0.00 0.00 +0.234 C ATOM 49 O GLU A 9 3.462 2.221 2.444 0.00 0.00 -0.274 OA ATOM 50 N PHE A 10 4.120 0.379 1.361 0.00 0.00 -0.302 N ATOM 51 H PHE A 10 4.120 -0.067 2.278 0.00 0.00 +0.150 HD ATOM 52 CA PHE A 10 4.624 -0.467 0.271 0.00 0.00 +0.163 C ATOM 53 C PHE A 10 4.325 -1.932 0.655 0.00 0.00 +0.234 C ATOM 54 O PHE A 10 4.030 -2.240 1.814 0.00 0.00 -0.274 OA ATOM 55 CD PRO A 5 -6.067 1.533 2.708 0.00 0.00 +0.109 C ATOM 56 N LEU A 11 4.359 -2.926 -0.277 0.00 0.00 -0.302 N ATOM 57 H LEU A 11 4.037 -3.818 0.106 0.00 0.00 +0.150 HD ENDROOT BRANCH 37 58 ATOM 58 CB THR A 7 0.053 5.641 -0.484 0.00 0.00 +0.141 C ATOM 59 CG2 THR A 7 -0.434 5.876 -1.909 0.00 0.00 +0.040 C BRANCH 58 60 ATOM 60 OG1 THR A 7 0.193 6.933 0.122 0.00 0.00 -0.390 OA ATOM 61 HG1 THR A 7 -0.655 7.147 0.555 0.00 0.00 +0.210 HD ENDBRANCH 58 60 ENDBRANCH 37 58 BRANCH 47 62 ATOM 62 CB GLU A 9 3.756 3.993 0.224 0.00 0.00 +0.043 C BRANCH 62 63 ATOM 63 CG GLU A 9 5.115 4.493 0.737 0.00 0.00 +0.123 C BRANCH 63 64 ATOM 64 CD GLU A 9 6.205 4.384 -0.300 0.00 0.00 +0.305 C ATOM 65 OE1 GLU A 9 6.147 3.803 -1.370 0.00 0.00 -0.251 OA BRANCH 64 66 ATOM 66 OE2 GLU A 9 7.335 5.008 0.086 0.00 0.00 -0.481 OA ATOM 67 HE2 GLU A 9 7.956 4.894 -0.663 0.00 0.00 +0.295 HD ENDBRANCH 64 66 ENDBRANCH 63 64 ENDBRANCH 62 63 ENDBRANCH 47 62 BRANCH 52 68 ATOM 68 CB PHE A 10 6.112 -0.216 -0.032 0.00 0.00 +0.067 C BRANCH 68 69 ATOM 69 CG PHE A 10 7.051 -0.359 1.141 0.00 0.00 -0.045 A ATOM 70 CD2 PHE A 10 7.442 0.770 1.879 0.00 0.00 +0.004 A ATOM 71 CE2 PHE A 10 8.322 0.645 2.956 0.00 0.00 +0.000 A ATOM 72 CZ PHE A 10 8.819 -0.608 3.310 0.00 0.00 +0.000 A ATOM 73 CE1 PHE A 10 8.431 -1.736 2.594 0.00 0.00 +0.000 A ATOM 74 CD1 PHE A 10 7.552 -1.613 1.514 0.00 0.00 +0.004 A ENDBRANCH 68 69 ENDBRANCH 52 68 BRANCH 32 75 ATOM 75 CB GLU A 6 -5.048 4.488 -1.621 0.00 0.00 +0.043 C BRANCH 75 76 ATOM 76 CG GLU A 6 -5.328 5.880 -2.193 0.00 0.00 +0.123 C BRANCH 76 77 ATOM 77 CD GLU A 6 -6.663 5.925 -2.887 0.00 0.00 +0.305 C ATOM 78 OE1 GLU A 6 -7.501 5.041 -2.938 0.00 0.00 -0.251 OA BRANCH 77 79 ATOM 79 OE2 GLU A 6 -6.876 7.108 -3.491 0.00 0.00 -0.481 OA ATOM 80 HE2 GLU A 6 -7.773 7.020 -3.873 0.00 0.00 +0.295 HD ENDBRANCH 77 79 ENDBRANCH 76 77 ENDBRANCH 75 76 ENDBRANCH 32 75 BRANCH 21 81 ATOM 81 CB ASP A 4 -7.181 -0.922 0.010 0.00 0.00 +0.152 C BRANCH 81 82 ATOM 82 CG ASP A 4 -7.967 -1.202 1.261 0.00 0.00 +0.307 C ATOM 83 OD1 ASP A 4 -8.983 -0.618 1.601 0.00 0.00 -0.251 OA BRANCH 82 84 ATOM 84 OD2 ASP A 4 -7.522 -2.263 1.954 0.00 0.00 -0.481 OA ATOM 85 HD2 ASP A 4 -8.165 -2.353 2.696 0.00 0.00 +0.295 HD ENDBRANCH 82 84 ENDBRANCH 81 82 ENDBRANCH 21 81 BRANCH 16 86 ATOM 86 CB LEU A 3 -2.478 -3.299 -2.075 0.00 0.00 +0.034 C BRANCH 86 87 ATOM 87 CG LEU A 3 -3.253 -3.509 -3.396 0.00 0.00 -0.015 C ATOM 88 CD2 LEU A 3 -4.681 -4.012 -3.188 0.00 0.00 +0.007 C ATOM 89 CD1 LEU A 3 -3.249 -2.254 -4.271 0.00 0.00 +0.007 C ENDBRANCH 86 87 ENDBRANCH 16 86 BRANCH 11 90 ATOM 90 CB GLN A 2 -1.604 -3.450 2.308 0.00 0.00 +0.041 C BRANCH 90 91 ATOM 91 CG GLN A 2 -1.825 -4.914 2.701 0.00 0.00 +0.098 C BRANCH 91 92 ATOM 92 CD GLN A 2 -2.696 -5.046 3.929 0.00 0.00 +0.211 C ATOM 93 OE1 GLN A 2 -2.956 -4.139 4.712 0.00 0.00 -0.276 OA ATOM 94 NE2 GLN A 2 -3.161 -6.312 4.153 0.00 0.00 -0.329 N ATOM 95 HE21 GLN A 2 -3.260 -6.963 3.388 0.00 0.00 +0.145 HD ATOM 96 HE22 GLN A 2 -3.836 -6.388 4.902 0.00 0.00 +0.145 HD ENDBRANCH 91 92 ENDBRANCH 90 91 ENDBRANCH 11 90 BRANCH 1 97 ATOM 97 CB LEU A 11 5.929 -3.445 -2.125 0.00 0.00 +0.034 C BRANCH 97 99 ATOM 98 CD1 LEU A 11 6.444 -5.343 -0.469 0.00 0.00 +0.007 C ATOM 99 CG LEU A 11 6.140 -4.965 -1.919 0.00 0.00 -0.015 C ATOM 100 CD2 LEU A 11 7.299 -5.441 -2.805 0.00 0.00 +0.007 C ENDBRANCH 97 99 ENDBRANCH 1 97 TORSDOF 22