REMARK Name = BDB058981 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 14 -5.001 3.007 -2.105 0.00 0.00 +0.163 C ATOM 2 C UNK A 14 -5.918 1.767 -2.018 0.00 0.00 +0.234 C ATOM 3 O UNK A 14 -6.660 1.376 -2.913 0.00 0.00 -0.274 OA ATOM 4 N SER A 1 -5.747 1.027 -0.862 0.00 0.00 -0.301 N ATOM 5 H SER A 1 -5.483 0.092 -1.183 0.00 0.00 +0.150 HD ATOM 6 CA SER A 1 -6.894 0.910 0.056 0.00 0.00 +0.184 C ATOM 7 C SER A 1 -8.003 -0.026 -0.470 0.00 0.00 +0.236 C ATOM 8 O SER A 1 -9.153 0.366 -0.674 0.00 0.00 -0.274 OA ATOM 9 N GLU A 2 -7.731 -1.350 -0.659 0.00 0.00 -0.302 N ATOM 10 H GLU A 2 -8.501 -1.860 -1.089 0.00 0.00 +0.150 HD ATOM 11 CA GLU A 2 -6.683 -2.184 -0.072 0.00 0.00 +0.160 C ATOM 12 C GLU A 2 -6.411 -3.378 -1.022 0.00 0.00 +0.237 C ATOM 13 O GLU A 2 -7.255 -3.728 -1.852 0.00 0.00 -0.274 OA ATOM 14 N PRO A 3 -5.253 -4.129 -0.749 0.00 0.00 -0.288 N ATOM 15 CA PRO A 3 -3.947 -3.644 -1.255 0.00 0.00 +0.162 C ATOM 16 CB PRO A 3 -3.940 -4.130 -2.702 0.00 0.00 +0.033 C ATOM 17 CG PRO A 3 -4.662 -5.480 -2.626 0.00 0.00 +0.021 C ATOM 18 C PRO A 3 -3.577 -2.154 -1.111 0.00 0.00 +0.237 C ATOM 19 O PRO A 3 -4.268 -1.291 -1.673 0.00 0.00 -0.274 OA ATOM 20 N PRO A 4 -2.570 -1.769 -0.223 0.00 0.00 -0.288 N ATOM 21 CA PRO A 4 -1.653 -2.629 0.542 0.00 0.00 +0.162 C ATOM 22 CB PRO A 4 -2.456 -2.857 1.813 0.00 0.00 +0.033 C ATOM 23 CG PRO A 4 -3.184 -1.510 2.017 0.00 0.00 +0.021 C ATOM 24 C PRO A 4 -0.850 -3.760 -0.144 0.00 0.00 +0.234 C ATOM 25 O PRO A 4 -1.015 -4.060 -1.327 0.00 0.00 -0.274 OA ATOM 26 N GLU A 5 0.130 -4.431 0.535 0.00 0.00 -0.302 N ATOM 27 H GLU A 5 0.568 -5.157 -0.025 0.00 0.00 +0.150 HD ATOM 28 CA GLU A 5 0.497 -4.365 1.950 0.00 0.00 +0.159 C ATOM 29 C GLU A 5 2.017 -4.598 2.116 0.00 0.00 +0.234 C ATOM 30 O GLU A 5 2.482 -5.645 2.572 0.00 0.00 -0.274 OA ATOM 31 N CYS A 6 2.908 -3.617 1.800 0.00 0.00 -0.302 N ATOM 32 H CYS A 6 3.820 -3.830 2.177 0.00 0.00 +0.150 HD ATOM 33 CA CYS A 6 2.805 -2.524 0.832 0.00 0.00 +0.169 C ATOM 34 C CYS A 6 3.536 -2.690 -0.522 0.00 0.00 +0.235 C ATOM 35 N PHE A 7 4.761 -3.266 -0.662 0.00 0.00 -0.302 N ATOM 36 H PHE A 7 5.063 -3.212 -1.640 0.00 0.00 +0.150 HD ATOM 37 CA PHE A 7 5.365 -4.412 0.019 0.00 0.00 +0.163 C ATOM 38 C PHE A 7 6.918 -4.524 -0.004 0.00 0.00 +0.237 C ATOM 39 N PRO A 8 7.718 -3.401 -0.046 0.00 0.00 -0.288 N ATOM 40 CA PRO A 8 7.370 -1.974 -0.212 0.00 0.00 +0.162 C ATOM 41 C PRO A 8 7.087 -1.691 -1.711 0.00 0.00 +0.234 C ATOM 42 N ASP A 9 6.954 -0.439 -2.213 0.00 0.00 -0.302 N ATOM 43 H ASP A 9 6.643 -0.469 -3.184 0.00 0.00 +0.150 HD ATOM 44 CA ASP A 9 7.024 0.912 -1.633 0.00 0.00 +0.169 C ATOM 45 C ASP A 9 5.825 1.696 -2.219 0.00 0.00 +0.234 C ATOM 46 N GLY A 10 5.402 2.862 -1.655 0.00 0.00 -0.305 N ATOM 47 H GLY A 10 4.650 3.286 -2.195 0.00 0.00 +0.149 HD ATOM 48 CA GLY A 10 6.041 3.688 -0.645 0.00 0.00 +0.200 C ATOM 49 C GLY A 10 5.524 5.124 -0.746 0.00 0.00 +0.231 C ATOM 50 N ARG A 11 4.274 5.414 -0.287 0.00 0.00 -0.303 N ATOM 51 H ARG A 11 4.030 6.397 -0.401 0.00 0.00 +0.149 HD ATOM 52 CA ARG A 11 3.459 4.653 0.670 0.00 0.00 +0.159 C ATOM 53 C ARG A 11 2.027 5.160 0.425 0.00 0.00 +0.234 C ATOM 54 N CYS A 12 1.157 4.415 -0.322 0.00 0.00 -0.302 N ATOM 55 H CYS A 12 0.429 5.051 -0.616 0.00 0.00 +0.150 HD ATOM 56 CA CYS A 12 0.569 3.098 0.035 0.00 0.00 +0.169 C ATOM 57 CB CYS A 12 1.578 2.017 0.450 0.00 0.00 +0.112 C ATOM 58 SG CYS A 12 0.822 0.407 0.873 0.00 0.00 -0.091 S ATOM 59 SG CYS A 6 2.046 -0.307 2.370 0.00 0.00 -0.091 S ATOM 60 C CYS A 12 -0.442 3.331 1.176 0.00 0.00 +0.235 C ATOM 61 O CYS A 12 -0.044 3.493 2.337 0.00 0.00 -0.274 OA ATOM 62 N GLN A 13 -1.780 3.446 0.973 0.00 0.00 -0.302 N ATOM 63 H GLN A 13 -2.250 3.622 1.857 0.00 0.00 +0.150 HD ATOM 64 CA GLN A 13 -2.620 3.688 -0.216 0.00 0.00 +0.159 C ATOM 65 C GLN A 13 -2.677 2.505 -1.213 0.00 0.00 +0.234 C ATOM 66 O GLN A 13 -1.846 1.598 -1.196 0.00 0.00 -0.274 OA ATOM 67 O ARG A 11 1.707 6.336 0.647 0.00 0.00 -0.274 OA ATOM 68 O GLY A 10 6.186 6.006 -1.293 0.00 0.00 -0.274 OA ATOM 69 O ASP A 9 5.220 1.288 -3.216 0.00 0.00 -0.274 OA ATOM 70 O PRO A 8 6.875 -2.620 -2.499 0.00 0.00 -0.274 OA ATOM 71 CB PRO A 8 8.619 -1.289 0.346 0.00 0.00 +0.033 C ATOM 72 CG PRO A 8 9.748 -2.184 -0.145 0.00 0.00 +0.021 C ATOM 73 CD PRO A 8 9.163 -3.577 0.013 0.00 0.00 +0.109 C ATOM 74 O PHE A 7 7.446 -5.625 0.210 0.00 0.00 -0.274 OA ATOM 75 O CYS A 6 3.109 -2.066 -1.500 0.00 0.00 -0.274 OA ATOM 76 CB CYS A 6 3.332 -1.205 1.431 0.00 0.00 +0.112 C ATOM 77 CD PRO A 4 -2.975 -0.734 0.712 0.00 0.00 +0.109 C ATOM 78 CD PRO A 3 -5.333 -5.500 -1.248 0.00 0.00 +0.109 C ATOM 79 N UNK A 14 -3.616 2.501 -2.209 0.00 0.00 -0.302 N ATOM 80 H UNK A 14 -3.521 1.665 -2.782 0.00 0.00 +0.150 HD ENDROOT BRANCH 64 81 ATOM 81 CB GLN A 13 -2.299 5.009 -0.936 0.00 0.00 +0.041 C BRANCH 81 82 ATOM 82 CG GLN A 13 -2.120 6.223 -0.018 0.00 0.00 +0.098 C BRANCH 82 83 ATOM 83 CD GLN A 13 -3.385 6.596 0.722 0.00 0.00 +0.211 C ATOM 84 OE1 GLN A 13 -4.466 6.044 0.557 0.00 0.00 -0.276 OA ATOM 85 NE2 GLN A 13 -3.237 7.619 1.609 0.00 0.00 -0.329 N ATOM 86 HE21 GLN A 13 -2.353 8.078 1.784 0.00 0.00 +0.145 HD ATOM 87 HE22 GLN A 13 -4.052 7.919 2.129 0.00 0.00 +0.145 HD ENDBRANCH 82 83 ENDBRANCH 81 82 ENDBRANCH 64 81 BRANCH 44 88 ATOM 88 CB ASP A 9 8.382 1.536 -1.952 0.00 0.00 +0.152 C BRANCH 88 89 ATOM 89 CG ASP A 9 8.525 1.971 -3.381 0.00 0.00 +0.307 C ATOM 90 OD1 ASP A 9 9.159 1.374 -4.237 0.00 0.00 -0.251 OA BRANCH 89 91 ATOM 91 OD2 ASP A 9 7.915 3.139 -3.640 0.00 0.00 -0.481 OA ATOM 92 HD2 ASP A 9 8.089 3.303 -4.593 0.00 0.00 +0.295 HD ENDBRANCH 89 91 ENDBRANCH 88 89 ENDBRANCH 44 88 BRANCH 37 93 ATOM 93 CB PHE A 7 4.710 -5.739 -0.451 0.00 0.00 +0.067 C BRANCH 93 94 ATOM 94 CG PHE A 7 4.774 -5.958 -1.950 0.00 0.00 -0.045 A ATOM 95 CD2 PHE A 7 5.919 -6.509 -2.543 0.00 0.00 +0.004 A ATOM 96 CE2 PHE A 7 6.003 -6.649 -3.931 0.00 0.00 +0.000 A ATOM 97 CZ PHE A 7 4.941 -6.253 -4.739 0.00 0.00 +0.000 A ATOM 98 CE1 PHE A 7 3.791 -5.718 -4.161 0.00 0.00 +0.000 A ATOM 99 CD1 PHE A 7 3.707 -5.573 -2.774 0.00 0.00 +0.004 A ENDBRANCH 93 94 ENDBRANCH 37 93 BRANCH 52 100 ATOM 100 CB ARG A 11 3.960 4.949 2.091 0.00 0.00 +0.033 C BRANCH 100 101 ATOM 101 CG ARG A 11 3.424 3.959 3.129 0.00 0.00 +0.023 C BRANCH 101 102 ATOM 102 CD ARG A 11 4.063 4.135 4.507 0.00 0.00 +0.115 C BRANCH 102 103 ATOM 103 NE ARG A 11 5.410 3.577 4.500 0.00 0.00 -0.356 N ATOM 104 HE ARG A 11 5.987 3.959 3.757 0.00 0.00 +0.162 HD BRANCH 103 105 ATOM 105 CZ ARG A 11 6.190 3.527 5.600 0.00 0.00 +0.188 C ATOM 106 NH1 ARG A 11 7.439 3.804 5.494 0.00 0.00 -0.269 NA ATOM 107 HH1 ARG A 11 7.875 3.749 6.418 0.00 0.00 +0.190 HD BRANCH 105 108 ATOM 108 NH2 ARG A 11 5.590 3.171 6.746 0.00 0.00 -0.370 N ATOM 109 HH21 ARG A 11 4.847 2.494 6.616 0.00 0.00 +0.159 HD ATOM 110 HH22 ARG A 11 6.211 2.893 7.494 0.00 0.00 +0.159 HD ENDBRANCH 105 108 ENDBRANCH 103 105 ENDBRANCH 102 103 ENDBRANCH 101 102 ENDBRANCH 100 101 ENDBRANCH 52 100 BRANCH 28 111 ATOM 111 CB GLU A 5 -0.322 -5.422 2.727 0.00 0.00 +0.043 C BRANCH 111 112 ATOM 112 CG GLU A 5 -0.488 -5.135 4.220 0.00 0.00 +0.123 C BRANCH 112 113 ATOM 113 CD GLU A 5 0.806 -5.131 4.975 0.00 0.00 +0.305 C ATOM 114 OE1 GLU A 5 1.517 -4.151 5.148 0.00 0.00 -0.251 OA BRANCH 113 115 ATOM 115 OE2 GLU A 5 1.151 -6.348 5.423 0.00 0.00 -0.481 OA ATOM 116 HE2 GLU A 5 2.061 -6.240 5.771 0.00 0.00 +0.295 HD ENDBRANCH 113 115 ENDBRANCH 112 113 ENDBRANCH 111 112 ENDBRANCH 28 111 BRANCH 11 117 ATOM 117 CB GLU A 2 -7.029 -2.637 1.363 0.00 0.00 +0.043 C BRANCH 117 118 ATOM 118 CG GLU A 2 -8.444 -3.177 1.577 0.00 0.00 +0.123 C BRANCH 118 119 ATOM 119 CD GLU A 2 -8.679 -4.459 0.833 0.00 0.00 +0.305 C ATOM 120 OE1 GLU A 2 -8.043 -5.490 0.971 0.00 0.00 -0.251 OA BRANCH 119 121 ATOM 121 OE2 GLU A 2 -9.662 -4.349 -0.076 0.00 0.00 -0.481 OA ATOM 122 HE2 GLU A 2 -9.613 -5.178 -0.598 0.00 0.00 +0.295 HD ENDBRANCH 119 121 ENDBRANCH 118 119 ENDBRANCH 117 118 ENDBRANCH 11 117 BRANCH 6 123 ATOM 123 CB SER A 1 -7.491 2.273 0.449 0.00 0.00 +0.187 C BRANCH 123 124 ATOM 124 OG SER A 1 -8.379 2.134 1.560 0.00 0.00 -0.393 OA ATOM 125 H SER A 1 -9.205 1.766 1.190 0.00 0.00 +0.209 HD ENDBRANCH 123 124 ENDBRANCH 6 123 BRANCH 1 126 ATOM 126 C UNK A 14 -5.364 3.889 -3.308 0.00 0.00 +0.067 C BRANCH 126 131 ATOM 127 C UNK A 14 -10.087 7.063 -2.047 0.00 0.00 +0.044 C ATOM 128 C UNK A 14 -8.874 6.248 -2.378 0.00 0.00 -0.050 A ATOM 129 C UNK A 14 -7.605 6.667 -1.965 0.00 0.00 +0.003 A ATOM 130 C UNK A 14 -6.473 5.917 -2.285 0.00 0.00 +0.004 A ATOM 131 C UNK A 14 -6.586 4.737 -3.030 0.00 0.00 -0.045 A ATOM 132 C UNK A 14 -7.854 4.332 -3.463 0.00 0.00 +0.004 A ATOM 133 C UNK A 14 -8.988 5.083 -3.143 0.00 0.00 +0.003 A ENDBRANCH 126 131 ENDBRANCH 1 126 TORSDOF 26