REMARK Name = BDB065147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ALA A 8 2.005 -1.200 8.090 0.00 0.00 +0.156 C ATOM 2 CB ALA A 8 0.776 -0.607 8.776 0.00 0.00 +0.038 C ENDROOT BRANCH 1 3 ATOM 3 C ALA A 8 2.123 -2.732 8.226 0.00 0.00 +0.234 C ATOM 4 N GLN A 9 1.123 -3.444 7.588 0.00 0.00 -0.302 N ATOM 5 H GLN A 9 0.502 -2.871 7.028 0.00 0.00 +0.150 HD ATOM 6 O ALA A 8 3.080 -3.269 8.780 0.00 0.00 -0.274 OA BRANCH 4 7 ATOM 7 CA GLN A 9 1.396 -4.787 7.129 0.00 0.00 +0.159 C BRANCH 7 8 ATOM 8 C GLN A 9 2.400 -4.733 5.940 0.00 0.00 +0.234 C ATOM 9 N LEU A 10 3.124 -5.894 5.747 0.00 0.00 -0.302 N ATOM 10 H LEU A 10 2.939 -6.681 6.358 0.00 0.00 +0.150 HD ATOM 11 O GLN A 9 2.585 -3.738 5.243 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 CA LEU A 10 4.418 -5.861 5.071 0.00 0.00 +0.159 C BRANCH 12 13 ATOM 13 C LEU A 10 4.293 -6.156 3.547 0.00 0.00 +0.234 C ATOM 14 N THR A 11 3.639 -5.194 2.801 0.00 0.00 -0.300 N ATOM 15 H THR A 11 3.281 -4.364 3.274 0.00 0.00 +0.150 HD ATOM 16 O LEU A 10 4.794 -7.152 3.024 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 CA THR A 11 3.862 -5.141 1.346 0.00 0.00 +0.187 C BRANCH 17 18 ATOM 18 C THR A 11 4.070 -3.685 0.850 0.00 0.00 +0.237 C ATOM 19 N SER A 12 5.090 -3.540 -0.063 0.00 0.00 -0.300 N ATOM 20 H SER A 12 5.642 -4.345 -0.365 0.00 0.00 +0.150 HD ATOM 21 O THR A 11 3.400 -2.734 1.243 0.00 0.00 -0.274 OA BRANCH 19 22 ATOM 22 CA SER A 12 5.556 -2.253 -0.620 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C SER A 12 6.710 -2.622 -1.582 0.00 0.00 +0.236 C ATOM 24 N ASN A 13 7.339 -1.696 -2.357 0.00 0.00 -0.302 N ATOM 25 H ASN A 13 8.035 -2.099 -2.970 0.00 0.00 +0.150 HD ATOM 26 O SER A 12 7.105 -3.796 -1.645 0.00 0.00 -0.274 OA BRANCH 24 27 ATOM 27 CA ASN A 13 6.973 -0.311 -2.687 0.00 0.00 +0.168 C BRANCH 27 28 ATOM 28 C ASN A 13 6.904 -0.247 -4.225 0.00 0.00 +0.234 C ATOM 29 N ASN A 14 5.855 0.353 -4.861 0.00 0.00 -0.302 N ATOM 30 H ASN A 14 5.926 0.209 -5.877 0.00 0.00 +0.150 HD ATOM 31 O ASN A 13 7.813 -0.695 -4.939 0.00 0.00 -0.274 OA BRANCH 29 32 ATOM 32 CA ASN A 14 4.799 1.226 -4.332 0.00 0.00 +0.168 C BRANCH 32 33 ATOM 33 C ASN A 14 3.737 0.379 -3.586 0.00 0.00 +0.234 C ATOM 34 N VAL A 15 2.610 1.070 -3.192 0.00 0.00 -0.302 N ATOM 35 H VAL A 15 2.621 2.081 -3.359 0.00 0.00 +0.150 HD ATOM 36 O ASN A 14 3.920 -0.810 -3.345 0.00 0.00 -0.274 OA BRANCH 34 37 ATOM 37 CA VAL A 15 1.711 0.705 -2.076 0.00 0.00 +0.161 C BRANCH 37 38 ATOM 38 C VAL A 15 2.103 1.626 -0.900 0.00 0.00 +0.234 C ATOM 39 N LEU A 16 1.036 2.235 -0.240 0.00 0.00 -0.302 N ATOM 40 H LEU A 16 0.118 1.808 -0.332 0.00 0.00 +0.150 HD ATOM 41 O VAL A 15 3.276 1.816 -0.563 0.00 0.00 -0.274 OA BRANCH 39 42 ATOM 42 CA LEU A 16 1.318 3.008 0.977 0.00 0.00 +0.159 C BRANCH 42 43 ATOM 43 C LEU A 16 0.094 3.048 1.918 0.00 0.00 +0.234 C ATOM 44 N UNK A 17 -0.964 3.833 1.528 0.00 0.00 -0.301 N ATOM 45 H UNK A 17 -0.970 4.293 0.613 0.00 0.00 +0.150 HD ATOM 46 O LEU A 16 0.073 2.426 2.981 0.00 0.00 -0.274 OA BRANCH 44 47 ATOM 47 C UNK A 17 -1.855 4.377 2.544 0.00 0.00 +0.184 C BRANCH 47 48 ATOM 48 C UNK A 17 -2.895 3.357 3.006 0.00 0.00 +0.233 C ATOM 49 O UNK A 17 -3.118 3.105 4.189 0.00 0.00 -0.274 OA ATOM 50 N UNK A 17 -3.691 2.811 2.034 0.00 0.00 -0.328 N ATOM 51 H UNK A 17 -4.235 1.993 2.299 0.00 0.00 +0.145 HD ATOM 52 H UNK A 17 -3.350 2.802 1.078 0.00 0.00 +0.145 HD ENDBRANCH 47 48 BRANCH 47 53 ATOM 53 C UNK A 17 -2.540 5.651 2.057 0.00 0.00 +0.187 C BRANCH 53 54 ATOM 54 O UNK A 17 -2.995 5.510 0.700 0.00 0.00 -0.393 OA ATOM 55 H UNK A 17 -3.945 5.737 0.715 0.00 0.00 +0.209 HD ENDBRANCH 53 54 ENDBRANCH 47 53 ENDBRANCH 44 47 ENDBRANCH 42 43 BRANCH 42 56 ATOM 56 CB LEU A 16 1.855 4.420 0.635 0.00 0.00 +0.034 C BRANCH 56 57 ATOM 57 CG LEU A 16 2.708 5.114 1.721 0.00 0.00 -0.015 C ATOM 58 CD2 LEU A 16 3.940 4.298 2.121 0.00 0.00 +0.007 C ATOM 59 CD1 LEU A 16 1.909 5.513 2.959 0.00 0.00 +0.007 C ENDBRANCH 56 57 ENDBRANCH 42 56 ENDBRANCH 39 42 ENDBRANCH 37 38 BRANCH 37 60 ATOM 60 CB VAL A 15 1.627 -0.783 -1.668 0.00 0.00 +0.012 C ATOM 61 CG2 VAL A 15 1.031 -1.652 -2.776 0.00 0.00 +0.009 C ATOM 62 CG1 VAL A 15 0.838 -0.982 -0.373 0.00 0.00 +0.009 C ENDBRANCH 37 60 ENDBRANCH 34 37 ENDBRANCH 32 33 BRANCH 32 63 ATOM 63 CB ASN A 14 4.179 2.015 -5.492 0.00 0.00 +0.127 C BRANCH 63 64 ATOM 64 CG ASN A 14 3.892 3.427 -5.041 0.00 0.00 +0.213 C ATOM 65 OD1 ASN A 14 2.961 3.681 -4.280 0.00 0.00 -0.276 OA ATOM 66 ND2 ASN A 14 4.759 4.368 -5.490 0.00 0.00 -0.329 N ATOM 67 HD21 ASN A 14 5.610 4.147 -5.988 0.00 0.00 +0.145 HD ATOM 68 HD22 ASN A 14 4.599 5.336 -5.228 0.00 0.00 +0.145 HD ENDBRANCH 63 64 ENDBRANCH 32 63 ENDBRANCH 29 32 ENDBRANCH 27 28 BRANCH 27 69 ATOM 69 CB ASN A 13 7.970 0.755 -2.198 0.00 0.00 +0.127 C BRANCH 69 70 ATOM 70 CG ASN A 13 9.380 0.221 -2.058 0.00 0.00 +0.213 C ATOM 71 OD1 ASN A 13 10.166 0.132 -2.997 0.00 0.00 -0.276 OA ATOM 72 ND2 ASN A 13 9.700 -0.242 -0.825 0.00 0.00 -0.329 N ATOM 73 HD21 ASN A 13 10.573 -0.755 -0.739 0.00 0.00 +0.145 HD ATOM 74 HD22 ASN A 13 8.996 -0.369 -0.106 0.00 0.00 +0.145 HD ENDBRANCH 69 70 ENDBRANCH 27 69 ENDBRANCH 24 27 ENDBRANCH 22 23 BRANCH 22 75 ATOM 75 CB SER A 12 6.058 -1.311 0.483 0.00 0.00 +0.187 C BRANCH 75 76 ATOM 76 OG SER A 12 5.886 0.057 0.136 0.00 0.00 -0.393 OA ATOM 77 H SER A 12 5.199 0.418 0.740 0.00 0.00 +0.209 HD ENDBRANCH 75 76 ENDBRANCH 22 75 ENDBRANCH 19 22 ENDBRANCH 17 18 BRANCH 17 78 ATOM 78 CB THR A 11 2.753 -5.820 0.494 0.00 0.00 +0.141 C ATOM 79 CG2 THR A 11 3.206 -7.165 -0.061 0.00 0.00 +0.040 C BRANCH 78 80 ATOM 80 OG1 THR A 11 1.537 -6.029 1.235 0.00 0.00 -0.390 OA ATOM 81 HG1 THR A 11 1.815 -6.141 2.167 0.00 0.00 +0.210 HD ENDBRANCH 78 80 ENDBRANCH 17 78 ENDBRANCH 14 17 ENDBRANCH 12 13 BRANCH 12 82 ATOM 82 CB LEU A 10 5.417 -6.853 5.719 0.00 0.00 +0.034 C BRANCH 82 83 ATOM 83 CG LEU A 10 5.972 -6.501 7.119 0.00 0.00 -0.015 C ATOM 84 CD2 LEU A 10 4.919 -6.545 8.219 0.00 0.00 +0.007 C ATOM 85 CD1 LEU A 10 6.735 -5.181 7.143 0.00 0.00 +0.007 C ENDBRANCH 82 83 ENDBRANCH 12 82 ENDBRANCH 9 12 ENDBRANCH 7 8 BRANCH 7 86 ATOM 86 CB GLN A 9 0.138 -5.591 6.779 0.00 0.00 +0.041 C BRANCH 86 87 ATOM 87 CG GLN A 9 -0.872 -4.874 5.882 0.00 0.00 +0.098 C BRANCH 87 88 ATOM 88 CD GLN A 9 -1.976 -4.289 6.727 0.00 0.00 +0.211 C ATOM 89 OE1 GLN A 9 -2.936 -4.938 7.141 0.00 0.00 -0.276 OA ATOM 90 NE2 GLN A 9 -1.865 -2.967 7.051 0.00 0.00 -0.329 N ATOM 91 HE21 GLN A 9 -2.700 -2.588 7.481 0.00 0.00 +0.145 HD ATOM 92 HE22 GLN A 9 -1.406 -2.318 6.408 0.00 0.00 +0.145 HD ENDBRANCH 87 88 ENDBRANCH 86 87 ENDBRANCH 7 86 ENDBRANCH 4 7 ENDBRANCH 1 3 BRANCH 1 94 ATOM 93 C TRP A 7 1.158 -0.901 5.736 0.00 0.00 +0.234 C ATOM 94 N ALA A 8 2.151 -0.826 6.678 0.00 0.00 -0.303 N ATOM 95 H ALA A 8 3.092 -0.992 6.322 0.00 0.00 +0.149 HD ATOM 96 O TRP A 7 0.008 -1.233 6.052 0.00 0.00 -0.274 OA BRANCH 93 97 ATOM 97 CA TRP A 7 1.552 -0.635 4.255 0.00 0.00 +0.163 C BRANCH 97 99 ATOM 98 C TYR A 6 -0.426 -1.328 2.846 0.00 0.00 +0.234 C ATOM 99 N TRP A 7 0.263 -0.374 3.563 0.00 0.00 -0.302 N ATOM 100 H TRP A 7 -0.246 0.442 3.886 0.00 0.00 +0.150 HD ATOM 101 O TYR A 6 0.095 -2.380 2.493 0.00 0.00 -0.274 OA BRANCH 98 102 ATOM 102 CA TYR A 6 -1.907 -0.974 2.535 0.00 0.00 +0.163 C BRANCH 102 104 ATOM 103 C HIS A 5 -3.365 -0.652 0.574 0.00 0.00 +0.234 C ATOM 104 N TYR A 6 -2.291 -1.278 1.157 0.00 0.00 -0.302 N ATOM 105 H TYR A 6 -1.863 -2.101 0.745 0.00 0.00 +0.150 HD ATOM 106 O HIS A 5 -3.965 0.266 1.144 0.00 0.00 -0.274 OA BRANCH 103 107 ATOM 107 CA HIS A 5 -3.815 -1.149 -0.817 0.00 0.00 +0.165 C BRANCH 107 109 ATOM 108 C GLU A 4 -5.404 -0.216 -2.506 0.00 0.00 +0.234 C ATOM 109 N HIS A 5 -4.886 -0.219 -1.240 0.00 0.00 -0.302 N ATOM 110 H HIS A 5 -4.868 0.656 -0.722 0.00 0.00 +0.150 HD ATOM 111 O GLU A 4 -5.379 -1.190 -3.256 0.00 0.00 -0.274 OA BRANCH 108 112 ATOM 112 CA GLU A 4 -5.939 1.149 -2.975 0.00 0.00 +0.159 C BRANCH 112 114 ATOM 113 C PHE A 3 -5.085 1.787 -5.199 0.00 0.00 +0.234 C ATOM 114 N GLU A 4 -6.011 1.100 -4.441 0.00 0.00 -0.302 N ATOM 115 H GLU A 4 -6.283 0.179 -4.770 0.00 0.00 +0.150 HD ATOM 116 O PHE A 3 -4.518 2.798 -4.761 0.00 0.00 -0.274 OA BRANCH 113 117 ATOM 117 CA PHE A 3 -4.881 1.347 -6.665 0.00 0.00 +0.163 C BRANCH 117 119 ATOM 118 C THR A 2 -3.017 2.403 -8.037 0.00 0.00 +0.236 C ATOM 119 N PHE A 3 -3.459 1.615 -6.999 0.00 0.00 -0.302 N ATOM 120 H PHE A 3 -2.834 0.838 -6.854 0.00 0.00 +0.150 HD ATOM 121 O THR A 2 -1.948 2.093 -8.569 0.00 0.00 -0.274 OA BRANCH 118 122 ATOM 122 CA THR A 2 -3.831 3.646 -8.444 0.00 0.00 +0.187 C BRANCH 122 124 ATOM 123 C LEU A 1 -4.673 5.659 -7.247 0.00 0.00 +0.234 C ATOM 124 N THR A 2 -3.793 4.605 -7.341 0.00 0.00 -0.300 N ATOM 125 H THR A 2 -3.062 4.509 -6.647 0.00 0.00 +0.150 HD ATOM 126 O LEU A 1 -5.633 5.761 -8.000 0.00 0.00 -0.274 OA BRANCH 123 127 ATOM 127 CA LEU A 1 -4.278 6.758 -6.219 0.00 0.00 +0.159 C BRANCH 127 130 ATOM 128 C UNK A 0 -3.451 9.616 -5.765 0.00 0.00 +0.109 C ATOM 129 C UNK A 0 -4.833 9.246 -6.240 0.00 0.00 +0.211 C ATOM 130 N LEU A 1 -5.118 7.928 -6.432 0.00 0.00 -0.304 N ATOM 131 H LEU A 1 -6.040 7.766 -6.821 0.00 0.00 +0.149 HD ATOM 132 O UNK A 0 -5.695 10.097 -6.439 0.00 0.00 -0.276 OA ENDBRANCH 127 130 BRANCH 127 133 ATOM 133 CB LEU A 1 -4.227 6.293 -4.744 0.00 0.00 +0.034 C BRANCH 133 134 ATOM 134 CG LEU A 1 -5.555 5.823 -4.109 0.00 0.00 -0.015 C ATOM 135 CD2 LEU A 1 -5.265 5.106 -2.783 0.00 0.00 +0.007 C ATOM 136 CD1 LEU A 1 -6.525 6.973 -3.818 0.00 0.00 +0.007 C ENDBRANCH 133 134 ENDBRANCH 127 133 ENDBRANCH 123 127 ENDBRANCH 122 124 BRANCH 122 137 ATOM 137 CB THR A 2 -3.308 4.247 -9.789 0.00 0.00 +0.141 C ATOM 138 CG2 THR A 2 -1.952 4.941 -9.711 0.00 0.00 +0.040 C BRANCH 137 139 ATOM 139 OG1 THR A 2 -3.272 3.248 -10.817 0.00 0.00 -0.390 OA ATOM 140 HG1 THR A 2 -2.639 2.558 -10.531 0.00 0.00 +0.210 HD ENDBRANCH 137 139 ENDBRANCH 122 137 ENDBRANCH 118 122 ENDBRANCH 117 119 BRANCH 117 141 ATOM 141 CB PHE A 3 -5.230 -0.120 -6.943 0.00 0.00 +0.067 C BRANCH 141 142 ATOM 142 CG PHE A 3 -4.845 -0.598 -8.325 0.00 0.00 -0.045 A ATOM 143 CD2 PHE A 3 -5.347 0.034 -9.477 0.00 0.00 +0.004 A ATOM 144 CE2 PHE A 3 -4.960 -0.405 -10.741 0.00 0.00 +0.000 A ATOM 145 CZ PHE A 3 -4.107 -1.502 -10.873 0.00 0.00 +0.000 A ATOM 146 CE1 PHE A 3 -3.602 -2.130 -9.740 0.00 0.00 +0.000 A ATOM 147 CD1 PHE A 3 -3.971 -1.681 -8.470 0.00 0.00 +0.004 A ENDBRANCH 141 142 ENDBRANCH 117 141 ENDBRANCH 113 117 ENDBRANCH 112 114 BRANCH 112 148 ATOM 148 CB GLU A 4 -7.276 1.502 -2.318 0.00 0.00 +0.043 C BRANCH 148 149 ATOM 149 CG GLU A 4 -8.433 0.580 -2.689 0.00 0.00 +0.123 C BRANCH 149 150 ATOM 150 CD GLU A 4 -9.703 1.149 -2.108 0.00 0.00 +0.305 C ATOM 151 OE1 GLU A 4 -10.163 0.821 -1.026 0.00 0.00 -0.251 OA BRANCH 150 152 ATOM 152 OE2 GLU A 4 -10.264 2.109 -2.880 0.00 0.00 -0.481 OA ATOM 153 HE2 GLU A 4 -9.810 2.271 -3.727 0.00 0.00 +0.295 HD ENDBRANCH 150 152 ENDBRANCH 149 150 ENDBRANCH 148 149 ENDBRANCH 112 148 ENDBRANCH 108 112 ENDBRANCH 107 109 BRANCH 107 154 ATOM 154 CB HIS A 5 -2.660 -1.226 -1.819 0.00 0.00 +0.088 C BRANCH 154 155 ATOM 155 CG HIS A 5 -2.253 0.098 -2.380 0.00 0.00 +0.061 A ATOM 156 ND1 HIS A 5 -2.045 1.202 -1.572 0.00 0.00 -0.241 NA ATOM 157 CE1 HIS A 5 -1.816 2.200 -2.405 0.00 0.00 +0.196 A ATOM 158 NE2 HIS A 5 -1.817 1.777 -3.707 0.00 0.00 -0.351 N ATOM 159 HE2 HIS A 5 -1.666 2.365 -4.517 0.00 0.00 +0.166 HD ATOM 160 CD2 HIS A 5 -2.091 0.446 -3.706 0.00 0.00 +0.107 A ENDBRANCH 154 155 ENDBRANCH 107 154 ENDBRANCH 103 107 ENDBRANCH 102 104 BRANCH 102 161 ATOM 161 CB TYR A 6 -2.872 -1.610 3.552 0.00 0.00 +0.067 C BRANCH 161 162 ATOM 162 CG TYR A 6 -3.268 -3.082 3.436 0.00 0.00 -0.045 A ATOM 163 CD2 TYR A 6 -2.564 -4.038 2.698 0.00 0.00 +0.007 A ATOM 164 CE2 TYR A 6 -2.953 -5.384 2.685 0.00 0.00 +0.045 A ATOM 165 CZ TYR A 6 -4.046 -5.787 3.438 0.00 0.00 +0.117 A ATOM 166 CE1 TYR A 6 -4.759 -4.869 4.194 0.00 0.00 +0.045 A ATOM 167 CD1 TYR A 6 -4.374 -3.521 4.194 0.00 0.00 +0.007 A BRANCH 165 168 ATOM 168 OH TYR A 6 -4.400 -7.095 3.460 0.00 0.00 -0.507 OA ATOM 169 HH TYR A 6 -4.794 -7.263 2.583 0.00 0.00 +0.292 HD ENDBRANCH 165 168 ENDBRANCH 161 162 ENDBRANCH 102 161 ENDBRANCH 98 102 ENDBRANCH 97 99 BRANCH 97 170 ATOM 170 CB TRP A 7 2.466 0.576 4.039 0.00 0.00 +0.069 C BRANCH 170 171 ATOM 171 CG TRP A 7 3.871 0.581 4.573 0.00 0.00 -0.020 A ATOM 172 CD2 TRP A 7 4.896 -0.424 4.545 0.00 0.00 +0.003 A ATOM 173 CE2 TRP A 7 6.033 0.104 5.165 0.00 0.00 +0.047 A ATOM 174 CZ2 TRP A 7 7.230 -0.617 5.318 0.00 0.00 +0.026 A ATOM 175 CH2 TRP A 7 7.278 -1.910 4.801 0.00 0.00 +0.002 A ATOM 176 CZ3 TRP A 7 6.172 -2.466 4.170 0.00 0.00 +0.001 A ATOM 177 NE1 TRP A 7 5.726 1.382 5.551 0.00 0.00 -0.360 N ATOM 178 HE1 TRP A 7 6.358 2.029 6.013 0.00 0.00 +0.165 HD ATOM 179 CE3 TRP A 7 4.985 -1.741 4.050 0.00 0.00 +0.010 A ATOM 180 CD1 TRP A 7 4.437 1.680 5.202 0.00 0.00 +0.087 A ENDBRANCH 170 171 ENDBRANCH 97 170 ENDBRANCH 93 97 ENDBRANCH 1 94 TORSDOF 69