REMARK Name = BDB062488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LEU A 1 -0.018 -0.058 -0.746 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 C LEU A 1 -1.216 0.740 -0.204 0.00 0.00 +0.234 C ATOM 3 N MET A 2 -1.534 1.876 -0.918 0.00 0.00 -0.302 N ATOM 4 H MET A 2 -1.209 1.934 -1.876 0.00 0.00 +0.150 HD ATOM 5 O LEU A 1 -1.862 0.356 0.770 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 CA MET A 2 -2.764 2.605 -0.612 0.00 0.00 +0.160 C BRANCH 6 7 ATOM 7 C MET A 2 -3.865 2.002 -1.503 0.00 0.00 +0.234 C ATOM 8 N SER A 3 -5.056 1.772 -0.868 0.00 0.00 -0.301 N ATOM 9 H SER A 3 -5.150 1.962 0.130 0.00 0.00 +0.150 HD ATOM 10 O MET A 2 -3.691 1.774 -2.699 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 CA SER A 3 -6.268 1.331 -1.557 0.00 0.00 +0.184 C BRANCH 11 12 ATOM 12 C SER A 3 -7.417 1.470 -0.545 0.00 0.00 +0.236 C ATOM 13 N TRP A 4 -8.676 1.243 -1.043 0.00 0.00 -0.302 N ATOM 14 H TRP A 4 -8.763 0.808 -1.966 0.00 0.00 +0.150 HD ATOM 15 O SER A 3 -7.214 1.789 0.629 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 CA TRP A 4 -9.847 1.227 -0.169 0.00 0.00 +0.163 C BRANCH 16 17 ATOM 17 C TRP A 4 -11.027 0.581 -0.925 0.00 0.00 +0.234 C ATOM 18 N ARG A 5 -11.899 -0.138 -0.139 0.00 0.00 -0.302 N ATOM 19 H ARG A 5 -11.827 -0.045 0.876 0.00 0.00 +0.150 HD ATOM 20 O TRP A 4 -11.187 0.715 -2.137 0.00 0.00 -0.274 OA BRANCH 18 21 ATOM 21 CA ARG A 5 -13.188 -0.619 -0.627 0.00 0.00 +0.159 C BRANCH 21 22 ATOM 22 C ARG A 5 -14.182 -0.521 0.556 0.00 0.00 +0.234 C ATOM 23 N VAL A 6 -15.513 -0.485 0.185 0.00 0.00 -0.302 N ATOM 24 H VAL A 6 -15.701 -0.207 -0.769 0.00 0.00 +0.150 HD ATOM 25 O ARG A 5 -13.792 -0.548 1.721 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 CA VAL A 6 -16.629 -0.306 1.133 0.00 0.00 +0.162 C BRANCH 26 27 ATOM 27 C VAL A 6 -16.743 1.202 1.497 0.00 0.00 +0.237 C ATOM 28 N PRO A 7 -17.988 1.798 1.495 0.00 0.00 -0.286 N ATOM 29 CA PRO A 7 -18.125 3.203 1.907 0.00 0.00 +0.184 C ATOM 30 CB PRO A 7 -19.586 3.555 1.618 0.00 0.00 +0.035 C ATOM 31 CG PRO A 7 -20.015 2.529 0.579 0.00 0.00 +0.021 C ATOM 32 CD PRO A 7 -19.244 1.281 0.979 0.00 0.00 +0.109 C ATOM 33 O VAL A 6 -15.753 1.878 1.794 0.00 0.00 -0.274 OA BRANCH 29 34 ATOM 34 C PRO A 7 -17.842 3.388 3.398 0.00 0.00 +0.325 C ATOM 35 O PRO A 7 -18.017 2.568 4.287 0.00 0.00 -0.249 OA BRANCH 34 36 ATOM 36 OXT PRO A 7 -17.421 4.634 3.698 0.00 0.00 -0.479 OA ATOM 37 HXT PRO A 7 -17.303 4.611 4.670 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 CB VAL A 6 -16.582 -1.215 2.389 0.00 0.00 +0.012 C ATOM 39 CG2 VAL A 6 -16.410 -2.692 2.006 0.00 0.00 +0.009 C ATOM 40 CG1 VAL A 6 -17.845 -1.085 3.248 0.00 0.00 +0.009 C ENDBRANCH 26 38 ENDBRANCH 23 26 ENDBRANCH 21 22 BRANCH 21 41 ATOM 41 CB ARG A 5 -13.123 -2.081 -1.097 0.00 0.00 +0.033 C BRANCH 41 42 ATOM 42 CG ARG A 5 -12.299 -2.333 -2.365 0.00 0.00 +0.023 C BRANCH 42 43 ATOM 43 CD ARG A 5 -12.939 -1.750 -3.626 0.00 0.00 +0.115 C BRANCH 43 44 ATOM 44 NE ARG A 5 -12.124 -2.054 -4.791 0.00 0.00 -0.356 N ATOM 45 HE ARG A 5 -11.496 -2.844 -4.672 0.00 0.00 +0.162 HD BRANCH 44 46 ATOM 46 CZ ARG A 5 -12.573 -2.022 -6.059 0.00 0.00 +0.188 C ATOM 47 NH1 ARG A 5 -12.111 -2.851 -6.924 0.00 0.00 -0.269 NA ATOM 48 HH1 ARG A 5 -12.575 -2.698 -7.820 0.00 0.00 +0.190 HD BRANCH 46 49 ATOM 49 NH2 ARG A 5 -13.501 -1.088 -6.342 0.00 0.00 -0.370 N ATOM 50 HH21 ARG A 5 -13.345 -0.224 -5.830 0.00 0.00 +0.159 HD ATOM 51 HH22 ARG A 5 -13.628 -0.907 -7.327 0.00 0.00 +0.159 HD ENDBRANCH 46 49 ENDBRANCH 44 46 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 21 41 ENDBRANCH 18 21 ENDBRANCH 16 17 BRANCH 16 52 ATOM 52 CB TRP A 4 -10.241 2.648 0.278 0.00 0.00 +0.069 C BRANCH 52 53 ATOM 53 CG TRP A 4 -11.245 2.633 1.384 0.00 0.00 -0.020 A ATOM 54 CD2 TRP A 4 -10.997 2.328 2.760 0.00 0.00 +0.003 A ATOM 55 CE2 TRP A 4 -12.230 2.322 3.413 0.00 0.00 +0.047 A ATOM 56 CZ2 TRP A 4 -12.361 2.030 4.775 0.00 0.00 +0.026 A ATOM 57 CH2 TRP A 4 -11.196 1.741 5.492 0.00 0.00 +0.002 A ATOM 58 CZ3 TRP A 4 -9.951 1.734 4.866 0.00 0.00 +0.001 A ATOM 59 NE1 TRP A 4 -13.186 2.612 2.470 0.00 0.00 -0.360 N ATOM 60 HE1 TRP A 4 -14.192 2.586 2.625 0.00 0.00 +0.165 HD ATOM 61 CE3 TRP A 4 -9.837 2.022 3.501 0.00 0.00 +0.010 A ATOM 62 CD1 TRP A 4 -12.601 2.852 1.257 0.00 0.00 +0.087 A ENDBRANCH 52 53 ENDBRANCH 16 52 ENDBRANCH 13 16 ENDBRANCH 11 12 BRANCH 11 63 ATOM 63 CB SER A 3 -6.187 -0.115 -2.061 0.00 0.00 +0.187 C BRANCH 63 64 ATOM 64 OG SER A 3 -7.301 -0.404 -2.911 0.00 0.00 -0.393 OA ATOM 65 H SER A 3 -7.110 -1.251 -3.353 0.00 0.00 +0.209 HD ENDBRANCH 63 64 ENDBRANCH 11 63 ENDBRANCH 8 11 ENDBRANCH 6 7 BRANCH 6 66 ATOM 66 CB MET A 2 -2.599 4.099 -0.922 0.00 0.00 +0.042 C BRANCH 66 67 ATOM 67 CG MET A 2 -3.804 4.963 -0.537 0.00 0.00 +0.071 C BRANCH 67 68 ATOM 68 SD MET A 2 -4.075 4.975 1.264 0.00 0.00 -0.164 S ATOM 69 CE MET A 2 -5.786 5.567 1.296 0.00 0.00 +0.084 C ENDBRANCH 67 68 ENDBRANCH 66 67 ENDBRANCH 6 66 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 71 ATOM 70 C LEU A 1 1.813 -1.227 0.455 0.00 0.00 +0.234 C ATOM 71 N LEU A 1 0.499 -0.835 0.377 0.00 0.00 -0.302 N ATOM 72 H LEU A 1 -0.182 -1.145 1.061 0.00 0.00 +0.150 HD ATOM 73 O LEU A 1 2.666 -0.841 -0.341 0.00 0.00 -0.274 OA BRANCH 70 74 ATOM 74 CA LEU A 1 2.107 -2.272 1.555 0.00 0.00 +0.162 C BRANCH 74 75 ATOM 75 N LEU A 1 3.268 -3.066 1.130 0.00 0.00 -0.302 N ATOM 76 H LEU A 1 3.078 -3.520 0.245 0.00 0.00 +0.150 HD ATOM 77 C LEU A 1 4.580 -2.669 1.274 0.00 0.00 +0.234 C ATOM 78 O LEU A 1 4.966 -1.794 2.043 0.00 0.00 -0.274 OA BRANCH 77 79 ATOM 79 CA LEU A 1 5.574 -3.443 0.382 0.00 0.00 +0.169 C BRANCH 79 80 ATOM 80 N LEU A 1 6.889 -2.831 0.565 0.00 0.00 -0.302 N ATOM 81 H LEU A 1 7.102 -2.521 1.511 0.00 0.00 +0.150 HD ATOM 82 C LEU A 1 7.598 -2.296 -0.483 0.00 0.00 +0.236 C ATOM 83 O LEU A 1 7.224 -2.381 -1.653 0.00 0.00 -0.274 OA BRANCH 82 84 ATOM 84 CA LEU A 1 8.923 -1.618 -0.099 0.00 0.00 +0.187 C BRANCH 84 85 ATOM 85 N LEU A 1 9.706 -1.435 -1.324 0.00 0.00 -0.300 N ATOM 86 H LEU A 1 9.175 -1.396 -2.190 0.00 0.00 +0.150 HD ATOM 87 C LEU A 1 11.069 -1.289 -1.315 0.00 0.00 +0.234 C ATOM 88 O LEU A 1 11.701 -1.287 -0.258 0.00 0.00 -0.274 OA BRANCH 87 89 ATOM 89 CA LEU A 1 11.722 -1.107 -2.707 0.00 0.00 +0.163 C BRANCH 89 90 ATOM 90 N LEU A 1 13.152 -0.808 -2.568 0.00 0.00 -0.302 N ATOM 91 H LEU A 1 13.704 -1.581 -2.222 0.00 0.00 +0.150 HD ATOM 92 C LEU A 1 13.538 0.443 -2.136 0.00 0.00 +0.234 C ATOM 93 O LEU A 1 12.718 1.356 -2.025 0.00 0.00 -0.274 OA BRANCH 92 94 ATOM 94 CA LEU A 1 15.055 0.682 -1.915 0.00 0.00 +0.163 C BRANCH 94 95 ATOM 95 N LEU A 1 15.181 1.746 -0.919 0.00 0.00 -0.302 N ATOM 96 H LEU A 1 14.655 1.620 -0.060 0.00 0.00 +0.150 HD ATOM 97 C LEU A 1 15.853 2.924 -1.132 0.00 0.00 +0.234 C ATOM 98 O LEU A 1 16.451 3.185 -2.176 0.00 0.00 -0.274 OA BRANCH 97 99 ATOM 99 CA LEU A 1 15.769 3.908 0.057 0.00 0.00 +0.159 C BRANCH 99 100 ATOM 100 N LEU A 1 16.804 4.926 -0.108 0.00 0.00 -0.304 N ATOM 101 H LEU A 1 16.793 5.395 -1.008 0.00 0.00 +0.149 HD ATOM 102 C UNK A 0 18.047 4.745 0.455 0.00 0.00 +0.211 C ATOM 103 O UNK A 0 18.317 3.852 1.251 0.00 0.00 -0.276 OA ATOM 104 C UNK A 0 19.066 5.776 0.042 0.00 0.00 +0.109 C ENDBRANCH 99 100 BRANCH 99 105 ATOM 105 CB LEU A 1 14.368 4.540 0.123 0.00 0.00 +0.034 C BRANCH 105 106 ATOM 106 CG LEU A 1 13.859 4.859 1.544 0.00 0.00 -0.015 C ATOM 107 CD2 LEU A 1 13.607 3.590 2.361 0.00 0.00 +0.007 C ATOM 108 CD1 LEU A 1 14.777 5.816 2.304 0.00 0.00 +0.007 C ENDBRANCH 105 106 ENDBRANCH 99 105 ENDBRANCH 97 99 ENDBRANCH 94 95 BRANCH 94 109 ATOM 109 CB LEU A 1 15.933 -0.528 -1.556 0.00 0.00 +0.069 C BRANCH 109 110 ATOM 110 CG LEU A 1 15.652 -1.154 -0.219 0.00 0.00 -0.020 A ATOM 111 CD2 LEU A 1 16.138 -0.712 1.058 0.00 0.00 +0.003 A ATOM 112 CE2 LEU A 1 15.621 -1.573 2.026 0.00 0.00 +0.047 A ATOM 113 CZ2 LEU A 1 15.878 -1.424 3.394 0.00 0.00 +0.026 A ATOM 114 CH2 LEU A 1 16.694 -0.360 3.789 0.00 0.00 +0.002 A ATOM 115 CZ3 LEU A 1 17.234 0.515 2.849 0.00 0.00 +0.001 A ATOM 116 NE1 LEU A 1 14.871 -2.517 1.368 0.00 0.00 -0.360 N ATOM 117 HE1 LEU A 1 14.373 -3.272 1.818 0.00 0.00 +0.165 HD ATOM 118 CE3 LEU A 1 16.971 0.345 1.484 0.00 0.00 +0.010 A ATOM 119 CD1 LEU A 1 14.916 -2.303 0.016 0.00 0.00 +0.087 A ENDBRANCH 109 110 ENDBRANCH 94 109 ENDBRANCH 92 94 ENDBRANCH 89 90 BRANCH 89 120 ATOM 120 CB LEU A 1 11.476 -2.316 -3.629 0.00 0.00 +0.067 C BRANCH 120 121 ATOM 121 CG LEU A 1 12.101 -3.613 -3.167 0.00 0.00 -0.045 A ATOM 122 CD2 LEU A 1 11.446 -4.430 -2.233 0.00 0.00 +0.007 A ATOM 123 CE2 LEU A 1 12.031 -5.621 -1.796 0.00 0.00 +0.045 A ATOM 124 CZ LEU A 1 13.271 -6.000 -2.301 0.00 0.00 +0.117 A ATOM 125 CE1 LEU A 1 13.927 -5.214 -3.239 0.00 0.00 +0.045 A ATOM 126 CD1 LEU A 1 13.348 -4.019 -3.668 0.00 0.00 +0.007 A BRANCH 124 127 ATOM 127 OH LEU A 1 13.873 -7.156 -1.897 0.00 0.00 -0.507 OA ATOM 128 HH LEU A 1 13.451 -7.436 -1.069 0.00 0.00 +0.292 HD ENDBRANCH 124 127 ENDBRANCH 120 121 ENDBRANCH 89 120 ENDBRANCH 87 89 ENDBRANCH 84 85 BRANCH 84 129 ATOM 129 CB LEU A 1 8.689 -0.300 0.672 0.00 0.00 +0.141 C ATOM 130 CG2 LEU A 1 8.307 0.879 -0.219 0.00 0.00 +0.040 C BRANCH 129 131 ATOM 131 OG1 LEU A 1 9.848 0.062 1.431 0.00 0.00 -0.390 OA ATOM 132 HG1 LEU A 1 10.642 -0.168 0.901 0.00 0.00 +0.210 HD ENDBRANCH 129 131 ENDBRANCH 84 129 ENDBRANCH 82 84 ENDBRANCH 79 80 BRANCH 79 133 ATOM 133 CB LEU A 1 5.593 -4.920 0.747 0.00 0.00 +0.152 C BRANCH 133 134 ATOM 134 CG LEU A 1 6.507 -5.694 -0.165 0.00 0.00 +0.307 C ATOM 135 OD1 LEU A 1 7.673 -5.947 0.104 0.00 0.00 -0.251 OA BRANCH 134 136 ATOM 136 OD2 LEU A 1 5.929 -6.096 -1.317 0.00 0.00 -0.481 OA ATOM 137 HD2 LEU A 1 5.003 -5.821 -1.451 0.00 0.00 +0.295 HD ENDBRANCH 134 136 ENDBRANCH 133 134 ENDBRANCH 79 133 ENDBRANCH 77 79 ENDBRANCH 74 75 BRANCH 74 138 ATOM 138 CB LEU A 1 1.983 -1.746 3.008 0.00 0.00 +0.015 C ATOM 139 CG2 LEU A 1 2.357 -2.830 4.024 0.00 0.00 +0.010 C BRANCH 138 141 ATOM 140 CD1 LEU A 1 2.069 0.341 4.478 0.00 0.00 +0.004 C ATOM 141 CG1 LEU A 1 2.701 -0.413 3.310 0.00 0.00 +0.002 C ENDBRANCH 138 141 ENDBRANCH 74 138 ENDBRANCH 70 74 ENDBRANCH 1 71 BRANCH 1 142 ATOM 142 CB LEU A 1 -0.502 -0.963 -1.895 0.00 0.00 +0.033 C BRANCH 142 143 ATOM 143 CG LEU A 1 0.607 -1.831 -2.503 0.00 0.00 +0.023 C BRANCH 143 144 ATOM 144 CD LEU A 1 0.129 -2.728 -3.643 0.00 0.00 +0.115 C BRANCH 144 145 ATOM 145 NE LEU A 1 -0.949 -3.622 -3.243 0.00 0.00 -0.356 N ATOM 146 HE LEU A 1 -1.530 -3.881 -4.034 0.00 0.00 +0.162 HD BRANCH 145 147 ATOM 147 CZ LEU A 1 -0.771 -4.657 -2.387 0.00 0.00 +0.188 C ATOM 148 NH1 LEU A 1 0.275 -4.895 -1.684 0.00 0.00 -0.269 NA ATOM 149 HH1 LEU A 1 0.127 -5.755 -1.155 0.00 0.00 +0.190 HD BRANCH 147 150 ATOM 150 NH2 LEU A 1 -1.875 -5.430 -2.340 0.00 0.00 -0.370 N ATOM 151 HH21 LEU A 1 -2.730 -4.897 -2.438 0.00 0.00 +0.159 HD ATOM 152 HH22 LEU A 1 -1.931 -6.055 -1.547 0.00 0.00 +0.159 HD ENDBRANCH 147 150 ENDBRANCH 145 147 ENDBRANCH 144 145 ENDBRANCH 143 144 ENDBRANCH 142 143 ENDBRANCH 1 142 TORSDOF 60