REMARK Name = BDB058835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ILE A 14 0.106 3.233 -2.034 0.00 0.00 +0.162 C ATOM 2 C ILE A 14 0.724 1.814 -2.072 0.00 0.00 +0.234 C ATOM 3 O ILE A 14 0.592 1.110 -3.080 0.00 0.00 -0.274 OA ATOM 4 N CYS A 1 1.506 1.321 -1.076 0.00 0.00 -0.302 N ATOM 5 H CYS A 1 1.929 0.435 -1.346 0.00 0.00 +0.150 HD ATOM 6 CA CYS A 1 2.084 1.959 0.105 0.00 0.00 +0.169 C ATOM 7 C CYS A 1 3.612 1.699 0.024 0.00 0.00 +0.235 C ATOM 8 N PHE A 2 4.459 2.460 0.785 0.00 0.00 -0.302 N ATOM 9 H PHE A 2 5.401 2.083 0.836 0.00 0.00 +0.150 HD ATOM 10 CA PHE A 2 4.411 3.923 0.850 0.00 0.00 +0.163 C ATOM 11 C PHE A 2 5.116 4.546 -0.381 0.00 0.00 +0.237 C ATOM 12 N PRO A 3 6.499 4.431 -0.478 0.00 0.00 -0.288 N ATOM 13 CA PRO A 3 7.112 3.175 -0.981 0.00 0.00 +0.162 C ATOM 14 C PRO A 3 7.707 2.294 0.143 0.00 0.00 +0.234 C ATOM 15 N ASP A 4 8.424 1.173 -0.175 0.00 0.00 -0.302 N ATOM 16 H ASP A 4 8.695 0.670 0.669 0.00 0.00 +0.150 HD ATOM 17 CA ASP A 4 8.190 0.299 -1.333 0.00 0.00 +0.169 C ATOM 18 C ASP A 4 7.149 -0.812 -1.052 0.00 0.00 +0.234 C ATOM 19 N GLY A 5 6.387 -0.641 0.085 0.00 0.00 -0.305 N ATOM 20 H GLY A 5 5.403 -0.700 -0.174 0.00 0.00 +0.149 HD ATOM 21 CA GLY A 5 6.638 -1.599 1.163 0.00 0.00 +0.200 C ATOM 22 C GLY A 5 5.505 -1.650 2.188 0.00 0.00 +0.231 C ATOM 23 N ARG A 6 4.200 -1.701 1.781 0.00 0.00 -0.303 N ATOM 24 H ARG A 6 3.659 -1.567 2.633 0.00 0.00 +0.149 HD ATOM 25 CA ARG A 6 3.548 -2.719 0.931 0.00 0.00 +0.159 C ATOM 26 C ARG A 6 2.760 -3.658 1.875 0.00 0.00 +0.234 C ATOM 27 N CYS A 7 1.459 -3.422 2.201 0.00 0.00 -0.302 N ATOM 28 H CYS A 7 1.196 -4.067 2.941 0.00 0.00 +0.150 HD ATOM 29 CA CYS A 7 0.567 -2.249 2.109 0.00 0.00 +0.169 C ATOM 30 CB CYS A 7 0.291 -1.719 0.702 0.00 0.00 +0.112 C ATOM 31 SG CYS A 7 -0.827 -0.282 0.536 0.00 0.00 -0.091 S ATOM 32 SG CYS A 1 -0.081 1.099 1.870 0.00 0.00 -0.091 S ATOM 33 C CYS A 7 -0.690 -2.629 2.937 0.00 0.00 +0.235 C ATOM 34 O CYS A 7 -0.817 -2.176 4.082 0.00 0.00 -0.274 OA ATOM 35 N TYR A 8 -1.595 -3.564 2.529 0.00 0.00 -0.302 N ATOM 36 H TYR A 8 -2.317 -3.740 3.228 0.00 0.00 +0.150 HD ATOM 37 CA TYR A 8 -1.917 -4.081 1.198 0.00 0.00 +0.163 C ATOM 38 C TYR A 8 -3.396 -4.508 1.128 0.00 0.00 +0.234 C ATOM 39 O TYR A 8 -4.023 -4.886 2.116 0.00 0.00 -0.274 OA ATOM 40 N LYS A 9 -3.981 -4.556 -0.116 0.00 0.00 -0.302 N ATOM 41 H LYS A 9 -4.892 -5.007 -0.032 0.00 0.00 +0.150 HD ATOM 42 CA LYS A 9 -4.081 -3.354 -0.963 0.00 0.00 +0.159 C ATOM 43 C LYS A 9 -5.483 -3.369 -1.604 0.00 0.00 +0.234 C ATOM 44 O LYS A 9 -6.030 -4.431 -1.916 0.00 0.00 -0.274 OA ATOM 45 N SER A 10 -6.136 -2.207 -1.900 0.00 0.00 -0.301 N ATOM 46 H SER A 10 -7.081 -2.469 -2.170 0.00 0.00 +0.150 HD ATOM 47 CA SER A 10 -6.101 -0.971 -1.084 0.00 0.00 +0.184 C ATOM 48 C SER A 10 -6.936 -1.259 0.184 0.00 0.00 +0.236 C ATOM 49 O SER A 10 -7.534 -2.336 0.321 0.00 0.00 -0.274 OA ATOM 50 N LYS A 11 -7.033 -0.404 1.223 0.00 0.00 -0.302 N ATOM 51 H LYS A 11 -7.495 -0.867 2.000 0.00 0.00 +0.150 HD ATOM 52 CA LYS A 11 -6.659 0.998 1.436 0.00 0.00 +0.159 C ATOM 53 C LYS A 11 -5.177 1.145 1.867 0.00 0.00 +0.237 C ATOM 54 O LYS A 11 -4.515 0.158 2.203 0.00 0.00 -0.274 OA ATOM 55 N PRO A 12 -4.610 2.409 1.859 0.00 0.00 -0.288 N ATOM 56 CA PRO A 12 -5.201 3.653 1.356 0.00 0.00 +0.162 C ATOM 57 CB PRO A 12 -4.442 4.781 2.062 0.00 0.00 +0.033 C ATOM 58 CG PRO A 12 -3.714 4.094 3.210 0.00 0.00 +0.021 C ATOM 59 C PRO A 12 -5.294 3.848 -0.176 0.00 0.00 +0.237 C ATOM 60 O PRO A 12 -6.291 4.461 -0.594 0.00 0.00 -0.274 OA ATOM 61 N PRO A 13 -4.347 3.417 -1.076 0.00 0.00 -0.288 N ATOM 62 CA PRO A 13 -3.038 2.741 -0.901 0.00 0.00 +0.162 C ATOM 63 CB PRO A 13 -2.936 1.933 -2.191 0.00 0.00 +0.033 C ATOM 64 CG PRO A 13 -3.521 2.870 -3.236 0.00 0.00 +0.021 C ATOM 65 C PRO A 13 -1.904 3.782 -0.639 0.00 0.00 +0.234 C ATOM 66 O PRO A 13 -2.139 4.887 -0.135 0.00 0.00 -0.274 OA ATOM 67 CD PRO A 13 -4.668 3.536 -2.494 0.00 0.00 +0.109 C ATOM 68 CD PRO A 12 -3.443 2.697 2.677 0.00 0.00 +0.109 C ATOM 69 O ARG A 6 3.306 -4.604 2.447 0.00 0.00 -0.274 OA ATOM 70 O GLY A 5 5.726 -1.627 3.401 0.00 0.00 -0.274 OA ATOM 71 O ASP A 4 6.926 -1.723 -1.844 0.00 0.00 -0.274 OA ATOM 72 O PRO A 3 7.516 2.537 1.336 0.00 0.00 -0.274 OA ATOM 73 CB PRO A 3 8.207 3.642 -1.953 0.00 0.00 +0.033 C ATOM 74 CG PRO A 3 8.559 5.031 -1.445 0.00 0.00 +0.021 C ATOM 75 CD PRO A 3 7.193 5.567 -1.070 0.00 0.00 +0.109 C ATOM 76 O PHE A 2 4.448 5.156 -1.223 0.00 0.00 -0.274 OA ATOM 77 O CYS A 1 4.062 0.713 -0.570 0.00 0.00 -0.274 OA ATOM 78 CB CYS A 1 1.681 1.312 1.442 0.00 0.00 +0.112 C ATOM 79 N ILE A 14 -0.573 3.476 -0.746 0.00 0.00 -0.302 N ATOM 80 H ILE A 14 -0.100 4.215 -0.244 0.00 0.00 +0.150 HD ENDROOT BRANCH 1 81 ATOM 81 CB ILE A 14 1.173 4.326 -2.349 0.00 0.00 +0.015 C ATOM 82 CG2 ILE A 14 1.934 4.028 -3.648 0.00 0.00 +0.010 C BRANCH 81 84 ATOM 83 CD1 ILE A 14 -0.478 6.027 -3.422 0.00 0.00 +0.004 C ATOM 84 CG1 ILE A 14 0.606 5.768 -2.383 0.00 0.00 +0.002 C ENDBRANCH 81 84 ENDBRANCH 1 81 BRANCH 10 85 ATOM 85 CB PHE A 2 4.973 4.459 2.177 0.00 0.00 +0.067 C BRANCH 85 86 ATOM 86 CG PHE A 2 4.927 5.964 2.341 0.00 0.00 -0.045 A ATOM 87 CD2 PHE A 2 3.769 6.707 2.074 0.00 0.00 +0.004 A ATOM 88 CE2 PHE A 2 3.765 8.097 2.230 0.00 0.00 +0.000 A ATOM 89 CZ PHE A 2 4.908 8.754 2.674 0.00 0.00 +0.000 A ATOM 90 CE1 PHE A 2 6.058 8.027 2.967 0.00 0.00 +0.000 A ATOM 91 CD1 PHE A 2 6.065 6.640 2.802 0.00 0.00 +0.004 A ENDBRANCH 85 86 ENDBRANCH 10 85 BRANCH 37 92 ATOM 92 CB TYR A 8 -1.016 -5.237 0.715 0.00 0.00 +0.067 C BRANCH 92 93 ATOM 93 CG TYR A 8 -1.092 -6.515 1.527 0.00 0.00 -0.045 A ATOM 94 CD2 TYR A 8 -0.189 -6.764 2.569 0.00 0.00 +0.007 A ATOM 95 CE2 TYR A 8 -0.266 -7.939 3.318 0.00 0.00 +0.045 A ATOM 96 CZ TYR A 8 -1.250 -8.873 3.029 0.00 0.00 +0.117 A ATOM 97 CE1 TYR A 8 -2.153 -8.658 1.997 0.00 0.00 +0.045 A ATOM 98 CD1 TYR A 8 -2.068 -7.483 1.243 0.00 0.00 +0.007 A BRANCH 96 99 ATOM 99 OH TYR A 8 -1.295 -10.002 3.792 0.00 0.00 -0.507 OA ATOM 100 HH TYR A 8 -2.109 -10.486 3.575 0.00 0.00 +0.292 HD ENDBRANCH 96 99 ENDBRANCH 92 93 ENDBRANCH 37 92 BRANCH 17 101 ATOM 101 CB ASP A 4 9.487 -0.317 -1.862 0.00 0.00 +0.152 C BRANCH 101 102 ATOM 102 CG ASP A 4 10.086 -1.282 -0.878 0.00 0.00 +0.307 C ATOM 103 OD1 ASP A 4 9.817 -1.369 0.307 0.00 0.00 -0.251 OA BRANCH 102 104 ATOM 104 OD2 ASP A 4 11.029 -2.061 -1.437 0.00 0.00 -0.481 OA ATOM 105 HD2 ASP A 4 11.357 -2.631 -0.709 0.00 0.00 +0.295 HD ENDBRANCH 102 104 ENDBRANCH 101 102 ENDBRANCH 17 101 BRANCH 42 106 ATOM 106 CB LYS A 9 -2.982 -3.229 -2.035 0.00 0.00 +0.032 C BRANCH 106 107 ATOM 107 CG LYS A 9 -3.110 -4.111 -3.287 0.00 0.00 +0.003 C BRANCH 107 108 ATOM 108 CD LYS A 9 -2.985 -5.614 -3.022 0.00 0.00 +0.015 C BRANCH 108 109 ATOM 109 CE LYS A 9 -3.077 -6.458 -4.298 0.00 0.00 +0.077 C BRANCH 109 110 ATOM 110 NZ LYS A 9 -4.359 -6.287 -4.969 0.00 0.00 -0.330 NA ATOM 111 HZ1 LYS A 9 -5.118 -6.438 -4.303 0.00 0.00 +0.118 HD ATOM 112 HZ2 LYS A 9 -4.462 -6.992 -5.696 0.00 0.00 +0.118 HD ENDBRANCH 109 110 ENDBRANCH 108 109 ENDBRANCH 107 108 ENDBRANCH 106 107 ENDBRANCH 42 106 BRANCH 47 113 ATOM 113 CB SER A 10 -6.639 0.183 -1.932 0.00 0.00 +0.187 C BRANCH 113 114 ATOM 114 OG SER A 10 -8.005 -0.001 -2.292 0.00 0.00 -0.393 OA ATOM 115 H SER A 10 -8.041 -0.663 -3.005 0.00 0.00 +0.209 HD ENDBRANCH 113 114 ENDBRANCH 47 113 BRANCH 25 116 ATOM 116 CB ARG A 6 4.412 -3.568 -0.014 0.00 0.00 +0.033 C BRANCH 116 117 ATOM 117 CG ARG A 6 3.547 -4.243 -1.101 0.00 0.00 +0.023 C BRANCH 117 118 ATOM 118 CD ARG A 6 4.057 -5.630 -1.491 0.00 0.00 +0.115 C BRANCH 118 119 ATOM 119 NE ARG A 6 3.812 -6.571 -0.413 0.00 0.00 -0.356 N ATOM 120 HE ARG A 6 4.569 -7.228 -0.269 0.00 0.00 +0.162 HD BRANCH 119 121 ATOM 121 CZ ARG A 6 2.597 -7.126 -0.200 0.00 0.00 +0.188 C ATOM 122 NH1 ARG A 6 1.525 -6.840 -0.845 0.00 0.00 -0.269 NA ATOM 123 HH1 ARG A 6 0.769 -7.431 -0.487 0.00 0.00 +0.190 HD BRANCH 121 124 ATOM 124 NH2 ARG A 6 2.638 -8.020 0.805 0.00 0.00 -0.370 N ATOM 125 HH21 ARG A 6 1.729 -8.277 1.171 0.00 0.00 +0.159 HD ATOM 126 HH22 ARG A 6 3.233 -7.697 1.563 0.00 0.00 +0.159 HD ENDBRANCH 121 124 ENDBRANCH 119 121 ENDBRANCH 118 119 ENDBRANCH 117 118 ENDBRANCH 116 117 ENDBRANCH 25 116 BRANCH 52 127 ATOM 127 CB LYS A 11 -7.633 1.567 2.500 0.00 0.00 +0.032 C BRANCH 127 128 ATOM 128 CG LYS A 11 -9.021 1.797 1.881 0.00 0.00 +0.003 C BRANCH 128 129 ATOM 129 CD LYS A 11 -10.042 2.285 2.911 0.00 0.00 +0.015 C BRANCH 129 130 ATOM 130 CE LYS A 11 -11.409 2.605 2.295 0.00 0.00 +0.077 C BRANCH 130 131 ATOM 131 NZ LYS A 11 -12.058 1.445 1.696 0.00 0.00 -0.330 NA ATOM 132 HZ1 LYS A 11 -12.084 0.672 2.359 0.00 0.00 +0.118 HD ATOM 133 HZ2 LYS A 11 -11.521 1.115 0.894 0.00 0.00 +0.118 HD ENDBRANCH 130 131 ENDBRANCH 129 130 ENDBRANCH 128 129 ENDBRANCH 127 128 ENDBRANCH 52 127 TORSDOF 28