REMARK Name = BDB055244 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA PRO A 1 -0.402 1.950 -3.124 0.00 0.00 +0.163 C ENDROOT BRANCH 1 4 ATOM 2 N PRO A 1 -0.369 2.999 -0.904 0.00 0.00 -0.302 N ATOM 3 H PRO A 1 0.528 2.530 -0.842 0.00 0.00 +0.150 HD ATOM 4 C PRO A 1 -1.105 2.798 -2.048 0.00 0.00 +0.234 C ATOM 5 O PRO A 1 -2.251 3.227 -2.174 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 CA PRO A 1 -0.892 3.617 0.322 0.00 0.00 +0.163 C BRANCH 6 9 ATOM 7 N PRO A 1 -2.949 2.249 0.300 0.00 0.00 -0.302 N ATOM 8 H PRO A 1 -2.966 2.516 -0.685 0.00 0.00 +0.150 HD ATOM 9 C PRO A 1 -1.849 2.638 1.028 0.00 0.00 +0.234 C ATOM 10 O PRO A 1 -1.645 2.253 2.177 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 CA PRO A 1 -3.766 1.097 0.669 0.00 0.00 +0.162 C BRANCH 11 12 ATOM 12 C PRO A 1 -3.108 -0.146 -0.003 0.00 0.00 +0.234 C ATOM 13 N PRO A 1 -3.381 -1.343 0.621 0.00 0.00 -0.302 N ATOM 14 H PRO A 1 -4.011 -1.357 1.414 0.00 0.00 +0.150 HD ATOM 15 O PRO A 1 -2.407 -0.081 -1.018 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 CA PRO A 1 -2.882 -2.618 0.113 0.00 0.00 +0.165 C BRANCH 16 17 ATOM 17 C PRO A 1 -3.720 -3.160 -1.060 0.00 0.00 +0.234 C ATOM 18 N LYS A 2 -3.005 -3.893 -1.979 0.00 0.00 -0.301 N ATOM 19 H LYS A 2 -2.009 -4.055 -1.840 0.00 0.00 +0.150 HD ATOM 20 O PRO A 1 -4.944 -3.041 -1.111 0.00 0.00 -0.274 OA BRANCH 18 21 ATOM 21 CA LYS A 2 -3.648 -4.763 -2.969 0.00 0.00 +0.182 C BRANCH 21 22 ATOM 22 C LYS A 2 -2.604 -5.751 -3.509 0.00 0.00 +0.325 C ATOM 23 O LYS A 2 -2.813 -6.716 -4.227 0.00 0.00 -0.249 OA BRANCH 22 24 ATOM 24 OXT LYS A 2 -1.340 -5.453 -3.119 0.00 0.00 -0.479 OA ATOM 25 HXT LYS A 2 -0.779 -6.134 -3.557 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 21 22 BRANCH 21 26 ATOM 26 CB LYS A 2 -4.274 -3.949 -4.109 0.00 0.00 +0.034 C BRANCH 26 27 ATOM 27 CG LYS A 2 -5.334 -4.751 -4.873 0.00 0.00 +0.004 C BRANCH 27 28 ATOM 28 CD LYS A 2 -6.068 -3.931 -5.939 0.00 0.00 +0.015 C BRANCH 28 29 ATOM 29 CE LYS A 2 -6.940 -2.784 -5.417 0.00 0.00 +0.077 C BRANCH 29 30 ATOM 30 NZ LYS A 2 -7.979 -3.224 -4.495 0.00 0.00 -0.330 NA ATOM 31 HZ1 LYS A 2 -8.504 -4.000 -4.896 0.00 0.00 +0.118 HD ATOM 32 HZ2 LYS A 2 -7.560 -3.575 -3.636 0.00 0.00 +0.118 HD ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 21 26 ENDBRANCH 18 21 ENDBRANCH 16 17 BRANCH 16 33 ATOM 33 CB PRO A 1 -2.811 -3.706 1.204 0.00 0.00 +0.086 C BRANCH 33 34 ATOM 34 CG PRO A 1 -4.065 -3.905 2.008 0.00 0.00 +0.038 A ATOM 35 ND1 PRO A 1 -5.345 -3.861 1.505 0.00 0.00 -0.348 N ATOM 36 HD1 PRO A 1 -5.624 -3.643 0.550 0.00 0.00 +0.166 HD ATOM 37 CE1 PRO A 1 -6.208 -4.074 2.542 0.00 0.00 +0.196 A ATOM 38 NE2 PRO A 1 -5.566 -4.278 3.667 0.00 0.00 -0.244 NA ATOM 39 CD2 PRO A 1 -4.236 -4.208 3.345 0.00 0.00 +0.133 A ENDBRANCH 33 34 ENDBRANCH 16 33 ENDBRANCH 13 16 ENDBRANCH 11 12 BRANCH 11 40 ATOM 40 CB PRO A 1 -5.231 1.306 0.207 0.00 0.00 +0.015 C ATOM 41 CG2 PRO A 1 -6.157 0.167 0.650 0.00 0.00 +0.010 C BRANCH 40 43 ATOM 42 CD1 PRO A 1 -5.830 2.888 2.169 0.00 0.00 +0.004 C ATOM 43 CG1 PRO A 1 -5.813 2.667 0.663 0.00 0.00 +0.002 C ENDBRANCH 40 43 ENDBRANCH 11 40 ENDBRANCH 7 11 ENDBRANCH 6 9 BRANCH 6 44 ATOM 44 CB PRO A 1 -1.531 5.003 0.156 0.00 0.00 +0.067 C BRANCH 44 45 ATOM 45 CG PRO A 1 -0.586 6.015 -0.452 0.00 0.00 -0.045 A ATOM 46 CD2 PRO A 1 -0.766 6.446 -1.775 0.00 0.00 +0.004 A ATOM 47 CE2 PRO A 1 0.111 7.371 -2.344 0.00 0.00 +0.000 A ATOM 48 CZ PRO A 1 1.178 7.868 -1.599 0.00 0.00 +0.000 A ATOM 49 CE1 PRO A 1 1.365 7.447 -0.284 0.00 0.00 +0.000 A ATOM 50 CD1 PRO A 1 0.485 6.529 0.290 0.00 0.00 +0.004 A ENDBRANCH 44 45 ENDBRANCH 6 44 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 51 ATOM 51 N PRO A 1 -0.121 0.618 -2.558 0.00 0.00 -0.302 N ATOM 52 H PRO A 1 -0.947 0.146 -2.172 0.00 0.00 +0.150 HD ATOM 53 C PRO A 1 1.063 0.347 -1.903 0.00 0.00 +0.234 C ATOM 54 O PRO A 1 1.871 1.254 -1.677 0.00 0.00 -0.274 OA BRANCH 53 55 ATOM 55 CA PRO A 1 1.229 -1.071 -1.289 0.00 0.00 +0.165 C BRANCH 55 56 ATOM 56 N PRO A 1 0.893 -0.910 0.136 0.00 0.00 -0.302 N ATOM 57 H PRO A 1 1.322 -0.094 0.563 0.00 0.00 +0.150 HD ATOM 58 C PRO A 1 0.656 -1.946 1.020 0.00 0.00 +0.234 C ATOM 59 O PRO A 1 0.333 -3.078 0.672 0.00 0.00 -0.274 OA BRANCH 58 60 ATOM 60 CA PRO A 1 0.780 -1.567 2.512 0.00 0.00 +0.163 C BRANCH 60 61 ATOM 61 N PRO A 1 2.164 -1.133 2.720 0.00 0.00 -0.302 N ATOM 62 H PRO A 1 2.766 -1.024 1.902 0.00 0.00 +0.150 HD ATOM 63 C PRO A 1 2.847 -1.384 3.889 0.00 0.00 +0.234 C ATOM 64 O PRO A 1 2.325 -1.946 4.848 0.00 0.00 -0.274 OA BRANCH 63 65 ATOM 65 CA PRO A 1 4.363 -1.052 3.827 0.00 0.00 +0.162 C ATOM 66 N PRO A 1 4.664 0.259 3.223 0.00 0.00 -0.288 N ATOM 67 C PRO A 1 4.677 0.447 1.852 0.00 0.00 +0.237 C ATOM 68 O PRO A 1 4.174 -0.419 1.123 0.00 0.00 -0.274 OA ATOM 69 CD PRO A 1 5.114 1.199 4.240 0.00 0.00 +0.109 C ATOM 70 CG PRO A 1 4.783 0.527 5.562 0.00 0.00 +0.021 C ATOM 71 CB PRO A 1 4.966 -0.950 5.231 0.00 0.00 +0.033 C BRANCH 67 72 ATOM 72 CA PRO A 1 5.098 1.834 1.283 0.00 0.00 +0.165 C BRANCH 72 73 ATOM 73 N PRO A 1 6.335 2.386 1.837 0.00 0.00 -0.302 N ATOM 74 H PRO A 1 6.405 3.400 1.911 0.00 0.00 +0.150 HD ATOM 75 C PRO A 1 7.547 1.752 1.646 0.00 0.00 +0.231 C ATOM 76 O PRO A 1 7.641 0.601 1.232 0.00 0.00 -0.274 OA BRANCH 75 77 ATOM 77 CA PRO A 1 8.763 2.636 1.974 0.00 0.00 +0.140 C ATOM 78 N PRO A 1 8.392 3.740 2.905 0.00 0.00 -0.306 NA ATOM 79 H PRO A 1 7.765 3.344 3.612 0.00 0.00 +0.123 HD ATOM 80 CD PRO A 1 9.655 4.069 3.581 0.00 0.00 +0.081 C ATOM 81 CG PRO A 1 10.263 2.712 3.869 0.00 0.00 +0.017 C ATOM 82 CB PRO A 1 9.898 1.873 2.654 0.00 0.00 +0.029 C ENDBRANCH 75 77 ENDBRANCH 72 73 BRANCH 72 83 ATOM 83 CB PRO A 1 5.101 1.837 -0.264 0.00 0.00 +0.086 C BRANCH 83 84 ATOM 84 CG PRO A 1 4.819 3.197 -0.816 0.00 0.00 +0.038 A ATOM 85 ND1 PRO A 1 3.664 3.482 -1.505 0.00 0.00 -0.348 N ATOM 86 HD1 PRO A 1 2.933 2.818 -1.742 0.00 0.00 +0.166 HD ATOM 87 CE1 PRO A 1 3.699 4.804 -1.836 0.00 0.00 +0.196 A ATOM 88 NE2 PRO A 1 4.807 5.375 -1.422 0.00 0.00 -0.244 NA ATOM 89 CD2 PRO A 1 5.523 4.381 -0.811 0.00 0.00 +0.133 A ENDBRANCH 83 84 ENDBRANCH 72 83 ENDBRANCH 67 72 ENDBRANCH 63 65 ENDBRANCH 60 61 BRANCH 60 90 ATOM 90 CB PRO A 1 -0.234 -0.469 2.863 0.00 0.00 +0.067 C BRANCH 90 91 ATOM 91 CG PRO A 1 -0.699 -0.480 4.298 0.00 0.00 -0.045 A ATOM 92 CD2 PRO A 1 -1.664 -1.403 4.723 0.00 0.00 +0.004 A ATOM 93 CE2 PRO A 1 -2.112 -1.407 6.042 0.00 0.00 +0.000 A ATOM 94 CZ PRO A 1 -1.601 -0.486 6.954 0.00 0.00 +0.000 A ATOM 95 CE1 PRO A 1 -0.639 0.435 6.546 0.00 0.00 +0.000 A ATOM 96 CD1 PRO A 1 -0.188 0.439 5.224 0.00 0.00 +0.004 A ENDBRANCH 90 91 ENDBRANCH 60 90 ENDBRANCH 58 60 ENDBRANCH 55 56 BRANCH 55 97 ATOM 97 CB PRO A 1 0.506 -2.169 -2.094 0.00 0.00 +0.086 C BRANCH 97 98 ATOM 98 CG PRO A 1 1.227 -2.510 -3.358 0.00 0.00 +0.038 A ATOM 99 ND1 PRO A 1 1.004 -1.900 -4.569 0.00 0.00 -0.348 N ATOM 100 HD1 PRO A 1 0.351 -1.153 -4.767 0.00 0.00 +0.166 HD ATOM 101 CE1 PRO A 1 1.842 -2.480 -5.479 0.00 0.00 +0.196 A ATOM 102 NE2 PRO A 1 2.574 -3.422 -4.933 0.00 0.00 -0.244 NA ATOM 103 CD2 PRO A 1 2.205 -3.448 -3.616 0.00 0.00 +0.133 A ENDBRANCH 97 98 ENDBRANCH 55 97 ENDBRANCH 53 55 ENDBRANCH 1 51 BRANCH 1 104 ATOM 104 CB PRO A 1 -1.317 1.862 -4.358 0.00 0.00 +0.067 C BRANCH 104 105 ATOM 105 CG PRO A 1 -0.739 1.158 -5.565 0.00 0.00 -0.045 A ATOM 106 CD2 PRO A 1 -1.524 0.227 -6.263 0.00 0.00 +0.004 A ATOM 107 CE2 PRO A 1 -1.046 -0.385 -7.424 0.00 0.00 +0.000 A ATOM 108 CZ PRO A 1 0.222 -0.068 -7.904 0.00 0.00 +0.000 A ATOM 109 CE1 PRO A 1 1.010 0.861 -7.227 0.00 0.00 +0.000 A ATOM 110 CD1 PRO A 1 0.530 1.476 -6.068 0.00 0.00 +0.004 A ENDBRANCH 104 105 ENDBRANCH 1 104 TORSDOF 38