REMARK Name = BDB046858 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 10 -0.877 -5.037 0.088 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 10 -1.518 -4.541 1.431 0.00 0.00 +0.237 C ATOM 3 N PRO A 11 -0.657 -4.040 2.384 0.00 0.00 -0.288 N ATOM 4 CA PRO A 11 -1.214 -3.493 3.629 0.00 0.00 +0.162 C ATOM 5 CB PRO A 11 -0.027 -2.705 4.224 0.00 0.00 +0.033 C ATOM 6 CG PRO A 11 0.666 -2.162 3.005 0.00 0.00 +0.021 C ATOM 7 CD PRO A 11 0.552 -3.325 2.021 0.00 0.00 +0.109 C ATOM 8 O UNK A 10 -2.713 -4.744 1.682 0.00 0.00 -0.274 OA BRANCH 4 9 ATOM 9 C PRO A 11 -1.810 -4.407 4.744 0.00 0.00 +0.234 C ATOM 10 N ASN A 12 -2.724 -5.348 4.325 0.00 0.00 -0.302 N ATOM 11 H ASN A 12 -2.802 -5.527 3.319 0.00 0.00 +0.150 HD ATOM 12 O PRO A 11 -1.613 -4.135 5.938 0.00 0.00 -0.274 OA BRANCH 10 13 ATOM 13 CA ASN A 12 -3.740 -5.876 5.191 0.00 0.00 +0.168 C BRANCH 13 14 ATOM 14 C ASN A 12 -3.178 -6.948 6.200 0.00 0.00 +0.234 C ATOM 15 N TYR A 13 -3.074 -8.244 5.697 0.00 0.00 -0.302 N ATOM 16 H TYR A 13 -3.429 -8.421 4.751 0.00 0.00 +0.150 HD ATOM 17 O ASN A 12 -2.804 -6.646 7.339 0.00 0.00 -0.274 OA BRANCH 15 18 ATOM 18 CA TYR A 13 -2.630 -9.359 6.502 0.00 0.00 +0.163 C BRANCH 18 19 ATOM 19 C TYR A 13 -2.009 -10.457 5.572 0.00 0.00 +0.234 C ATOM 20 N UNK A 14 -2.462 -11.742 5.654 0.00 0.00 -0.301 N ATOM 21 H UNK A 14 -2.676 -12.118 6.576 0.00 0.00 +0.150 HD ATOM 22 O TYR A 13 -1.188 -10.156 4.707 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C UNK A 14 -2.140 -12.717 4.612 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C UNK A 14 -0.785 -13.446 4.779 0.00 0.00 +0.236 C ATOM 25 N UNK A 14 0.303 -12.615 4.837 0.00 0.00 -0.302 N ATOM 26 H UNK A 14 0.104 -11.621 4.921 0.00 0.00 +0.150 HD ATOM 27 O UNK A 14 -0.703 -14.688 4.765 0.00 0.00 -0.274 OA BRANCH 25 28 ATOM 28 C UNK A 14 1.598 -13.118 5.264 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C UNK A 14 1.809 -12.723 6.768 0.00 0.00 +0.231 C ATOM 30 O UNK A 14 2.493 -13.421 7.541 0.00 0.00 -0.274 OA ATOM 31 N UNK A 14 1.266 -11.555 7.197 0.00 0.00 -0.328 N ATOM 32 H UNK A 14 1.623 -11.309 8.110 0.00 0.00 +0.145 HD ATOM 33 H UNK A 14 1.312 -10.759 6.543 0.00 0.00 +0.145 HD ENDBRANCH 28 29 BRANCH 28 34 ATOM 34 C UNK A 14 2.725 -12.540 4.422 0.00 0.00 +0.041 C BRANCH 34 35 ATOM 35 C UNK A 14 4.079 -13.154 4.820 0.00 0.00 +0.098 C BRANCH 35 36 ATOM 36 C UNK A 14 5.121 -12.986 3.732 0.00 0.00 +0.211 C ATOM 37 O UNK A 14 5.381 -13.892 2.926 0.00 0.00 -0.276 OA ATOM 38 N UNK A 14 5.723 -11.774 3.678 0.00 0.00 -0.329 N ATOM 39 H UNK A 14 6.512 -11.806 3.042 0.00 0.00 +0.145 HD ATOM 40 H UNK A 14 5.136 -10.996 3.331 0.00 0.00 +0.145 HD ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 28 34 ENDBRANCH 25 28 ENDBRANCH 23 24 BRANCH 23 41 ATOM 41 C UNK A 14 -3.324 -13.715 4.447 0.00 0.00 +0.187 C BRANCH 41 42 ATOM 42 O UNK A 14 -4.158 -13.323 3.328 0.00 0.00 -0.393 OA ATOM 43 H UNK A 14 -3.618 -13.462 2.519 0.00 0.00 +0.209 HD ENDBRANCH 41 42 ENDBRANCH 23 41 ENDBRANCH 20 23 ENDBRANCH 18 19 BRANCH 18 44 ATOM 44 CB TYR A 13 -3.685 -9.850 7.516 0.00 0.00 +0.067 C BRANCH 44 45 ATOM 45 CG TYR A 13 -3.146 -9.708 8.923 0.00 0.00 -0.045 A ATOM 46 CD2 TYR A 13 -3.562 -8.594 9.694 0.00 0.00 +0.007 A ATOM 47 CE2 TYR A 13 -2.947 -8.342 10.919 0.00 0.00 +0.045 A ATOM 48 CZ TYR A 13 -2.026 -9.223 11.434 0.00 0.00 +0.117 A ATOM 49 CE1 TYR A 13 -1.598 -10.324 10.692 0.00 0.00 +0.045 A ATOM 50 CD1 TYR A 13 -2.212 -10.598 9.451 0.00 0.00 +0.007 A BRANCH 48 51 ATOM 51 OH TYR A 13 -1.478 -9.050 12.658 0.00 0.00 -0.507 OA ATOM 52 HH TYR A 13 -1.492 -8.084 12.822 0.00 0.00 +0.292 HD ENDBRANCH 48 51 ENDBRANCH 44 45 ENDBRANCH 18 44 ENDBRANCH 15 18 ENDBRANCH 13 14 BRANCH 13 53 ATOM 53 CB ASN A 12 -4.498 -4.782 5.960 0.00 0.00 +0.127 C BRANCH 53 54 ATOM 54 CG ASN A 12 -5.960 -5.068 5.850 0.00 0.00 +0.213 C ATOM 55 OD1 ASN A 12 -6.612 -5.748 6.620 0.00 0.00 -0.276 OA ATOM 56 ND2 ASN A 12 -6.586 -4.464 4.764 0.00 0.00 -0.329 N ATOM 57 HD21 ASN A 12 -6.034 -3.937 4.009 0.00 0.00 +0.145 HD ATOM 58 HD22 ASN A 12 -7.544 -4.817 4.583 0.00 0.00 +0.145 HD ENDBRANCH 53 54 ENDBRANCH 13 53 ENDBRANCH 10 13 ENDBRANCH 4 9 ENDBRANCH 1 2 BRANCH 1 60 ATOM 59 C ARG A 9 -1.198 -7.484 0.464 0.00 0.00 +0.234 C ATOM 60 N UNK A 10 -0.372 -6.397 0.206 0.00 0.00 -0.302 N ATOM 61 H UNK A 10 0.635 -6.502 0.198 0.00 0.00 +0.150 HD ATOM 62 O ARG A 9 -2.415 -7.401 0.571 0.00 0.00 -0.274 OA BRANCH 59 63 ATOM 63 CA ARG A 9 -0.419 -8.802 0.708 0.00 0.00 +0.159 C BRANCH 63 65 ATOM 64 C ASN A 8 -1.924 -10.820 0.239 0.00 0.00 +0.234 C ATOM 65 N ARG A 9 -1.247 -9.943 1.034 0.00 0.00 -0.302 N ATOM 66 H ARG A 9 -1.366 -10.178 2.039 0.00 0.00 +0.150 HD ATOM 67 O ASN A 8 -2.336 -11.867 0.752 0.00 0.00 -0.274 OA BRANCH 64 68 ATOM 68 CA ASN A 8 -2.319 -10.472 -1.288 0.00 0.00 +0.168 C BRANCH 68 70 ATOM 69 C PRO A 7 -0.190 -10.162 -2.409 0.00 0.00 +0.234 C ATOM 70 N ASN A 8 -1.396 -9.644 -2.033 0.00 0.00 -0.302 N ATOM 71 H ASN A 8 -1.696 -8.727 -2.369 0.00 0.00 +0.150 HD ATOM 72 O PRO A 7 0.179 -11.291 -2.079 0.00 0.00 -0.274 OA BRANCH 69 75 ATOM 73 C ASP A 6 2.991 -9.872 -2.531 0.00 0.00 +0.237 C ATOM 74 N PRO A 7 2.035 -9.813 -3.530 0.00 0.00 -0.288 N ATOM 75 CA PRO A 7 0.684 -9.262 -3.368 0.00 0.00 +0.162 C ATOM 76 CB PRO A 7 0.123 -9.310 -4.764 0.00 0.00 +0.033 C ATOM 77 CG PRO A 7 0.607 -10.670 -5.256 0.00 0.00 +0.021 C ATOM 78 CD PRO A 7 1.960 -10.865 -4.542 0.00 0.00 +0.109 C ATOM 79 O ASP A 6 3.603 -10.931 -2.244 0.00 0.00 -0.274 OA BRANCH 73 80 ATOM 80 CA ASP A 6 3.148 -8.655 -1.521 0.00 0.00 +0.170 C BRANCH 80 82 ATOM 81 C SER A 5 3.916 -6.696 -2.877 0.00 0.00 +0.236 C ATOM 82 N ASP A 6 2.967 -7.302 -2.092 0.00 0.00 -0.302 N ATOM 83 H ASP A 6 2.129 -6.774 -1.915 0.00 0.00 +0.150 HD ATOM 84 O SER A 5 4.860 -7.313 -3.346 0.00 0.00 -0.274 OA BRANCH 81 85 ATOM 85 CA SER A 5 3.730 -5.118 -3.043 0.00 0.00 +0.184 C BRANCH 85 87 ATOM 86 C PRO A 4 5.247 -3.440 -4.226 0.00 0.00 +0.234 C ATOM 87 N SER A 5 5.054 -4.561 -3.472 0.00 0.00 -0.301 N ATOM 88 H SER A 5 5.601 -5.325 -3.905 0.00 0.00 +0.150 HD ATOM 89 O PRO A 4 5.236 -3.539 -5.471 0.00 0.00 -0.274 OA BRANCH 86 92 ATOM 90 C LYS A 3 5.747 -0.220 -5.333 0.00 0.00 +0.237 C ATOM 91 N PRO A 4 6.164 -1.166 -4.409 0.00 0.00 -0.288 N ATOM 92 CA PRO A 4 5.396 -2.072 -3.511 0.00 0.00 +0.162 C ATOM 93 CB PRO A 4 6.346 -2.174 -2.322 0.00 0.00 +0.033 C ATOM 94 CG PRO A 4 7.715 -2.262 -2.985 0.00 0.00 +0.021 C ATOM 95 CD PRO A 4 7.579 -1.356 -4.216 0.00 0.00 +0.109 C ATOM 96 O LYS A 3 6.557 0.433 -6.008 0.00 0.00 -0.274 OA BRANCH 90 97 ATOM 97 CA LYS A 3 4.213 0.094 -5.503 0.00 0.00 +0.159 C BRANCH 97 99 ATOM 98 C ARG A 2 4.312 2.039 -3.952 0.00 0.00 +0.234 C ATOM 99 N LYS A 3 3.958 1.508 -5.169 0.00 0.00 -0.302 N ATOM 100 H LYS A 3 3.165 1.948 -5.647 0.00 0.00 +0.150 HD ATOM 101 O ARG A 2 5.136 1.521 -3.208 0.00 0.00 -0.274 OA BRANCH 98 102 ATOM 102 CA ARG A 2 3.646 3.426 -3.612 0.00 0.00 +0.159 C BRANCH 102 104 ATOM 103 C UNK A 1 4.350 5.715 -2.967 0.00 0.00 +0.234 C ATOM 104 N ARG A 2 4.645 4.408 -3.274 0.00 0.00 -0.302 N ATOM 105 H ARG A 2 5.596 4.133 -3.519 0.00 0.00 +0.150 HD ATOM 106 O UNK A 1 3.170 6.171 -2.995 0.00 0.00 -0.274 OA BRANCH 103 107 ATOM 107 C UNK A 1 5.524 6.703 -2.863 0.00 0.00 +0.161 C BRANCH 107 109 ATOM 108 C UNK A 1 4.294 8.711 -1.927 0.00 0.00 +0.234 C ATOM 109 N UNK A 1 5.014 8.120 -2.939 0.00 0.00 -0.302 N ATOM 110 H UNK A 1 4.622 8.350 -3.845 0.00 0.00 +0.150 HD ATOM 111 O UNK A 1 4.583 8.560 -0.727 0.00 0.00 -0.274 OA BRANCH 108 112 ATOM 112 C UNK A 1 3.311 9.806 -2.471 0.00 0.00 +0.159 C BRANCH 112 113 ATOM 113 N UNK A 1 2.492 9.244 -3.545 0.00 0.00 -0.302 N ATOM 114 H UNK A 1 1.931 8.414 -3.313 0.00 0.00 +0.150 HD ATOM 115 C UNK A 1 2.760 9.520 -4.855 0.00 0.00 +0.234 C ATOM 116 O UNK A 1 3.606 10.360 -5.168 0.00 0.00 -0.274 OA BRANCH 115 117 ATOM 117 C UNK A 1 1.856 8.857 -5.938 0.00 0.00 +0.159 C BRANCH 117 118 ATOM 118 N UNK A 1 1.051 9.927 -6.451 0.00 0.00 -0.302 N ATOM 119 H UNK A 1 1.505 10.852 -6.425 0.00 0.00 +0.150 HD ATOM 120 C UNK A 1 0.255 9.852 -7.554 0.00 0.00 +0.236 C ATOM 121 O UNK A 1 0.201 10.798 -8.335 0.00 0.00 -0.274 OA BRANCH 120 122 ATOM 122 C UNK A 1 -0.562 8.569 -7.845 0.00 0.00 +0.184 C BRANCH 122 123 ATOM 123 N UNK A 1 -0.297 8.198 -9.280 0.00 0.00 -0.301 N ATOM 124 H UNK A 1 0.032 9.053 -9.775 0.00 0.00 +0.150 HD ATOM 125 C UNK A 1 -1.297 7.645 -10.055 0.00 0.00 +0.234 C ATOM 126 O UNK A 1 -2.193 8.369 -10.500 0.00 0.00 -0.274 OA BRANCH 125 127 ATOM 127 C UNK A 1 -1.356 6.075 -10.071 0.00 0.00 +0.159 C BRANCH 127 128 ATOM 128 N UNK A 1 -2.279 5.644 -11.144 0.00 0.00 -0.303 N ATOM 129 H UNK A 1 -1.873 5.367 -12.036 0.00 0.00 +0.149 HD ATOM 130 C UNK A 1 -3.625 5.509 -11.188 0.00 0.00 +0.231 C ATOM 131 O UNK A 1 -4.152 5.278 -12.289 0.00 0.00 -0.274 OA BRANCH 130 132 ATOM 132 C UNK A 1 -4.476 5.820 -9.925 0.00 0.00 +0.140 C ATOM 133 N UNK A 1 -5.463 4.730 -9.755 0.00 0.00 -0.306 NA ATOM 134 H UNK A 1 -5.217 4.054 -9.037 0.00 0.00 +0.123 HD ATOM 135 C UNK A 1 -6.772 5.312 -9.524 0.00 0.00 +0.081 C ATOM 136 C UNK A 1 -6.738 6.633 -10.272 0.00 0.00 +0.017 C ATOM 137 C UNK A 1 -5.300 7.095 -10.123 0.00 0.00 +0.029 C ENDBRANCH 130 132 ENDBRANCH 127 128 BRANCH 127 138 ATOM 138 C UNK A 1 0.026 5.420 -10.257 0.00 0.00 +0.033 C BRANCH 138 139 ATOM 139 C UNK A 1 0.808 5.945 -11.442 0.00 0.00 +0.023 C BRANCH 139 140 ATOM 140 C UNK A 1 2.051 5.092 -11.718 0.00 0.00 +0.115 C BRANCH 140 141 ATOM 141 N UNK A 1 2.996 5.051 -10.598 0.00 0.00 -0.356 N ATOM 142 H UNK A 1 2.546 4.656 -9.755 0.00 0.00 +0.162 HD BRANCH 141 143 ATOM 143 C UNK A 1 4.167 4.371 -10.752 0.00 0.00 +0.188 C ATOM 144 N UNK A 1 4.740 4.111 -11.865 0.00 0.00 -0.269 NA ATOM 145 H UNK A 1 5.581 3.538 -11.716 0.00 0.00 +0.190 HD BRANCH 143 146 ATOM 146 N UNK A 1 4.528 3.805 -9.561 0.00 0.00 -0.370 N ATOM 147 H UNK A 1 5.023 2.921 -9.711 0.00 0.00 +0.159 HD ATOM 148 H UNK A 1 5.218 4.425 -9.122 0.00 0.00 +0.159 HD ENDBRANCH 143 146 ENDBRANCH 141 143 ENDBRANCH 140 141 ENDBRANCH 139 140 ENDBRANCH 138 139 ENDBRANCH 127 138 ENDBRANCH 125 127 ENDBRANCH 122 123 BRANCH 122 149 ATOM 149 C UNK A 1 -2.026 8.911 -7.540 0.00 0.00 +0.187 C BRANCH 149 150 ATOM 150 O UNK A 1 -2.197 9.202 -6.157 0.00 0.00 -0.393 OA ATOM 151 H UNK A 1 -2.949 9.842 -6.127 0.00 0.00 +0.209 HD ENDBRANCH 149 150 ENDBRANCH 122 149 ENDBRANCH 120 122 ENDBRANCH 117 118 BRANCH 117 152 ATOM 152 C UNK A 1 2.778 8.386 -7.087 0.00 0.00 +0.033 C BRANCH 152 153 ATOM 153 C UNK A 1 3.986 7.532 -6.692 0.00 0.00 +0.019 C BRANCH 153 154 ATOM 154 C UNK A 1 4.947 7.458 -7.856 0.00 0.00 +0.098 C BRANCH 154 155 ATOM 155 N UNK A 1 6.173 6.765 -7.478 0.00 0.00 -0.259 NA ATOM 156 H UNK A 1 6.043 5.969 -6.877 0.00 0.00 +0.140 HD BRANCH 155 157 ATOM 157 N UNK A 1 7.097 7.715 -6.894 0.00 0.00 -0.270 NA ATOM 158 H UNK A 1 8.074 7.467 -7.060 0.00 0.00 +0.137 HD ATOM 159 H UNK A 1 6.987 7.826 -5.878 0.00 0.00 +0.137 HD ENDBRANCH 155 157 ENDBRANCH 154 155 ENDBRANCH 153 154 ENDBRANCH 152 153 ENDBRANCH 117 152 ENDBRANCH 115 117 ENDBRANCH 112 113 BRANCH 112 160 ATOM 160 C UNK A 1 2.484 10.412 -1.335 0.00 0.00 +0.034 C BRANCH 160 162 ATOM 161 C UNK A 1 0.550 11.891 -0.604 0.00 0.00 +0.007 C ATOM 162 C UNK A 1 1.402 11.407 -1.792 0.00 0.00 -0.015 C ATOM 163 C UNK A 1 2.004 12.622 -2.509 0.00 0.00 +0.007 C ENDBRANCH 160 162 ENDBRANCH 112 160 ENDBRANCH 108 112 ENDBRANCH 107 109 BRANCH 107 164 ATOM 164 C UNK A 1 6.585 6.537 -1.721 0.00 0.00 +0.012 C ATOM 165 C UNK A 1 7.157 5.076 -1.618 0.00 0.00 +0.009 C ATOM 166 C UNK A 1 7.730 7.560 -1.931 0.00 0.00 +0.009 C ENDBRANCH 107 164 ENDBRANCH 103 107 ENDBRANCH 102 104 BRANCH 102 167 ATOM 167 CB ARG A 2 2.615 3.131 -2.485 0.00 0.00 +0.033 C BRANCH 167 168 ATOM 168 CG ARG A 2 1.865 1.808 -2.685 0.00 0.00 +0.023 C BRANCH 168 169 ATOM 169 CD ARG A 2 0.514 1.789 -1.987 0.00 0.00 +0.115 C BRANCH 169 170 ATOM 170 NE ARG A 2 -0.552 1.979 -2.984 0.00 0.00 -0.356 N ATOM 171 HE ARG A 2 -0.324 2.630 -3.717 0.00 0.00 +0.162 HD BRANCH 170 172 ATOM 172 CZ ARG A 2 -1.860 1.654 -2.787 0.00 0.00 +0.188 C ATOM 173 NH1 ARG A 2 -2.264 0.949 -1.795 0.00 0.00 -0.269 NA ATOM 174 HH1 ARG A 2 -3.267 0.826 -1.845 0.00 0.00 +0.190 HD BRANCH 172 175 ATOM 175 NH2 ARG A 2 -2.668 2.164 -3.725 0.00 0.00 -0.370 N ATOM 176 HH21 ARG A 2 -3.637 2.161 -3.456 0.00 0.00 +0.159 HD ATOM 177 HH22 ARG A 2 -2.428 3.137 -3.948 0.00 0.00 +0.159 HD ENDBRANCH 172 175 ENDBRANCH 170 172 ENDBRANCH 169 170 ENDBRANCH 168 169 ENDBRANCH 167 168 ENDBRANCH 102 167 ENDBRANCH 98 102 ENDBRANCH 97 99 BRANCH 97 178 ATOM 178 CB LYS A 3 3.834 -0.103 -6.983 0.00 0.00 +0.032 C BRANCH 178 179 ATOM 179 CG LYS A 3 3.396 -1.531 -7.290 0.00 0.00 +0.003 C BRANCH 179 180 ATOM 180 CD LYS A 3 3.328 -1.782 -8.791 0.00 0.00 +0.015 C BRANCH 180 181 ATOM 181 CE LYS A 3 2.710 -3.144 -9.144 0.00 0.00 +0.077 C BRANCH 181 182 ATOM 182 NZ LYS A 3 3.518 -4.228 -8.594 0.00 0.00 -0.330 NA ATOM 183 HZ1 LYS A 3 2.973 -5.109 -8.563 0.00 0.00 +0.118 HD ATOM 184 HZ2 LYS A 3 4.370 -4.377 -9.132 0.00 0.00 +0.118 HD ENDBRANCH 181 182 ENDBRANCH 180 181 ENDBRANCH 179 180 ENDBRANCH 178 179 ENDBRANCH 97 178 ENDBRANCH 90 97 ENDBRANCH 86 92 ENDBRANCH 85 87 BRANCH 85 185 ATOM 185 CB SER A 5 2.611 -4.856 -4.086 0.00 0.00 +0.187 C BRANCH 185 186 ATOM 186 OG SER A 5 3.021 -5.233 -5.438 0.00 0.00 -0.393 OA ATOM 187 H SER A 5 3.553 -4.486 -5.740 0.00 0.00 +0.209 HD ENDBRANCH 185 186 ENDBRANCH 85 185 ENDBRANCH 81 85 ENDBRANCH 80 82 BRANCH 80 188 ATOM 188 CB ASP A 6 4.396 -8.803 -0.642 0.00 0.00 +0.152 C BRANCH 188 189 ATOM 189 CG ASP A 6 4.137 -8.606 0.814 0.00 0.00 +0.307 C ATOM 190 OD1 ASP A 6 4.375 -9.398 1.716 0.00 0.00 -0.251 OA BRANCH 189 191 ATOM 191 OD2 ASP A 6 3.698 -7.370 1.092 0.00 0.00 -0.481 OA ATOM 192 HD2 ASP A 6 3.780 -7.309 2.087 0.00 0.00 +0.295 HD ENDBRANCH 189 191 ENDBRANCH 188 189 ENDBRANCH 80 188 ENDBRANCH 73 80 ENDBRANCH 69 75 ENDBRANCH 68 70 BRANCH 68 193 ATOM 193 CB ASN A 8 -3.750 -9.887 -1.310 0.00 0.00 +0.127 C BRANCH 193 194 ATOM 194 CG ASN A 8 -4.451 -10.157 -2.622 0.00 0.00 +0.213 C ATOM 195 OD1 ASN A 8 -4.354 -11.193 -3.255 0.00 0.00 -0.276 OA ATOM 196 ND2 ASN A 8 -5.154 -9.071 -3.125 0.00 0.00 -0.329 N ATOM 197 HD21 ASN A 8 -4.521 -8.244 -3.244 0.00 0.00 +0.145 HD ATOM 198 HD22 ASN A 8 -5.504 -9.249 -4.064 0.00 0.00 +0.145 HD ENDBRANCH 193 194 ENDBRANCH 68 193 ENDBRANCH 64 68 ENDBRANCH 63 65 BRANCH 63 199 ATOM 199 CB ARG A 9 0.792 -8.671 1.628 0.00 0.00 +0.033 C BRANCH 199 200 ATOM 200 CG ARG A 9 0.499 -8.198 3.033 0.00 0.00 +0.023 C BRANCH 200 201 ATOM 201 CD ARG A 9 1.660 -8.495 3.988 0.00 0.00 +0.115 C BRANCH 201 202 ATOM 202 NE ARG A 9 2.191 -7.283 4.613 0.00 0.00 -0.356 N ATOM 203 HE ARG A 9 2.354 -6.531 3.977 0.00 0.00 +0.162 HD BRANCH 202 204 ATOM 204 CZ ARG A 9 1.682 -6.867 5.811 0.00 0.00 +0.188 C ATOM 205 NH1 ARG A 9 0.798 -7.489 6.486 0.00 0.00 -0.269 NA ATOM 206 HH1 ARG A 9 0.477 -6.901 7.274 0.00 0.00 +0.190 HD BRANCH 204 207 ATOM 207 NH2 ARG A 9 2.246 -5.686 6.125 0.00 0.00 -0.370 N ATOM 208 HH21 ARG A 9 3.259 -5.786 6.228 0.00 0.00 +0.159 HD ATOM 209 HH22 ARG A 9 1.867 -5.281 6.962 0.00 0.00 +0.159 HD ENDBRANCH 204 207 ENDBRANCH 202 204 ENDBRANCH 201 202 ENDBRANCH 200 201 ENDBRANCH 199 200 ENDBRANCH 63 199 ENDBRANCH 59 63 ENDBRANCH 1 60 BRANCH 1 210 ATOM 210 C UNK A 10 -1.837 -4.792 -1.071 0.00 0.00 +0.032 C BRANCH 210 211 ATOM 211 C UNK A 10 -1.779 -3.307 -1.460 0.00 0.00 +0.004 C BRANCH 211 212 ATOM 212 C UNK A 10 -2.720 -2.917 -2.586 0.00 0.00 +0.019 C BRANCH 212 213 ATOM 213 C UNK A 10 -4.178 -3.139 -2.236 0.00 0.00 +0.104 C BRANCH 213 214 ATOM 214 N UNK A 10 -4.720 -2.288 -1.204 0.00 0.00 -0.314 N ATOM 215 H UNK A 10 -4.091 -1.813 -0.545 0.00 0.00 +0.149 HD ATOM 216 C UNK A 10 -5.938 -2.616 -0.676 0.00 0.00 +0.233 C ATOM 217 O UNK A 10 -6.608 -3.540 -1.153 0.00 0.00 -0.274 OA BRANCH 216 218 ATOM 218 C UNK A 10 -6.626 -1.568 0.273 0.00 0.00 +0.159 C BRANCH 218 219 ATOM 219 N UNK A 10 -5.755 -0.900 1.226 0.00 0.00 -0.302 N ATOM 220 H UNK A 10 -5.950 0.111 1.320 0.00 0.00 +0.150 HD ATOM 221 C UNK A 10 -5.580 -1.454 2.480 0.00 0.00 +0.234 C ATOM 222 O UNK A 10 -5.430 -2.672 2.713 0.00 0.00 -0.274 OA BRANCH 221 223 ATOM 223 C UNK A 10 -5.898 -0.427 3.624 0.00 0.00 +0.159 C BRANCH 223 224 ATOM 224 N UNK A 10 -5.543 0.981 3.366 0.00 0.00 -0.302 N ATOM 225 H UNK A 10 -4.572 1.277 3.583 0.00 0.00 +0.150 HD ATOM 226 C UNK A 10 -6.527 1.926 3.521 0.00 0.00 +0.234 C ATOM 227 O UNK A 10 -7.740 1.684 3.396 0.00 0.00 -0.274 OA BRANCH 226 228 ATOM 228 C UNK A 10 -6.027 3.308 4.088 0.00 0.00 +0.159 C BRANCH 228 229 ATOM 229 N UNK A 10 -4.790 3.793 3.466 0.00 0.00 -0.302 N ATOM 230 H UNK A 10 -4.650 3.418 2.511 0.00 0.00 +0.150 HD ATOM 231 C UNK A 10 -3.618 3.662 4.171 0.00 0.00 +0.234 C ATOM 232 O UNK A 10 -3.288 2.641 4.775 0.00 0.00 -0.274 OA BRANCH 231 233 ATOM 233 C UNK A 10 -2.869 5.000 4.246 0.00 0.00 +0.159 C BRANCH 233 234 ATOM 234 N UNK A 10 -2.731 5.630 2.902 0.00 0.00 -0.302 N ATOM 235 H UNK A 10 -3.364 6.381 2.665 0.00 0.00 +0.150 HD ATOM 236 C UNK A 10 -2.191 4.852 1.859 0.00 0.00 +0.234 C ATOM 237 O UNK A 10 -1.833 3.679 1.976 0.00 0.00 -0.274 OA BRANCH 236 238 ATOM 238 C UNK A 10 -1.976 5.719 0.570 0.00 0.00 +0.159 C BRANCH 238 239 ATOM 239 N UNK A 10 -0.785 6.531 0.734 0.00 0.00 -0.302 N ATOM 240 H UNK A 10 -0.898 7.527 0.678 0.00 0.00 +0.150 HD ATOM 241 C UNK A 10 0.483 6.030 0.819 0.00 0.00 +0.234 C ATOM 242 O UNK A 10 0.862 5.008 0.218 0.00 0.00 -0.274 OA BRANCH 241 243 ATOM 243 C UNK A 10 1.536 6.878 1.636 0.00 0.00 +0.159 C BRANCH 243 244 ATOM 244 N UNK A 10 2.556 5.985 2.264 0.00 0.00 -0.302 N ATOM 245 H UNK A 10 3.535 6.190 2.139 0.00 0.00 +0.150 HD ATOM 246 C UNK A 10 2.132 5.015 3.152 0.00 0.00 +0.234 C ATOM 247 O UNK A 10 0.956 4.650 3.172 0.00 0.00 -0.274 OA BRANCH 246 248 ATOM 248 C UNK A 10 3.081 4.511 4.244 0.00 0.00 +0.159 C BRANCH 248 249 ATOM 249 N UNK A 10 3.390 3.090 4.226 0.00 0.00 -0.303 N ATOM 250 H UNK A 10 3.659 2.769 5.134 0.00 0.00 +0.149 HD ATOM 251 C UNK A 10 4.123 2.512 3.172 0.00 0.00 +0.230 C ATOM 252 O UNK A 10 3.591 2.145 2.134 0.00 0.00 -0.274 OA BRANCH 251 253 ATOM 253 C UNK A 10 5.542 2.135 3.595 0.00 0.00 +0.138 C BRANCH 253 254 ATOM 254 N UNK A 10 6.482 3.269 3.448 0.00 0.00 -0.320 NA ATOM 255 H UNK A 10 6.651 3.390 2.431 0.00 0.00 +0.119 HD ATOM 256 H UNK A 10 7.364 3.028 3.860 0.00 0.00 +0.119 HD ENDBRANCH 253 254 BRANCH 253 257 ATOM 257 C UNK A 10 6.081 0.906 2.812 0.00 0.00 +0.029 C BRANCH 257 258 ATOM 258 C UNK A 10 7.211 0.236 3.597 0.00 0.00 +0.023 C BRANCH 258 259 ATOM 259 C UNK A 10 7.684 -1.069 2.946 0.00 0.00 +0.115 C BRANCH 259 260 ATOM 260 N UNK A 10 8.569 -1.786 3.886 0.00 0.00 -0.356 N ATOM 261 H UNK A 10 8.216 -1.720 4.824 0.00 0.00 +0.162 HD BRANCH 260 262 ATOM 262 C UNK A 10 8.985 -3.043 3.573 0.00 0.00 +0.188 C ATOM 263 N UNK A 10 9.035 -3.515 2.386 0.00 0.00 -0.269 NA ATOM 264 H UNK A 10 9.258 -4.485 2.437 0.00 0.00 +0.190 HD BRANCH 262 265 ATOM 265 N UNK A 10 9.192 -3.762 4.691 0.00 0.00 -0.370 N ATOM 266 H UNK A 10 9.625 -4.643 4.554 0.00 0.00 +0.159 HD ATOM 267 H UNK A 10 9.761 -3.234 5.355 0.00 0.00 +0.159 HD ENDBRANCH 262 265 ENDBRANCH 260 262 ENDBRANCH 259 260 ENDBRANCH 258 259 ENDBRANCH 257 258 ENDBRANCH 253 257 ENDBRANCH 251 253 ENDBRANCH 248 249 BRANCH 248 268 ATOM 268 C UNK A 10 4.266 5.441 4.647 0.00 0.00 +0.033 C BRANCH 268 269 ATOM 269 C UNK A 10 4.996 5.075 5.973 0.00 0.00 +0.023 C BRANCH 269 270 ATOM 270 C UNK A 10 4.065 5.102 7.221 0.00 0.00 +0.115 C BRANCH 270 271 ATOM 271 N UNK A 10 3.723 3.735 7.740 0.00 0.00 -0.356 N ATOM 272 H UNK A 10 4.291 3.050 7.288 0.00 0.00 +0.162 HD BRANCH 271 273 ATOM 273 C UNK A 10 2.415 3.312 7.745 0.00 0.00 +0.188 C ATOM 274 N UNK A 10 1.494 3.705 6.964 0.00 0.00 -0.269 NA ATOM 275 H UNK A 10 0.634 3.153 7.011 0.00 0.00 +0.190 HD BRANCH 273 276 ATOM 276 N UNK A 10 2.311 2.231 8.582 0.00 0.00 -0.370 N ATOM 277 H UNK A 10 3.095 2.076 9.212 0.00 0.00 +0.159 HD ATOM 278 H UNK A 10 1.382 2.007 8.906 0.00 0.00 +0.159 HD ENDBRANCH 273 276 ENDBRANCH 271 273 ENDBRANCH 270 271 ENDBRANCH 269 270 ENDBRANCH 268 269 ENDBRANCH 248 268 ENDBRANCH 246 248 ENDBRANCH 243 244 BRANCH 243 279 ATOM 279 C UNK A 10 1.047 7.849 2.768 0.00 0.00 +0.033 C BRANCH 279 280 ATOM 280 C UNK A 10 -0.115 8.825 2.463 0.00 0.00 +0.023 C BRANCH 280 281 ATOM 281 C UNK A 10 -0.150 10.002 3.485 0.00 0.00 +0.115 C BRANCH 281 282 ATOM 282 N UNK A 10 -1.506 10.347 3.915 0.00 0.00 -0.356 N ATOM 283 H UNK A 10 -1.870 9.610 4.541 0.00 0.00 +0.162 HD BRANCH 282 284 ATOM 284 C UNK A 10 -2.387 10.933 3.049 0.00 0.00 +0.188 C ATOM 285 N UNK A 10 -2.110 11.309 1.833 0.00 0.00 -0.269 NA ATOM 286 H UNK A 10 -2.987 11.665 1.433 0.00 0.00 +0.190 HD BRANCH 284 287 ATOM 287 N UNK A 10 -3.574 11.109 3.678 0.00 0.00 -0.370 N ATOM 288 H UNK A 10 -3.481 11.316 4.705 0.00 0.00 +0.159 HD ATOM 289 H UNK A 10 -4.025 11.921 3.268 0.00 0.00 +0.159 HD ENDBRANCH 284 287 ENDBRANCH 282 284 ENDBRANCH 281 282 ENDBRANCH 280 281 ENDBRANCH 279 280 ENDBRANCH 243 279 ENDBRANCH 241 243 ENDBRANCH 238 239 BRANCH 238 290 ATOM 290 C UNK A 10 -2.072 4.841 -0.669 0.00 0.00 +0.033 C BRANCH 290 291 ATOM 291 C UNK A 10 -2.444 5.646 -1.926 0.00 0.00 +0.023 C BRANCH 291 292 ATOM 292 C UNK A 10 -1.415 5.578 -3.045 0.00 0.00 +0.115 C BRANCH 292 293 ATOM 293 N UNK A 10 -2.062 5.516 -4.378 0.00 0.00 -0.356 N ATOM 294 H UNK A 10 -2.653 6.348 -4.429 0.00 0.00 +0.162 HD BRANCH 293 295 ATOM 295 C UNK A 10 -1.284 5.327 -5.459 0.00 0.00 +0.188 C ATOM 296 N UNK A 10 0.000 5.170 -5.427 0.00 0.00 -0.269 NA ATOM 297 H UNK A 10 0.287 5.080 -6.394 0.00 0.00 +0.190 HD BRANCH 295 298 ATOM 298 N UNK A 10 -1.932 5.098 -6.618 0.00 0.00 -0.370 N ATOM 299 H UNK A 10 -1.994 4.069 -6.782 0.00 0.00 +0.159 HD ATOM 300 H UNK A 10 -2.891 5.438 -6.622 0.00 0.00 +0.159 HD ENDBRANCH 295 298 ENDBRANCH 293 295 ENDBRANCH 292 293 ENDBRANCH 291 292 ENDBRANCH 290 291 ENDBRANCH 238 290 ENDBRANCH 236 238 ENDBRANCH 233 234 BRANCH 233 301 ATOM 301 C UNK A 10 -1.514 4.977 4.994 0.00 0.00 +0.033 C BRANCH 301 302 ATOM 302 C UNK A 10 -1.480 5.841 6.254 0.00 0.00 +0.023 C BRANCH 302 303 ATOM 303 C UNK A 10 -0.320 6.843 6.173 0.00 0.00 +0.115 C BRANCH 303 304 ATOM 304 N UNK A 10 -0.189 7.613 7.438 0.00 0.00 -0.356 N ATOM 305 H UNK A 10 -0.109 6.938 8.207 0.00 0.00 +0.162 HD BRANCH 304 306 ATOM 306 C UNK A 10 0.758 8.596 7.501 0.00 0.00 +0.188 C ATOM 307 N UNK A 10 0.519 9.812 7.785 0.00 0.00 -0.269 NA ATOM 308 H UNK A 10 1.412 10.309 7.765 0.00 0.00 +0.190 HD BRANCH 306 309 ATOM 309 N UNK A 10 1.978 8.098 7.382 0.00 0.00 -0.370 N ATOM 310 H UNK A 10 2.703 8.486 7.998 0.00 0.00 +0.159 HD ATOM 311 H UNK A 10 1.964 7.106 7.539 0.00 0.00 +0.159 HD ENDBRANCH 306 309 ENDBRANCH 304 306 ENDBRANCH 303 304 ENDBRANCH 302 303 ENDBRANCH 301 302 ENDBRANCH 233 301 ENDBRANCH 231 233 ENDBRANCH 228 229 BRANCH 228 312 ATOM 312 C UNK A 10 -5.991 3.306 5.644 0.00 0.00 +0.033 C BRANCH 312 313 ATOM 313 C UNK A 10 -7.351 3.240 6.339 0.00 0.00 +0.023 C BRANCH 313 314 ATOM 314 C UNK A 10 -7.990 4.615 6.540 0.00 0.00 +0.115 C BRANCH 314 315 ATOM 315 N UNK A 10 -8.104 5.318 5.266 0.00 0.00 -0.356 N ATOM 316 H UNK A 10 -7.538 6.164 5.250 0.00 0.00 +0.162 HD BRANCH 315 317 ATOM 317 C UNK A 10 -9.258 5.413 4.554 0.00 0.00 +0.188 C ATOM 318 N UNK A 10 -10.370 4.791 4.728 0.00 0.00 -0.269 NA ATOM 319 H UNK A 10 -10.296 4.132 5.513 0.00 0.00 +0.190 HD BRANCH 317 320 ATOM 320 N UNK A 10 -9.114 6.270 3.533 0.00 0.00 -0.370 N ATOM 321 H UNK A 10 -8.395 5.917 2.882 0.00 0.00 +0.159 HD ATOM 322 H UNK A 10 -9.974 6.288 3.009 0.00 0.00 +0.159 HD ENDBRANCH 317 320 ENDBRANCH 315 317 ENDBRANCH 314 315 ENDBRANCH 313 314 ENDBRANCH 312 313 ENDBRANCH 228 312 ENDBRANCH 226 228 ENDBRANCH 223 224 BRANCH 223 323 ATOM 323 C UNK A 10 -5.380 -0.848 5.004 0.00 0.00 +0.033 C BRANCH 323 324 ATOM 324 C UNK A 10 -3.850 -0.827 5.137 0.00 0.00 +0.023 C BRANCH 324 325 ATOM 325 C UNK A 10 -3.426 -0.409 6.541 0.00 0.00 +0.115 C BRANCH 325 326 ATOM 326 N UNK A 10 -1.991 -0.685 6.704 0.00 0.00 -0.356 N ATOM 327 H UNK A 10 -1.825 -1.695 6.627 0.00 0.00 +0.162 HD BRANCH 326 328 ATOM 328 C UNK A 10 -1.321 -0.199 7.782 0.00 0.00 +0.188 C ATOM 329 N UNK A 10 -1.896 0.415 8.784 0.00 0.00 -0.269 NA ATOM 330 H UNK A 10 -1.179 0.481 9.520 0.00 0.00 +0.190 HD BRANCH 328 331 ATOM 331 N UNK A 10 -0.036 -0.541 7.709 0.00 0.00 -0.370 N ATOM 332 H UNK A 10 0.289 -0.666 6.772 0.00 0.00 +0.159 HD ATOM 333 H UNK A 10 0.619 -0.059 8.310 0.00 0.00 +0.159 HD ENDBRANCH 328 331 ENDBRANCH 326 328 ENDBRANCH 325 326 ENDBRANCH 324 325 ENDBRANCH 323 324 ENDBRANCH 223 323 ENDBRANCH 221 223 ENDBRANCH 218 219 BRANCH 218 334 ATOM 334 C UNK A 10 -7.408 -0.477 -0.520 0.00 0.00 +0.033 C BRANCH 334 335 ATOM 335 C UNK A 10 -7.539 -0.629 -2.031 0.00 0.00 +0.023 C BRANCH 335 336 ATOM 336 C UNK A 10 -8.622 -1.615 -2.485 0.00 0.00 +0.115 C BRANCH 336 337 ATOM 337 N UNK A 10 -8.190 -2.195 -3.765 0.00 0.00 -0.356 N ATOM 338 H UNK A 10 -7.390 -2.804 -3.713 0.00 0.00 +0.162 HD BRANCH 337 339 ATOM 339 C UNK A 10 -8.998 -2.258 -4.857 0.00 0.00 +0.188 C ATOM 340 N UNK A 10 -10.257 -1.874 -4.929 0.00 0.00 -0.269 NA ATOM 341 H UNK A 10 -10.565 -2.098 -5.876 0.00 0.00 +0.190 HD BRANCH 339 342 ATOM 342 N UNK A 10 -8.434 -2.731 -5.986 0.00 0.00 -0.370 N ATOM 343 H UNK A 10 -7.935 -1.966 -6.473 0.00 0.00 +0.159 HD ATOM 344 H UNK A 10 -7.795 -3.537 -5.862 0.00 0.00 +0.159 HD ENDBRANCH 339 342 ENDBRANCH 337 339 ENDBRANCH 336 337 ENDBRANCH 335 336 ENDBRANCH 334 335 ENDBRANCH 218 334 ENDBRANCH 216 218 ENDBRANCH 213 214 ENDBRANCH 212 213 ENDBRANCH 211 212 ENDBRANCH 210 211 ENDBRANCH 1 210 TORSDOF 155