REMARK Name = BDB059696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ILE A 7 -12.038 0.455 3.291 0.00 0.00 +0.162 C ATOM 2 C ILE A 7 -10.523 0.164 3.197 0.00 0.00 +0.234 C ATOM 3 O ILE A 7 -9.868 0.028 4.236 0.00 0.00 -0.274 OA ATOM 4 N LEU A 8 -9.856 0.060 2.011 0.00 0.00 -0.302 N ATOM 5 H LEU A 8 -8.890 -0.186 2.214 0.00 0.00 +0.150 HD ATOM 6 CA LEU A 8 -10.335 -0.540 0.754 0.00 0.00 +0.159 C ATOM 7 C LEU A 8 -9.826 -2.020 0.741 0.00 0.00 +0.234 C ATOM 8 O LEU A 8 -9.406 -2.573 1.761 0.00 0.00 -0.274 OA ATOM 9 N LYS A 9 -9.975 -2.708 -0.441 0.00 0.00 -0.302 N ATOM 10 H LYS A 9 -9.945 -2.155 -1.290 0.00 0.00 +0.150 HD ATOM 11 CA LYS A 9 -9.405 -4.051 -0.629 0.00 0.00 +0.159 C ATOM 12 C LYS A 9 -8.169 -3.875 -1.540 0.00 0.00 +0.234 C ATOM 13 O LYS A 9 -7.967 -2.810 -2.131 0.00 0.00 -0.274 OA ATOM 14 N LYS A 10 -7.298 -4.903 -1.760 0.00 0.00 -0.302 N ATOM 15 H LYS A 10 -6.487 -4.582 -2.273 0.00 0.00 +0.150 HD ATOM 16 CA LYS A 10 -7.118 -6.135 -0.980 0.00 0.00 +0.159 C ATOM 17 C LYS A 10 -6.006 -5.958 0.080 0.00 0.00 +0.234 C ATOM 18 O LYS A 10 -5.976 -6.622 1.114 0.00 0.00 -0.274 OA ATOM 19 N CYS A 11 -4.935 -5.159 -0.272 0.00 0.00 -0.302 N ATOM 20 H CYS A 11 -4.596 -4.715 0.580 0.00 0.00 +0.150 HD ATOM 21 CA CYS A 11 -3.748 -5.832 -0.843 0.00 0.00 +0.169 C ATOM 22 C CYS A 11 -2.791 -6.267 0.284 0.00 0.00 +0.235 C ATOM 23 N ARG A 12 -1.945 -7.313 -0.028 0.00 0.00 -0.302 N ATOM 24 H ARG A 12 -1.019 -7.018 0.269 0.00 0.00 +0.150 HD ATOM 25 CA ARG A 12 -2.250 -8.590 0.663 0.00 0.00 +0.159 C ATOM 26 C ARG A 12 -0.950 -9.421 0.719 0.00 0.00 +0.234 C ATOM 27 N ARG A 13 -0.153 -9.324 1.831 0.00 0.00 -0.302 N ATOM 28 H ARG A 13 0.677 -9.898 1.714 0.00 0.00 +0.150 HD ATOM 29 CA ARG A 13 0.069 -8.109 2.624 0.00 0.00 +0.159 C ATOM 30 C ARG A 13 1.302 -7.452 1.960 0.00 0.00 +0.234 C ATOM 31 N ASP A 14 2.433 -8.237 1.833 0.00 0.00 -0.302 N ATOM 32 H ASP A 14 2.935 -7.951 0.991 0.00 0.00 +0.150 HD ATOM 33 CA ASP A 14 3.403 -8.229 2.944 0.00 0.00 +0.169 C ATOM 34 C ASP A 14 4.575 -7.236 2.735 0.00 0.00 +0.235 C ATOM 35 N SER A 15 4.353 -6.249 1.801 0.00 0.00 -0.301 N ATOM 36 H SER A 15 3.391 -6.050 1.520 0.00 0.00 +0.150 HD ATOM 37 CA SER A 15 5.302 -5.148 1.600 0.00 0.00 +0.184 C ATOM 38 C SER A 15 4.761 -4.228 0.493 0.00 0.00 +0.236 C ATOM 39 N ASP A 16 5.027 -2.888 0.540 0.00 0.00 -0.302 N ATOM 40 H ASP A 16 4.574 -2.407 -0.234 0.00 0.00 +0.150 HD ATOM 41 CA ASP A 16 5.121 -2.099 1.780 0.00 0.00 +0.169 C ATOM 42 C ASP A 16 4.226 -0.849 1.625 0.00 0.00 +0.235 C ATOM 43 N CYS A 17 4.243 -0.141 0.445 0.00 0.00 -0.302 N ATOM 44 H CYS A 17 3.402 0.453 0.466 0.00 0.00 +0.150 HD ATOM 45 CA CYS A 17 5.405 0.682 0.015 0.00 0.00 +0.170 C ATOM 46 CB CYS A 17 6.220 -0.009 -1.099 0.00 0.00 +0.112 C ATOM 47 SG CYS A 17 7.601 1.010 -1.770 0.00 0.00 -0.091 S ATOM 48 SG CYS A 29 8.956 1.122 -0.232 0.00 0.00 -0.091 S ATOM 49 CB CYS A 29 10.270 -0.071 -0.704 0.00 0.00 +0.112 C ATOM 50 CA CYS A 29 11.427 0.501 -1.540 0.00 0.00 +0.169 C ATOM 51 N CYS A 29 11.077 1.001 -2.877 0.00 0.00 -0.302 N ATOM 52 H CYS A 29 11.303 1.992 -3.003 0.00 0.00 +0.150 HD ATOM 53 C TYR A 28 10.893 0.393 -4.077 0.00 0.00 +0.234 C ATOM 54 CA TYR A 28 10.406 -1.069 -4.191 0.00 0.00 +0.163 C ATOM 55 N TYR A 28 9.970 -1.349 -5.574 0.00 0.00 -0.302 N ATOM 56 H TYR A 28 10.654 -1.756 -6.206 0.00 0.00 +0.150 HD ATOM 57 C GLY A 27 8.893 -0.889 -6.272 0.00 0.00 +0.231 C ATOM 58 CA GLY A 27 7.914 0.078 -5.617 0.00 0.00 +0.200 C ATOM 59 N GLY A 27 8.355 1.452 -5.786 0.00 0.00 -0.305 N ATOM 60 H GLY A 27 9.367 1.610 -5.753 0.00 0.00 +0.149 HD ATOM 61 C ASN A 26 7.637 2.589 -5.575 0.00 0.00 +0.234 C ATOM 62 CA ASN A 26 6.100 2.541 -5.605 0.00 0.00 +0.168 C ATOM 63 N ASN A 26 5.640 3.658 -4.766 0.00 0.00 -0.302 N ATOM 64 H ASN A 26 6.260 4.463 -4.724 0.00 0.00 +0.150 HD ATOM 65 C GLY A 25 4.392 3.873 -4.260 0.00 0.00 +0.231 C ATOM 66 CA GLY A 25 3.358 2.749 -4.316 0.00 0.00 +0.200 C ATOM 67 N GLY A 25 2.586 2.815 -5.540 0.00 0.00 -0.305 N ATOM 68 H GLY A 25 2.525 3.728 -5.986 0.00 0.00 +0.149 HD ATOM 69 C ARG A 24 1.489 2.054 -5.817 0.00 0.00 +0.234 C ATOM 70 CA ARG A 24 1.268 0.711 -5.069 0.00 0.00 +0.159 C ATOM 71 N ARG A 24 -0.174 0.463 -5.042 0.00 0.00 -0.302 N ATOM 72 H ARG A 24 -0.645 0.820 -5.875 0.00 0.00 +0.150 HD ATOM 73 C CYS A 23 -1.010 0.539 -3.966 0.00 0.00 +0.235 C ATOM 74 CA CYS A 23 -0.530 0.032 -2.578 0.00 0.00 +0.169 C ATOM 75 N CYS A 23 -1.023 0.659 -1.321 0.00 0.00 -0.302 N ATOM 76 H CYS A 23 -0.436 0.299 -0.571 0.00 0.00 +0.150 HD ATOM 77 C ILE A 22 -2.295 0.600 -0.807 0.00 0.00 +0.234 C ATOM 78 CA ILE A 22 -3.460 1.442 -1.412 0.00 0.00 +0.162 C ATOM 79 N ILE A 22 -2.909 2.469 -2.300 0.00 0.00 -0.302 N ATOM 80 H ILE A 22 -2.754 2.133 -3.254 0.00 0.00 +0.150 HD ATOM 81 C CYS A 21 -2.138 3.552 -2.037 0.00 0.00 +0.235 C ATOM 82 CA CYS A 21 -2.135 4.308 -0.690 0.00 0.00 +0.169 C ATOM 83 N CYS A 21 -2.596 3.603 0.510 0.00 0.00 -0.302 N ATOM 84 H CYS A 21 -3.608 3.558 0.594 0.00 0.00 +0.150 HD ATOM 85 C ALA A 20 -2.037 3.570 1.754 0.00 0.00 +0.234 C ATOM 86 CA ALA A 20 -0.524 3.745 1.974 0.00 0.00 +0.156 C ATOM 87 N ALA A 20 0.275 2.955 1.029 0.00 0.00 -0.303 N ATOM 88 H ALA A 20 -0.248 2.407 0.351 0.00 0.00 +0.149 HD ATOM 89 C GLY A 19 1.526 2.435 1.263 0.00 0.00 +0.231 C ATOM 90 CA GLY A 19 2.409 3.131 2.314 0.00 0.00 +0.200 C ATOM 91 N GLY A 19 3.526 2.359 2.829 0.00 0.00 -0.305 N ATOM 92 H GLY A 19 3.295 1.650 3.520 0.00 0.00 +0.149 HD ATOM 93 C PRO A 18 4.864 2.532 2.686 0.00 0.00 +0.234 C ATOM 94 CA PRO A 18 5.475 3.329 1.524 0.00 0.00 +0.162 C ATOM 95 N PRO A 18 4.811 3.141 0.230 0.00 0.00 -0.288 N ATOM 96 CD PRO A 18 4.517 4.427 -0.387 0.00 0.00 +0.109 C ATOM 97 CG PRO A 18 5.354 5.433 0.391 0.00 0.00 +0.021 C ATOM 98 CB PRO A 18 5.428 4.837 1.786 0.00 0.00 +0.033 C ATOM 99 O PRO A 18 5.605 2.070 3.564 0.00 0.00 -0.274 OA ATOM 100 O GLY A 19 1.916 1.487 0.576 0.00 0.00 -0.274 OA ATOM 101 CB ALA A 20 -0.159 5.228 1.990 0.00 0.00 +0.038 C ATOM 102 O ALA A 20 -2.801 3.467 2.717 0.00 0.00 -0.274 OA ATOM 103 CB CYS A 21 -2.888 5.642 -0.879 0.00 0.00 +0.112 C ATOM 104 SG CYS A 21 -4.673 5.403 -1.213 0.00 0.00 -0.091 S ATOM 105 SG CYS A 4 -5.501 5.202 0.661 0.00 0.00 -0.091 S ATOM 106 CB CYS A 4 -6.351 6.805 0.833 0.00 0.00 +0.112 C ATOM 107 CA CYS A 4 -6.979 7.074 2.208 0.00 0.00 +0.169 C ATOM 108 C CYS A 4 -7.821 5.930 2.816 0.00 0.00 +0.235 C ATOM 109 O CYS A 4 -7.709 5.635 4.013 0.00 0.00 -0.274 OA ATOM 110 N PHE A 5 -8.738 5.202 2.122 0.00 0.00 -0.302 N ATOM 111 H PHE A 5 -9.151 4.531 2.751 0.00 0.00 +0.150 HD ATOM 112 CA PHE A 5 -9.514 5.537 0.923 0.00 0.00 +0.163 C ATOM 113 C PHE A 5 -11.010 5.740 1.258 0.00 0.00 +0.234 C ATOM 114 O PHE A 5 -11.650 6.666 0.753 0.00 0.00 -0.274 OA ATOM 115 N ARG A 6 -11.723 4.858 2.013 0.00 0.00 -0.302 N ATOM 116 H ARG A 6 -12.707 5.120 2.017 0.00 0.00 +0.150 HD ATOM 117 CA ARG A 6 -11.457 3.507 2.546 0.00 0.00 +0.159 C ATOM 118 C ARG A 6 -12.583 2.579 1.993 0.00 0.00 +0.234 C ATOM 119 O ARG A 6 -13.484 3.034 1.280 0.00 0.00 -0.274 OA ATOM 120 O CYS A 21 -1.468 4.011 -2.971 0.00 0.00 -0.274 OA ATOM 121 O ILE A 22 -2.444 -0.045 0.234 0.00 0.00 -0.274 OA ATOM 122 CB CYS A 23 -0.519 -1.516 -2.554 0.00 0.00 +0.112 C ATOM 123 SG CYS A 23 -2.125 -2.290 -2.943 0.00 0.00 -0.091 S ATOM 124 SG CYS A 11 -2.618 -3.291 -1.226 0.00 0.00 -0.091 S ATOM 125 O CYS A 23 -2.169 0.894 -4.182 0.00 0.00 -0.274 OA ATOM 126 O ARG A 24 0.709 2.441 -6.694 0.00 0.00 -0.274 OA ATOM 127 O GLY A 25 4.097 4.997 -3.846 0.00 0.00 -0.274 OA ATOM 128 O ASN A 26 8.235 3.663 -5.437 0.00 0.00 -0.274 OA ATOM 129 O GLY A 27 8.785 -1.222 -7.455 0.00 0.00 -0.274 OA ATOM 130 O TYR A 28 11.027 1.099 -5.081 0.00 0.00 -0.274 OA ATOM 131 C CYS A 17 4.816 2.002 -0.552 0.00 0.00 +0.237 C ATOM 132 O CYS A 17 4.272 1.991 -1.663 0.00 0.00 -0.274 OA ATOM 133 O ASP A 16 3.484 -0.480 2.534 0.00 0.00 -0.274 OA ATOM 134 O SER A 15 4.150 -4.665 -0.483 0.00 0.00 -0.274 OA ATOM 135 O ASP A 14 5.598 -7.277 3.418 0.00 0.00 -0.274 OA ATOM 136 O ARG A 13 1.304 -6.308 1.512 0.00 0.00 -0.274 OA ATOM 137 O ARG A 12 -0.585 -10.147 -0.203 0.00 0.00 -0.274 OA ATOM 138 O CYS A 11 -2.721 -5.710 1.377 0.00 0.00 -0.274 OA ATOM 139 CB CYS A 11 -2.996 -4.962 -1.861 0.00 0.00 +0.112 C ATOM 140 N ILE A 7 -12.615 1.231 2.200 0.00 0.00 -0.302 N ATOM 141 H ILE A 7 -13.456 0.856 1.780 0.00 0.00 +0.150 HD ENDROOT BRANCH 50 142 ATOM 142 C CYS A 29 12.156 1.664 -0.827 0.00 0.00 +0.235 C ATOM 143 N GLY A 30 12.916 1.332 0.268 0.00 0.00 -0.305 N ATOM 144 H GLY A 30 13.055 0.372 0.562 0.00 0.00 +0.149 HD ATOM 145 O CYS A 29 12.081 2.820 -1.246 0.00 0.00 -0.274 OA BRANCH 143 146 ATOM 146 CA GLY A 30 13.746 2.332 0.924 0.00 0.00 +0.200 C BRANCH 146 147 ATOM 147 C GLY A 30 15.038 1.698 1.446 0.00 0.00 +0.231 C ATOM 148 N SER A 31 16.097 2.573 1.522 0.00 0.00 -0.301 N ATOM 149 H SER A 31 15.898 3.568 1.460 0.00 0.00 +0.150 HD ATOM 150 O GLY A 30 15.089 0.516 1.785 0.00 0.00 -0.274 OA BRANCH 148 151 ATOM 151 CA SER A 31 17.358 2.237 2.193 0.00 0.00 +0.184 C BRANCH 151 152 ATOM 152 C SER A 31 17.513 3.223 3.364 0.00 0.00 +0.236 C ATOM 153 N GLY A 32 18.419 2.857 4.334 0.00 0.00 -0.305 N ATOM 154 H GLY A 32 18.711 1.883 4.382 0.00 0.00 +0.149 HD ATOM 155 O SER A 31 16.902 4.291 3.393 0.00 0.00 -0.274 OA BRANCH 153 156 ATOM 156 CA GLY A 32 18.562 3.643 5.557 0.00 0.00 +0.200 C BRANCH 156 157 ATOM 157 C GLY A 32 19.983 3.613 6.121 0.00 0.00 +0.231 C ATOM 158 N SER A 33 20.964 3.420 5.184 0.00 0.00 -0.301 N ATOM 159 H SER A 33 20.708 3.202 4.225 0.00 0.00 +0.150 HD ATOM 160 O GLY A 32 20.228 3.839 7.303 0.00 0.00 -0.274 OA BRANCH 158 161 ATOM 161 CA SER A 33 22.373 3.289 5.538 0.00 0.00 +0.184 C BRANCH 161 162 ATOM 162 C SER A 33 23.214 3.442 4.256 0.00 0.00 +0.236 C ATOM 163 N ASP A 34 24.571 3.559 4.464 0.00 0.00 -0.300 N ATOM 164 H ASP A 34 24.916 3.776 5.399 0.00 0.00 +0.150 HD ATOM 165 O SER A 33 22.721 3.462 3.127 0.00 0.00 -0.274 OA BRANCH 163 166 ATOM 166 CA ASP A 34 25.505 3.797 3.365 0.00 0.00 +0.192 C BRANCH 166 167 ATOM 167 C ASP A 34 26.905 3.366 3.811 0.00 0.00 +0.326 C ATOM 168 O ASP A 34 27.287 3.383 4.973 0.00 0.00 -0.249 OA BRANCH 167 169 ATOM 169 OXT ASP A 34 27.713 2.983 2.795 0.00 0.00 -0.479 OA ATOM 170 HXT ASP A 34 27.301 2.969 1.911 0.00 0.00 +0.295 HD ENDBRANCH 167 169 ENDBRANCH 166 167 BRANCH 166 171 ATOM 171 CB ASP A 34 25.522 5.248 2.896 0.00 0.00 +0.154 C BRANCH 171 172 ATOM 172 CG ASP A 34 26.028 6.162 3.976 0.00 0.00 +0.307 C ATOM 173 OD1 ASP A 34 25.537 6.310 5.082 0.00 0.00 -0.251 OA BRANCH 172 174 ATOM 174 OD2 ASP A 34 27.130 6.835 3.603 0.00 0.00 -0.481 OA ATOM 175 HD2 ASP A 34 27.374 7.371 4.392 0.00 0.00 +0.295 HD ENDBRANCH 172 174 ENDBRANCH 171 172 ENDBRANCH 166 171 ENDBRANCH 163 166 ENDBRANCH 161 162 BRANCH 161 176 ATOM 176 CB SER A 33 22.673 1.950 6.232 0.00 0.00 +0.187 C BRANCH 176 177 ATOM 177 OG SER A 33 22.191 0.849 5.459 0.00 0.00 -0.393 OA ATOM 178 H SER A 33 22.425 0.040 5.947 0.00 0.00 +0.209 HD ENDBRANCH 176 177 ENDBRANCH 161 176 ENDBRANCH 158 161 ENDBRANCH 156 157 ENDBRANCH 153 156 ENDBRANCH 151 152 BRANCH 151 179 ATOM 179 CB SER A 31 18.560 2.389 1.252 0.00 0.00 +0.187 C BRANCH 179 180 ATOM 180 OG SER A 31 18.603 1.308 0.321 0.00 0.00 -0.393 OA ATOM 181 H SER A 31 19.332 1.489 -0.298 0.00 0.00 +0.209 HD ENDBRANCH 179 180 ENDBRANCH 151 179 ENDBRANCH 148 151 ENDBRANCH 146 147 ENDBRANCH 143 146 ENDBRANCH 50 142 BRANCH 107 182 ATOM 182 N CYS A 4 -7.726 8.336 2.207 0.00 0.00 -0.302 N ATOM 183 H CYS A 4 -8.672 8.322 1.819 0.00 0.00 +0.150 HD ATOM 184 C GLN A 3 -7.055 9.538 2.071 0.00 0.00 +0.234 C ATOM 185 O GLN A 3 -5.830 9.621 2.157 0.00 0.00 -0.274 OA BRANCH 184 186 ATOM 186 CA GLN A 3 -7.919 10.762 1.683 0.00 0.00 +0.159 C BRANCH 186 187 ATOM 187 N GLN A 3 -8.268 10.729 0.258 0.00 0.00 -0.303 N ATOM 188 H GLN A 3 -8.239 11.619 -0.233 0.00 0.00 +0.149 HD ATOM 189 C GLY A 2 -9.118 9.786 -0.275 0.00 0.00 +0.231 C ATOM 190 O GLY A 2 -9.558 8.847 0.385 0.00 0.00 -0.274 OA BRANCH 189 191 ATOM 191 CA GLY A 2 -9.573 10.048 -1.708 0.00 0.00 +0.200 C BRANCH 191 192 ATOM 192 N GLY A 2 -10.964 10.448 -1.652 0.00 0.00 -0.306 N ATOM 193 H GLY A 2 -11.627 9.721 -1.395 0.00 0.00 +0.149 HD ATOM 194 C GLY A 1 -11.283 11.751 -1.339 0.00 0.00 +0.227 C ATOM 195 O GLY A 1 -10.432 12.637 -1.235 0.00 0.00 -0.274 OA BRANCH 194 196 ATOM 196 CA GLY A 1 -12.780 11.998 -1.127 0.00 0.00 +0.174 C BRANCH 196 197 ATOM 197 N GLY A 1 -13.010 13.326 -0.535 0.00 0.00 -0.322 NA ATOM 198 H1 GLY A 1 -12.578 13.336 0.390 0.00 0.00 +0.119 HD ATOM 199 H2 GLY A 1 -12.463 13.999 -1.080 0.00 0.00 +0.119 HD ENDBRANCH 196 197 ENDBRANCH 194 196 ENDBRANCH 191 192 ENDBRANCH 189 191 ENDBRANCH 186 187 BRANCH 186 200 ATOM 200 CB GLN A 3 -9.110 10.994 2.620 0.00 0.00 +0.041 C BRANCH 200 201 ATOM 201 CG GLN A 3 -9.739 12.370 2.393 0.00 0.00 +0.098 C BRANCH 201 202 ATOM 202 CD GLN A 3 -10.907 12.638 3.310 0.00 0.00 +0.211 C ATOM 203 OE1 GLN A 3 -11.235 11.929 4.251 0.00 0.00 -0.276 OA ATOM 204 NE2 GLN A 3 -11.598 13.779 3.013 0.00 0.00 -0.329 N ATOM 205 HE21 GLN A 3 -11.208 14.501 2.423 0.00 0.00 +0.145 HD ATOM 206 HE22 GLN A 3 -12.336 14.037 3.658 0.00 0.00 +0.145 HD ENDBRANCH 201 202 ENDBRANCH 200 201 ENDBRANCH 186 200 ENDBRANCH 184 186 ENDBRANCH 107 182 BRANCH 1 207 ATOM 207 CB ILE A 7 -12.870 -0.785 3.728 0.00 0.00 +0.015 C ATOM 208 CG2 ILE A 7 -14.241 -0.360 4.279 0.00 0.00 +0.010 C BRANCH 207 210 ATOM 209 CD1 ILE A 7 -13.957 -1.769 1.558 0.00 0.00 +0.004 C ATOM 210 CG1 ILE A 7 -13.006 -1.951 2.731 0.00 0.00 +0.002 C ENDBRANCH 207 210 ENDBRANCH 1 207 BRANCH 78 211 ATOM 211 CB ILE A 22 -4.522 0.545 -2.111 0.00 0.00 +0.015 C ATOM 212 CG2 ILE A 22 -5.268 -0.342 -1.100 0.00 0.00 +0.010 C BRANCH 211 213 ATOM 213 CG1 ILE A 22 -5.542 1.328 -2.970 0.00 0.00 +0.002 C ATOM 214 CD1 ILE A 22 -6.557 2.140 -2.184 0.00 0.00 +0.004 C ENDBRANCH 211 213 ENDBRANCH 78 211 BRANCH 41 215 ATOM 215 CB ASP A 16 6.559 -1.821 2.174 0.00 0.00 +0.152 C BRANCH 215 216 ATOM 216 CG ASP A 16 6.581 -0.921 3.366 0.00 0.00 +0.307 C ATOM 217 OD1 ASP A 16 6.024 -1.136 4.427 0.00 0.00 -0.251 OA BRANCH 216 218 ATOM 218 OD2 ASP A 16 7.234 0.224 3.104 0.00 0.00 -0.481 OA ATOM 219 HD2 ASP A 16 6.871 0.877 3.759 0.00 0.00 +0.295 HD ENDBRANCH 216 218 ENDBRANCH 215 216 ENDBRANCH 41 215 BRANCH 25 220 ATOM 220 CB ARG A 12 -3.372 -9.349 -0.069 0.00 0.00 +0.033 C BRANCH 220 221 ATOM 221 CG ARG A 12 -3.968 -10.551 0.686 0.00 0.00 +0.023 C BRANCH 221 222 ATOM 222 CD ARG A 12 -3.086 -11.786 0.889 0.00 0.00 +0.115 C BRANCH 222 223 ATOM 223 NE ARG A 12 -2.500 -12.214 -0.369 0.00 0.00 -0.356 N ATOM 224 HE ARG A 12 -1.887 -11.501 -0.765 0.00 0.00 +0.162 HD BRANCH 223 225 ATOM 225 CZ ARG A 12 -1.992 -13.449 -0.575 0.00 0.00 +0.188 C ATOM 226 NH1 ARG A 12 -2.410 -14.565 -0.106 0.00 0.00 -0.269 NA ATOM 227 HH1 ARG A 12 -3.239 -14.388 0.463 0.00 0.00 +0.190 HD BRANCH 225 228 ATOM 228 NH2 ARG A 12 -0.944 -13.439 -1.420 0.00 0.00 -0.370 N ATOM 229 HH21 ARG A 12 -0.528 -14.364 -1.451 0.00 0.00 +0.159 HD ATOM 230 HH22 ARG A 12 -0.250 -12.733 -1.207 0.00 0.00 +0.159 HD ENDBRANCH 225 228 ENDBRANCH 223 225 ENDBRANCH 222 223 ENDBRANCH 221 222 ENDBRANCH 220 221 ENDBRANCH 25 220 BRANCH 6 231 ATOM 231 CB LEU A 8 -9.804 0.283 -0.435 0.00 0.00 +0.034 C BRANCH 231 232 ATOM 232 CG LEU A 8 -10.774 0.384 -1.637 0.00 0.00 -0.015 C ATOM 233 CD2 LEU A 8 -10.040 0.972 -2.847 0.00 0.00 +0.007 C ATOM 234 CD1 LEU A 8 -12.001 1.238 -1.325 0.00 0.00 +0.007 C ENDBRANCH 231 232 ENDBRANCH 6 231 BRANCH 29 235 ATOM 235 CB ARG A 13 0.281 -8.422 4.106 0.00 0.00 +0.033 C BRANCH 235 236 ATOM 236 CG ARG A 13 -1.003 -8.711 4.898 0.00 0.00 +0.023 C BRANCH 236 237 ATOM 237 CD ARG A 13 -1.756 -9.951 4.430 0.00 0.00 +0.115 C BRANCH 237 238 ATOM 238 NE ARG A 13 -2.782 -10.312 5.392 0.00 0.00 -0.356 N ATOM 239 HE ARG A 13 -3.302 -9.523 5.760 0.00 0.00 +0.162 HD BRANCH 238 240 ATOM 240 CZ ARG A 13 -3.560 -11.398 5.182 0.00 0.00 +0.188 C ATOM 241 NH1 ARG A 13 -3.430 -12.212 4.200 0.00 0.00 -0.269 NA ATOM 242 HH1 ARG A 13 -4.141 -12.943 4.268 0.00 0.00 +0.190 HD BRANCH 240 243 ATOM 243 NH2 ARG A 13 -4.483 -11.547 6.152 0.00 0.00 -0.370 N ATOM 244 HH21 ARG A 13 -4.150 -11.244 7.060 0.00 0.00 +0.159 HD ATOM 245 HH22 ARG A 13 -4.892 -12.473 6.211 0.00 0.00 +0.159 HD ENDBRANCH 240 243 ENDBRANCH 238 240 ENDBRANCH 237 238 ENDBRANCH 236 237 ENDBRANCH 235 236 ENDBRANCH 29 235 BRANCH 37 246 ATOM 246 CB SER A 15 6.707 -5.617 1.186 0.00 0.00 +0.187 C BRANCH 246 247 ATOM 247 OG SER A 15 7.546 -5.782 2.333 0.00 0.00 -0.393 OA ATOM 248 H SER A 15 7.090 -6.438 2.909 0.00 0.00 +0.209 HD ENDBRANCH 246 247 ENDBRANCH 37 246 BRANCH 33 249 ATOM 249 CB ASP A 14 3.912 -9.631 3.263 0.00 0.00 +0.152 C BRANCH 249 250 ATOM 250 CG ASP A 14 4.608 -10.251 2.088 0.00 0.00 +0.307 C ATOM 251 OD1 ASP A 14 5.406 -9.714 1.338 0.00 0.00 -0.251 OA BRANCH 250 252 ATOM 252 OD2 ASP A 14 4.270 -11.547 1.923 0.00 0.00 -0.481 OA ATOM 253 HD2 ASP A 14 4.820 -11.852 1.171 0.00 0.00 +0.295 HD ENDBRANCH 250 252 ENDBRANCH 249 250 ENDBRANCH 33 249 BRANCH 112 254 ATOM 254 CB PHE A 5 -9.355 4.466 -0.170 0.00 0.00 +0.067 C BRANCH 254 255 ATOM 255 CG PHE A 5 -9.644 4.981 -1.563 0.00 0.00 -0.045 A ATOM 256 CD2 PHE A 5 -8.597 5.386 -2.401 0.00 0.00 +0.004 A ATOM 257 CE2 PHE A 5 -8.856 5.859 -3.688 0.00 0.00 +0.000 A ATOM 258 CZ PHE A 5 -10.167 5.939 -4.151 0.00 0.00 +0.000 A ATOM 259 CE1 PHE A 5 -11.218 5.544 -3.325 0.00 0.00 +0.000 A ATOM 260 CD1 PHE A 5 -10.958 5.067 -2.040 0.00 0.00 +0.004 A ENDBRANCH 254 255 ENDBRANCH 112 254 BRANCH 117 261 ATOM 261 CB ARG A 6 -11.339 3.608 4.073 0.00 0.00 +0.033 C BRANCH 261 262 ATOM 262 CG ARG A 6 -12.671 3.850 4.799 0.00 0.00 +0.023 C BRANCH 262 263 ATOM 263 CD ARG A 6 -12.529 3.760 6.321 0.00 0.00 +0.115 C BRANCH 263 264 ATOM 264 NE ARG A 6 -11.730 4.850 6.849 0.00 0.00 -0.356 N ATOM 265 HE ARG A 6 -10.740 4.765 6.642 0.00 0.00 +0.162 HD BRANCH 264 266 ATOM 266 CZ ARG A 6 -12.156 6.125 6.980 0.00 0.00 +0.188 C ATOM 267 NH1 ARG A 6 -11.386 7.150 6.957 0.00 0.00 -0.269 NA ATOM 268 HH1 ARG A 6 -10.419 6.857 6.800 0.00 0.00 +0.190 HD BRANCH 266 269 ATOM 269 NH2 ARG A 6 -13.473 6.306 7.176 0.00 0.00 -0.370 N ATOM 270 HH21 ARG A 6 -13.830 5.732 7.927 0.00 0.00 +0.159 HD ATOM 271 HH22 ARG A 6 -13.631 7.285 7.389 0.00 0.00 +0.159 HD ENDBRANCH 266 269 ENDBRANCH 264 266 ENDBRANCH 263 264 ENDBRANCH 262 263 ENDBRANCH 261 262 ENDBRANCH 117 261 BRANCH 70 272 ATOM 272 CB ARG A 24 2.003 -0.465 -5.720 0.00 0.00 +0.033 C BRANCH 272 273 ATOM 273 CG ARG A 24 1.611 -0.709 -7.181 0.00 0.00 +0.023 C BRANCH 273 274 ATOM 274 CD ARG A 24 2.442 -1.821 -7.821 0.00 0.00 +0.115 C BRANCH 274 275 ATOM 275 NE ARG A 24 1.951 -2.123 -9.159 0.00 0.00 -0.356 N ATOM 276 HE ARG A 24 2.121 -3.089 -9.413 0.00 0.00 +0.162 HD BRANCH 275 277 ATOM 277 CZ ARG A 24 2.157 -1.295 -10.208 0.00 0.00 +0.188 C ATOM 278 NH1 ARG A 24 2.717 -0.142 -10.168 0.00 0.00 -0.269 NA ATOM 279 HH1 ARG A 24 2.755 0.238 -11.116 0.00 0.00 +0.190 HD BRANCH 277 280 ATOM 280 NH2 ARG A 24 1.672 -1.837 -11.345 0.00 0.00 -0.370 N ATOM 281 HH21 ARG A 24 1.540 -1.179 -12.103 0.00 0.00 +0.159 HD ATOM 282 HH22 ARG A 24 0.824 -2.365 -11.180 0.00 0.00 +0.159 HD ENDBRANCH 277 280 ENDBRANCH 275 277 ENDBRANCH 274 275 ENDBRANCH 273 274 ENDBRANCH 272 273 ENDBRANCH 70 272 BRANCH 62 283 ATOM 283 CB ASN A 26 5.633 2.728 -7.054 0.00 0.00 +0.127 C BRANCH 283 284 ATOM 284 CG ASN A 26 4.898 1.523 -7.574 0.00 0.00 +0.213 C ATOM 285 OD1 ASN A 26 4.888 0.425 -7.025 0.00 0.00 -0.276 OA ATOM 286 ND2 ASN A 26 4.284 1.722 -8.780 0.00 0.00 -0.329 N ATOM 287 HD21 ASN A 26 3.937 2.634 -9.035 0.00 0.00 +0.145 HD ATOM 288 HD22 ASN A 26 3.692 0.947 -9.106 0.00 0.00 +0.145 HD ENDBRANCH 283 284 ENDBRANCH 62 283 BRANCH 54 289 ATOM 289 CB TYR A 28 11.425 -2.134 -3.741 0.00 0.00 +0.067 C BRANCH 289 290 ATOM 290 CG TYR A 28 12.633 -2.285 -4.643 0.00 0.00 -0.045 A ATOM 291 CD2 TYR A 28 12.690 -3.338 -5.575 0.00 0.00 +0.007 A ATOM 292 CE2 TYR A 28 13.765 -3.453 -6.459 0.00 0.00 +0.045 A ATOM 293 CZ TYR A 28 14.792 -2.519 -6.408 0.00 0.00 +0.117 A ATOM 294 CE1 TYR A 28 14.765 -1.485 -5.480 0.00 0.00 +0.045 A ATOM 295 CD1 TYR A 28 13.690 -1.367 -4.599 0.00 0.00 +0.007 A BRANCH 293 296 ATOM 296 OH TYR A 28 15.851 -2.581 -7.266 0.00 0.00 -0.507 OA ATOM 297 HH TYR A 28 15.673 -3.264 -7.929 0.00 0.00 +0.292 HD ENDBRANCH 293 296 ENDBRANCH 289 290 ENDBRANCH 54 289 BRANCH 16 298 ATOM 298 CB LYS A 10 -6.747 -7.301 -1.916 0.00 0.00 +0.032 C BRANCH 298 299 ATOM 299 CG LYS A 10 -7.929 -7.885 -2.697 0.00 0.00 +0.003 C BRANCH 299 300 ATOM 300 CD LYS A 10 -8.899 -8.727 -1.861 0.00 0.00 +0.015 C BRANCH 300 301 ATOM 301 CE LYS A 10 -8.293 -10.044 -1.377 0.00 0.00 +0.077 C BRANCH 301 302 ATOM 302 NZ LYS A 10 -9.299 -10.820 -0.662 0.00 0.00 -0.330 NA ATOM 303 HZ1 LYS A 10 -8.888 -11.700 -0.346 0.00 0.00 +0.118 HD ATOM 304 HZ2 LYS A 10 -9.592 -10.322 0.177 0.00 0.00 +0.118 HD ENDBRANCH 301 302 ENDBRANCH 300 301 ENDBRANCH 299 300 ENDBRANCH 298 299 ENDBRANCH 16 298 BRANCH 11 305 ATOM 305 CB LYS A 9 -10.446 -4.964 -1.288 0.00 0.00 +0.032 C BRANCH 305 306 ATOM 306 CG LYS A 9 -11.636 -5.310 -0.382 0.00 0.00 +0.003 C BRANCH 306 307 ATOM 307 CD LYS A 9 -11.247 -6.190 0.810 0.00 0.00 +0.015 C BRANCH 307 308 ATOM 308 CE LYS A 9 -12.450 -6.669 1.627 0.00 0.00 +0.077 C BRANCH 308 309 ATOM 309 NZ LYS A 9 -13.139 -5.558 2.269 0.00 0.00 -0.330 NA ATOM 310 HZ1 LYS A 9 -12.476 -5.043 2.850 0.00 0.00 +0.118 HD ATOM 311 HZ2 LYS A 9 -13.844 -5.923 2.910 0.00 0.00 +0.118 HD ENDBRANCH 308 309 ENDBRANCH 307 308 ENDBRANCH 306 307 ENDBRANCH 305 306 ENDBRANCH 11 305 TORSDOF 84