ATOM 1 N MET A 1 1.107 -0.435 -0.282 1.00 61.14 N ATOM 2 CA MET A 1 2.108 -0.133 -1.298 1.00 54.30 C ATOM 3 C MET A 1 3.234 -1.161 -1.275 1.00 10.41 C ATOM 4 O MET A 1 3.963 -1.278 -0.290 1.00 3.43 O ATOM 5 CB MET A 1 2.678 1.270 -1.082 1.00 20.22 C ATOM 6 CG MET A 1 3.043 1.561 0.364 1.00 1.40 C ATOM 7 SD MET A 1 4.364 2.781 0.516 1.00 51.55 S ATOM 8 CE MET A 1 5.744 1.871 -0.175 1.00 35.22 C ATOM 9 H MET A 1 1.341 -1.042 0.453 1.00 74.14 H ATOM 10 HA MET A 1 1.623 -0.170 -2.262 1.00 15.40 H ATOM 11 HB2 MET A 1 3.567 1.381 -1.684 1.00 4.54 H ATOM 12 HB3 MET A 1 1.945 1.997 -1.398 1.00 14.14 H ATOM 13 HG2 MET A 1 2.169 1.936 0.875 1.00 54.45 H ATOM 14 HG3 MET A 1 3.365 0.642 0.832 1.00 12.20 H ATOM 15 HE1 MET A 1 6.640 2.470 -0.103 1.00 22.11 H ATOM 16 HE2 MET A 1 5.879 0.952 0.373 1.00 11.55 H ATOM 17 HE3 MET A 1 5.543 1.647 -1.212 1.00 61.33 H ATOM 18 N CYS A 2 3.372 -1.906 -2.367 1.00 65.22 N ATOM 19 CA CYS A 2 4.409 -2.926 -2.472 1.00 20.05 C ATOM 20 C CYS A 2 5.767 -2.292 -2.762 1.00 4.54 C ATOM 21 O CYS A 2 6.797 -2.758 -2.276 1.00 4.35 O ATOM 22 CB CYS A 2 4.056 -3.929 -3.572 1.00 63.23 C ATOM 23 SG CYS A 2 5.069 -5.444 -3.547 1.00 13.21 S ATOM 24 H CYS A 2 2.760 -1.768 -3.121 1.00 75.25 H ATOM 25 HA CYS A 2 4.462 -3.444 -1.528 1.00 54.14 H ATOM 26 HB2 CYS A 2 3.024 -4.223 -3.462 1.00 13.22 H ATOM 27 HB3 CYS A 2 4.191 -3.460 -4.535 1.00 71.35 H ATOM 28 N MET A 3 5.759 -1.228 -3.557 1.00 45.01 N ATOM 29 CA MET A 3 6.990 -0.529 -3.911 1.00 52.23 C ATOM 30 C MET A 3 6.689 0.867 -4.447 1.00 23.10 C ATOM 31 O MET A 3 5.608 1.136 -4.972 1.00 20.11 O ATOM 32 CB MET A 3 7.774 -1.330 -4.954 1.00 74.12 C ATOM 33 CG MET A 3 7.218 -1.201 -6.363 1.00 63.41 C ATOM 34 SD MET A 3 8.177 -2.130 -7.575 1.00 2.44 S ATOM 35 CE MET A 3 9.813 -1.449 -7.306 1.00 45.55 C ATOM 36 H MET A 3 4.907 -0.903 -3.915 1.00 0.44 H ATOM 37 HA MET A 3 7.587 -0.438 -3.016 1.00 70.35 H ATOM 38 HB2 MET A 3 8.797 -0.984 -4.960 1.00 63.13 H ATOM 39 HB3 MET A 3 7.756 -2.374 -4.677 1.00 23.14 H ATOM 40 HG2 MET A 3 6.203 -1.568 -6.370 1.00 53.32 H ATOM 41 HG3 MET A 3 7.223 -0.157 -6.642 1.00 1.24 H ATOM 42 HE1 MET A 3 10.325 -2.031 -6.554 1.00 21.34 H ATOM 43 HE2 MET A 3 10.372 -1.482 -8.229 1.00 61.54 H ATOM 44 HE3 MET A 3 9.726 -0.425 -6.973 1.00 63.45 H ATOM 45 N PRO A 4 7.664 1.778 -4.310 1.00 22.41 N ATOM 46 CA PRO A 4 7.526 3.161 -4.774 1.00 23.31 C ATOM 47 C PRO A 4 7.509 3.263 -6.296 1.00 1.05 C ATOM 48 O PRO A 4 8.391 2.735 -6.973 1.00 42.21 O ATOM 49 CB PRO A 4 8.768 3.851 -4.205 1.00 25.11 C ATOM 50 CG PRO A 4 9.766 2.758 -4.039 1.00 51.45 C ATOM 51 CD PRO A 4 8.977 1.526 -3.693 1.00 11.41 C ATOM 52 HA PRO A 4 6.637 3.626 -4.373 1.00 24.43 H ATOM 53 HB2 PRO A 4 9.115 4.602 -4.900 1.00 61.33 H ATOM 54 HB3 PRO A 4 8.526 4.312 -3.259 1.00 71.44 H ATOM 55 HG2 PRO A 4 10.307 2.610 -4.961 1.00 72.30 H ATOM 56 HG3 PRO A 4 10.448 3.003 -3.238 1.00 34.11 H ATOM 57 HD2 PRO A 4 9.442 0.648 -4.117 1.00 15.24 H ATOM 58 HD3 PRO A 4 8.886 1.425 -2.621 1.00 72.12 H ATOM 59 N CYS A 5 6.500 3.946 -6.826 1.00 4.23 N ATOM 60 CA CYS A 5 6.368 4.118 -8.267 1.00 74.20 C ATOM 61 C CYS A 5 6.809 5.516 -8.691 1.00 64.10 C ATOM 62 O CYS A 5 7.014 6.394 -7.853 1.00 15.51 O ATOM 63 CB CYS A 5 4.920 3.875 -8.701 1.00 42.42 C ATOM 64 SG CYS A 5 4.757 3.038 -10.310 1.00 30.21 S ATOM 65 H CYS A 5 5.828 4.344 -6.234 1.00 1.03 H ATOM 66 HA CYS A 5 7.005 3.392 -8.748 1.00 23.14 H ATOM 67 HB2 CYS A 5 4.430 3.261 -7.960 1.00 54.03 H ATOM 68 HB3 CYS A 5 4.410 4.824 -8.770 1.00 14.14 H ATOM 69 N PHE A 6 6.953 5.715 -9.998 1.00 61.31 N ATOM 70 CA PHE A 6 7.370 7.005 -10.533 1.00 11.13 C ATOM 71 C PHE A 6 6.696 7.282 -11.873 1.00 22.31 C ATOM 72 O PHE A 6 6.893 6.550 -12.845 1.00 51.14 O ATOM 73 CB PHE A 6 8.892 7.045 -10.698 1.00 13.01 C ATOM 74 CG PHE A 6 9.631 7.187 -9.398 1.00 63.40 C ATOM 75 CD1 PHE A 6 10.105 8.422 -8.986 1.00 51.33 C ATOM 76 CD2 PHE A 6 9.853 6.085 -8.588 1.00 31.31 C ATOM 77 CE1 PHE A 6 10.787 8.555 -7.792 1.00 4.43 C ATOM 78 CE2 PHE A 6 10.533 6.211 -7.392 1.00 22.35 C ATOM 79 CZ PHE A 6 11.000 7.448 -6.993 1.00 34.35 C ATOM 80 H PHE A 6 6.775 4.975 -10.616 1.00 73.13 H ATOM 81 HA PHE A 6 7.073 7.767 -9.830 1.00 73.55 H ATOM 82 HB2 PHE A 6 9.220 6.130 -11.167 1.00 11.14 H ATOM 83 HB3 PHE A 6 9.157 7.883 -11.325 1.00 15.01 H ATOM 84 HD1 PHE A 6 9.939 9.288 -9.609 1.00 4.32 H ATOM 85 HD2 PHE A 6 9.487 5.116 -8.899 1.00 2.12 H ATOM 86 HE1 PHE A 6 11.151 9.523 -7.482 1.00 62.43 H ATOM 87 HE2 PHE A 6 10.697 5.344 -6.770 1.00 62.21 H ATOM 88 HZ PHE A 6 11.533 7.549 -6.059 1.00 51.43 H ATOM 89 N THR A 7 5.898 8.344 -11.919 1.00 52.30 N ATOM 90 CA THR A 7 5.191 8.718 -13.139 1.00 12.52 C ATOM 91 C THR A 7 6.168 9.110 -14.241 1.00 73.14 C ATOM 92 O THR A 7 5.938 8.829 -15.418 1.00 53.32 O ATOM 93 CB THR A 7 4.221 9.887 -12.889 1.00 60.31 C ATOM 94 OG1 THR A 7 3.510 10.199 -14.092 1.00 62.32 O ATOM 95 CG2 THR A 7 4.969 11.118 -12.403 1.00 21.32 C ATOM 96 H THR A 7 5.782 8.889 -11.113 1.00 2.23 H ATOM 97 HA THR A 7 4.617 7.864 -13.466 1.00 25.02 H ATOM 98 HB THR A 7 3.512 9.590 -12.128 1.00 13.03 H ATOM 99 HG1 THR A 7 2.673 9.729 -14.101 1.00 50.10 H ATOM 100 HG21 THR A 7 5.568 11.518 -13.208 1.00 33.24 H ATOM 101 HG22 THR A 7 5.611 10.847 -11.578 1.00 1.34 H ATOM 102 HG23 THR A 7 4.260 11.864 -12.077 1.00 63.31 H ATOM 103 N THR A 8 7.261 9.760 -13.854 1.00 1.00 N ATOM 104 CA THR A 8 8.273 10.192 -14.810 1.00 60.33 C ATOM 105 C THR A 8 9.069 9.005 -15.341 1.00 53.42 C ATOM 106 O THR A 8 9.666 9.076 -16.416 1.00 64.45 O ATOM 107 CB THR A 8 9.246 11.207 -14.180 1.00 54.50 C ATOM 108 OG1 THR A 8 10.154 11.696 -15.173 1.00 44.03 O ATOM 109 CG2 THR A 8 10.026 10.571 -13.039 1.00 4.11 C ATOM 110 H THR A 8 7.389 9.955 -12.902 1.00 15.32 H ATOM 111 HA THR A 8 7.769 10.672 -15.636 1.00 2.23 H ATOM 112 HB THR A 8 8.672 12.035 -13.787 1.00 41.13 H ATOM 113 HG1 THR A 8 9.672 12.224 -15.815 1.00 42.43 H ATOM 114 HG21 THR A 8 9.656 9.573 -12.861 1.00 54.43 H ATOM 115 HG22 THR A 8 9.906 11.166 -12.146 1.00 2.14 H ATOM 116 HG23 THR A 8 11.073 10.524 -13.303 1.00 74.13 H ATOM 117 N ASP A 9 9.073 7.915 -14.582 1.00 21.34 N ATOM 118 CA ASP A 9 9.795 6.710 -14.978 1.00 12.04 C ATOM 119 C ASP A 9 8.913 5.803 -15.828 1.00 61.42 C ATOM 120 O ASP A 9 7.762 5.534 -15.480 1.00 12.44 O ATOM 121 CB ASP A 9 10.284 5.954 -13.741 1.00 52.22 C ATOM 122 CG ASP A 9 11.276 6.759 -12.924 1.00 4.24 C ATOM 123 OD1 ASP A 9 11.827 6.208 -11.949 1.00 2.11 O ATOM 124 OD2 ASP A 9 11.501 7.939 -13.262 1.00 44.10 O1- ATOM 125 H ASP A 9 8.579 7.919 -13.736 1.00 2.15 H ATOM 126 HA ASP A 9 10.650 7.014 -15.564 1.00 55.21 H ATOM 127 HB2 ASP A 9 9.437 5.717 -13.113 1.00 2.03 H ATOM 128 HB3 ASP A 9 10.762 5.038 -14.054 1.00 52.11 H ATOM 129 N HIS A 10 9.459 5.333 -16.947 1.00 43.01 N ATOM 130 CA HIS A 10 8.721 4.457 -17.848 1.00 62.24 C ATOM 131 C HIS A 10 9.006 2.991 -17.533 1.00 53.43 C ATOM 132 O HIS A 10 8.124 2.141 -17.644 1.00 31.54 O ATOM 133 CB HIS A 10 9.087 4.759 -19.301 1.00 31.21 C ATOM 134 CG HIS A 10 8.923 6.201 -19.672 1.00 13.22 C ATOM 135 ND1 HIS A 10 7.812 6.944 -19.332 1.00 61.15 N ATOM 136 CD2 HIS A 10 9.738 7.037 -20.357 1.00 41.34 C ATOM 137 CE1 HIS A 10 7.950 8.175 -19.792 1.00 72.53 C ATOM 138 NE2 HIS A 10 9.111 8.257 -20.418 1.00 64.11 N ATOM 139 H HIS A 10 10.380 5.584 -17.170 1.00 40.51 H ATOM 140 HA HIS A 10 7.667 4.644 -17.705 1.00 21.14 H ATOM 141 HB2 HIS A 10 10.118 4.489 -19.469 1.00 15.41 H ATOM 142 HB3 HIS A 10 8.455 4.174 -19.954 1.00 4.24 H ATOM 143 HD1 HIS A 10 7.038 6.618 -18.829 1.00 3.22 H ATOM 144 HD2 HIS A 10 10.702 6.791 -20.777 1.00 74.25 H ATOM 145 HE1 HIS A 10 7.237 8.977 -19.677 1.00 61.01 H ATOM 146 N GLN A 11 10.244 2.704 -17.144 1.00 53.33 N ATOM 147 CA GLN A 11 10.645 1.341 -16.816 1.00 74.14 C ATOM 148 C GLN A 11 10.223 0.977 -15.396 1.00 32.21 C ATOM 149 O GLN A 11 10.215 -0.196 -15.022 1.00 21.34 O ATOM 150 CB GLN A 11 12.159 1.182 -16.968 1.00 43.54 C ATOM 151 CG GLN A 11 12.961 2.175 -16.145 1.00 43.54 C ATOM 152 CD GLN A 11 14.428 1.805 -16.049 1.00 64.12 C ATOM 153 OE1 GLN A 11 15.097 1.606 -17.064 1.00 53.20 O ATOM 154 NE2 GLN A 11 14.937 1.710 -14.827 1.00 34.11 N ATOM 155 H GLN A 11 10.902 3.425 -17.075 1.00 21.03 H ATOM 156 HA GLN A 11 10.150 0.675 -17.506 1.00 15.23 H ATOM 157 HB2 GLN A 11 12.436 0.184 -16.661 1.00 73.33 H ATOM 158 HB3 GLN A 11 12.419 1.315 -18.007 1.00 24.02 H ATOM 159 HG2 GLN A 11 12.882 3.150 -16.602 1.00 63.04 H ATOM 160 HG3 GLN A 11 12.548 2.212 -15.147 1.00 63.33 H ATOM 161 HE21 GLN A 11 14.344 1.880 -14.065 1.00 15.12 H ATOM 162 HE22 GLN A 11 15.882 1.471 -14.736 1.00 62.42 H ATOM 163 N MET A 12 9.874 1.989 -14.609 1.00 45.43 N ATOM 164 CA MET A 12 9.452 1.774 -13.230 1.00 41.10 C ATOM 165 C MET A 12 8.140 0.999 -13.179 1.00 14.12 C ATOM 166 O MET A 12 7.948 0.140 -12.319 1.00 20.41 O ATOM 167 CB MET A 12 9.295 3.114 -12.507 1.00 13.42 C ATOM 168 CG MET A 12 8.888 2.974 -11.049 1.00 3.42 C ATOM 169 SD MET A 12 10.293 2.658 -9.965 1.00 34.23 S ATOM 170 CE MET A 12 9.713 1.217 -9.072 1.00 44.15 C ATOM 171 H MET A 12 9.902 2.902 -14.964 1.00 23.24 H ATOM 172 HA MET A 12 10.218 1.197 -12.735 1.00 24.11 H ATOM 173 HB2 MET A 12 10.235 3.643 -12.548 1.00 10.25 H ATOM 174 HB3 MET A 12 8.541 3.697 -13.014 1.00 64.23 H ATOM 175 HG2 MET A 12 8.407 3.888 -10.734 1.00 14.24 H ATOM 176 HG3 MET A 12 8.190 2.154 -10.963 1.00 32.30 H ATOM 177 HE1 MET A 12 10.138 1.213 -8.079 1.00 33.32 H ATOM 178 HE2 MET A 12 8.635 1.247 -9.001 1.00 73.40 H ATOM 179 HE3 MET A 12 10.015 0.322 -9.597 1.00 50.41 H ATOM 180 N ALA A 13 7.238 1.308 -14.104 1.00 20.32 N ATOM 181 CA ALA A 13 5.944 0.639 -14.165 1.00 61.02 C ATOM 182 C ALA A 13 6.111 -0.877 -14.180 1.00 65.44 C ATOM 183 O ALA A 13 5.301 -1.605 -13.605 1.00 61.00 O ATOM 184 CB ALA A 13 5.169 1.099 -15.391 1.00 41.50 C ATOM 185 H ALA A 13 7.448 2.002 -14.763 1.00 54.24 H ATOM 186 HA ALA A 13 5.381 0.921 -13.287 1.00 40.02 H ATOM 187 HB1 ALA A 13 5.657 1.962 -15.821 1.00 4.12 H ATOM 188 HB2 ALA A 13 5.140 0.301 -16.118 1.00 21.51 H ATOM 189 HB3 ALA A 13 4.162 1.359 -15.103 1.00 41.25 H ATOM 190 N ARG A 14 7.165 -1.346 -14.839 1.00 61.42 N ATOM 191 CA ARG A 14 7.436 -2.775 -14.930 1.00 4.12 C ATOM 192 C ARG A 14 7.524 -3.400 -13.540 1.00 73.12 C ATOM 193 O ARG A 14 6.808 -4.353 -13.229 1.00 51.32 O ATOM 194 CB ARG A 14 8.737 -3.022 -15.695 1.00 70.30 C ATOM 195 CG ARG A 14 8.538 -3.742 -17.019 1.00 3.53 C ATOM 196 CD ARG A 14 9.555 -3.292 -18.055 1.00 31.05 C ATOM 197 NE ARG A 14 10.544 -4.330 -18.337 1.00 71.02 N ATOM 198 CZ ARG A 14 10.319 -5.358 -19.146 1.00 73.14 C ATOM 199 NH1 ARG A 14 9.146 -5.486 -19.751 1.00 12.21 N1+ ATOM 200 NH2 ARG A 14 11.269 -6.262 -19.352 1.00 43.21 N ATOM 201 H ARG A 14 7.775 -0.715 -15.276 1.00 11.41 H ATOM 202 HA ARG A 14 6.620 -3.235 -15.466 1.00 53.42 H ATOM 203 HB2 ARG A 14 9.209 -2.072 -15.895 1.00 62.34 H ATOM 204 HB3 ARG A 14 9.394 -3.620 -15.081 1.00 32.32 H ATOM 205 HG2 ARG A 14 8.646 -4.804 -16.860 1.00 14.32 H ATOM 206 HG3 ARG A 14 7.544 -3.530 -17.386 1.00 64.15 H ATOM 207 HD2 ARG A 14 9.034 -3.047 -18.970 1.00 2.11 H ATOM 208 HD3 ARG A 14 10.063 -2.415 -17.685 1.00 61.05 H ATOM 209 HE ARG A 14 11.418 -4.254 -17.900 1.00 12.31 H ATOM 210 HH11 ARG A 14 8.429 -4.807 -19.599 1.00 13.11 H ATOM 211 HH12 ARG A 14 8.980 -6.262 -20.362 1.00 54.33 H ATOM 212 HH21 ARG A 14 12.154 -6.168 -18.898 1.00 3.13 H ATOM 213 HH22 ARG A 14 11.099 -7.036 -19.962 1.00 22.33 H ATOM 214 N LYS A 15 8.407 -2.859 -12.708 1.00 53.05 N ATOM 215 CA LYS A 15 8.590 -3.361 -11.351 1.00 32.42 C ATOM 216 C LYS A 15 7.304 -3.225 -10.543 1.00 33.31 C ATOM 217 O LYS A 15 6.934 -4.126 -9.789 1.00 53.12 O ATOM 218 CB LYS A 15 9.725 -2.609 -10.655 1.00 1.14 C ATOM 219 CG LYS A 15 11.063 -2.732 -11.364 1.00 62.52 C ATOM 220 CD LYS A 15 12.059 -1.703 -10.858 1.00 62.43 C ATOM 221 CE LYS A 15 11.946 -0.394 -11.625 1.00 42.23 C ATOM 222 NZ LYS A 15 13.282 0.131 -12.025 1.00 31.31 N1+ ATOM 223 H LYS A 15 8.949 -2.101 -13.014 1.00 5.22 H ATOM 224 HA LYS A 15 8.851 -4.407 -11.418 1.00 12.41 H ATOM 225 HB2 LYS A 15 9.466 -1.561 -10.601 1.00 65.25 H ATOM 226 HB3 LYS A 15 9.836 -2.995 -9.652 1.00 61.53 H ATOM 227 HG2 LYS A 15 11.462 -3.721 -11.188 1.00 44.42 H ATOM 228 HG3 LYS A 15 10.913 -2.586 -12.424 1.00 63.13 H ATOM 229 HD2 LYS A 15 11.868 -1.513 -9.812 1.00 35.34 H ATOM 230 HD3 LYS A 15 13.060 -2.095 -10.977 1.00 43.40 H ATOM 231 HE2 LYS A 15 11.355 -0.563 -12.511 1.00 42.01 H ATOM 232 HE3 LYS A 15 11.456 0.334 -10.997 1.00 31.51 H ATOM 233 HZ1 LYS A 15 13.653 0.760 -11.285 1.00 32.11 H ATOM 234 HZ2 LYS A 15 13.203 0.666 -12.913 1.00 43.32 H ATOM 235 HZ3 LYS A 15 13.948 -0.655 -12.165 1.00 5.34 H ATOM 236 N CYS A 16 6.625 -2.095 -10.705 1.00 3.31 N ATOM 237 CA CYS A 16 5.379 -1.841 -9.992 1.00 42.35 C ATOM 238 C CYS A 16 4.415 -3.013 -10.147 1.00 44.12 C ATOM 239 O CYS A 16 3.812 -3.468 -9.174 1.00 25.33 O ATOM 240 CB CYS A 16 4.725 -0.557 -10.507 1.00 33.01 C ATOM 241 SG CYS A 16 2.978 -0.369 -10.026 1.00 23.31 S ATOM 242 H CYS A 16 6.970 -1.414 -11.321 1.00 60.30 H ATOM 243 HA CYS A 16 5.615 -1.721 -8.946 1.00 65.44 H ATOM 244 HB2 CYS A 16 5.265 0.294 -10.118 1.00 64.11 H ATOM 245 HB3 CYS A 16 4.773 -0.545 -11.585 1.00 1.13 H ATOM 246 N ASP A 17 4.275 -3.498 -11.376 1.00 30.21 N ATOM 247 CA ASP A 17 3.385 -4.619 -11.658 1.00 74.33 C ATOM 248 C ASP A 17 3.959 -5.921 -11.109 1.00 20.44 C ATOM 249 O ASP A 17 3.223 -6.777 -10.616 1.00 54.11 O ATOM 250 CB ASP A 17 3.152 -4.746 -13.165 1.00 61.34 C ATOM 251 CG ASP A 17 2.735 -3.434 -13.798 1.00 41.41 C ATOM 252 OD1 ASP A 17 2.811 -3.324 -15.040 1.00 23.12 O ATOM 253 OD2 ASP A 17 2.332 -2.516 -13.053 1.00 73.12 O1- ATOM 254 H ASP A 17 4.783 -3.094 -12.110 1.00 20.24 H ATOM 255 HA ASP A 17 2.441 -4.424 -11.173 1.00 70.12 H ATOM 256 HB2 ASP A 17 4.066 -5.077 -13.637 1.00 60.14 H ATOM 257 HB3 ASP A 17 2.375 -5.474 -13.343 1.00 43.02 H ATOM 258 N ASP A 18 5.277 -6.064 -11.198 1.00 1.53 N ATOM 259 CA ASP A 18 5.951 -7.262 -10.709 1.00 43.23 C ATOM 260 C ASP A 18 5.734 -7.434 -9.209 1.00 73.15 C ATOM 261 O ASP A 18 5.326 -8.501 -8.748 1.00 70.42 O ATOM 262 CB ASP A 18 7.447 -7.193 -11.016 1.00 12.25 C ATOM 263 CG ASP A 18 8.136 -8.532 -10.841 1.00 72.42 C ATOM 264 OD1 ASP A 18 8.636 -8.801 -9.729 1.00 72.02 O ATOM 265 OD2 ASP A 18 8.178 -9.309 -11.818 1.00 1.52 O1- ATOM 266 H ASP A 18 5.810 -5.347 -11.601 1.00 42.55 H ATOM 267 HA ASP A 18 5.527 -8.113 -11.221 1.00 30.43 H ATOM 268 HB2 ASP A 18 7.584 -6.868 -12.037 1.00 71.53 H ATOM 269 HB3 ASP A 18 7.911 -6.480 -10.351 1.00 23.01 H ATOM 270 N CYS A 19 6.009 -6.378 -8.451 1.00 74.32 N ATOM 271 CA CYS A 19 5.846 -6.411 -7.003 1.00 61.35 C ATOM 272 C CYS A 19 4.437 -6.858 -6.624 1.00 64.12 C ATOM 273 O CYS A 19 4.242 -7.564 -5.635 1.00 71.41 O ATOM 274 CB CYS A 19 6.135 -5.032 -6.404 1.00 12.25 C ATOM 275 SG CYS A 19 6.690 -5.076 -4.671 1.00 61.50 S ATOM 276 H CYS A 19 6.332 -5.555 -8.877 1.00 52.24 H ATOM 277 HA CYS A 19 6.555 -7.121 -6.606 1.00 12.02 H ATOM 278 HB2 CYS A 19 6.909 -4.552 -6.985 1.00 43.44 H ATOM 279 HB3 CYS A 19 5.237 -4.435 -6.447 1.00 44.30 H ATOM 280 N CYS A 20 3.457 -6.440 -7.419 1.00 43.21 N ATOM 281 CA CYS A 20 2.066 -6.796 -7.169 1.00 13.54 C ATOM 282 C CYS A 20 1.839 -8.289 -7.385 1.00 3.21 C ATOM 283 O CYS A 20 0.945 -8.884 -6.784 1.00 31.20 O ATOM 284 CB CYS A 20 1.139 -5.989 -8.082 1.00 71.44 C ATOM 285 SG CYS A 20 1.154 -4.196 -7.760 1.00 62.14 S ATOM 286 H CYS A 20 3.675 -5.878 -8.193 1.00 13.34 H ATOM 287 HA CYS A 20 1.841 -6.555 -6.140 1.00 50.45 H ATOM 288 HB2 CYS A 20 1.438 -6.142 -9.109 1.00 1.51 H ATOM 289 HB3 CYS A 20 0.125 -6.339 -7.952 1.00 54.53 H ATOM 290 N GLY A 21 2.655 -8.888 -8.246 1.00 71.21 N ATOM 291 CA GLY A 21 2.527 -10.306 -8.526 1.00 63.31 C ATOM 292 C GLY A 21 3.297 -10.724 -9.763 1.00 31.25 C ATOM 293 O GLY A 21 4.289 -11.447 -9.671 1.00 4.44 O ATOM 294 H GLY A 21 3.350 -8.362 -8.695 1.00 15.03 H ATOM 295 HA2 GLY A 21 2.897 -10.863 -7.679 1.00 21.32 H ATOM 296 HA3 GLY A 21 1.483 -10.540 -8.670 1.00 45.10 H ATOM 297 N GLY A 22 2.839 -10.269 -10.926 1.00 45.41 N ATOM 298 CA GLY A 22 3.502 -10.613 -12.169 1.00 34.14 C ATOM 299 C GLY A 22 3.384 -9.517 -13.211 1.00 73.32 C ATOM 300 O GLY A 22 2.955 -8.404 -12.907 1.00 61.24 O ATOM 301 H GLY A 22 2.044 -9.696 -10.938 1.00 60.10 H ATOM 302 HA2 GLY A 22 4.548 -10.794 -11.969 1.00 2.10 H ATOM 303 HA3 GLY A 22 3.060 -11.516 -12.563 1.00 24.21 H ATOM 304 N LYS A 23 3.767 -9.832 -14.445 1.00 3.23 N ATOM 305 CA LYS A 23 3.702 -8.867 -15.535 1.00 20.35 C ATOM 306 C LYS A 23 2.255 -8.575 -15.919 1.00 22.43 C ATOM 307 O LYS A 23 1.532 -9.462 -16.371 1.00 2.32 O ATOM 308 CB LYS A 23 4.468 -9.390 -16.752 1.00 72.33 C ATOM 309 CG LYS A 23 4.864 -8.303 -17.736 1.00 64.12 C ATOM 310 CD LYS A 23 5.496 -8.886 -18.989 1.00 52.32 C ATOM 311 CE LYS A 23 6.938 -9.301 -18.744 1.00 45.02 C ATOM 312 NZ LYS A 23 7.393 -10.329 -19.720 1.00 51.44 N1+ ATOM 313 H LYS A 23 4.100 -10.737 -14.625 1.00 3.22 H ATOM 314 HA LYS A 23 4.164 -7.951 -15.196 1.00 40.43 H ATOM 315 HB2 LYS A 23 5.367 -9.883 -16.412 1.00 34.30 H ATOM 316 HB3 LYS A 23 3.850 -10.108 -17.271 1.00 10.51 H ATOM 317 HG2 LYS A 23 3.982 -7.746 -18.017 1.00 33.44 H ATOM 318 HG3 LYS A 23 5.573 -7.641 -17.260 1.00 3.51 H ATOM 319 HD2 LYS A 23 4.931 -9.755 -19.296 1.00 62.25 H ATOM 320 HD3 LYS A 23 5.471 -8.144 -19.774 1.00 13.45 H ATOM 321 HE2 LYS A 23 7.569 -8.429 -18.832 1.00 23.11 H ATOM 322 HE3 LYS A 23 7.018 -9.704 -17.745 1.00 53.04 H ATOM 323 HZ1 LYS A 23 6.854 -10.243 -20.606 1.00 22.05 H ATOM 324 HZ2 LYS A 23 7.246 -11.282 -19.330 1.00 23.14 H ATOM 325 HZ3 LYS A 23 8.404 -10.203 -19.928 1.00 40.52 H ATOM 326 N GLY A 24 1.839 -7.325 -15.738 1.00 4.40 N ATOM 327 CA GLY A 24 0.480 -6.940 -16.072 1.00 75.05 C ATOM 328 C GLY A 24 -0.402 -6.806 -14.846 1.00 42.01 C ATOM 329 O GLY A 24 -1.440 -6.145 -14.890 1.00 52.53 O ATOM 330 H GLY A 24 2.460 -6.661 -15.373 1.00 25.55 H ATOM 331 HA2 GLY A 24 0.504 -5.994 -16.591 1.00 12.33 H ATOM 332 HA3 GLY A 24 0.057 -7.688 -16.726 1.00 2.34 H ATOM 333 N ARG A 25 0.010 -7.435 -13.750 1.00 15.22 N ATOM 334 CA ARG A 25 -0.752 -7.385 -12.509 1.00 10.45 C ATOM 335 C ARG A 25 -0.373 -6.157 -11.687 1.00 52.41 C ATOM 336 O ARG A 25 0.783 -5.988 -11.300 1.00 73.24 O ATOM 337 CB ARG A 25 -0.515 -8.654 -11.687 1.00 71.43 C ATOM 338 CG ARG A 25 -0.527 -9.927 -12.518 1.00 22.35 C ATOM 339 CD ARG A 25 -1.068 -11.105 -11.723 1.00 4.34 C ATOM 340 NE ARG A 25 -1.994 -11.916 -12.508 1.00 25.31 N ATOM 341 CZ ARG A 25 -3.241 -11.549 -12.785 1.00 43.12 C ATOM 342 NH1 ARG A 25 -3.707 -10.389 -12.341 1.00 62.53 N1+ ATOM 343 NH2 ARG A 25 -4.023 -12.342 -13.505 1.00 50.14 N ATOM 344 H ARG A 25 0.846 -7.946 -13.778 1.00 43.44 H ATOM 345 HA ARG A 25 -1.799 -7.323 -12.764 1.00 53.35 H ATOM 346 HB2 ARG A 25 0.445 -8.578 -11.200 1.00 52.51 H ATOM 347 HB3 ARG A 25 -1.286 -8.732 -10.937 1.00 44.52 H ATOM 348 HG2 ARG A 25 -1.152 -9.774 -13.385 1.00 71.44 H ATOM 349 HG3 ARG A 25 0.482 -10.149 -12.834 1.00 42.22 H ATOM 350 HD2 ARG A 25 -0.239 -11.723 -11.411 1.00 43.41 H ATOM 351 HD3 ARG A 25 -1.583 -10.728 -10.853 1.00 72.52 H ATOM 352 HE ARG A 25 -1.670 -12.777 -12.846 1.00 71.42 H ATOM 353 HH11 ARG A 25 -3.119 -9.790 -11.798 1.00 14.34 H ATOM 354 HH12 ARG A 25 -4.646 -10.115 -12.551 1.00 2.50 H ATOM 355 HH21 ARG A 25 -3.675 -13.216 -13.841 1.00 12.23 H ATOM 356 HH22 ARG A 25 -4.961 -12.065 -13.712 1.00 22.24 H ATOM 357 N GLY A 26 -1.356 -5.300 -11.425 1.00 12.23 N ATOM 358 CA GLY A 26 -1.104 -4.097 -10.651 1.00 3.25 C ATOM 359 C GLY A 26 -1.259 -2.835 -11.476 1.00 24.32 C ATOM 360 O GLY A 26 -1.620 -2.892 -12.650 1.00 11.13 O ATOM 361 H GLY A 26 -2.257 -5.485 -11.758 1.00 43.32 H ATOM 362 HA2 GLY A 26 -1.799 -4.063 -9.824 1.00 32.44 H ATOM 363 HA3 GLY A 26 -0.098 -4.137 -10.261 1.00 64.11 H ATOM 364 N LYS A 27 -0.985 -1.691 -10.858 1.00 24.11 N ATOM 365 CA LYS A 27 -1.096 -0.407 -11.542 1.00 32.04 C ATOM 366 C LYS A 27 -0.234 0.650 -10.858 1.00 61.25 C ATOM 367 O LYS A 27 0.057 0.552 -9.666 1.00 41.23 O ATOM 368 CB LYS A 27 -2.556 0.053 -11.574 1.00 32.44 C ATOM 369 CG LYS A 27 -3.160 0.063 -12.967 1.00 22.41 C ATOM 370 CD LYS A 27 -2.697 1.269 -13.767 1.00 55.25 C ATOM 371 CE LYS A 27 -1.581 0.904 -14.733 1.00 3.41 C ATOM 372 NZ LYS A 27 -1.331 1.984 -15.727 1.00 54.24 N1+ ATOM 373 H LYS A 27 -0.702 -1.709 -9.920 1.00 41.42 H ATOM 374 HA LYS A 27 -0.747 -0.540 -12.555 1.00 61.03 H ATOM 375 HB2 LYS A 27 -3.142 -0.608 -10.954 1.00 64.22 H ATOM 376 HB3 LYS A 27 -2.613 1.054 -11.172 1.00 21.32 H ATOM 377 HG2 LYS A 27 -2.861 -0.836 -13.486 1.00 34.13 H ATOM 378 HG3 LYS A 27 -4.237 0.090 -12.882 1.00 32.04 H ATOM 379 HD2 LYS A 27 -3.532 1.659 -14.330 1.00 4.44 H ATOM 380 HD3 LYS A 27 -2.337 2.026 -13.085 1.00 42.23 H ATOM 381 HE2 LYS A 27 -0.678 0.729 -14.168 1.00 23.42 H ATOM 382 HE3 LYS A 27 -1.858 0.000 -15.256 1.00 60.13 H ATOM 383 HZ1 LYS A 27 -1.503 1.629 -16.689 1.00 33.13 H ATOM 384 HZ2 LYS A 27 -0.345 2.309 -15.661 1.00 74.00 H ATOM 385 HZ3 LYS A 27 -1.963 2.789 -15.547 1.00 22.22 H ATOM 386 N CYS A 28 0.171 1.659 -11.621 1.00 33.30 N ATOM 387 CA CYS A 28 0.999 2.735 -11.089 1.00 64.20 C ATOM 388 C CYS A 28 0.188 4.018 -10.929 1.00 13.13 C ATOM 389 O CYS A 28 -0.176 4.661 -11.914 1.00 62.20 O ATOM 390 CB CYS A 28 2.197 2.987 -12.008 1.00 65.11 C ATOM 391 SG CYS A 28 3.407 4.175 -11.342 1.00 14.21 S ATOM 392 H CYS A 28 -0.092 1.682 -12.565 1.00 41.24 H ATOM 393 HA CYS A 28 1.360 2.429 -10.119 1.00 44.02 H ATOM 394 HB2 CYS A 28 2.713 2.053 -12.177 1.00 14.45 H ATOM 395 HB3 CYS A 28 1.841 3.372 -12.952 1.00 4.33 H ATOM 396 N TYR A 29 -0.090 4.384 -9.683 1.00 12.13 N ATOM 397 CA TYR A 29 -0.860 5.588 -9.394 1.00 54.10 C ATOM 398 C TYR A 29 -0.136 6.466 -8.376 1.00 74.01 C ATOM 399 O TYR A 29 -0.036 6.118 -7.200 1.00 21.41 O ATOM 400 CB TYR A 29 -2.248 5.218 -8.870 1.00 42.54 C ATOM 401 CG TYR A 29 -3.059 4.388 -9.839 1.00 45.23 C ATOM 402 CD1 TYR A 29 -3.802 3.299 -9.398 1.00 34.12 C ATOM 403 CD2 TYR A 29 -3.082 4.691 -11.194 1.00 62.43 C ATOM 404 CE1 TYR A 29 -4.544 2.536 -10.279 1.00 13.32 C ATOM 405 CE2 TYR A 29 -3.822 3.935 -12.083 1.00 31.12 C ATOM 406 CZ TYR A 29 -4.551 2.859 -11.620 1.00 13.41 C ATOM 407 OH TYR A 29 -5.290 2.103 -12.503 1.00 30.43 O ATOM 408 H TYR A 29 0.228 3.830 -8.940 1.00 31.15 H ATOM 409 HA TYR A 29 -0.968 6.141 -10.315 1.00 62.24 H ATOM 410 HB2 TYR A 29 -2.141 4.652 -7.957 1.00 4.12 H ATOM 411 HB3 TYR A 29 -2.801 6.123 -8.664 1.00 4.13 H ATOM 412 HD1 TYR A 29 -3.793 3.049 -8.347 1.00 34.10 H ATOM 413 HD2 TYR A 29 -2.510 5.533 -11.553 1.00 55.44 H ATOM 414 HE1 TYR A 29 -5.115 1.694 -9.918 1.00 64.52 H ATOM 415 HE2 TYR A 29 -3.829 4.187 -13.133 1.00 70.25 H ATOM 416 HH TYR A 29 -6.159 2.495 -12.611 1.00 34.11 H ATOM 417 N GLY A 30 0.365 7.607 -8.838 1.00 73.23 N ATOM 418 CA GLY A 30 1.072 8.517 -7.957 1.00 75.55 C ATOM 419 C GLY A 30 2.490 8.064 -7.672 1.00 55.41 C ATOM 420 O GLY A 30 3.070 7.267 -8.409 1.00 44.54 O ATOM 421 H GLY A 30 0.255 7.832 -9.786 1.00 55.31 H ATOM 422 HA2 GLY A 30 1.103 9.494 -8.415 1.00 23.51 H ATOM 423 HA3 GLY A 30 0.534 8.586 -7.022 1.00 4.20 H ATOM 424 N PRO A 31 3.072 8.580 -6.579 1.00 73.33 N ATOM 425 CA PRO A 31 4.438 8.238 -6.174 1.00 43.14 C ATOM 426 C PRO A 31 4.554 6.801 -5.676 1.00 12.34 C ATOM 427 O PRO A 31 5.649 6.241 -5.620 1.00 71.01 O ATOM 428 CB PRO A 31 4.728 9.222 -5.037 1.00 11.54 C ATOM 429 CG PRO A 31 3.387 9.571 -4.487 1.00 21.14 C ATOM 430 CD PRO A 31 2.439 9.535 -5.654 1.00 72.01 C ATOM 431 HA PRO A 31 5.142 8.398 -6.977 1.00 2.41 H ATOM 432 HB2 PRO A 31 5.349 8.744 -4.293 1.00 63.31 H ATOM 433 HB3 PRO A 31 5.232 10.093 -5.429 1.00 63.04 H ATOM 434 HG2 PRO A 31 3.095 8.844 -3.744 1.00 34.33 H ATOM 435 HG3 PRO A 31 3.415 10.560 -4.056 1.00 30.22 H ATOM 436 HD2 PRO A 31 1.468 9.184 -5.340 1.00 4.13 H ATOM 437 HD3 PRO A 31 2.361 10.513 -6.106 1.00 34.24 H ATOM 438 N GLN A 32 3.418 6.211 -5.317 1.00 24.42 N ATOM 439 CA GLN A 32 3.394 4.839 -4.824 1.00 72.22 C ATOM 440 C GLN A 32 2.661 3.924 -5.799 1.00 34.31 C ATOM 441 O GLN A 32 1.723 4.345 -6.478 1.00 54.23 O ATOM 442 CB GLN A 32 2.725 4.780 -3.450 1.00 24.33 C ATOM 443 CG GLN A 32 3.437 5.606 -2.391 1.00 54.33 C ATOM 444 CD GLN A 32 2.580 5.846 -1.163 1.00 11.12 C ATOM 445 OE1 GLN A 32 2.452 6.975 -0.692 1.00 63.11 O ATOM 446 NE2 GLN A 32 1.987 4.780 -0.639 1.00 54.22 N ATOM 447 H GLN A 32 2.578 6.710 -5.384 1.00 31.43 H ATOM 448 HA GLN A 32 4.415 4.502 -4.732 1.00 24.43 H ATOM 449 HB2 GLN A 32 1.713 5.144 -3.540 1.00 14.54 H ATOM 450 HB3 GLN A 32 2.702 3.752 -3.118 1.00 42.10 H ATOM 451 HG2 GLN A 32 4.334 5.086 -2.089 1.00 35.42 H ATOM 452 HG3 GLN A 32 3.703 6.563 -2.818 1.00 4.55 H ATOM 453 HE21 GLN A 32 2.135 3.910 -1.067 1.00 11.44 H ATOM 454 HE22 GLN A 32 1.428 4.904 0.155 1.00 14.22 H ATOM 455 N CYS A 33 3.094 2.669 -5.866 1.00 31.22 N ATOM 456 CA CYS A 33 2.480 1.694 -6.757 1.00 4.23 C ATOM 457 C CYS A 33 1.268 1.042 -6.099 1.00 42.43 C ATOM 458 O CYS A 33 1.377 0.434 -5.033 1.00 3.41 O ATOM 459 CB CYS A 33 3.498 0.622 -7.153 1.00 45.11 C ATOM 460 SG CYS A 33 2.786 -0.772 -8.086 1.00 44.02 S ATOM 461 H CYS A 33 3.846 2.393 -5.299 1.00 11.45 H ATOM 462 HA CYS A 33 2.155 2.215 -7.646 1.00 22.44 H ATOM 463 HB2 CYS A 33 4.263 1.072 -7.769 1.00 21.42 H ATOM 464 HB3 CYS A 33 3.953 0.222 -6.259 1.00 63.41 H ATOM 465 N LEU A 34 0.112 1.172 -6.741 1.00 13.22 N ATOM 466 CA LEU A 34 -1.123 0.595 -6.220 1.00 63.23 C ATOM 467 C LEU A 34 -1.560 -0.604 -7.055 1.00 51.42 C ATOM 468 O LEU A 34 -1.850 -0.472 -8.245 1.00 24.01 O ATOM 469 CB LEU A 34 -2.232 1.648 -6.197 1.00 32.10 C ATOM 470 CG LEU A 34 -1.851 3.011 -5.617 1.00 43.54 C ATOM 471 CD1 LEU A 34 -3.071 3.915 -5.536 1.00 14.04 C ATOM 472 CD2 LEU A 34 -1.214 2.847 -4.244 1.00 70.22 C ATOM 473 H LEU A 34 0.086 1.667 -7.586 1.00 45.35 H ATOM 474 HA LEU A 34 -0.932 0.264 -5.209 1.00 40.11 H ATOM 475 HB2 LEU A 34 -2.561 1.802 -7.214 1.00 35.14 H ATOM 476 HB3 LEU A 34 -3.049 1.253 -5.611 1.00 40.13 H ATOM 477 HG LEU A 34 -1.129 3.484 -6.267 1.00 15.14 H ATOM 478 HD11 LEU A 34 -3.512 3.837 -4.554 1.00 55.34 H ATOM 479 HD12 LEU A 34 -3.793 3.613 -6.280 1.00 25.24 H ATOM 480 HD13 LEU A 34 -2.774 4.937 -5.718 1.00 51.04 H ATOM 481 HD21 LEU A 34 -1.792 2.145 -3.662 1.00 53.03 H ATOM 482 HD22 LEU A 34 -1.195 3.803 -3.741 1.00 13.11 H ATOM 483 HD23 LEU A 34 -0.206 2.478 -4.358 1.00 72.45 H ATOM 484 N CYS A 35 -1.607 -1.773 -6.425 1.00 55.40 N ATOM 485 CA CYS A 35 -2.011 -2.994 -7.109 1.00 1.13 C ATOM 486 C CYS A 35 -3.531 -3.073 -7.231 1.00 11.13 C ATOM 487 O CYS A 35 -4.245 -3.078 -6.229 1.00 45.25 O ATOM 488 CB CYS A 35 -1.486 -4.221 -6.360 1.00 3.52 C ATOM 489 SG CYS A 35 0.278 -4.119 -5.914 1.00 24.35 S ATOM 490 H CYS A 35 -1.364 -1.814 -5.476 1.00 32.23 H ATOM 491 HA CYS A 35 -1.584 -2.978 -8.100 1.00 72.33 H ATOM 492 HB2 CYS A 35 -2.048 -4.343 -5.446 1.00 72.10 H ATOM 493 HB3 CYS A 35 -1.619 -5.096 -6.979 1.00 43.25 H ATOM 494 N ARG A 36 -4.017 -3.134 -8.467 1.00 44.14 N ATOM 495 CA ARG A 36 -5.450 -3.212 -8.721 1.00 13.02 C ATOM 496 C ARG A 36 -6.081 -4.359 -7.937 1.00 4.24 C ATOM 497 O ARG A 36 -6.010 -5.517 -8.348 1.00 54.12 O ATOM 498 CB ARG A 36 -5.716 -3.395 -10.216 1.00 3.14 C ATOM 499 CG ARG A 36 -5.110 -2.303 -11.081 1.00 65.30 C ATOM 500 CD ARG A 36 -5.984 -1.998 -12.288 1.00 44.00 C ATOM 501 NE ARG A 36 -5.296 -2.271 -13.546 1.00 13.52 N ATOM 502 CZ ARG A 36 -5.132 -3.491 -14.045 1.00 42.43 C ATOM 503 NH1 ARG A 36 -5.604 -4.545 -13.394 1.00 55.24 N1+ ATOM 504 NH2 ARG A 36 -4.493 -3.659 -15.196 1.00 4.52 N ATOM 505 H ARG A 36 -3.396 -3.127 -9.226 1.00 31.33 H ATOM 506 HA ARG A 36 -5.895 -2.283 -8.397 1.00 52.22 H ATOM 507 HB2 ARG A 36 -5.302 -4.343 -10.530 1.00 23.53 H ATOM 508 HB3 ARG A 36 -6.783 -3.406 -10.381 1.00 62.10 H ATOM 509 HG2 ARG A 36 -5.005 -1.405 -10.491 1.00 51.50 H ATOM 510 HG3 ARG A 36 -4.138 -2.626 -11.425 1.00 2.40 H ATOM 511 HD2 ARG A 36 -6.872 -2.609 -12.234 1.00 3.43 H ATOM 512 HD3 ARG A 36 -6.262 -0.956 -12.259 1.00 43.42 H ATOM 513 HE ARG A 36 -4.938 -1.506 -14.043 1.00 5.53 H ATOM 514 HH11 ARG A 36 -6.087 -4.422 -12.527 1.00 32.41 H ATOM 515 HH12 ARG A 36 -5.480 -5.463 -13.772 1.00 50.15 H ATOM 516 HH21 ARG A 36 -4.135 -2.867 -15.689 1.00 24.15 H ATOM 517 HH22 ARG A 36 -4.370 -4.578 -15.570 1.00 1.54 H