ATOM 1 N MET A 1 1.257 -0.119 -0.193 1.00 61.14 N ATOM 2 CA MET A 1 2.184 0.081 -1.300 1.00 54.30 C ATOM 3 C MET A 1 3.290 -0.969 -1.282 1.00 10.41 C ATOM 4 O MET A 1 4.093 -1.022 -0.350 1.00 3.43 O ATOM 5 CB MET A 1 2.794 1.483 -1.236 1.00 20.22 C ATOM 6 CG MET A 1 3.451 1.798 0.098 1.00 1.40 C ATOM 7 SD MET A 1 3.902 3.537 0.256 1.00 51.55 S ATOM 8 CE MET A 1 5.524 3.537 -0.504 1.00 35.22 C ATOM 9 H MET A 1 0.800 0.657 0.194 1.00 74.14 H ATOM 10 HA MET A 1 1.627 -0.017 -2.220 1.00 15.40 H ATOM 11 HB2 MET A 1 3.541 1.573 -2.011 1.00 4.54 H ATOM 12 HB3 MET A 1 2.015 2.210 -1.410 1.00 14.14 H ATOM 13 HG2 MET A 1 2.763 1.546 0.891 1.00 54.45 H ATOM 14 HG3 MET A 1 4.344 1.198 0.194 1.00 12.20 H ATOM 15 HE1 MET A 1 6.088 4.385 -0.147 1.00 22.11 H ATOM 16 HE2 MET A 1 6.042 2.625 -0.244 1.00 11.55 H ATOM 17 HE3 MET A 1 5.419 3.599 -1.577 1.00 61.33 H ATOM 18 N CYS A 2 3.325 -1.804 -2.314 1.00 65.22 N ATOM 19 CA CYS A 2 4.333 -2.853 -2.416 1.00 20.05 C ATOM 20 C CYS A 2 5.706 -2.262 -2.717 1.00 4.54 C ATOM 21 O CYS A 2 6.725 -2.759 -2.237 1.00 4.35 O ATOM 22 CB CYS A 2 3.947 -3.855 -3.506 1.00 63.23 C ATOM 23 SG CYS A 2 4.928 -5.390 -3.486 1.00 13.21 S ATOM 24 H CYS A 2 2.658 -1.711 -3.027 1.00 75.25 H ATOM 25 HA CYS A 2 4.375 -3.366 -1.468 1.00 54.14 H ATOM 26 HB2 CYS A 2 2.909 -4.128 -3.383 1.00 13.22 H ATOM 27 HB3 CYS A 2 4.080 -3.392 -4.474 1.00 71.35 H ATOM 28 N MET A 3 5.725 -1.197 -3.512 1.00 45.01 N ATOM 29 CA MET A 3 6.974 -0.537 -3.874 1.00 52.23 C ATOM 30 C MET A 3 6.711 0.868 -4.408 1.00 23.10 C ATOM 31 O MET A 3 5.634 1.172 -4.920 1.00 20.11 O ATOM 32 CB MET A 3 7.725 -1.360 -4.923 1.00 74.12 C ATOM 33 CG MET A 3 7.180 -1.194 -6.332 1.00 63.41 C ATOM 34 SD MET A 3 8.100 -2.152 -7.551 1.00 2.44 S ATOM 35 CE MET A 3 9.763 -1.546 -7.273 1.00 45.55 C ATOM 36 H MET A 3 4.880 -0.846 -3.863 1.00 0.44 H ATOM 37 HA MET A 3 7.581 -0.464 -2.985 1.00 70.35 H ATOM 38 HB2 MET A 3 8.762 -1.059 -4.924 1.00 63.13 H ATOM 39 HB3 MET A 3 7.662 -2.405 -4.657 1.00 23.14 H ATOM 40 HG2 MET A 3 6.150 -1.517 -6.345 1.00 53.32 H ATOM 41 HG3 MET A 3 7.231 -0.149 -6.601 1.00 1.24 H ATOM 42 HE1 MET A 3 10.273 -2.197 -6.577 1.00 21.34 H ATOM 43 HE2 MET A 3 10.301 -1.527 -8.209 1.00 61.54 H ATOM 44 HE3 MET A 3 9.717 -0.547 -6.863 1.00 63.45 H ATOM 45 N PRO A 4 7.717 1.746 -4.285 1.00 22.41 N ATOM 46 CA PRO A 4 7.618 3.134 -4.748 1.00 23.31 C ATOM 47 C PRO A 4 7.585 3.236 -6.270 1.00 1.05 C ATOM 48 O PRO A 4 8.443 2.682 -6.958 1.00 42.21 O ATOM 49 CB PRO A 4 8.889 3.784 -4.197 1.00 25.11 C ATOM 50 CG PRO A 4 9.854 2.659 -4.042 1.00 51.45 C ATOM 51 CD PRO A 4 9.029 1.454 -3.684 1.00 11.41 C ATOM 52 HA PRO A 4 6.751 3.628 -4.337 1.00 24.43 H ATOM 53 HB2 PRO A 4 9.252 4.523 -4.898 1.00 61.33 H ATOM 54 HB3 PRO A 4 8.675 4.254 -3.249 1.00 71.44 H ATOM 55 HG2 PRO A 4 10.377 2.493 -4.970 1.00 72.30 H ATOM 56 HG3 PRO A 4 10.553 2.882 -3.249 1.00 34.11 H ATOM 57 HD2 PRO A 4 9.460 0.561 -4.114 1.00 15.24 H ATOM 58 HD3 PRO A 4 8.949 1.356 -2.611 1.00 72.12 H ATOM 59 N CYS A 5 6.591 3.946 -6.789 1.00 4.23 N ATOM 60 CA CYS A 5 6.445 4.121 -8.229 1.00 74.20 C ATOM 61 C CYS A 5 6.904 5.512 -8.657 1.00 64.10 C ATOM 62 O CYS A 5 7.160 6.378 -7.821 1.00 15.51 O ATOM 63 CB CYS A 5 4.989 3.902 -8.646 1.00 42.42 C ATOM 64 SG CYS A 5 4.794 3.049 -10.245 1.00 30.21 S ATOM 65 H CYS A 5 5.937 4.365 -6.189 1.00 1.03 H ATOM 66 HA CYS A 5 7.065 3.385 -8.717 1.00 23.14 H ATOM 67 HB2 CYS A 5 4.494 3.306 -7.894 1.00 54.03 H ATOM 68 HB3 CYS A 5 4.497 4.859 -8.722 1.00 14.14 H ATOM 69 N PHE A 6 7.006 5.719 -9.966 1.00 61.31 N ATOM 70 CA PHE A 6 7.434 7.004 -10.506 1.00 11.13 C ATOM 71 C PHE A 6 6.719 7.308 -11.819 1.00 22.31 C ATOM 72 O PHE A 6 6.810 6.545 -12.782 1.00 51.14 O ATOM 73 CB PHE A 6 8.949 7.009 -10.725 1.00 13.01 C ATOM 74 CG PHE A 6 9.738 7.068 -9.449 1.00 63.40 C ATOM 75 CD1 PHE A 6 10.222 8.276 -8.973 1.00 51.33 C ATOM 76 CD2 PHE A 6 9.997 5.914 -8.725 1.00 31.31 C ATOM 77 CE1 PHE A 6 10.950 8.331 -7.799 1.00 4.43 C ATOM 78 CE2 PHE A 6 10.724 5.964 -7.550 1.00 22.35 C ATOM 79 CZ PHE A 6 11.200 7.174 -7.086 1.00 34.35 C ATOM 80 H PHE A 6 6.787 4.989 -10.584 1.00 73.13 H ATOM 81 HA PHE A 6 7.181 7.766 -9.786 1.00 73.55 H ATOM 82 HB2 PHE A 6 9.233 6.109 -11.250 1.00 11.14 H ATOM 83 HB3 PHE A 6 9.216 7.868 -11.322 1.00 15.01 H ATOM 84 HD1 PHE A 6 10.027 9.181 -9.528 1.00 4.32 H ATOM 85 HD2 PHE A 6 9.624 4.966 -9.088 1.00 2.12 H ATOM 86 HE1 PHE A 6 11.321 9.279 -7.438 1.00 62.43 H ATOM 87 HE2 PHE A 6 10.917 5.057 -6.996 1.00 62.21 H ATOM 88 HZ PHE A 6 11.769 7.216 -6.170 1.00 51.43 H ATOM 89 N THR A 7 6.005 8.429 -11.851 1.00 52.30 N ATOM 90 CA THR A 7 5.271 8.834 -13.043 1.00 12.52 C ATOM 91 C THR A 7 6.223 9.223 -14.168 1.00 73.14 C ATOM 92 O THR A 7 5.955 8.962 -15.342 1.00 53.32 O ATOM 93 CB THR A 7 4.330 10.018 -12.749 1.00 60.31 C ATOM 94 OG1 THR A 7 3.597 10.366 -13.929 1.00 62.32 O ATOM 95 CG2 THR A 7 5.117 11.226 -12.260 1.00 21.32 C ATOM 96 H THR A 7 5.971 8.995 -11.052 1.00 2.23 H ATOM 97 HA THR A 7 4.670 7.996 -13.367 1.00 25.02 H ATOM 98 HB THR A 7 3.636 9.722 -11.976 1.00 13.03 H ATOM 99 HG1 THR A 7 2.708 10.006 -13.871 1.00 50.10 H ATOM 100 HG21 THR A 7 4.517 11.787 -11.560 1.00 33.24 H ATOM 101 HG22 THR A 7 5.372 11.853 -13.101 1.00 1.34 H ATOM 102 HG23 THR A 7 6.021 10.892 -11.773 1.00 63.31 H ATOM 103 N THR A 8 7.337 9.851 -13.804 1.00 1.00 N ATOM 104 CA THR A 8 8.329 10.277 -14.783 1.00 60.33 C ATOM 105 C THR A 8 9.090 9.082 -15.350 1.00 53.42 C ATOM 106 O THR A 8 9.657 9.158 -16.441 1.00 64.45 O ATOM 107 CB THR A 8 9.336 11.266 -14.169 1.00 54.50 C ATOM 108 OG1 THR A 8 9.987 10.668 -13.041 1.00 44.03 O ATOM 109 CG2 THR A 8 8.639 12.549 -13.737 1.00 4.11 C ATOM 110 H THR A 8 7.494 10.031 -12.854 1.00 15.32 H ATOM 111 HA THR A 8 7.811 10.776 -15.588 1.00 2.23 H ATOM 112 HB THR A 8 10.079 11.511 -14.915 1.00 41.13 H ATOM 113 HG1 THR A 8 9.478 10.846 -12.247 1.00 42.43 H ATOM 114 HG21 THR A 8 9.320 13.381 -13.841 1.00 54.43 H ATOM 115 HG22 THR A 8 8.333 12.461 -12.705 1.00 2.14 H ATOM 116 HG23 THR A 8 7.773 12.713 -14.358 1.00 74.13 H ATOM 117 N ASP A 9 9.096 7.983 -14.605 1.00 21.34 N ATOM 118 CA ASP A 9 9.786 6.773 -15.035 1.00 12.04 C ATOM 119 C ASP A 9 8.854 5.874 -15.842 1.00 61.42 C ATOM 120 O ASP A 9 7.718 5.619 -15.441 1.00 12.44 O ATOM 121 CB ASP A 9 10.327 6.011 -13.825 1.00 52.22 C ATOM 122 CG ASP A 9 11.290 6.843 -13.000 1.00 4.24 C ATOM 123 OD1 ASP A 9 11.761 6.343 -11.957 1.00 2.11 O ATOM 124 OD2 ASP A 9 11.570 7.993 -13.396 1.00 44.10 O1- ATOM 125 H ASP A 9 8.625 7.986 -13.745 1.00 2.15 H ATOM 126 HA ASP A 9 10.614 7.067 -15.662 1.00 55.21 H ATOM 127 HB2 ASP A 9 9.500 5.718 -13.193 1.00 2.03 H ATOM 128 HB3 ASP A 9 10.844 5.126 -14.165 1.00 52.11 H ATOM 129 N HIS A 10 9.342 5.397 -16.984 1.00 43.01 N ATOM 130 CA HIS A 10 8.552 4.526 -17.847 1.00 62.24 C ATOM 131 C HIS A 10 8.837 3.058 -17.547 1.00 53.43 C ATOM 132 O HIS A 10 7.942 2.217 -17.617 1.00 31.54 O ATOM 133 CB HIS A 10 8.851 4.826 -19.317 1.00 31.21 C ATOM 134 CG HIS A 10 7.755 4.408 -20.248 1.00 13.22 C ATOM 135 ND1 HIS A 10 6.730 5.247 -20.627 1.00 61.15 N ATOM 136 CD2 HIS A 10 7.529 3.231 -20.878 1.00 41.34 C ATOM 137 CE1 HIS A 10 5.918 4.605 -21.449 1.00 72.53 C ATOM 138 NE2 HIS A 10 6.382 3.379 -21.618 1.00 64.11 N ATOM 139 H HIS A 10 10.254 5.635 -17.250 1.00 40.51 H ATOM 140 HA HIS A 10 7.509 4.725 -17.654 1.00 21.14 H ATOM 141 HB2 HIS A 10 9.002 5.888 -19.438 1.00 15.41 H ATOM 142 HB3 HIS A 10 9.752 4.304 -19.608 1.00 4.24 H ATOM 143 HD1 HIS A 10 6.612 6.175 -20.336 1.00 3.22 H ATOM 144 HD2 HIS A 10 8.137 2.340 -20.812 1.00 74.25 H ATOM 145 HE1 HIS A 10 5.028 5.012 -21.906 1.00 61.01 H ATOM 146 N GLN A 11 10.088 2.760 -17.212 1.00 53.33 N ATOM 147 CA GLN A 11 10.490 1.392 -16.902 1.00 74.14 C ATOM 148 C GLN A 11 10.128 1.031 -15.465 1.00 32.21 C ATOM 149 O GLN A 11 10.125 -0.141 -15.092 1.00 21.34 O ATOM 150 CB GLN A 11 11.994 1.219 -17.120 1.00 43.54 C ATOM 151 CG GLN A 11 12.844 2.146 -16.266 1.00 43.54 C ATOM 152 CD GLN A 11 13.199 3.435 -16.981 1.00 64.12 C ATOM 153 OE1 GLN A 11 13.198 3.497 -18.211 1.00 53.20 O ATOM 154 NE2 GLN A 11 13.506 4.473 -16.213 1.00 34.11 N ATOM 155 H GLN A 11 10.757 3.475 -17.173 1.00 21.03 H ATOM 156 HA GLN A 11 9.960 0.732 -17.571 1.00 15.23 H ATOM 157 HB2 GLN A 11 12.265 0.200 -16.886 1.00 73.33 H ATOM 158 HB3 GLN A 11 12.220 1.413 -18.158 1.00 24.02 H ATOM 159 HG2 GLN A 11 12.296 2.391 -15.368 1.00 63.04 H ATOM 160 HG3 GLN A 11 13.758 1.634 -16.002 1.00 63.33 H ATOM 161 HE21 GLN A 11 13.487 4.350 -15.240 1.00 15.12 H ATOM 162 HE22 GLN A 11 13.740 5.318 -16.649 1.00 62.42 H ATOM 163 N MET A 12 9.823 2.046 -14.663 1.00 45.43 N ATOM 164 CA MET A 12 9.459 1.835 -13.268 1.00 41.10 C ATOM 165 C MET A 12 8.177 1.015 -13.159 1.00 14.12 C ATOM 166 O MET A 12 8.061 0.137 -12.305 1.00 20.41 O ATOM 167 CB MET A 12 9.281 3.178 -12.556 1.00 13.42 C ATOM 168 CG MET A 12 8.878 3.042 -11.096 1.00 3.42 C ATOM 169 SD MET A 12 10.213 2.408 -10.064 1.00 34.23 S ATOM 170 CE MET A 12 9.372 1.088 -9.194 1.00 44.15 C ATOM 171 H MET A 12 9.843 2.961 -15.019 1.00 23.24 H ATOM 172 HA MET A 12 10.261 1.290 -12.795 1.00 24.11 H ATOM 173 HB2 MET A 12 10.212 3.722 -12.601 1.00 10.25 H ATOM 174 HB3 MET A 12 8.516 3.744 -13.066 1.00 64.23 H ATOM 175 HG2 MET A 12 8.586 4.013 -10.725 1.00 14.24 H ATOM 176 HG3 MET A 12 8.038 2.367 -11.030 1.00 32.30 H ATOM 177 HE1 MET A 12 8.377 1.410 -8.926 1.00 33.32 H ATOM 178 HE2 MET A 12 9.309 0.219 -9.833 1.00 73.40 H ATOM 179 HE3 MET A 12 9.923 0.838 -8.300 1.00 50.41 H ATOM 180 N ALA A 13 7.217 1.307 -14.030 1.00 20.32 N ATOM 181 CA ALA A 13 5.944 0.596 -14.033 1.00 61.02 C ATOM 182 C ALA A 13 6.159 -0.913 -14.085 1.00 65.44 C ATOM 183 O ALA A 13 5.405 -1.679 -13.486 1.00 61.00 O ATOM 184 CB ALA A 13 5.088 1.050 -15.205 1.00 41.50 C ATOM 185 H ALA A 13 7.368 2.018 -14.688 1.00 54.24 H ATOM 186 HA ALA A 13 5.422 0.843 -13.120 1.00 40.02 H ATOM 187 HB1 ALA A 13 4.365 1.776 -14.862 1.00 4.12 H ATOM 188 HB2 ALA A 13 5.718 1.498 -15.958 1.00 21.51 H ATOM 189 HB3 ALA A 13 4.574 0.199 -15.626 1.00 41.25 H ATOM 190 N ARG A 14 7.194 -1.333 -14.807 1.00 61.42 N ATOM 191 CA ARG A 14 7.507 -2.751 -14.939 1.00 4.12 C ATOM 192 C ARG A 14 7.594 -3.419 -13.570 1.00 73.12 C ATOM 193 O ARG A 14 6.934 -4.428 -13.315 1.00 51.32 O ATOM 194 CB ARG A 14 8.824 -2.936 -15.693 1.00 70.30 C ATOM 195 CG ARG A 14 8.930 -4.269 -16.417 1.00 3.53 C ATOM 196 CD ARG A 14 9.769 -4.152 -17.679 1.00 31.05 C ATOM 197 NE ARG A 14 11.190 -4.368 -17.415 1.00 71.02 N ATOM 198 CZ ARG A 14 11.703 -5.542 -17.068 1.00 73.14 C ATOM 199 NH1 ARG A 14 10.916 -6.602 -16.945 1.00 12.21 N1+ ATOM 200 NH2 ARG A 14 13.005 -5.659 -16.843 1.00 43.21 N ATOM 201 H ARG A 14 7.760 -0.675 -15.261 1.00 11.41 H ATOM 202 HA ARG A 14 6.711 -3.216 -15.502 1.00 53.42 H ATOM 203 HB2 ARG A 14 8.922 -2.147 -16.424 1.00 62.34 H ATOM 204 HB3 ARG A 14 9.640 -2.867 -14.990 1.00 32.32 H ATOM 205 HG2 ARG A 14 9.390 -4.990 -15.757 1.00 14.32 H ATOM 206 HG3 ARG A 14 7.939 -4.603 -16.683 1.00 64.15 H ATOM 207 HD2 ARG A 14 9.430 -4.891 -18.391 1.00 2.11 H ATOM 208 HD3 ARG A 14 9.636 -3.164 -18.095 1.00 61.05 H ATOM 209 HE ARG A 14 11.788 -3.597 -17.500 1.00 12.31 H ATOM 210 HH11 ARG A 14 9.935 -6.519 -17.114 1.00 13.11 H ATOM 211 HH12 ARG A 14 11.306 -7.486 -16.685 1.00 54.33 H ATOM 212 HH21 ARG A 14 13.601 -4.862 -16.935 1.00 3.13 H ATOM 213 HH22 ARG A 14 13.391 -6.543 -16.582 1.00 22.33 H ATOM 214 N LYS A 15 8.413 -2.850 -12.691 1.00 53.05 N ATOM 215 CA LYS A 15 8.587 -3.388 -11.347 1.00 32.42 C ATOM 216 C LYS A 15 7.301 -3.259 -10.539 1.00 33.31 C ATOM 217 O LYS A 15 6.926 -4.170 -9.799 1.00 53.12 O ATOM 218 CB LYS A 15 9.728 -2.664 -10.629 1.00 1.14 C ATOM 219 CG LYS A 15 11.086 -2.876 -11.276 1.00 62.52 C ATOM 220 CD LYS A 15 12.039 -1.736 -10.959 1.00 62.43 C ATOM 221 CE LYS A 15 11.847 -0.566 -11.911 1.00 42.23 C ATOM 222 NZ LYS A 15 13.147 0.025 -12.332 1.00 31.31 N1+ ATOM 223 H LYS A 15 8.912 -2.048 -12.953 1.00 5.22 H ATOM 224 HA LYS A 15 8.837 -4.434 -11.439 1.00 12.41 H ATOM 225 HB2 LYS A 15 9.518 -1.605 -10.622 1.00 65.25 H ATOM 226 HB3 LYS A 15 9.779 -3.019 -9.610 1.00 61.53 H ATOM 227 HG2 LYS A 15 11.509 -3.799 -10.909 1.00 44.42 H ATOM 228 HG3 LYS A 15 10.958 -2.938 -12.348 1.00 63.13 H ATOM 229 HD2 LYS A 15 11.858 -1.397 -9.949 1.00 35.34 H ATOM 230 HD3 LYS A 15 13.056 -2.095 -11.042 1.00 43.40 H ATOM 231 HE2 LYS A 15 11.319 -0.914 -12.786 1.00 42.01 H ATOM 232 HE3 LYS A 15 11.260 0.192 -11.415 1.00 31.51 H ATOM 233 HZ1 LYS A 15 13.665 0.377 -11.502 1.00 32.11 H ATOM 234 HZ2 LYS A 15 12.985 0.816 -12.987 1.00 43.32 H ATOM 235 HZ3 LYS A 15 13.729 -0.692 -12.811 1.00 5.34 H ATOM 236 N CYS A 16 6.626 -2.124 -10.685 1.00 3.31 N ATOM 237 CA CYS A 16 5.381 -1.875 -9.969 1.00 42.35 C ATOM 238 C CYS A 16 4.412 -3.041 -10.145 1.00 44.12 C ATOM 239 O CYS A 16 3.754 -3.463 -9.193 1.00 25.33 O ATOM 240 CB CYS A 16 4.733 -0.581 -10.464 1.00 33.01 C ATOM 241 SG CYS A 16 2.993 -0.382 -9.964 1.00 23.31 S ATOM 242 H CYS A 16 6.976 -1.435 -11.289 1.00 60.30 H ATOM 243 HA CYS A 16 5.615 -1.773 -8.921 1.00 65.44 H ATOM 244 HB2 CYS A 16 5.285 0.261 -10.072 1.00 64.11 H ATOM 245 HB3 CYS A 16 4.771 -0.558 -11.543 1.00 1.13 H ATOM 246 N ASP A 17 4.328 -3.555 -11.366 1.00 30.21 N ATOM 247 CA ASP A 17 3.441 -4.672 -11.666 1.00 74.33 C ATOM 248 C ASP A 17 3.991 -5.974 -11.091 1.00 20.44 C ATOM 249 O ASP A 17 3.235 -6.828 -10.628 1.00 54.11 O ATOM 250 CB ASP A 17 3.251 -4.809 -13.178 1.00 61.34 C ATOM 251 CG ASP A 17 2.895 -3.491 -13.837 1.00 41.41 C ATOM 252 OD1 ASP A 17 3.140 -3.351 -15.054 1.00 23.12 O ATOM 253 OD2 ASP A 17 2.371 -2.600 -13.137 1.00 73.12 O1- ATOM 254 H ASP A 17 4.877 -3.175 -12.083 1.00 20.24 H ATOM 255 HA ASP A 17 2.484 -4.469 -11.210 1.00 70.12 H ATOM 256 HB2 ASP A 17 4.167 -5.175 -13.618 1.00 60.14 H ATOM 257 HB3 ASP A 17 2.456 -5.514 -13.372 1.00 43.02 H ATOM 258 N ASP A 18 5.311 -6.119 -11.126 1.00 1.53 N ATOM 259 CA ASP A 18 5.964 -7.316 -10.608 1.00 43.23 C ATOM 260 C ASP A 18 5.711 -7.467 -9.112 1.00 73.15 C ATOM 261 O ASP A 18 5.298 -8.529 -8.645 1.00 70.42 O ATOM 262 CB ASP A 18 7.468 -7.261 -10.882 1.00 12.25 C ATOM 263 CG ASP A 18 8.137 -8.609 -10.701 1.00 72.42 C ATOM 264 OD1 ASP A 18 9.189 -8.663 -10.031 1.00 72.02 O ATOM 265 OD2 ASP A 18 7.610 -9.610 -11.231 1.00 1.52 O1- ATOM 266 H ASP A 18 5.860 -5.401 -11.508 1.00 42.55 H ATOM 267 HA ASP A 18 5.544 -8.169 -11.119 1.00 30.43 H ATOM 268 HB2 ASP A 18 7.630 -6.934 -11.898 1.00 71.53 H ATOM 269 HB3 ASP A 18 7.925 -6.557 -10.203 1.00 23.01 H ATOM 270 N CYS A 19 5.965 -6.399 -8.362 1.00 74.32 N ATOM 271 CA CYS A 19 5.767 -6.413 -6.918 1.00 61.35 C ATOM 272 C CYS A 19 4.351 -6.860 -6.567 1.00 64.12 C ATOM 273 O CYS A 19 4.133 -7.540 -5.564 1.00 71.41 O ATOM 274 CB CYS A 19 6.036 -5.025 -6.332 1.00 12.25 C ATOM 275 SG CYS A 19 6.568 -5.044 -4.591 1.00 61.50 S ATOM 276 H CYS A 19 6.292 -5.580 -8.792 1.00 52.24 H ATOM 277 HA CYS A 19 6.468 -7.115 -6.494 1.00 12.02 H ATOM 278 HB2 CYS A 19 6.814 -4.545 -6.908 1.00 43.44 H ATOM 279 HB3 CYS A 19 5.134 -4.435 -6.395 1.00 44.30 H ATOM 280 N CYS A 20 3.390 -6.472 -7.400 1.00 43.21 N ATOM 281 CA CYS A 20 1.995 -6.831 -7.180 1.00 13.54 C ATOM 282 C CYS A 20 1.773 -8.323 -7.417 1.00 3.21 C ATOM 283 O CYS A 20 0.870 -8.926 -6.840 1.00 31.20 O ATOM 284 CB CYS A 20 1.085 -6.016 -8.099 1.00 71.44 C ATOM 285 SG CYS A 20 1.109 -4.224 -7.771 1.00 62.14 S ATOM 286 H CYS A 20 3.626 -5.931 -8.183 1.00 13.34 H ATOM 287 HA CYS A 20 1.751 -6.604 -6.153 1.00 50.45 H ATOM 288 HB2 CYS A 20 1.394 -6.165 -9.124 1.00 1.51 H ATOM 289 HB3 CYS A 20 0.067 -6.359 -7.982 1.00 54.53 H ATOM 290 N GLY A 21 2.604 -8.910 -8.272 1.00 71.21 N ATOM 291 CA GLY A 21 2.482 -10.324 -8.572 1.00 63.31 C ATOM 292 C GLY A 21 3.259 -10.724 -9.811 1.00 31.25 C ATOM 293 O GLY A 21 4.288 -11.392 -9.720 1.00 4.44 O ATOM 294 H GLY A 21 3.306 -8.378 -8.704 1.00 15.03 H ATOM 295 HA2 GLY A 21 2.851 -10.892 -7.731 1.00 21.32 H ATOM 296 HA3 GLY A 21 1.439 -10.560 -8.723 1.00 45.10 H ATOM 297 N GLY A 22 2.764 -10.315 -10.976 1.00 45.41 N ATOM 298 CA GLY A 22 3.429 -10.645 -12.222 1.00 34.14 C ATOM 299 C GLY A 22 3.202 -9.598 -13.295 1.00 73.32 C ATOM 300 O GLY A 22 2.406 -8.676 -13.116 1.00 61.24 O ATOM 301 H GLY A 22 1.939 -9.784 -10.988 1.00 60.10 H ATOM 302 HA2 GLY A 22 4.489 -10.733 -12.039 1.00 2.10 H ATOM 303 HA3 GLY A 22 3.054 -11.594 -12.577 1.00 24.21 H ATOM 304 N LYS A 23 3.904 -9.739 -14.414 1.00 3.23 N ATOM 305 CA LYS A 23 3.777 -8.799 -15.521 1.00 20.35 C ATOM 306 C LYS A 23 2.314 -8.613 -15.913 1.00 22.43 C ATOM 307 O LYS A 23 1.644 -9.565 -16.312 1.00 2.32 O ATOM 308 CB LYS A 23 4.581 -9.288 -16.729 1.00 72.33 C ATOM 309 CG LYS A 23 4.456 -8.391 -17.947 1.00 64.12 C ATOM 310 CD LYS A 23 5.559 -8.663 -18.956 1.00 52.32 C ATOM 311 CE LYS A 23 5.466 -7.725 -20.150 1.00 45.02 C ATOM 312 NZ LYS A 23 6.660 -7.831 -21.032 1.00 51.44 N1+ ATOM 313 H LYS A 23 4.523 -10.495 -14.498 1.00 3.22 H ATOM 314 HA LYS A 23 4.174 -7.848 -15.197 1.00 40.43 H ATOM 315 HB2 LYS A 23 5.624 -9.342 -16.453 1.00 34.30 H ATOM 316 HB3 LYS A 23 4.237 -10.277 -16.998 1.00 10.51 H ATOM 317 HG2 LYS A 23 3.500 -8.569 -18.418 1.00 33.44 H ATOM 318 HG3 LYS A 23 4.516 -7.358 -17.631 1.00 3.51 H ATOM 319 HD2 LYS A 23 6.516 -8.522 -18.476 1.00 62.25 H ATOM 320 HD3 LYS A 23 5.474 -9.683 -19.303 1.00 13.45 H ATOM 321 HE2 LYS A 23 4.584 -7.975 -20.720 1.00 23.11 H ATOM 322 HE3 LYS A 23 5.385 -6.710 -19.789 1.00 53.04 H ATOM 323 HZ1 LYS A 23 7.439 -7.258 -20.650 1.00 22.05 H ATOM 324 HZ2 LYS A 23 6.431 -7.489 -21.988 1.00 23.14 H ATOM 325 HZ3 LYS A 23 6.971 -8.821 -21.096 1.00 40.52 H ATOM 326 N GLY A 24 1.826 -7.383 -15.795 1.00 4.40 N ATOM 327 CA GLY A 24 0.447 -7.095 -16.142 1.00 75.05 C ATOM 328 C GLY A 24 -0.437 -6.936 -14.921 1.00 42.01 C ATOM 329 O GLY A 24 -1.512 -6.340 -14.997 1.00 52.53 O ATOM 330 H GLY A 24 2.407 -6.663 -15.470 1.00 25.55 H ATOM 331 HA2 GLY A 24 0.414 -6.183 -16.719 1.00 12.33 H ATOM 332 HA3 GLY A 24 0.063 -7.905 -16.746 1.00 2.34 H ATOM 333 N ARG A 25 0.015 -7.472 -13.791 1.00 15.22 N ATOM 334 CA ARG A 25 -0.744 -7.389 -12.550 1.00 10.45 C ATOM 335 C ARG A 25 -0.319 -6.171 -11.733 1.00 52.41 C ATOM 336 O ARG A 25 0.841 -6.045 -11.345 1.00 73.24 O ATOM 337 CB ARG A 25 -0.552 -8.662 -11.723 1.00 71.43 C ATOM 338 CG ARG A 25 -0.580 -9.935 -12.552 1.00 22.35 C ATOM 339 CD ARG A 25 -1.192 -11.091 -11.776 1.00 4.34 C ATOM 340 NE ARG A 25 -1.691 -12.141 -12.660 1.00 25.31 N ATOM 341 CZ ARG A 25 -2.242 -13.269 -12.224 1.00 43.12 C ATOM 342 NH1 ARG A 25 -2.365 -13.491 -10.924 1.00 62.53 N1+ ATOM 343 NH2 ARG A 25 -2.673 -14.176 -13.092 1.00 50.14 N ATOM 344 H ARG A 25 0.878 -7.935 -13.794 1.00 43.44 H ATOM 345 HA ARG A 25 -1.788 -7.290 -12.804 1.00 53.35 H ATOM 346 HB2 ARG A 25 0.401 -8.608 -11.218 1.00 52.51 H ATOM 347 HB3 ARG A 25 -1.339 -8.720 -10.985 1.00 44.52 H ATOM 348 HG2 ARG A 25 -1.168 -9.762 -13.441 1.00 71.44 H ATOM 349 HG3 ARG A 25 0.430 -10.195 -12.830 1.00 42.22 H ATOM 350 HD2 ARG A 25 -0.438 -11.510 -11.125 1.00 43.41 H ATOM 351 HD3 ARG A 25 -2.011 -10.715 -11.180 1.00 72.52 H ATOM 352 HE ARG A 25 -1.611 -11.997 -13.625 1.00 71.42 H ATOM 353 HH11 ARG A 25 -2.042 -12.809 -10.267 1.00 14.34 H ATOM 354 HH12 ARG A 25 -2.781 -14.340 -10.597 1.00 2.50 H ATOM 355 HH21 ARG A 25 -2.582 -14.012 -14.073 1.00 12.23 H ATOM 356 HH22 ARG A 25 -3.088 -15.024 -12.763 1.00 22.24 H ATOM 357 N GLY A 26 -1.269 -5.276 -11.477 1.00 12.23 N ATOM 358 CA GLY A 26 -0.973 -4.080 -10.710 1.00 3.25 C ATOM 359 C GLY A 26 -1.142 -2.813 -11.524 1.00 24.32 C ATOM 360 O GLY A 26 -1.496 -2.865 -12.702 1.00 11.13 O ATOM 361 H GLY A 26 -2.178 -5.429 -11.812 1.00 43.32 H ATOM 362 HA2 GLY A 26 -1.636 -4.040 -9.858 1.00 32.44 H ATOM 363 HA3 GLY A 26 0.046 -4.135 -10.358 1.00 64.11 H ATOM 364 N LYS A 27 -0.890 -1.670 -10.895 1.00 24.11 N ATOM 365 CA LYS A 27 -1.016 -0.382 -11.567 1.00 32.04 C ATOM 366 C LYS A 27 -0.175 0.681 -10.869 1.00 61.25 C ATOM 367 O LYS A 27 0.078 0.596 -9.666 1.00 41.23 O ATOM 368 CB LYS A 27 -2.482 0.056 -11.605 1.00 32.44 C ATOM 369 CG LYS A 27 -2.889 0.707 -12.914 1.00 22.41 C ATOM 370 CD LYS A 27 -4.322 0.365 -13.286 1.00 55.25 C ATOM 371 CE LYS A 27 -4.401 -0.946 -14.053 1.00 3.41 C ATOM 372 NZ LYS A 27 -5.804 -1.302 -14.400 1.00 54.24 N1+ ATOM 373 H LYS A 27 -0.612 -1.693 -9.955 1.00 41.42 H ATOM 374 HA LYS A 27 -0.659 -0.500 -12.579 1.00 61.03 H ATOM 375 HB2 LYS A 27 -3.109 -0.810 -11.447 1.00 64.22 H ATOM 376 HB3 LYS A 27 -2.654 0.763 -10.806 1.00 21.32 H ATOM 377 HG2 LYS A 27 -2.801 1.779 -12.816 1.00 34.13 H ATOM 378 HG3 LYS A 27 -2.231 0.360 -13.698 1.00 32.04 H ATOM 379 HD2 LYS A 27 -4.908 0.275 -12.382 1.00 4.44 H ATOM 380 HD3 LYS A 27 -4.725 1.157 -13.900 1.00 42.23 H ATOM 381 HE2 LYS A 27 -3.828 -0.850 -14.962 1.00 23.42 H ATOM 382 HE3 LYS A 27 -3.980 -1.732 -13.443 1.00 60.13 H ATOM 383 HZ1 LYS A 27 -6.355 -1.471 -13.534 1.00 33.13 H ATOM 384 HZ2 LYS A 27 -5.822 -2.165 -14.982 1.00 74.00 H ATOM 385 HZ3 LYS A 27 -6.249 -0.528 -14.934 1.00 22.22 H ATOM 386 N CYS A 28 0.256 1.682 -11.629 1.00 33.30 N ATOM 387 CA CYS A 28 1.069 2.762 -11.084 1.00 64.20 C ATOM 388 C CYS A 28 0.241 4.034 -10.916 1.00 13.13 C ATOM 389 O CYS A 28 -0.129 4.680 -11.897 1.00 62.20 O ATOM 390 CB CYS A 28 2.267 3.037 -11.995 1.00 65.11 C ATOM 391 SG CYS A 28 3.492 4.185 -11.286 1.00 14.21 S ATOM 392 H CYS A 28 0.023 1.694 -12.582 1.00 41.24 H ATOM 393 HA CYS A 28 1.428 2.451 -10.115 1.00 44.02 H ATOM 394 HB2 CYS A 28 2.773 2.106 -12.202 1.00 14.45 H ATOM 395 HB3 CYS A 28 1.915 3.463 -12.921 1.00 4.33 H ATOM 396 N TYR A 29 -0.044 4.387 -9.668 1.00 12.13 N ATOM 397 CA TYR A 29 -0.828 5.579 -9.371 1.00 54.10 C ATOM 398 C TYR A 29 -0.094 6.484 -8.388 1.00 74.01 C ATOM 399 O TYR A 29 0.016 6.175 -7.203 1.00 21.41 O ATOM 400 CB TYR A 29 -2.192 5.187 -8.799 1.00 42.54 C ATOM 401 CG TYR A 29 -3.119 4.561 -9.816 1.00 45.23 C ATOM 402 CD1 TYR A 29 -3.554 3.249 -9.674 1.00 34.12 C ATOM 403 CD2 TYR A 29 -3.559 5.281 -10.920 1.00 62.43 C ATOM 404 CE1 TYR A 29 -4.399 2.672 -10.601 1.00 13.32 C ATOM 405 CE2 TYR A 29 -4.407 4.714 -11.851 1.00 31.12 C ATOM 406 CZ TYR A 29 -4.824 3.408 -11.688 1.00 13.41 C ATOM 407 OH TYR A 29 -5.668 2.838 -12.614 1.00 30.43 O ATOM 408 H TYR A 29 0.279 3.831 -8.928 1.00 31.15 H ATOM 409 HA TYR A 29 -0.979 6.116 -10.297 1.00 62.24 H ATOM 410 HB2 TYR A 29 -2.049 4.477 -7.999 1.00 4.12 H ATOM 411 HB3 TYR A 29 -2.677 6.070 -8.407 1.00 4.13 H ATOM 412 HD1 TYR A 29 -3.219 2.675 -8.822 1.00 34.10 H ATOM 413 HD2 TYR A 29 -3.231 6.303 -11.045 1.00 55.44 H ATOM 414 HE1 TYR A 29 -4.727 1.651 -10.474 1.00 64.52 H ATOM 415 HE2 TYR A 29 -4.739 5.289 -12.702 1.00 70.25 H ATOM 416 HH TYR A 29 -5.837 3.466 -13.320 1.00 34.11 H ATOM 417 N GLY A 30 0.409 7.608 -8.892 1.00 73.23 N ATOM 418 CA GLY A 30 1.128 8.543 -8.047 1.00 75.55 C ATOM 419 C GLY A 30 2.535 8.076 -7.732 1.00 55.41 C ATOM 420 O GLY A 30 3.120 7.268 -8.452 1.00 44.54 O ATOM 421 H GLY A 30 0.291 7.803 -9.846 1.00 55.31 H ATOM 422 HA2 GLY A 30 1.181 9.499 -8.548 1.00 23.51 H ATOM 423 HA3 GLY A 30 0.585 8.664 -7.120 1.00 4.20 H ATOM 424 N PRO A 31 3.102 8.595 -6.631 1.00 73.33 N ATOM 425 CA PRO A 31 4.457 8.241 -6.198 1.00 43.14 C ATOM 426 C PRO A 31 4.547 6.806 -5.689 1.00 12.34 C ATOM 427 O PRO A 31 5.631 6.226 -5.630 1.00 71.01 O ATOM 428 CB PRO A 31 4.736 9.230 -5.063 1.00 11.54 C ATOM 429 CG PRO A 31 3.390 9.597 -4.541 1.00 21.14 C ATOM 430 CD PRO A 31 2.464 9.564 -5.726 1.00 72.01 C ATOM 431 HA PRO A 31 5.178 8.386 -6.989 1.00 2.41 H ATOM 432 HB2 PRO A 31 5.337 8.750 -4.304 1.00 63.31 H ATOM 433 HB3 PRO A 31 5.257 10.092 -5.452 1.00 63.04 H ATOM 434 HG2 PRO A 31 3.075 8.879 -3.799 1.00 34.33 H ATOM 435 HG3 PRO A 31 3.419 10.590 -4.117 1.00 30.22 H ATOM 436 HD2 PRO A 31 1.483 9.225 -5.428 1.00 4.13 H ATOM 437 HD3 PRO A 31 2.405 10.539 -6.186 1.00 34.24 H ATOM 438 N GLN A 32 3.402 6.241 -5.322 1.00 24.42 N ATOM 439 CA GLN A 32 3.353 4.873 -4.817 1.00 72.22 C ATOM 440 C GLN A 32 2.656 3.951 -5.812 1.00 34.31 C ATOM 441 O GLN A 32 1.780 4.379 -6.564 1.00 54.23 O ATOM 442 CB GLN A 32 2.629 4.830 -3.470 1.00 24.33 C ATOM 443 CG GLN A 32 3.273 5.703 -2.406 1.00 54.33 C ATOM 444 CD GLN A 32 2.326 6.031 -1.269 1.00 11.12 C ATOM 445 OE1 GLN A 32 1.134 5.726 -1.331 1.00 63.11 O ATOM 446 NE2 GLN A 32 2.851 6.656 -0.221 1.00 54.22 N ATOM 447 H GLN A 32 2.571 6.754 -5.392 1.00 31.43 H ATOM 448 HA GLN A 32 4.368 4.534 -4.681 1.00 24.43 H ATOM 449 HB2 GLN A 32 1.611 5.162 -3.611 1.00 14.54 H ATOM 450 HB3 GLN A 32 2.620 3.811 -3.112 1.00 42.10 H ATOM 451 HG2 GLN A 32 4.129 5.184 -2.002 1.00 35.42 H ATOM 452 HG3 GLN A 32 3.596 6.627 -2.863 1.00 4.55 H ATOM 453 HE21 GLN A 32 3.808 6.869 -0.242 1.00 11.44 H ATOM 454 HE22 GLN A 32 2.262 6.881 0.528 1.00 14.22 H ATOM 455 N CYS A 33 3.052 2.682 -5.811 1.00 31.22 N ATOM 456 CA CYS A 33 2.466 1.698 -6.714 1.00 4.23 C ATOM 457 C CYS A 33 1.261 1.020 -6.070 1.00 42.43 C ATOM 458 O CYS A 33 1.380 0.374 -5.028 1.00 3.41 O ATOM 459 CB CYS A 33 3.510 0.648 -7.102 1.00 45.11 C ATOM 460 SG CYS A 33 2.829 -0.772 -8.019 1.00 44.02 S ATOM 461 H CYS A 33 3.755 2.401 -5.188 1.00 11.45 H ATOM 462 HA CYS A 33 2.141 2.216 -7.604 1.00 22.44 H ATOM 463 HB2 CYS A 33 4.260 1.111 -7.726 1.00 21.42 H ATOM 464 HB3 CYS A 33 3.978 0.268 -6.206 1.00 63.41 H ATOM 465 N LEU A 34 0.100 1.169 -6.699 1.00 13.22 N ATOM 466 CA LEU A 34 -1.129 0.572 -6.189 1.00 63.23 C ATOM 467 C LEU A 34 -1.546 -0.624 -7.039 1.00 51.42 C ATOM 468 O LEU A 34 -1.783 -0.493 -8.240 1.00 24.01 O ATOM 469 CB LEU A 34 -2.253 1.610 -6.163 1.00 32.10 C ATOM 470 CG LEU A 34 -1.869 3.001 -5.656 1.00 43.54 C ATOM 471 CD1 LEU A 34 -3.075 3.927 -5.676 1.00 14.04 C ATOM 472 CD2 LEU A 34 -1.284 2.914 -4.254 1.00 70.22 C ATOM 473 H LEU A 34 0.067 1.695 -7.525 1.00 45.35 H ATOM 474 HA LEU A 34 -0.940 0.233 -5.181 1.00 40.11 H ATOM 475 HB2 LEU A 34 -2.627 1.717 -7.169 1.00 35.14 H ATOM 476 HB3 LEU A 34 -3.038 1.230 -5.526 1.00 40.13 H ATOM 477 HG LEU A 34 -1.116 3.419 -6.309 1.00 15.14 H ATOM 478 HD11 LEU A 34 -3.634 3.770 -6.587 1.00 55.34 H ATOM 479 HD12 LEU A 34 -2.741 4.953 -5.630 1.00 25.24 H ATOM 480 HD13 LEU A 34 -3.706 3.715 -4.825 1.00 51.04 H ATOM 481 HD21 LEU A 34 -1.911 3.465 -3.568 1.00 53.03 H ATOM 482 HD22 LEU A 34 -0.290 3.339 -4.253 1.00 13.11 H ATOM 483 HD23 LEU A 34 -1.234 1.880 -3.947 1.00 72.45 H ATOM 484 N CYS A 35 -1.636 -1.790 -6.408 1.00 55.40 N ATOM 485 CA CYS A 35 -2.027 -3.010 -7.104 1.00 1.13 C ATOM 486 C CYS A 35 -3.543 -3.085 -7.261 1.00 11.13 C ATOM 487 O CYS A 35 -4.289 -2.547 -6.443 1.00 45.25 O ATOM 488 CB CYS A 35 -1.518 -4.239 -6.348 1.00 3.52 C ATOM 489 SG CYS A 35 0.248 -4.163 -5.909 1.00 24.35 S ATOM 490 H CYS A 35 -1.435 -1.831 -5.449 1.00 32.23 H ATOM 491 HA CYS A 35 -1.577 -2.990 -8.085 1.00 72.33 H ATOM 492 HB2 CYS A 35 -2.080 -4.345 -5.432 1.00 72.10 H ATOM 493 HB3 CYS A 35 -1.669 -5.116 -6.960 1.00 43.25 H ATOM 494 N ARG A 36 -3.991 -3.757 -8.316 1.00 44.14 N ATOM 495 CA ARG A 36 -5.417 -3.903 -8.580 1.00 13.02 C ATOM 496 C ARG A 36 -6.008 -5.046 -7.759 1.00 4.24 C ATOM 497 O ARG A 36 -5.319 -5.657 -6.942 1.00 54.12 O ATOM 498 CB ARG A 36 -5.659 -4.153 -10.070 1.00 3.14 C ATOM 499 CG ARG A 36 -5.021 -5.434 -10.585 1.00 65.30 C ATOM 500 CD ARG A 36 -5.698 -5.921 -11.855 1.00 44.00 C ATOM 501 NE ARG A 36 -7.019 -6.484 -11.590 1.00 13.52 N ATOM 502 CZ ARG A 36 -7.213 -7.697 -11.085 1.00 42.43 C ATOM 503 NH1 ARG A 36 -6.177 -8.470 -10.792 1.00 55.24 N1+ ATOM 504 NH2 ARG A 36 -8.446 -8.140 -10.872 1.00 4.52 N ATOM 505 H ARG A 36 -3.347 -4.165 -8.933 1.00 31.33 H ATOM 506 HA ARG A 36 -5.903 -2.983 -8.295 1.00 52.22 H ATOM 507 HB2 ARG A 36 -6.723 -4.211 -10.246 1.00 23.53 H ATOM 508 HB3 ARG A 36 -5.254 -3.324 -10.632 1.00 62.10 H ATOM 509 HG2 ARG A 36 -3.978 -5.246 -10.794 1.00 51.50 H ATOM 510 HG3 ARG A 36 -5.106 -6.196 -9.825 1.00 2.40 H ATOM 511 HD2 ARG A 36 -5.803 -5.089 -12.535 1.00 3.43 H ATOM 512 HD3 ARG A 36 -5.078 -6.680 -12.309 1.00 43.42 H ATOM 513 HE ARG A 36 -7.799 -5.930 -11.800 1.00 5.53 H ATOM 514 HH11 ARG A 36 -5.247 -8.140 -10.950 1.00 32.41 H ATOM 515 HH12 ARG A 36 -6.326 -9.383 -10.409 1.00 50.15 H ATOM 516 HH21 ARG A 36 -9.229 -7.560 -11.092 1.00 24.15 H ATOM 517 HH22 ARG A 36 -8.591 -9.053 -10.492 1.00 1.54 H