ATOM 80 N CYS A 5 -3.048 -3.837 -1.167 1.00 0.10 N ATOM 81 CA CYS A 5 -1.665 -3.962 -1.585 1.00 0.12 C ATOM 82 C CYS A 5 -1.354 -5.406 -1.935 1.00 0.17 C ATOM 83 O CYS A 5 -1.137 -6.245 -1.053 1.00 0.19 O ATOM 84 CB CYS A 5 -0.725 -3.482 -0.484 1.00 0.12 C ATOM 85 SG CYS A 5 1.023 -3.705 -0.873 1.00 0.17 S ATOM 86 H CYS A 5 -3.251 -3.769 -0.209 1.00 0.12 H ATOM 87 HA CYS A 5 -1.525 -3.350 -2.462 1.00 0.16 H ATOM 88 HB2 CYS A 5 -0.892 -2.431 -0.305 1.00 0.16 H ATOM 89 HB3 CYS A 5 -0.934 -4.032 0.418 1.00 0.16 H ATOM 90 N THR A 6 -1.322 -5.689 -3.224 1.00 0.27 N ATOM 91 CA THR A 6 -1.074 -7.033 -3.702 1.00 0.35 C ATOM 92 C THR A 6 0.420 -7.298 -3.873 1.00 0.37 C ATOM 93 O THR A 6 0.834 -8.011 -4.785 1.00 0.47 O ATOM 94 CB THR A 6 -1.808 -7.275 -5.033 1.00 0.47 C ATOM 95 OG1 THR A 6 -1.636 -6.143 -5.895 1.00 0.91 O ATOM 96 CG2 THR A 6 -3.293 -7.516 -4.798 1.00 1.03 C ATOM 97 H THR A 6 -1.472 -4.973 -3.877 1.00 0.34 H ATOM 98 HA THR A 6 -1.469 -7.721 -2.969 1.00 0.38 H ATOM 99 HB THR A 6 -1.385 -8.149 -5.506 1.00 0.95 H ATOM 100 HG1 THR A 6 -0.782 -6.204 -6.339 1.00 1.67 H ATOM 101 HG21 THR A 6 -3.725 -6.654 -4.312 1.00 1.85 H ATOM 102 HG22 THR A 6 -3.423 -8.386 -4.172 1.00 1.24 H ATOM 103 HG23 THR A 6 -3.784 -7.679 -5.745 1.00 1.51 H ATOM 104 N TRP A 7 1.231 -6.710 -3.000 1.00 0.31 N ATOM 105 CA TRP A 7 2.659 -6.973 -2.993 1.00 0.37 C ATOM 106 C TRP A 7 2.903 -8.403 -2.538 1.00 0.40 C ATOM 107 O TRP A 7 2.126 -8.941 -1.746 1.00 0.54 O ATOM 108 CB TRP A 7 3.384 -5.992 -2.069 1.00 0.39 C ATOM 109 CG TRP A 7 4.877 -6.100 -2.132 1.00 0.49 C ATOM 110 CD1 TRP A 7 5.676 -6.903 -1.371 1.00 0.60 C ATOM 111 CD2 TRP A 7 5.748 -5.376 -3.002 1.00 0.51 C ATOM 112 NE1 TRP A 7 6.990 -6.727 -1.722 1.00 0.66 N ATOM 113 CE2 TRP A 7 7.062 -5.790 -2.718 1.00 0.61 C ATOM 114 CE3 TRP A 7 5.543 -4.417 -3.995 1.00 0.51 C ATOM 115 CZ2 TRP A 7 8.166 -5.278 -3.394 1.00 0.68 C ATOM 116 CZ3 TRP A 7 6.639 -3.908 -4.664 1.00 0.61 C ATOM 117 CH2 TRP A 7 7.936 -4.339 -4.360 1.00 0.67 C ATOM 118 H TRP A 7 0.856 -6.090 -2.343 1.00 0.30 H ATOM 119 HA TRP A 7 3.028 -6.855 -3.999 1.00 0.41 H ATOM 120 HB2 TRP A 7 3.112 -4.985 -2.340 1.00 0.39 H ATOM 121 HB3 TRP A 7 3.078 -6.179 -1.053 1.00 0.37 H ATOM 122 HD1 TRP A 7 5.311 -7.580 -0.614 1.00 0.65 H ATOM 123 HE1 TRP A 7 7.755 -7.193 -1.320 1.00 0.75 H ATOM 124 HE3 TRP A 7 4.551 -4.072 -4.240 1.00 0.47 H ATOM 125 HZ2 TRP A 7 9.172 -5.600 -3.171 1.00 0.76 H ATOM 126 HZ3 TRP A 7 6.502 -3.165 -5.434 1.00 0.66 H ATOM 127 HH2 TRP A 7 8.761 -3.913 -4.909 1.00 0.75 H ATOM 141 N GLY A 9 3.283 -11.226 -0.713 1.00 0.71 N ATOM 142 CA GLY A 9 3.235 -11.603 0.683 1.00 0.81 C ATOM 143 C GLY A 9 2.820 -10.468 1.598 1.00 0.65 C ATOM 144 O GLY A 9 3.191 -10.452 2.771 1.00 0.80 O ATOM 145 H GLY A 9 2.509 -11.405 -1.288 1.00 0.78 H ATOM 146 HA2 GLY A 9 2.534 -12.416 0.798 1.00 0.97 H ATOM 147 HA3 GLY A 9 4.214 -11.947 0.980 1.00 0.92 H ATOM 148 N CYS A 10 2.062 -9.511 1.075 1.00 0.45 N ATOM 149 CA CYS A 10 1.599 -8.400 1.890 1.00 0.31 C ATOM 150 C CYS A 10 0.098 -8.511 2.167 1.00 0.19 C ATOM 151 O CYS A 10 -0.306 -9.038 3.207 1.00 0.27 O ATOM 152 CB CYS A 10 1.927 -7.075 1.212 1.00 0.28 C ATOM 153 SG CYS A 10 1.708 -5.633 2.275 1.00 0.24 S ATOM 154 H CYS A 10 1.820 -9.546 0.123 1.00 0.46 H ATOM 155 HA CYS A 10 2.124 -8.444 2.830 1.00 0.39 H ATOM 156 HB2 CYS A 10 2.956 -7.090 0.887 1.00 0.39 H ATOM 157 HB3 CYS A 10 1.287 -6.953 0.353 1.00 0.28 H ATOM 158 N GLY A 11 -0.730 -8.034 1.240 1.00 0.15 N ATOM 159 CA GLY A 11 -2.167 -8.105 1.430 1.00 0.16 C ATOM 160 C GLY A 11 -2.678 -7.112 2.460 1.00 0.15 C ATOM 161 O GLY A 11 -3.609 -7.409 3.212 1.00 0.28 O ATOM 162 H GLY A 11 -0.367 -7.642 0.414 1.00 0.22 H ATOM 163 HA2 GLY A 11 -2.649 -7.904 0.487 1.00 0.25 H ATOM 164 HA3 GLY A 11 -2.427 -9.103 1.748 1.00 0.22 H ATOM 165 N LYS A 12 -2.063 -5.940 2.507 1.00 0.11 N ATOM 166 CA LYS A 12 -2.510 -4.873 3.395 1.00 0.15 C ATOM 167 C LYS A 12 -3.635 -4.093 2.715 1.00 0.12 C ATOM 168 O LYS A 12 -3.466 -3.612 1.597 1.00 0.17 O ATOM 169 CB LYS A 12 -1.342 -3.936 3.717 1.00 0.24 C ATOM 170 CG LYS A 12 -1.420 -3.284 5.089 1.00 0.75 C ATOM 171 CD LYS A 12 -1.077 -4.274 6.191 1.00 1.23 C ATOM 172 CE LYS A 12 -0.932 -3.589 7.541 1.00 1.80 C ATOM 173 NZ LYS A 12 -2.206 -2.988 8.012 1.00 2.23 N1+ ATOM 174 H LYS A 12 -1.285 -5.789 1.935 1.00 0.15 H ATOM 175 HA LYS A 12 -2.881 -5.317 4.304 1.00 0.21 H ATOM 176 HB2 LYS A 12 -0.421 -4.499 3.666 1.00 0.68 H ATOM 177 HB3 LYS A 12 -1.311 -3.152 2.975 1.00 0.68 H ATOM 178 HG2 LYS A 12 -0.721 -2.462 5.128 1.00 1.34 H ATOM 179 HG3 LYS A 12 -2.422 -2.915 5.245 1.00 1.16 H ATOM 180 HD2 LYS A 12 -1.862 -5.011 6.257 1.00 1.41 H ATOM 181 HD3 LYS A 12 -0.145 -4.761 5.943 1.00 1.66 H ATOM 182 HE2 LYS A 12 -0.602 -4.318 8.265 1.00 2.19 H ATOM 183 HE3 LYS A 12 -0.188 -2.810 7.453 1.00 2.31 H ATOM 184 HZ1 LYS A 12 -2.958 -3.707 8.031 1.00 2.62 H ATOM 185 HZ2 LYS A 12 -2.497 -2.212 7.383 1.00 2.55 H ATOM 186 HZ3 LYS A 12 -2.087 -2.608 8.972 1.00 2.63 H ATOM 187 N ARG A 13 -4.776 -3.977 3.375 1.00 0.13 N ATOM 188 CA ARG A 13 -5.945 -3.353 2.761 1.00 0.13 C ATOM 189 C ARG A 13 -6.228 -1.974 3.350 1.00 0.12 C ATOM 190 O ARG A 13 -6.104 -1.761 4.556 1.00 0.16 O ATOM 191 CB ARG A 13 -7.173 -4.250 2.916 1.00 0.18 C ATOM 192 CG ARG A 13 -7.029 -5.597 2.233 1.00 0.84 C ATOM 193 CD ARG A 13 -8.307 -6.409 2.337 1.00 0.77 C ATOM 194 NE ARG A 13 -8.199 -7.693 1.644 1.00 1.57 N ATOM 195 CZ ARG A 13 -9.130 -8.178 0.822 1.00 2.12 C ATOM 196 NH1 ARG A 13 -10.235 -7.481 0.571 1.00 1.97 N1+ ATOM 197 NH2 ARG A 13 -8.953 -9.360 0.246 1.00 3.21 N ATOM 198 H ARG A 13 -4.836 -4.309 4.296 1.00 0.18 H ATOM 199 HA ARG A 13 -5.734 -3.236 1.708 1.00 0.13 H ATOM 200 HB2 ARG A 13 -7.351 -4.420 3.968 1.00 0.71 H ATOM 201 HB3 ARG A 13 -8.030 -3.746 2.494 1.00 0.73 H ATOM 202 HG2 ARG A 13 -6.800 -5.440 1.191 1.00 1.32 H ATOM 203 HG3 ARG A 13 -6.226 -6.144 2.703 1.00 1.33 H ATOM 204 HD2 ARG A 13 -8.522 -6.589 3.379 1.00 0.97 H ATOM 205 HD3 ARG A 13 -9.112 -5.841 1.898 1.00 1.41 H ATOM 206 HE ARG A 13 -7.386 -8.227 1.810 1.00 2.13 H ATOM 207 HH11 ARG A 13 -10.934 -7.849 -0.049 1.00 2.51 H ATOM 208 HH12 ARG A 13 -10.377 -6.584 0.999 1.00 1.72 H ATOM 209 HH21 ARG A 13 -8.121 -9.891 0.425 1.00 3.71 H ATOM 210 HH22 ARG A 13 -9.653 -9.732 -0.371 1.00 3.66 H ATOM 211 N PHE A 14 -6.606 -1.045 2.478 1.00 0.11 N ATOM 212 CA PHE A 14 -6.887 0.333 2.859 1.00 0.12 C ATOM 213 C PHE A 14 -8.179 0.803 2.195 1.00 0.14 C ATOM 214 O PHE A 14 -8.746 0.094 1.363 1.00 0.23 O ATOM 215 CB PHE A 14 -5.725 1.230 2.422 1.00 0.15 C ATOM 216 CG PHE A 14 -4.389 0.720 2.864 1.00 0.14 C ATOM 217 CD1 PHE A 14 -3.911 1.004 4.131 1.00 0.22 C ATOM 218 CD2 PHE A 14 -3.609 -0.035 2.009 1.00 0.13 C ATOM 219 CE1 PHE A 14 -2.680 0.543 4.536 1.00 0.25 C ATOM 220 CE2 PHE A 14 -2.376 -0.499 2.408 1.00 0.13 C ATOM 221 CZ PHE A 14 -1.925 -0.234 3.688 1.00 0.19 C ATOM 222 H PHE A 14 -6.685 -1.293 1.530 1.00 0.15 H ATOM 223 HA PHE A 14 -6.994 0.378 3.932 1.00 0.12 H ATOM 224 HB2 PHE A 14 -5.714 1.299 1.345 1.00 0.16 H ATOM 225 HB3 PHE A 14 -5.859 2.215 2.841 1.00 0.19 H ATOM 226 HD1 PHE A 14 -4.512 1.597 4.803 1.00 0.28 H ATOM 227 HD2 PHE A 14 -3.975 -0.259 1.018 1.00 0.17 H ATOM 228 HE1 PHE A 14 -2.315 0.768 5.528 1.00 0.34 H ATOM 229 HE2 PHE A 14 -1.776 -1.088 1.732 1.00 0.16 H ATOM 230 HZ PHE A 14 -0.963 -0.606 4.008 1.00 0.22 H ATOM 231 N THR A 15 -8.656 1.980 2.581 1.00 0.13 N ATOM 232 CA THR A 15 -9.833 2.572 1.958 1.00 0.16 C ATOM 233 C THR A 15 -9.435 3.776 1.105 1.00 0.14 C ATOM 234 O THR A 15 -10.227 4.293 0.318 1.00 0.28 O ATOM 235 CB THR A 15 -10.855 3.023 3.024 1.00 0.25 C ATOM 236 OG1 THR A 15 -11.084 1.962 3.961 1.00 1.03 O ATOM 237 CG2 THR A 15 -12.179 3.425 2.389 1.00 1.16 C ATOM 238 H THR A 15 -8.215 2.460 3.317 1.00 0.17 H ATOM 239 HA THR A 15 -10.295 1.827 1.328 1.00 0.21 H ATOM 240 HB THR A 15 -10.448 3.877 3.548 1.00 0.94 H ATOM 241 HG1 THR A 15 -10.350 1.334 3.917 1.00 1.65 H ATOM 242 HG21 THR A 15 -12.862 3.753 3.158 1.00 1.64 H ATOM 243 HG22 THR A 15 -12.602 2.576 1.871 1.00 1.79 H ATOM 244 HG23 THR A 15 -12.012 4.228 1.687 1.00 1.78 H ATOM 245 N ARG A 16 -8.196 4.213 1.259 1.00 0.12 N ATOM 246 CA ARG A 16 -7.719 5.398 0.567 1.00 0.14 C ATOM 247 C ARG A 16 -6.536 5.060 -0.332 1.00 0.12 C ATOM 248 O ARG A 16 -5.593 4.385 0.085 1.00 0.13 O ATOM 249 CB ARG A 16 -7.331 6.470 1.588 1.00 0.24 C ATOM 250 CG ARG A 16 -8.499 6.945 2.440 1.00 0.36 C ATOM 251 CD ARG A 16 -8.064 7.985 3.461 1.00 1.34 C ATOM 252 NE ARG A 16 -7.074 7.457 4.400 1.00 2.17 N ATOM 253 CZ ARG A 16 -6.343 8.220 5.212 1.00 3.16 C ATOM 254 NH1 ARG A 16 -6.486 9.541 5.197 1.00 3.58 N1+ ATOM 255 NH2 ARG A 16 -5.467 7.663 6.035 1.00 4.11 N ATOM 256 H ARG A 16 -7.585 3.724 1.845 1.00 0.20 H ATOM 257 HA ARG A 16 -8.526 5.770 -0.045 1.00 0.21 H ATOM 258 HB2 ARG A 16 -6.576 6.067 2.245 1.00 0.30 H ATOM 259 HB3 ARG A 16 -6.924 7.322 1.064 1.00 0.30 H ATOM 260 HG2 ARG A 16 -9.248 7.380 1.796 1.00 0.83 H ATOM 261 HG3 ARG A 16 -8.919 6.099 2.961 1.00 0.87 H ATOM 262 HD2 ARG A 16 -7.634 8.827 2.939 1.00 1.89 H ATOM 263 HD3 ARG A 16 -8.932 8.311 4.014 1.00 1.81 H ATOM 264 HE ARG A 16 -6.954 6.480 4.427 1.00 2.42 H ATOM 265 HH11 ARG A 16 -7.145 9.970 4.573 1.00 3.48 H ATOM 266 HH12 ARG A 16 -5.941 10.113 5.814 1.00 4.31 H ATOM 267 HH21 ARG A 16 -5.346 6.657 6.052 1.00 4.27 H ATOM 268 HH22 ARG A 16 -4.917 8.237 6.646 1.00 4.85 H ATOM 269 N SER A 17 -6.603 5.541 -1.570 1.00 0.15 N ATOM 270 CA SER A 17 -5.579 5.276 -2.571 1.00 0.18 C ATOM 271 C SER A 17 -4.262 5.933 -2.186 1.00 0.15 C ATOM 272 O SER A 17 -3.186 5.394 -2.441 1.00 0.17 O ATOM 273 CB SER A 17 -6.050 5.787 -3.933 1.00 0.27 C ATOM 274 OG SER A 17 -6.550 7.114 -3.830 1.00 0.75 O ATOM 275 H SER A 17 -7.366 6.105 -1.819 1.00 0.18 H ATOM 276 HA SER A 17 -5.435 4.207 -2.625 1.00 0.21 H ATOM 277 HB2 SER A 17 -5.223 5.780 -4.625 1.00 0.72 H ATOM 278 HB3 SER A 17 -6.837 5.148 -4.305 1.00 0.59 H ATOM 279 HG SER A 17 -6.046 7.690 -4.419 1.00 1.36 H ATOM 280 N ASP A 18 -4.360 7.098 -1.563 1.00 0.14 N ATOM 281 CA ASP A 18 -3.185 7.819 -1.086 1.00 0.16 C ATOM 282 C ASP A 18 -2.539 7.066 0.064 1.00 0.11 C ATOM 283 O ASP A 18 -1.319 7.042 0.198 1.00 0.12 O ATOM 284 CB ASP A 18 -3.562 9.234 -0.642 1.00 0.25 C ATOM 285 CG ASP A 18 -2.382 10.001 -0.083 1.00 1.21 C ATOM 286 OD1 ASP A 18 -1.508 10.411 -0.874 1.00 1.91 O ATOM 287 OD2 ASP A 18 -2.326 10.197 1.152 1.00 1.79 O1- ATOM 288 H ASP A 18 -5.253 7.487 -1.425 1.00 0.15 H ATOM 289 HA ASP A 18 -2.481 7.880 -1.900 1.00 0.20 H ATOM 290 HB2 ASP A 18 -3.951 9.778 -1.488 1.00 0.97 H ATOM 291 HB3 ASP A 18 -4.322 9.176 0.121 1.00 1.05 H ATOM 292 N GLU A 19 -3.375 6.432 0.874 1.00 0.10 N ATOM 293 CA GLU A 19 -2.904 5.640 1.996 1.00 0.10 C ATOM 294 C GLU A 19 -2.186 4.397 1.487 1.00 0.08 C ATOM 295 O GLU A 19 -1.129 4.028 1.996 1.00 0.10 O ATOM 296 CB GLU A 19 -4.075 5.252 2.901 1.00 0.16 C ATOM 297 CG GLU A 19 -3.656 4.520 4.159 1.00 0.63 C ATOM 298 CD GLU A 19 -4.798 4.354 5.135 1.00 0.72 C ATOM 299 OE1 GLU A 19 -4.863 5.124 6.112 1.00 0.94 O ATOM 300 OE2 GLU A 19 -5.643 3.463 4.924 1.00 1.38 O1- ATOM 301 H GLU A 19 -4.334 6.498 0.706 1.00 0.12 H ATOM 302 HA GLU A 19 -2.206 6.241 2.559 1.00 0.13 H ATOM 303 HB2 GLU A 19 -4.605 6.146 3.191 1.00 0.63 H ATOM 304 HB3 GLU A 19 -4.745 4.612 2.346 1.00 0.62 H ATOM 305 HG2 GLU A 19 -3.291 3.543 3.884 1.00 1.27 H ATOM 306 HG3 GLU A 19 -2.867 5.079 4.640 1.00 1.19 H ATOM 307 N LEU A 20 -2.768 3.764 0.471 1.00 0.07 N ATOM 308 CA LEU A 20 -2.129 2.637 -0.195 1.00 0.08 C ATOM 309 C LEU A 20 -0.799 3.058 -0.810 1.00 0.08 C ATOM 310 O LEU A 20 0.197 2.355 -0.682 1.00 0.09 O ATOM 311 CB LEU A 20 -3.050 2.064 -1.280 1.00 0.10 C ATOM 312 CG LEU A 20 -2.403 1.017 -2.196 1.00 0.10 C ATOM 313 CD1 LEU A 20 -1.974 -0.203 -1.399 1.00 0.13 C ATOM 314 CD2 LEU A 20 -3.351 0.614 -3.315 1.00 0.17 C ATOM 315 H LEU A 20 -3.657 4.056 0.171 1.00 0.08 H ATOM 316 HA LEU A 20 -1.941 1.875 0.546 1.00 0.10 H ATOM 317 HB2 LEU A 20 -3.904 1.614 -0.795 1.00 0.12 H ATOM 318 HB3 LEU A 20 -3.397 2.881 -1.893 1.00 0.11 H ATOM 319 HG LEU A 20 -1.518 1.445 -2.645 1.00 0.09 H ATOM 320 HD11 LEU A 20 -2.838 -0.655 -0.935 1.00 0.84 H ATOM 321 HD12 LEU A 20 -1.269 0.095 -0.636 1.00 0.94 H ATOM 322 HD13 LEU A 20 -1.507 -0.917 -2.061 1.00 0.89 H ATOM 323 HD21 LEU A 20 -4.171 0.042 -2.906 1.00 1.00 H ATOM 324 HD22 LEU A 20 -2.820 0.013 -4.038 1.00 1.07 H ATOM 325 HD23 LEU A 20 -3.737 1.500 -3.799 1.00 0.98 H ATOM 326 N GLN A 21 -0.792 4.206 -1.476 1.00 0.10 N ATOM 327 CA GLN A 21 0.426 4.729 -2.085 1.00 0.12 C ATOM 328 C GLN A 21 1.503 4.947 -1.024 1.00 0.09 C ATOM 329 O GLN A 21 2.638 4.480 -1.164 1.00 0.11 O ATOM 330 CB GLN A 21 0.134 6.042 -2.813 1.00 0.19 C ATOM 331 CG GLN A 21 1.334 6.600 -3.558 1.00 1.06 C ATOM 332 CD GLN A 21 1.737 5.740 -4.738 1.00 1.66 C ATOM 333 OE1 GLN A 21 2.548 4.825 -4.611 1.00 2.34 O ATOM 334 NE2 GLN A 21 1.163 6.025 -5.894 1.00 2.22 N ATOM 335 H GLN A 21 -1.631 4.713 -1.567 1.00 0.11 H ATOM 336 HA GLN A 21 0.780 3.999 -2.797 1.00 0.14 H ATOM 337 HB2 GLN A 21 -0.660 5.877 -3.525 1.00 0.71 H ATOM 338 HB3 GLN A 21 -0.189 6.777 -2.091 1.00 0.89 H ATOM 339 HG2 GLN A 21 1.092 7.587 -3.916 1.00 1.72 H ATOM 340 HG3 GLN A 21 2.169 6.660 -2.874 1.00 1.75 H ATOM 341 HE21 GLN A 21 0.517 6.763 -5.923 1.00 2.35 H ATOM 342 HE22 GLN A 21 1.410 5.492 -6.679 1.00 2.82 H ATOM 343 N ARG A 22 1.126 5.653 0.039 1.00 0.11 N ATOM 344 CA ARG A 22 2.015 5.898 1.165 1.00 0.15 C ATOM 345 C ARG A 22 2.587 4.581 1.671 1.00 0.11 C ATOM 346 O ARG A 22 3.804 4.420 1.793 1.00 0.15 O ATOM 347 CB ARG A 22 1.250 6.607 2.285 1.00 0.25 C ATOM 348 CG ARG A 22 2.097 6.945 3.499 1.00 0.37 C ATOM 349 CD ARG A 22 1.257 7.586 4.592 1.00 0.51 C ATOM 350 NE ARG A 22 0.270 6.658 5.148 1.00 1.09 N ATOM 351 CZ ARG A 22 -0.688 7.013 6.001 1.00 1.51 C ATOM 352 NH1 ARG A 22 -0.820 8.282 6.373 1.00 1.42 N1+ ATOM 353 NH2 ARG A 22 -1.520 6.096 6.477 1.00 2.47 N ATOM 354 H ARG A 22 0.215 6.019 0.066 1.00 0.13 H ATOM 355 HA ARG A 22 2.821 6.528 0.829 1.00 0.19 H ATOM 356 HB2 ARG A 22 0.841 7.526 1.893 1.00 0.29 H ATOM 357 HB3 ARG A 22 0.438 5.975 2.606 1.00 0.25 H ATOM 358 HG2 ARG A 22 2.539 6.038 3.881 1.00 0.34 H ATOM 359 HG3 ARG A 22 2.877 7.633 3.204 1.00 0.44 H ATOM 360 HD2 ARG A 22 1.913 7.915 5.384 1.00 1.09 H ATOM 361 HD3 ARG A 22 0.740 8.438 4.177 1.00 1.23 H ATOM 362 HE ARG A 22 0.336 5.713 4.877 1.00 1.66 H ATOM 363 HH11 ARG A 22 -1.539 8.549 7.017 1.00 1.85 H ATOM 364 HH12 ARG A 22 -0.200 8.984 6.006 1.00 1.43 H ATOM 365 HH21 ARG A 22 -2.243 6.355 7.120 1.00 2.80 H ATOM 366 HH22 ARG A 22 -1.424 5.136 6.194 1.00 2.99 H ATOM 367 N HIS A 23 1.692 3.631 1.917 1.00 0.10 N ATOM 368 CA HIS A 23 2.073 2.304 2.368 1.00 0.10 C ATOM 369 C HIS A 23 3.073 1.662 1.404 1.00 0.11 C ATOM 370 O HIS A 23 4.096 1.138 1.828 1.00 0.17 O ATOM 371 CB HIS A 23 0.825 1.418 2.515 1.00 0.12 C ATOM 372 CG HIS A 23 1.138 -0.044 2.594 1.00 0.12 C ATOM 373 ND1 HIS A 23 1.311 -0.760 3.775 1.00 0.17 N ATOM 374 CD2 HIS A 23 1.377 -0.915 1.588 1.00 0.12 C ATOM 375 CE1 HIS A 23 1.664 -2.016 3.441 1.00 0.19 C ATOM 376 NE2 HIS A 23 1.710 -2.123 2.140 1.00 0.15 N ATOM 377 H HIS A 23 0.738 3.831 1.785 1.00 0.14 H ATOM 378 HA HIS A 23 2.543 2.408 3.333 1.00 0.13 H ATOM 379 HB2 HIS A 23 0.294 1.694 3.411 1.00 0.14 H ATOM 380 HB3 HIS A 23 0.182 1.573 1.660 1.00 0.12 H ATOM 381 HD1 HIS A 23 1.194 -0.413 4.688 1.00 0.21 H ATOM 382 HD2 HIS A 23 1.296 -0.710 0.532 1.00 0.12 H ATOM 383 HE1 HIS A 23 1.863 -2.813 4.140 1.00 0.24 H ATOM 384 N LYS A 24 2.775 1.710 0.110 1.00 0.10 N ATOM 385 CA LYS A 24 3.621 1.067 -0.893 1.00 0.14 C ATOM 386 C LYS A 24 5.026 1.647 -0.888 1.00 0.15 C ATOM 387 O LYS A 24 5.988 0.969 -1.260 1.00 0.17 O ATOM 388 CB LYS A 24 3.022 1.187 -2.295 1.00 0.22 C ATOM 389 CG LYS A 24 1.749 0.381 -2.495 1.00 0.28 C ATOM 390 CD LYS A 24 1.366 0.301 -3.962 1.00 1.08 C ATOM 391 CE LYS A 24 1.062 1.671 -4.548 1.00 1.23 C ATOM 392 NZ LYS A 24 0.766 1.592 -6.001 1.00 1.43 N1+ ATOM 393 H LYS A 24 1.961 2.184 -0.176 1.00 0.09 H ATOM 394 HA LYS A 24 3.689 0.023 -0.635 1.00 0.17 H ATOM 395 HB2 LYS A 24 2.796 2.226 -2.489 1.00 0.23 H ATOM 396 HB3 LYS A 24 3.753 0.848 -3.015 1.00 0.26 H ATOM 397 HG2 LYS A 24 1.903 -0.620 -2.120 1.00 0.94 H ATOM 398 HG3 LYS A 24 0.946 0.852 -1.948 1.00 0.90 H ATOM 399 HD2 LYS A 24 2.182 -0.140 -4.512 1.00 1.64 H ATOM 400 HD3 LYS A 24 0.489 -0.323 -4.057 1.00 1.77 H ATOM 401 HE2 LYS A 24 0.206 2.086 -4.036 1.00 1.51 H ATOM 402 HE3 LYS A 24 1.918 2.312 -4.396 1.00 1.51 H ATOM 403 HZ1 LYS A 24 0.516 2.533 -6.367 1.00 2.01 H ATOM 404 HZ2 LYS A 24 -0.029 0.945 -6.171 1.00 1.71 H ATOM 405 HZ3 LYS A 24 1.599 1.245 -6.517 1.00 1.73 H ATOM 406 N ARG A 25 5.155 2.886 -0.434 1.00 0.17 N ATOM 407 CA ARG A 25 6.453 3.529 -0.380 1.00 0.22 C ATOM 408 C ARG A 25 7.312 2.964 0.752 1.00 0.25 C ATOM 409 O ARG A 25 8.421 3.441 0.993 1.00 0.39 O ATOM 410 CB ARG A 25 6.289 5.041 -0.244 1.00 0.33 C ATOM 411 CG ARG A 25 5.651 5.673 -1.467 1.00 0.46 C ATOM 412 CD ARG A 25 5.476 7.170 -1.304 1.00 0.63 C ATOM 413 NE ARG A 25 4.944 7.785 -2.518 1.00 1.40 N ATOM 414 CZ ARG A 25 4.200 8.889 -2.537 1.00 2.00 C ATOM 415 NH1 ARG A 25 3.880 9.504 -1.404 1.00 1.85 N1+ ATOM 416 NH2 ARG A 25 3.776 9.375 -3.696 1.00 2.90 N ATOM 417 H ARG A 25 4.353 3.383 -0.131 1.00 0.16 H ATOM 418 HA ARG A 25 6.951 3.321 -1.317 1.00 0.26 H ATOM 419 HB2 ARG A 25 5.665 5.250 0.613 1.00 0.40 H ATOM 420 HB3 ARG A 25 7.260 5.490 -0.095 1.00 0.34 H ATOM 421 HG2 ARG A 25 6.278 5.486 -2.326 1.00 0.50 H ATOM 422 HG3 ARG A 25 4.682 5.222 -1.626 1.00 0.50 H ATOM 423 HD2 ARG A 25 4.792 7.353 -0.489 1.00 0.84 H ATOM 424 HD3 ARG A 25 6.434 7.612 -1.075 1.00 1.09 H ATOM 425 HE ARG A 25 5.165 7.349 -3.375 1.00 1.71 H ATOM 426 HH11 ARG A 25 3.319 10.335 -1.419 1.00 2.34 H ATOM 427 HH12 ARG A 25 4.196 9.141 -0.522 1.00 1.42 H ATOM 428 HH21 ARG A 25 4.018 8.910 -4.555 1.00 3.18 H ATOM 429 HH22 ARG A 25 3.219 10.206 -3.723 1.00 3.37 H ATOM 430 N THR A 26 6.796 1.958 1.452 1.00 0.25 N ATOM 431 CA THR A 26 7.603 1.209 2.401 1.00 0.32 C ATOM 432 C THR A 26 8.254 0.019 1.701 1.00 0.33 C ATOM 433 O THR A 26 9.288 -0.487 2.141 1.00 0.47 O ATOM 434 CB THR A 26 6.787 0.703 3.609 1.00 0.41 C ATOM 435 OG1 THR A 26 5.790 -0.234 3.182 1.00 0.83 O ATOM 436 CG2 THR A 26 6.123 1.861 4.341 1.00 0.59 C ATOM 437 H THR A 26 5.848 1.729 1.338 1.00 0.26 H ATOM 438 HA THR A 26 8.381 1.866 2.765 1.00 0.36 H ATOM 439 HB THR A 26 7.461 0.207 4.292 1.00 0.80 H ATOM 440 HG1 THR A 26 5.050 0.245 2.779 1.00 0.87 H ATOM 441 HG21 THR A 26 5.443 2.368 3.672 1.00 1.25 H ATOM 442 HG22 THR A 26 6.879 2.554 4.679 1.00 1.23 H ATOM 443 HG23 THR A 26 5.575 1.482 5.192 1.00 1.11 H ATOM 444 N HIS A 27 7.636 -0.428 0.607 1.00 0.28 N ATOM 445 CA HIS A 27 8.198 -1.498 -0.206 1.00 0.30 C ATOM 446 C HIS A 27 9.208 -0.911 -1.179 1.00 0.34 C ATOM 447 O HIS A 27 10.360 -1.339 -1.237 1.00 0.38 O ATOM 448 CB HIS A 27 7.122 -2.242 -1.013 1.00 0.30 C ATOM 449 CG HIS A 27 6.065 -2.934 -0.211 1.00 0.27 C ATOM 450 ND1 HIS A 27 6.293 -4.023 0.626 1.00 0.36 N ATOM 451 CD2 HIS A 27 4.731 -2.702 -0.169 1.00 0.21 C ATOM 452 CE1 HIS A 27 5.103 -4.406 1.133 1.00 0.34 C ATOM 453 NE2 HIS A 27 4.158 -3.629 0.672 1.00 0.24 N ATOM 454 H HIS A 27 6.789 -0.016 0.334 1.00 0.30 H ATOM 455 HA HIS A 27 8.701 -2.193 0.450 1.00 0.32 H ATOM 456 HB2 HIS A 27 6.620 -1.533 -1.656 1.00 0.29 H ATOM 457 HB3 HIS A 27 7.605 -2.988 -1.631 1.00 0.36 H ATOM 458 HD1 HIS A 27 7.165 -4.446 0.803 1.00 0.43 H ATOM 459 HD2 HIS A 27 4.197 -1.940 -0.716 1.00 0.20 H ATOM 460 HE1 HIS A 27 4.951 -5.236 1.806 1.00 0.42 H