USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 272 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 265 LYS NZ :NH3+ 164:sc= -0.0734 (180deg=-0.345) USER MOD Single : A 270 SER OG : rot 76:sc= 0.0167 USER MOD Single : A 272 LYS NZ :NH3+ 166:sc= -0.0232 (180deg=-0.239) USER MOD Single : A 307 LYS NZ :NH3+ -171:sc= -3.37! (180deg=-4.17!) USER MOD Single : A 311 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 313 SER OG : rot 68:sc= 0.361 USER MOD Single : A 321 LYS NZ :NH3+ -134:sc= -0.0483 (180deg=-0.346) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 59.474 -8.782 -7.306 1.00 0.00 N ATOM 156 CA GLU A 259 58.446 -7.978 -7.961 1.00 0.00 C ATOM 157 C GLU A 259 57.117 -8.097 -7.227 1.00 0.00 C ATOM 158 O GLU A 259 56.415 -7.107 -7.031 1.00 0.00 O ATOM 159 CB GLU A 259 58.271 -8.411 -9.418 1.00 0.00 C ATOM 160 CG GLU A 259 59.515 -8.228 -10.272 1.00 0.00 C ATOM 161 CD GLU A 259 59.937 -6.775 -10.399 1.00 0.00 C ATOM 162 OE1 GLU A 259 60.261 -6.155 -9.365 1.00 0.00 O ATOM 163 OE2 GLU A 259 59.943 -6.258 -11.536 1.00 0.00 O ATOM 0 HA GLU A 259 58.769 -6.937 -7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 259 57.978 -9.461 -9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 259 57.453 -7.842 -9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 259 60.334 -8.802 -9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 259 59.330 -8.635 -11.266 1.00 0.00 H new ATOM 170 N GLU A 260 56.777 -9.319 -6.829 1.00 0.00 N ATOM 171 CA GLU A 260 55.529 -9.580 -6.120 1.00 0.00 C ATOM 172 C GLU A 260 55.374 -8.660 -4.911 1.00 0.00 C ATOM 173 O GLU A 260 54.269 -8.226 -4.593 1.00 0.00 O ATOM 174 CB GLU A 260 55.470 -11.043 -5.676 1.00 0.00 C ATOM 175 CG GLU A 260 56.640 -11.460 -4.800 1.00 0.00 C ATOM 176 CD GLU A 260 56.571 -12.917 -4.390 1.00 0.00 C ATOM 177 OE1 GLU A 260 56.570 -13.787 -5.287 1.00 0.00 O ATOM 178 OE2 GLU A 260 56.520 -13.189 -3.172 1.00 0.00 O ATOM 0 H GLU A 260 57.351 -10.147 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 260 54.706 -9.379 -6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 260 54.541 -11.212 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 260 55.442 -11.681 -6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 260 57.572 -11.281 -5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 260 56.661 -10.836 -3.907 1.00 0.00 H new ATOM 185 N GLU A 261 56.483 -8.371 -4.239 1.00 0.00 N ATOM 186 CA GLU A 261 56.461 -7.507 -3.062 1.00 0.00 C ATOM 187 C GLU A 261 56.027 -6.086 -3.422 1.00 0.00 C ATOM 188 O GLU A 261 55.125 -5.526 -2.798 1.00 0.00 O ATOM 189 CB GLU A 261 57.842 -7.474 -2.402 1.00 0.00 C ATOM 190 CG GLU A 261 57.896 -6.628 -1.140 1.00 0.00 C ATOM 191 CD GLU A 261 56.954 -7.127 -0.062 1.00 0.00 C ATOM 192 OE1 GLU A 261 57.106 -8.290 0.367 1.00 0.00 O ATOM 193 OE2 GLU A 261 56.065 -6.355 0.354 1.00 0.00 O ATOM 0 H GLU A 261 57.408 -8.721 -4.488 1.00 0.00 H new ATOM 0 HA GLU A 261 55.735 -7.919 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 261 58.143 -8.493 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 261 58.568 -7.089 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 261 58.915 -6.624 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 261 57.645 -5.597 -1.388 1.00 0.00 H new ATOM 200 N LEU A 262 56.680 -5.507 -4.426 1.00 0.00 N ATOM 201 CA LEU A 262 56.370 -4.147 -4.861 1.00 0.00 C ATOM 202 C LEU A 262 54.970 -4.058 -5.460 1.00 0.00 C ATOM 203 O LEU A 262 54.189 -3.173 -5.110 1.00 0.00 O ATOM 204 CB LEU A 262 57.404 -3.670 -5.884 1.00 0.00 C ATOM 205 CG LEU A 262 58.852 -3.661 -5.388 1.00 0.00 C ATOM 206 CD1 LEU A 262 59.793 -3.223 -6.500 1.00 0.00 C ATOM 207 CD2 LEU A 262 58.997 -2.750 -4.177 1.00 0.00 C ATOM 0 H LEU A 262 57.427 -5.958 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 262 56.405 -3.502 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 262 57.342 -4.309 -6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 262 57.139 -2.662 -6.202 1.00 0.00 H new ATOM 0 HG LEU A 262 59.119 -4.675 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 262 60.818 -3.222 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 262 59.711 -3.914 -7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 262 59.525 -2.219 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 262 60.033 -2.757 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 262 58.711 -1.734 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 262 58.351 -3.106 -3.374 1.00 0.00 H new ATOM 219 N ILE A 263 54.664 -4.974 -6.370 1.00 0.00 N ATOM 220 CA ILE A 263 53.363 -5.002 -7.028 1.00 0.00 C ATOM 221 C ILE A 263 52.234 -5.142 -6.009 1.00 0.00 C ATOM 222 O ILE A 263 51.231 -4.430 -6.077 1.00 0.00 O ATOM 223 CB ILE A 263 53.284 -6.159 -8.045 1.00 0.00 C ATOM 224 CG1 ILE A 263 54.424 -6.043 -9.062 1.00 0.00 C ATOM 225 CG2 ILE A 263 51.933 -6.155 -8.749 1.00 0.00 C ATOM 226 CD1 ILE A 263 54.546 -7.236 -9.988 1.00 0.00 C ATOM 0 H ILE A 263 55.302 -5.711 -6.671 1.00 0.00 H new ATOM 0 HA ILE A 263 53.246 -4.056 -7.556 1.00 0.00 H new ATOM 0 HB ILE A 263 53.388 -7.104 -7.513 1.00 0.00 H new ATOM 0 HG12 ILE A 263 54.273 -5.145 -9.661 1.00 0.00 H new ATOM 0 HG13 ILE A 263 55.364 -5.914 -8.526 1.00 0.00 H new ATOM 0 HG21 ILE A 263 51.893 -6.977 -9.463 1.00 0.00 H new ATOM 0 HG22 ILE A 263 51.139 -6.275 -8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 263 51.800 -5.210 -9.276 1.00 0.00 H new ATOM 0 HD11 ILE A 263 55.375 -7.078 -10.678 1.00 0.00 H new ATOM 0 HD12 ILE A 263 54.729 -8.136 -9.400 1.00 0.00 H new ATOM 0 HD13 ILE A 263 53.621 -7.354 -10.553 1.00 0.00 H new ATOM 238 N ARG A 264 52.408 -6.061 -5.065 1.00 0.00 N ATOM 239 CA ARG A 264 51.408 -6.297 -4.028 1.00 0.00 C ATOM 240 C ARG A 264 51.196 -5.047 -3.182 1.00 0.00 C ATOM 241 O ARG A 264 50.061 -4.675 -2.881 1.00 0.00 O ATOM 242 CB ARG A 264 51.834 -7.462 -3.133 1.00 0.00 C ATOM 243 CG ARG A 264 50.823 -7.803 -2.050 1.00 0.00 C ATOM 244 CD ARG A 264 51.318 -8.940 -1.170 1.00 0.00 C ATOM 245 NE ARG A 264 50.349 -9.296 -0.136 1.00 0.00 N ATOM 246 CZ ARG A 264 50.551 -10.252 0.766 1.00 0.00 C ATOM 247 NH1 ARG A 264 51.684 -10.942 0.765 1.00 0.00 N ATOM 248 NH2 ARG A 264 49.620 -10.519 1.671 1.00 0.00 N ATOM 0 H ARG A 264 53.234 -6.656 -4.996 1.00 0.00 H new ATOM 0 HA ARG A 264 50.467 -6.548 -4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 264 52.000 -8.343 -3.753 1.00 0.00 H new ATOM 0 HB3 ARG A 264 52.787 -7.218 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 264 50.633 -6.922 -1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 264 49.875 -8.082 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 264 51.525 -9.813 -1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 264 52.259 -8.652 -0.701 1.00 0.00 H new ATOM 0 HE ARG A 264 49.468 -8.782 -0.104 1.00 0.00 H new ATOM 0 HH11 ARG A 264 52.404 -10.740 0.071 1.00 0.00 H new ATOM 0 HH12 ARG A 264 51.836 -11.675 1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 264 48.747 -9.991 1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 264 49.776 -11.253 2.362 1.00 0.00 H new ATOM 262 N LYS A 265 52.295 -4.405 -2.796 1.00 0.00 N ATOM 263 CA LYS A 265 52.226 -3.199 -1.978 1.00 0.00 C ATOM 264 C LYS A 265 51.453 -2.099 -2.698 1.00 0.00 C ATOM 265 O LYS A 265 50.617 -1.422 -2.100 1.00 0.00 O ATOM 266 CB LYS A 265 53.631 -2.706 -1.633 1.00 0.00 C ATOM 267 CG LYS A 265 53.638 -1.516 -0.686 1.00 0.00 C ATOM 268 CD LYS A 265 55.050 -1.012 -0.426 1.00 0.00 C ATOM 269 CE LYS A 265 55.682 -0.441 -1.686 1.00 0.00 C ATOM 270 NZ LYS A 265 54.905 0.711 -2.222 1.00 0.00 N ATOM 0 H LYS A 265 53.242 -4.699 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 265 51.701 -3.447 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 265 54.194 -3.523 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 265 54.148 -2.432 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 265 53.036 -0.711 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 265 53.173 -1.800 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 265 55.026 -0.246 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 265 55.665 -1.829 -0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 265 56.701 -0.122 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 265 55.747 -1.220 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 55.490 1.238 -2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 54.050 0.361 -2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 54.632 1.340 -1.440 1.00 0.00 H new ATOM 284 N ALA A 266 51.739 -1.927 -3.986 1.00 0.00 N ATOM 285 CA ALA A 266 51.069 -0.910 -4.788 1.00 0.00 C ATOM 286 C ALA A 266 49.563 -1.142 -4.806 1.00 0.00 C ATOM 287 O ALA A 266 48.777 -0.218 -4.589 1.00 0.00 O ATOM 288 CB ALA A 266 51.624 -0.905 -6.204 1.00 0.00 C ATOM 0 H ALA A 266 52.430 -2.479 -4.495 1.00 0.00 H new ATOM 0 HA ALA A 266 51.258 0.064 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 266 51.115 -0.141 -6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 266 52.692 -0.689 -6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 266 51.463 -1.881 -6.661 1.00 0.00 H new ATOM 294 N ILE A 267 49.168 -2.387 -5.057 1.00 0.00 N ATOM 295 CA ILE A 267 47.757 -2.748 -5.093 1.00 0.00 C ATOM 296 C ILE A 267 47.101 -2.476 -3.744 1.00 0.00 C ATOM 297 O ILE A 267 45.972 -1.992 -3.677 1.00 0.00 O ATOM 298 CB ILE A 267 47.563 -4.233 -5.459 1.00 0.00 C ATOM 299 CG1 ILE A 267 48.212 -4.535 -6.813 1.00 0.00 C ATOM 300 CG2 ILE A 267 46.081 -4.583 -5.484 1.00 0.00 C ATOM 301 CD1 ILE A 267 48.132 -5.994 -7.213 1.00 0.00 C ATOM 0 H ILE A 267 49.806 -3.162 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 267 47.286 -2.134 -5.861 1.00 0.00 H new ATOM 0 HB ILE A 267 48.048 -4.847 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 267 47.730 -3.930 -7.581 1.00 0.00 H new ATOM 0 HG13 ILE A 267 49.259 -4.233 -6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 267 45.960 -5.635 -5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 267 45.647 -4.400 -4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 267 45.574 -3.965 -6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 267 48.612 -6.132 -8.182 1.00 0.00 H new ATOM 0 HD12 ILE A 267 48.640 -6.604 -6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 267 47.087 -6.296 -7.279 1.00 0.00 H new ATOM 313 N GLU A 268 47.821 -2.793 -2.672 1.00 0.00 N ATOM 314 CA GLU A 268 47.319 -2.586 -1.318 1.00 0.00 C ATOM 315 C GLU A 268 47.039 -1.110 -1.058 1.00 0.00 C ATOM 316 O GLU A 268 46.025 -0.760 -0.456 1.00 0.00 O ATOM 317 CB GLU A 268 48.326 -3.114 -0.293 1.00 0.00 C ATOM 318 CG GLU A 268 47.876 -2.937 1.149 1.00 0.00 C ATOM 319 CD GLU A 268 48.891 -3.462 2.146 1.00 0.00 C ATOM 320 OE1 GLU A 268 49.203 -4.669 2.095 1.00 0.00 O ATOM 321 OE2 GLU A 268 49.372 -2.664 2.979 1.00 0.00 O ATOM 0 H GLU A 268 48.757 -3.196 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 268 46.383 -3.136 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 268 48.503 -4.173 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 268 49.278 -2.601 -0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 268 47.696 -1.879 1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 268 46.928 -3.454 1.296 1.00 0.00 H new ATOM 328 N LEU A 269 47.947 -0.249 -1.509 1.00 0.00 N ATOM 329 CA LEU A 269 47.798 1.191 -1.321 1.00 0.00 C ATOM 330 C LEU A 269 46.573 1.717 -2.060 1.00 0.00 C ATOM 331 O LEU A 269 45.793 2.495 -1.511 1.00 0.00 O ATOM 332 CB LEU A 269 49.055 1.925 -1.798 1.00 0.00 C ATOM 333 CG LEU A 269 48.994 3.452 -1.700 1.00 0.00 C ATOM 334 CD1 LEU A 269 48.755 3.890 -0.263 1.00 0.00 C ATOM 335 CD2 LEU A 269 50.275 4.070 -2.240 1.00 0.00 C ATOM 0 H LEU A 269 48.794 -0.523 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 269 47.661 1.378 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 269 49.906 1.573 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 269 49.245 1.651 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 269 48.158 3.801 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 269 48.715 4.978 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 269 47.811 3.477 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 269 49.568 3.529 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 269 50.216 5.156 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 269 51.125 3.711 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 269 50.403 3.787 -3.285 1.00 0.00 H new ATOM 347 N SER A 270 46.410 1.292 -3.309 1.00 0.00 N ATOM 348 CA SER A 270 45.278 1.728 -4.119 1.00 0.00 C ATOM 349 C SER A 270 43.958 1.278 -3.501 1.00 0.00 C ATOM 350 O SER A 270 43.025 2.070 -3.360 1.00 0.00 O ATOM 351 CB SER A 270 45.402 1.182 -5.543 1.00 0.00 C ATOM 352 OG SER A 270 46.583 1.654 -6.168 1.00 0.00 O ATOM 0 H SER A 270 47.045 0.648 -3.781 1.00 0.00 H new ATOM 0 HA SER A 270 45.287 2.817 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 270 45.410 0.092 -5.519 1.00 0.00 H new ATOM 0 HB3 SER A 270 44.532 1.482 -6.128 1.00 0.00 H new ATOM 0 HG SER A 270 47.358 1.172 -5.810 1.00 0.00 H new ATOM 358 N LEU A 271 43.888 0.004 -3.132 1.00 0.00 N ATOM 359 CA LEU A 271 42.685 -0.555 -2.525 1.00 0.00 C ATOM 360 C LEU A 271 42.410 0.092 -1.172 1.00 0.00 C ATOM 361 O LEU A 271 41.257 0.297 -0.794 1.00 0.00 O ATOM 362 CB LEU A 271 42.826 -2.071 -2.361 1.00 0.00 C ATOM 363 CG LEU A 271 43.020 -2.851 -3.664 1.00 0.00 C ATOM 364 CD1 LEU A 271 43.205 -4.332 -3.374 1.00 0.00 C ATOM 365 CD2 LEU A 271 41.838 -2.633 -4.599 1.00 0.00 C ATOM 0 H LEU A 271 44.652 -0.663 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 271 41.844 -0.347 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 271 43.673 -2.272 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 271 41.937 -2.450 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 271 43.919 -2.481 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 271 43.342 -4.872 -4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 271 44.083 -4.472 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 271 42.324 -4.715 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 271 41.994 -3.195 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 271 40.923 -2.976 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 271 41.750 -1.572 -4.832 1.00 0.00 H new ATOM 377 N LYS A 272 43.481 0.407 -0.448 1.00 0.00 N ATOM 378 CA LYS A 272 43.366 1.029 0.867 1.00 0.00 C ATOM 379 C LYS A 272 42.546 2.312 0.796 1.00 0.00 C ATOM 380 O LYS A 272 41.699 2.564 1.654 1.00 0.00 O ATOM 381 CB LYS A 272 44.756 1.332 1.434 1.00 0.00 C ATOM 382 CG LYS A 272 44.730 1.979 2.813 1.00 0.00 C ATOM 383 CD LYS A 272 44.111 1.060 3.858 1.00 0.00 C ATOM 384 CE LYS A 272 44.935 -0.203 4.054 1.00 0.00 C ATOM 385 NZ LYS A 272 46.315 0.099 4.525 1.00 0.00 N ATOM 0 H LYS A 272 44.441 0.241 -0.751 1.00 0.00 H new ATOM 0 HA LYS A 272 42.854 0.329 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 272 45.326 0.404 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 272 45.284 1.990 0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 272 45.746 2.237 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 272 44.165 2.910 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 272 44.028 1.591 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 272 43.100 0.791 3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 272 44.439 -0.851 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 272 44.985 -0.753 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 46.763 -0.774 4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 46.873 0.486 3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 46.274 0.796 5.296 1.00 0.00 H new ATOM 892 N ASP A 305 -38.450 6.407 -0.474 1.00 0.00 N ATOM 893 CA ASP A 305 -39.635 6.387 -1.328 1.00 0.00 C ATOM 894 C ASP A 305 -39.862 5.003 -1.934 1.00 0.00 C ATOM 895 O ASP A 305 -41.003 4.579 -2.118 1.00 0.00 O ATOM 896 CB ASP A 305 -39.500 7.425 -2.444 1.00 0.00 C ATOM 897 CG ASP A 305 -40.710 7.454 -3.358 1.00 0.00 C ATOM 898 OD1 ASP A 305 -41.825 7.715 -2.860 1.00 0.00 O ATOM 899 OD2 ASP A 305 -40.541 7.216 -4.573 1.00 0.00 O ATOM 0 HA ASP A 305 -40.496 6.632 -0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 305 -39.358 8.412 -2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 305 -38.609 7.207 -3.033 1.00 0.00 H new ATOM 904 N LEU A 306 -38.773 4.311 -2.254 1.00 0.00 N ATOM 905 CA LEU A 306 -38.857 2.981 -2.851 1.00 0.00 C ATOM 906 C LEU A 306 -39.605 2.004 -1.943 1.00 0.00 C ATOM 907 O LEU A 306 -40.628 1.437 -2.336 1.00 0.00 O ATOM 908 CB LEU A 306 -37.453 2.451 -3.152 1.00 0.00 C ATOM 909 CG LEU A 306 -36.641 3.293 -4.140 1.00 0.00 C ATOM 910 CD1 LEU A 306 -35.251 2.705 -4.328 1.00 0.00 C ATOM 911 CD2 LEU A 306 -37.361 3.393 -5.477 1.00 0.00 C ATOM 0 H LEU A 306 -37.821 4.649 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 306 -39.418 3.067 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 306 -36.899 2.382 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 306 -37.540 1.439 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 306 -36.538 4.297 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 306 -34.689 3.317 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 306 -34.731 2.686 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 306 -35.335 1.690 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 306 -36.768 3.995 -6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 306 -37.497 2.395 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 306 -38.335 3.861 -5.332 1.00 0.00 H new ATOM 923 N LYS A 307 -39.096 1.812 -0.728 1.00 0.00 N ATOM 924 CA LYS A 307 -39.730 0.905 0.224 1.00 0.00 C ATOM 925 C LYS A 307 -41.147 1.362 0.544 1.00 0.00 C ATOM 926 O LYS A 307 -42.060 0.545 0.657 1.00 0.00 O ATOM 927 CB LYS A 307 -38.905 0.788 1.510 1.00 0.00 C ATOM 928 CG LYS A 307 -37.696 -0.129 1.380 1.00 0.00 C ATOM 929 CD LYS A 307 -36.648 0.432 0.430 1.00 0.00 C ATOM 930 CE LYS A 307 -35.793 1.498 1.100 1.00 0.00 C ATOM 931 NZ LYS A 307 -36.606 2.638 1.603 1.00 0.00 N ATOM 0 H LYS A 307 -38.252 2.269 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 307 -39.779 -0.080 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 307 -38.567 1.781 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 307 -39.546 0.418 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 307 -37.249 -0.280 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 307 -38.020 -1.107 1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 307 -36.009 -0.376 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 307 -37.140 0.857 -0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 307 -35.244 1.052 1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 307 -35.053 1.867 0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 -35.975 3.405 1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 -37.225 2.985 0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 -37.187 2.323 2.406 1.00 0.00 H new ATOM 945 N ALA A 308 -41.328 2.673 0.676 1.00 0.00 N ATOM 946 CA ALA A 308 -42.641 3.233 0.968 1.00 0.00 C ATOM 947 C ALA A 308 -43.634 2.853 -0.123 1.00 0.00 C ATOM 948 O ALA A 308 -44.782 2.506 0.157 1.00 0.00 O ATOM 949 CB ALA A 308 -42.556 4.746 1.107 1.00 0.00 C ATOM 0 H ALA A 308 -40.584 3.364 0.585 1.00 0.00 H new ATOM 0 HA ALA A 308 -42.991 2.820 1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 308 -43.546 5.148 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 308 -41.875 4.999 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 308 -42.187 5.177 0.176 1.00 0.00 H new ATOM 955 N ALA A 309 -43.175 2.911 -1.371 1.00 0.00 N ATOM 956 CA ALA A 309 -44.012 2.564 -2.511 1.00 0.00 C ATOM 957 C ALA A 309 -44.437 1.104 -2.439 1.00 0.00 C ATOM 958 O ALA A 309 -45.604 0.775 -2.655 1.00 0.00 O ATOM 959 CB ALA A 309 -43.273 2.838 -3.812 1.00 0.00 C ATOM 0 H ALA A 309 -42.227 3.196 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 309 -44.908 3.184 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 309 -43.911 2.574 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 309 -43.016 3.896 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 309 -42.362 2.241 -3.845 1.00 0.00 H new ATOM 965 N ILE A 310 -43.483 0.230 -2.125 1.00 0.00 N ATOM 966 CA ILE A 310 -43.764 -1.197 -2.016 1.00 0.00 C ATOM 967 C ILE A 310 -44.836 -1.457 -0.962 1.00 0.00 C ATOM 968 O ILE A 310 -45.765 -2.236 -1.184 1.00 0.00 O ATOM 969 CB ILE A 310 -42.497 -1.996 -1.650 1.00 0.00 C ATOM 970 CG1 ILE A 310 -41.408 -1.779 -2.705 1.00 0.00 C ATOM 971 CG2 ILE A 310 -42.828 -3.477 -1.513 1.00 0.00 C ATOM 972 CD1 ILE A 310 -40.104 -2.481 -2.386 1.00 0.00 C ATOM 0 H ILE A 310 -42.512 0.485 -1.942 1.00 0.00 H new ATOM 0 HA ILE A 310 -44.120 -1.528 -2.991 1.00 0.00 H new ATOM 0 HB ILE A 310 -42.121 -1.638 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 310 -41.774 -2.131 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 310 -41.220 -0.710 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 310 -41.925 -4.029 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 310 -43.573 -3.612 -0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 310 -43.224 -3.850 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 310 -39.381 -2.282 -3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 310 -39.715 -2.112 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 310 -40.277 -3.555 -2.314 1.00 0.00 H new ATOM 984 N GLN A 311 -44.702 -0.793 0.183 1.00 0.00 N ATOM 985 CA GLN A 311 -45.658 -0.945 1.273 1.00 0.00 C ATOM 986 C GLN A 311 -47.059 -0.553 0.818 1.00 0.00 C ATOM 987 O GLN A 311 -48.030 -1.260 1.089 1.00 0.00 O ATOM 988 CB GLN A 311 -45.241 -0.089 2.471 1.00 0.00 C ATOM 989 CG GLN A 311 -43.875 -0.451 3.032 1.00 0.00 C ATOM 990 CD GLN A 311 -43.487 0.410 4.218 1.00 0.00 C ATOM 991 OE1 GLN A 311 -44.177 0.429 5.238 1.00 0.00 O ATOM 992 NE2 GLN A 311 -42.378 1.129 4.090 1.00 0.00 N ATOM 0 H GLN A 311 -43.940 -0.144 0.379 1.00 0.00 H new ATOM 0 HA GLN A 311 -45.668 -1.993 1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 311 -45.236 0.960 2.173 1.00 0.00 H new ATOM 0 HB3 GLN A 311 -45.987 -0.193 3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 311 -43.875 -1.499 3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 311 -43.124 -0.344 2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 311 -41.837 1.083 3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 311 -42.067 1.728 4.855 1.00 0.00 H new ATOM 1001 N GLU A 312 -47.155 0.574 0.119 1.00 0.00 N ATOM 1002 CA GLU A 312 -48.437 1.056 -0.382 1.00 0.00 C ATOM 1003 C GLU A 312 -49.066 0.033 -1.319 1.00 0.00 C ATOM 1004 O GLU A 312 -50.276 -0.192 -1.288 1.00 0.00 O ATOM 1005 CB GLU A 312 -48.264 2.393 -1.105 1.00 0.00 C ATOM 1006 CG GLU A 312 -47.736 3.503 -0.211 1.00 0.00 C ATOM 1007 CD GLU A 312 -47.583 4.821 -0.945 1.00 0.00 C ATOM 1008 OE1 GLU A 312 -46.806 4.869 -1.922 1.00 0.00 O ATOM 1009 OE2 GLU A 312 -48.240 5.804 -0.544 1.00 0.00 O ATOM 0 H GLU A 312 -46.360 1.170 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 312 -49.100 1.203 0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 312 -47.581 2.257 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 312 -49.224 2.699 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 312 -48.413 3.638 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 312 -46.771 3.206 0.199 1.00 0.00 H new ATOM 1016 N SER A 313 -48.234 -0.589 -2.147 1.00 0.00 N ATOM 1017 CA SER A 313 -48.706 -1.594 -3.089 1.00 0.00 C ATOM 1018 C SER A 313 -49.316 -2.778 -2.350 1.00 0.00 C ATOM 1019 O SER A 313 -50.372 -3.285 -2.733 1.00 0.00 O ATOM 1020 CB SER A 313 -47.561 -2.067 -3.986 1.00 0.00 C ATOM 1021 OG SER A 313 -47.002 -0.986 -4.712 1.00 0.00 O ATOM 0 H SER A 313 -47.230 -0.414 -2.184 1.00 0.00 H new ATOM 0 HA SER A 313 -49.476 -1.140 -3.714 1.00 0.00 H new ATOM 0 HB2 SER A 313 -46.789 -2.538 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 313 -47.927 -2.824 -4.679 1.00 0.00 H new ATOM 0 HG SER A 313 -46.538 -0.382 -4.095 1.00 0.00 H new ATOM 1027 N LEU A 314 -48.650 -3.212 -1.284 1.00 0.00 N ATOM 1028 CA LEU A 314 -49.135 -4.333 -0.490 1.00 0.00 C ATOM 1029 C LEU A 314 -50.499 -4.010 0.111 1.00 0.00 C ATOM 1030 O LEU A 314 -51.420 -4.829 0.067 1.00 0.00 O ATOM 1031 CB LEU A 314 -48.137 -4.675 0.620 1.00 0.00 C ATOM 1032 CG LEU A 314 -46.744 -5.090 0.140 1.00 0.00 C ATOM 1033 CD1 LEU A 314 -45.836 -5.377 1.325 1.00 0.00 C ATOM 1034 CD2 LEU A 314 -46.831 -6.306 -0.772 1.00 0.00 C ATOM 0 H LEU A 314 -47.776 -2.805 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 314 -49.238 -5.198 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -48.035 -3.809 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -48.552 -5.483 1.223 1.00 0.00 H new ATOM 0 HG LEU A 314 -46.318 -4.264 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -44.850 -5.671 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -45.746 -4.481 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -46.260 -6.185 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -45.831 -6.585 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -47.279 -7.138 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -47.446 -6.067 -1.640 1.00 0.00 H new ATOM 1046 N ARG A 315 -50.624 -2.805 0.662 1.00 0.00 N ATOM 1047 CA ARG A 315 -51.879 -2.366 1.261 1.00 0.00 C ATOM 1048 C ARG A 315 -52.997 -2.392 0.227 1.00 0.00 C ATOM 1049 O ARG A 315 -54.108 -2.840 0.507 1.00 0.00 O ATOM 1050 CB ARG A 315 -51.733 -0.955 1.834 1.00 0.00 C ATOM 1051 CG ARG A 315 -52.997 -0.438 2.502 1.00 0.00 C ATOM 1052 CD ARG A 315 -52.817 0.983 3.014 1.00 0.00 C ATOM 1053 NE ARG A 315 -54.017 1.483 3.683 1.00 0.00 N ATOM 1054 CZ ARG A 315 -55.186 1.665 3.073 1.00 0.00 C ATOM 1055 NH1 ARG A 315 -55.313 1.413 1.777 1.00 0.00 N ATOM 1056 NH2 ARG A 315 -56.230 2.106 3.760 1.00 0.00 N ATOM 0 H ARG A 315 -49.872 -2.117 0.705 1.00 0.00 H new ATOM 0 HA ARG A 315 -52.131 -3.050 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -50.919 -0.948 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -51.450 -0.273 1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -53.823 -0.468 1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -53.266 -1.093 3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 315 -51.976 1.014 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -52.567 1.639 2.180 1.00 0.00 H new ATOM 0 HE ARG A 315 -53.955 1.706 4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -54.512 1.078 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -56.212 1.555 1.316 1.00 0.00 H new ATOM 0 HH21 ARG A 315 -56.138 2.306 4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 315 -57.126 2.246 3.293 1.00 0.00 H new ATOM 1070 N GLU A 316 -52.687 -1.912 -0.974 1.00 0.00 N ATOM 1071 CA GLU A 316 -53.655 -1.881 -2.062 1.00 0.00 C ATOM 1072 C GLU A 316 -54.150 -3.288 -2.376 1.00 0.00 C ATOM 1073 O GLU A 316 -55.342 -3.505 -2.592 1.00 0.00 O ATOM 1074 CB GLU A 316 -53.028 -1.253 -3.310 1.00 0.00 C ATOM 1075 CG GLU A 316 -53.973 -1.177 -4.498 1.00 0.00 C ATOM 1076 CD GLU A 316 -55.201 -0.335 -4.215 1.00 0.00 C ATOM 1077 OE1 GLU A 316 -55.041 0.868 -3.917 1.00 0.00 O ATOM 1078 OE2 GLU A 316 -56.324 -0.877 -4.291 1.00 0.00 O ATOM 0 H GLU A 316 -51.770 -1.538 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 316 -54.506 -1.274 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 316 -52.684 -0.248 -3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 316 -52.148 -1.831 -3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 316 -53.442 -0.761 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 316 -54.284 -2.184 -4.775 1.00 0.00 H new ATOM 1085 N ALA A 317 -53.222 -4.241 -2.395 1.00 0.00 N ATOM 1086 CA ALA A 317 -53.557 -5.631 -2.678 1.00 0.00 C ATOM 1087 C ALA A 317 -54.537 -6.178 -1.645 1.00 0.00 C ATOM 1088 O ALA A 317 -55.513 -6.843 -1.994 1.00 0.00 O ATOM 1089 CB ALA A 317 -52.296 -6.481 -2.712 1.00 0.00 C ATOM 0 H ALA A 317 -52.231 -4.074 -2.217 1.00 0.00 H new ATOM 0 HA ALA A 317 -54.037 -5.673 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -52.561 -7.517 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -51.628 -6.110 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -51.794 -6.426 -1.746 1.00 0.00 H new ATOM 1095 N GLU A 318 -54.270 -5.891 -0.374 1.00 0.00 N ATOM 1096 CA GLU A 318 -55.131 -6.354 0.711 1.00 0.00 C ATOM 1097 C GLU A 318 -56.541 -5.789 0.564 1.00 0.00 C ATOM 1098 O GLU A 318 -57.524 -6.533 0.576 1.00 0.00 O ATOM 1099 CB GLU A 318 -54.541 -5.945 2.064 1.00 0.00 C ATOM 1100 CG GLU A 318 -55.367 -6.399 3.259 1.00 0.00 C ATOM 1101 CD GLU A 318 -55.432 -7.910 3.396 1.00 0.00 C ATOM 1102 OE1 GLU A 318 -54.792 -8.612 2.583 1.00 0.00 O ATOM 1103 OE2 GLU A 318 -56.119 -8.391 4.321 1.00 0.00 O ATOM 0 H GLU A 318 -53.466 -5.341 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 318 -55.189 -7.441 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 318 -53.536 -6.358 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 318 -54.443 -4.860 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 318 -54.943 -5.975 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 318 -56.379 -6.004 3.165 1.00 0.00 H new ATOM 1110 N GLU A 319 -56.633 -4.469 0.420 1.00 0.00 N ATOM 1111 CA GLU A 319 -57.922 -3.804 0.266 1.00 0.00 C ATOM 1112 C GLU A 319 -58.711 -4.425 -0.881 1.00 0.00 C ATOM 1113 O GLU A 319 -59.910 -4.678 -0.759 1.00 0.00 O ATOM 1114 CB GLU A 319 -57.720 -2.308 0.017 1.00 0.00 C ATOM 1115 CG GLU A 319 -59.019 -1.531 -0.121 1.00 0.00 C ATOM 1116 CD GLU A 319 -58.790 -0.052 -0.365 1.00 0.00 C ATOM 1117 OE1 GLU A 319 -58.169 0.603 0.499 1.00 0.00 O ATOM 1118 OE2 GLU A 319 -59.231 0.451 -1.420 1.00 0.00 O ATOM 0 H GLU A 319 -55.830 -3.840 0.407 1.00 0.00 H new ATOM 0 HA GLU A 319 -58.489 -3.934 1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -57.141 -1.887 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -57.130 -2.176 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -59.600 -1.946 -0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -59.612 -1.659 0.784 1.00 0.00 H new ATOM 1125 N ALA A 320 -58.023 -4.677 -1.989 1.00 0.00 N ATOM 1126 CA ALA A 320 -58.649 -5.280 -3.157 1.00 0.00 C ATOM 1127 C ALA A 320 -59.147 -6.685 -2.837 1.00 0.00 C ATOM 1128 O ALA A 320 -60.203 -7.104 -3.313 1.00 0.00 O ATOM 1129 CB ALA A 320 -57.670 -5.315 -4.321 1.00 0.00 C ATOM 0 H ALA A 320 -57.030 -4.472 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 320 -59.507 -4.671 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -58.151 -5.768 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -57.361 -4.299 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -56.795 -5.903 -4.043 1.00 0.00 H new ATOM 1135 N LYS A 321 -58.377 -7.408 -2.027 1.00 0.00 N ATOM 1136 CA LYS A 321 -58.735 -8.767 -1.641 1.00 0.00 C ATOM 1137 C LYS A 321 -60.079 -8.781 -0.918 1.00 0.00 C ATOM 1138 O LYS A 321 -60.939 -9.612 -1.207 1.00 0.00 O ATOM 1139 CB LYS A 321 -57.637 -9.371 -0.756 1.00 0.00 C ATOM 1140 CG LYS A 321 -57.772 -10.873 -0.528 1.00 0.00 C ATOM 1141 CD LYS A 321 -58.852 -11.209 0.490 1.00 0.00 C ATOM 1142 CE LYS A 321 -58.495 -10.695 1.876 1.00 0.00 C ATOM 1143 NZ LYS A 321 -57.224 -11.288 2.377 1.00 0.00 N ATOM 0 H LYS A 321 -57.501 -7.073 -1.626 1.00 0.00 H new ATOM 0 HA LYS A 321 -58.828 -9.374 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -56.667 -9.170 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -57.646 -8.866 0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -58.003 -11.362 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -56.817 -11.274 -0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -59.800 -10.774 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -58.994 -12.289 0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -58.403 -9.609 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -59.303 -10.929 2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -57.351 -11.601 3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -56.964 -12.103 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -56.468 -10.575 2.335 1.00 0.00 H new ATOM 1157 N LEU A 322 -60.258 -7.855 0.021 1.00 0.00 N ATOM 1158 CA LEU A 322 -61.508 -7.769 0.772 1.00 0.00 C ATOM 1159 C LEU A 322 -62.674 -7.392 -0.138 1.00 0.00 C ATOM 1160 O LEU A 322 -63.745 -7.995 -0.071 1.00 0.00 O ATOM 1161 CB LEU A 322 -61.392 -6.757 1.912 1.00 0.00 C ATOM 1162 CG LEU A 322 -60.627 -7.237 3.149 1.00 0.00 C ATOM 1163 CD1 LEU A 322 -59.160 -7.471 2.827 1.00 0.00 C ATOM 1164 CD2 LEU A 322 -60.769 -6.233 4.284 1.00 0.00 C ATOM 0 H LEU A 322 -59.559 -7.158 0.279 1.00 0.00 H new ATOM 0 HA LEU A 322 -61.702 -8.755 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -60.903 -5.861 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -62.397 -6.466 2.219 1.00 0.00 H new ATOM 0 HG LEU A 322 -61.059 -8.186 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -58.641 -7.811 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -59.075 -8.229 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -58.711 -6.541 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -60.220 -6.589 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -60.367 -5.270 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -61.822 -6.120 4.540 1.00 0.00 H new