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+ 136:sc= -3.46! (180deg=-6.22!) USER MOD Single : A 270 SER OG : rot 68:sc= 0.111 USER MOD Single : A 272 LYS NZ :NH3+ -168:sc= -0.0275 (180deg=-0.248) USER MOD Single : A 307 LYS NZ :NH3+ 166:sc= -0.0258 (180deg=-0.255) USER MOD Single : A 311 GLN : amide:sc= -2.02! C(o=-2!,f=-5.4!) USER MOD Single : A 313 SER OG : rot 68:sc= 0.288 USER MOD Single : A 321 LYS NZ :NH3+ 137:sc= -0.0337 (180deg=-0.334) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 -58.510 -11.190 1.338 1.00 0.00 N ATOM 156 CA GLU A 259 -57.061 -11.008 1.364 1.00 0.00 C ATOM 157 C GLU A 259 -56.596 -10.050 0.272 1.00 0.00 C ATOM 158 O GLU A 259 -55.682 -9.252 0.486 1.00 0.00 O ATOM 159 CB GLU A 259 -56.357 -12.356 1.201 1.00 0.00 C ATOM 160 CG GLU A 259 -56.684 -13.352 2.301 1.00 0.00 C ATOM 161 CD GLU A 259 -55.970 -14.677 2.118 1.00 0.00 C ATOM 162 OE1 GLU A 259 -54.721 -14.681 2.097 1.00 0.00 O ATOM 163 OE2 GLU A 259 -56.659 -15.711 1.995 1.00 0.00 O ATOM 0 HA GLU A 259 -56.800 -10.574 2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -56.634 -12.787 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -55.279 -12.193 1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -56.409 -12.926 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -57.760 -13.523 2.323 1.00 0.00 H new ATOM 170 N GLU A 260 -57.224 -10.136 -0.898 1.00 0.00 N ATOM 171 CA GLU A 260 -56.867 -9.276 -2.022 1.00 0.00 C ATOM 172 C GLU A 260 -56.860 -7.809 -1.603 1.00 0.00 C ATOM 173 O GLU A 260 -55.970 -7.051 -1.989 1.00 0.00 O ATOM 174 CB GLU A 260 -57.838 -9.484 -3.185 1.00 0.00 C ATOM 175 CG GLU A 260 -57.848 -10.906 -3.723 1.00 0.00 C ATOM 176 CD GLU A 260 -58.799 -11.083 -4.892 1.00 0.00 C ATOM 177 OE1 GLU A 260 -58.609 -10.400 -5.921 1.00 0.00 O ATOM 178 OE2 GLU A 260 -59.732 -11.905 -4.779 1.00 0.00 O ATOM 0 H GLU A 260 -57.981 -10.791 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 260 -55.863 -9.547 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 260 -58.844 -9.221 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 260 -57.576 -8.801 -3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 260 -56.840 -11.179 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 260 -58.130 -11.591 -2.923 1.00 0.00 H new ATOM 185 N GLU A 261 -57.850 -7.418 -0.804 1.00 0.00 N ATOM 186 CA GLU A 261 -57.945 -6.043 -0.326 1.00 0.00 C ATOM 187 C GLU A 261 -56.679 -5.662 0.434 1.00 0.00 C ATOM 188 O GLU A 261 -56.096 -4.600 0.203 1.00 0.00 O ATOM 189 CB GLU A 261 -59.172 -5.876 0.575 1.00 0.00 C ATOM 190 CG GLU A 261 -59.353 -4.463 1.108 1.00 0.00 C ATOM 191 CD GLU A 261 -59.548 -3.441 0.004 1.00 0.00 C ATOM 192 OE1 GLU A 261 -60.527 -3.573 -0.761 1.00 0.00 O ATOM 193 OE2 GLU A 261 -58.724 -2.508 -0.094 1.00 0.00 O ATOM 0 H GLU A 261 -58.595 -8.032 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 261 -58.052 -5.382 -1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 261 -60.063 -6.161 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 261 -59.090 -6.564 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 261 -60.214 -4.439 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 261 -58.481 -4.189 1.702 1.00 0.00 H new ATOM 200 N LEU A 262 -56.250 -6.548 1.330 1.00 0.00 N ATOM 201 CA LEU A 262 -55.043 -6.319 2.112 1.00 0.00 C ATOM 202 C LEU A 262 -53.843 -6.170 1.187 1.00 0.00 C ATOM 203 O LEU A 262 -52.933 -5.386 1.450 1.00 0.00 O ATOM 204 CB LEU A 262 -54.809 -7.470 3.094 1.00 0.00 C ATOM 205 CG LEU A 262 -55.904 -7.661 4.147 1.00 0.00 C ATOM 206 CD1 LEU A 262 -55.571 -8.835 5.054 1.00 0.00 C ATOM 207 CD2 LEU A 262 -56.086 -6.390 4.965 1.00 0.00 C ATOM 0 H LEU A 262 -56.722 -7.430 1.531 1.00 0.00 H new ATOM 0 HA LEU A 262 -55.170 -5.399 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -54.707 -8.395 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -53.861 -7.303 3.605 1.00 0.00 H new ATOM 0 HG LEU A 262 -56.841 -7.877 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -56.360 -8.956 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -55.491 -9.744 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -54.623 -8.647 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -56.868 -6.545 5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -55.151 -6.144 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -56.369 -5.570 4.305 1.00 0.00 H new ATOM 219 N ILE A 263 -53.856 -6.928 0.094 1.00 0.00 N ATOM 220 CA ILE A 263 -52.779 -6.877 -0.883 1.00 0.00 C ATOM 221 C ILE A 263 -52.727 -5.506 -1.547 1.00 0.00 C ATOM 222 O ILE A 263 -51.650 -4.958 -1.781 1.00 0.00 O ATOM 223 CB ILE A 263 -52.951 -7.963 -1.966 1.00 0.00 C ATOM 224 CG1 ILE A 263 -52.984 -9.352 -1.323 1.00 0.00 C ATOM 225 CG2 ILE A 263 -51.829 -7.873 -2.993 1.00 0.00 C ATOM 226 CD1 ILE A 263 -53.242 -10.474 -2.306 1.00 0.00 C ATOM 0 H ILE A 263 -54.602 -7.584 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 263 -51.846 -7.061 -0.351 1.00 0.00 H new ATOM 0 HB ILE A 263 -53.898 -7.797 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 263 -52.033 -9.533 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 263 -53.758 -9.369 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 263 -51.965 -8.646 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 263 -51.849 -6.892 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 263 -50.869 -8.016 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 263 -53.251 -11.427 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 263 -54.206 -10.319 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 263 -52.455 -10.485 -3.060 1.00 0.00 H new ATOM 238 N ARG A 264 -53.902 -4.954 -1.844 1.00 0.00 N ATOM 239 CA ARG A 264 -53.995 -3.644 -2.476 1.00 0.00 C ATOM 240 C ARG A 264 -53.387 -2.568 -1.580 1.00 0.00 C ATOM 241 O ARG A 264 -52.493 -1.827 -1.997 1.00 0.00 O ATOM 242 CB ARG A 264 -55.456 -3.295 -2.769 1.00 0.00 C ATOM 243 CG ARG A 264 -56.199 -4.331 -3.604 1.00 0.00 C ATOM 244 CD ARG A 264 -55.632 -4.453 -5.011 1.00 0.00 C ATOM 245 NE ARG A 264 -54.351 -5.154 -5.036 1.00 0.00 N ATOM 246 CZ ARG A 264 -53.679 -5.422 -6.153 1.00 0.00 C ATOM 247 NH1 ARG A 264 -54.153 -5.028 -7.328 1.00 0.00 N ATOM 248 NH2 ARG A 264 -52.532 -6.083 -6.096 1.00 0.00 N ATOM 0 H ARG A 264 -54.802 -5.396 -1.656 1.00 0.00 H new ATOM 0 HA ARG A 264 -53.439 -3.683 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 264 -55.982 -3.165 -1.823 1.00 0.00 H new ATOM 0 HB3 ARG A 264 -55.490 -2.337 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 264 -56.146 -5.300 -3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 264 -57.253 -4.060 -3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 264 -56.345 -4.983 -5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 264 -55.507 -3.458 -5.437 1.00 0.00 H new ATOM 0 HE ARG A 264 -53.949 -5.455 -4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 264 -55.035 -4.518 -7.377 1.00 0.00 H new ATOM 0 HH12 ARG A 264 -53.635 -5.235 -8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 264 -52.163 -6.387 -5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 264 -52.018 -6.288 -6.953 1.00 0.00 H new ATOM 262 N LYS A 265 -53.877 -2.489 -0.345 1.00 0.00 N ATOM 263 CA LYS A 265 -53.380 -1.502 0.608 1.00 0.00 C ATOM 264 C LYS A 265 -51.894 -1.713 0.879 1.00 0.00 C ATOM 265 O LYS A 265 -51.140 -0.751 1.029 1.00 0.00 O ATOM 266 CB LYS A 265 -54.176 -1.560 1.914 1.00 0.00 C ATOM 267 CG LYS A 265 -54.131 -2.913 2.605 1.00 0.00 C ATOM 268 CD LYS A 265 -54.952 -2.924 3.890 1.00 0.00 C ATOM 269 CE LYS A 265 -54.337 -2.046 4.973 1.00 0.00 C ATOM 270 NZ LYS A 265 -54.384 -0.597 4.626 1.00 0.00 N ATOM 0 H LYS A 265 -54.614 -3.094 0.017 1.00 0.00 H new ATOM 0 HA LYS A 265 -53.512 -0.513 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 265 -53.791 -0.802 2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 265 -55.215 -1.304 1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 265 -54.508 -3.679 1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 265 -53.097 -3.170 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 265 -55.964 -2.579 3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 265 -55.035 -3.947 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 265 -54.865 -2.209 5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 265 -53.301 -2.345 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 -54.686 -0.050 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 -53.439 -0.281 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 -55.060 -0.448 3.850 1.00 0.00 H new ATOM 284 N ALA A 266 -51.476 -2.975 0.932 1.00 0.00 N ATOM 285 CA ALA A 266 -50.076 -3.303 1.172 1.00 0.00 C ATOM 286 C ALA A 266 -49.193 -2.681 0.098 1.00 0.00 C ATOM 287 O ALA A 266 -48.176 -2.054 0.399 1.00 0.00 O ATOM 288 CB ALA A 266 -49.881 -4.811 1.216 1.00 0.00 C ATOM 0 H ALA A 266 -52.086 -3.784 0.812 1.00 0.00 H new ATOM 0 HA ALA A 266 -49.786 -2.891 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 266 -48.830 -5.037 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 266 -50.485 -5.233 2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 266 -50.188 -5.245 0.265 1.00 0.00 H new ATOM 294 N ILE A 267 -49.600 -2.843 -1.159 1.00 0.00 N ATOM 295 CA ILE A 267 -48.855 -2.281 -2.275 1.00 0.00 C ATOM 296 C ILE A 267 -48.797 -0.764 -2.153 1.00 0.00 C ATOM 297 O ILE A 267 -47.760 -0.153 -2.408 1.00 0.00 O ATOM 298 CB ILE A 267 -49.475 -2.668 -3.633 1.00 0.00 C ATOM 299 CG1 ILE A 267 -49.436 -4.188 -3.815 1.00 0.00 C ATOM 300 CG2 ILE A 267 -48.739 -1.970 -4.770 1.00 0.00 C ATOM 301 CD1 ILE A 267 -50.026 -4.662 -5.126 1.00 0.00 C ATOM 0 H ILE A 267 -50.439 -3.358 -1.426 1.00 0.00 H new ATOM 0 HA ILE A 267 -47.847 -2.694 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 267 -50.516 -2.344 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 267 -48.402 -4.526 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 267 -49.977 -4.657 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 267 -49.188 -2.253 -5.722 1.00 0.00 H new ATOM 0 HG22 ILE A 267 -48.811 -0.890 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 267 -47.690 -2.267 -4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 267 -49.962 -5.749 -5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 267 -51.070 -4.356 -5.187 1.00 0.00 H new ATOM 0 HD13 ILE A 267 -49.471 -4.223 -5.955 1.00 0.00 H new ATOM 313 N GLU A 268 -49.914 -0.165 -1.742 1.00 0.00 N ATOM 314 CA GLU A 268 -49.980 1.281 -1.564 1.00 0.00 C ATOM 315 C GLU A 268 -48.889 1.734 -0.598 1.00 0.00 C ATOM 316 O GLU A 268 -48.178 2.710 -0.853 1.00 0.00 O ATOM 317 CB GLU A 268 -51.357 1.693 -1.036 1.00 0.00 C ATOM 318 CG GLU A 268 -51.513 3.192 -0.825 1.00 0.00 C ATOM 319 CD GLU A 268 -51.432 3.985 -2.117 1.00 0.00 C ATOM 320 OE1 GLU A 268 -51.304 3.364 -3.193 1.00 0.00 O ATOM 321 OE2 GLU A 268 -51.502 5.231 -2.051 1.00 0.00 O ATOM 0 H GLU A 268 -50.781 -0.658 -1.527 1.00 0.00 H new ATOM 0 HA GLU A 268 -49.823 1.761 -2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 268 -52.120 1.353 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 268 -51.541 1.182 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 268 -52.472 3.388 -0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 268 -50.738 3.540 -0.143 1.00 0.00 H new ATOM 328 N LEU A 269 -48.749 0.999 0.503 1.00 0.00 N ATOM 329 CA LEU A 269 -47.731 1.303 1.500 1.00 0.00 C ATOM 330 C LEU A 269 -46.350 1.227 0.865 1.00 0.00 C ATOM 331 O LEU A 269 -45.496 2.083 1.100 1.00 0.00 O ATOM 332 CB LEU A 269 -47.821 0.330 2.679 1.00 0.00 C ATOM 333 CG LEU A 269 -49.129 0.382 3.472 1.00 0.00 C ATOM 334 CD1 LEU A 269 -49.132 -0.676 4.564 1.00 0.00 C ATOM 335 CD2 LEU A 269 -49.335 1.766 4.072 1.00 0.00 C ATOM 0 H LEU A 269 -49.328 0.190 0.725 1.00 0.00 H new ATOM 0 HA LEU A 269 -47.900 2.313 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -47.683 -0.684 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -46.994 0.533 3.360 1.00 0.00 H new ATOM 0 HG LEU A 269 -49.953 0.176 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -50.069 -0.625 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -49.030 -1.664 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -48.299 -0.499 5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -50.270 1.784 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -48.507 2.000 4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -49.376 2.506 3.273 1.00 0.00 H new ATOM 347 N SER A 270 -46.147 0.200 0.044 1.00 0.00 N ATOM 348 CA SER A 270 -44.879 0.011 -0.647 1.00 0.00 C ATOM 349 C SER A 270 -44.578 1.219 -1.527 1.00 0.00 C ATOM 350 O SER A 270 -43.439 1.680 -1.599 1.00 0.00 O ATOM 351 CB SER A 270 -44.920 -1.261 -1.496 1.00 0.00 C ATOM 352 OG SER A 270 -45.191 -2.400 -0.697 1.00 0.00 O ATOM 0 H SER A 270 -46.847 -0.514 -0.158 1.00 0.00 H new ATOM 0 HA SER A 270 -44.088 -0.091 0.096 1.00 0.00 H new ATOM 0 HB2 SER A 270 -45.685 -1.163 -2.266 1.00 0.00 H new ATOM 0 HB3 SER A 270 -43.967 -1.391 -2.008 1.00 0.00 H new ATOM 0 HG SER A 270 -46.111 -2.353 -0.362 1.00 0.00 H new ATOM 358 N LEU A 271 -45.615 1.731 -2.186 1.00 0.00 N ATOM 359 CA LEU A 271 -45.472 2.894 -3.052 1.00 0.00 C ATOM 360 C LEU A 271 -44.968 4.090 -2.255 1.00 0.00 C ATOM 361 O LEU A 271 -44.084 4.820 -2.703 1.00 0.00 O ATOM 362 CB LEU A 271 -46.810 3.234 -3.715 1.00 0.00 C ATOM 363 CG LEU A 271 -47.387 2.140 -4.616 1.00 0.00 C ATOM 364 CD1 LEU A 271 -48.747 2.556 -5.154 1.00 0.00 C ATOM 365 CD2 LEU A 271 -46.431 1.830 -5.760 1.00 0.00 C ATOM 0 H LEU A 271 -46.563 1.357 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 271 -44.745 2.657 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -47.537 3.461 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -46.684 4.141 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 271 -47.514 1.236 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -49.143 1.766 -5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -49.431 2.727 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -48.644 3.474 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -46.858 1.050 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -46.271 2.730 -6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -45.478 1.488 -5.356 1.00 0.00 H new ATOM 377 N LYS A 272 -45.535 4.276 -1.065 1.00 0.00 N ATOM 378 CA LYS A 272 -45.142 5.378 -0.193 1.00 0.00 C ATOM 379 C LYS A 272 -43.641 5.339 0.077 1.00 0.00 C ATOM 380 O LYS A 272 -42.990 6.380 0.170 1.00 0.00 O ATOM 381 CB LYS A 272 -45.915 5.316 1.127 1.00 0.00 C ATOM 382 CG LYS A 272 -47.427 5.352 0.952 1.00 0.00 C ATOM 383 CD LYS A 272 -47.886 6.615 0.237 1.00 0.00 C ATOM 384 CE LYS A 272 -47.550 7.867 1.032 1.00 0.00 C ATOM 385 NZ LYS A 272 -48.199 7.865 2.373 1.00 0.00 N ATOM 0 H LYS A 272 -46.268 3.678 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 272 -45.381 6.315 -0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 272 -45.641 4.403 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 272 -45.611 6.153 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 272 -47.748 4.477 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 272 -47.907 5.293 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 272 -47.414 6.670 -0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 272 -48.962 6.568 0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 272 -46.469 7.942 1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 272 -47.870 8.747 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 -48.117 8.810 2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 -49.204 7.617 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 -47.730 7.167 2.985 1.00 0.00 H new ATOM 892 N ASP A 305 40.490 4.694 -0.553 1.00 0.00 N ATOM 893 CA ASP A 305 41.085 3.470 -0.031 1.00 0.00 C ATOM 894 C ASP A 305 41.882 2.747 -1.112 1.00 0.00 C ATOM 895 O ASP A 305 42.934 2.172 -0.835 1.00 0.00 O ATOM 896 CB ASP A 305 39.997 2.547 0.518 1.00 0.00 C ATOM 897 CG ASP A 305 39.178 3.207 1.610 1.00 0.00 C ATOM 898 OD1 ASP A 305 39.769 3.607 2.635 1.00 0.00 O ATOM 899 OD2 ASP A 305 37.946 3.323 1.441 1.00 0.00 O ATOM 0 HA ASP A 305 41.766 3.741 0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 305 39.337 2.244 -0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 305 40.457 1.640 0.910 1.00 0.00 H new ATOM 904 N LEU A 306 41.372 2.777 -2.341 1.00 0.00 N ATOM 905 CA LEU A 306 42.039 2.121 -3.462 1.00 0.00 C ATOM 906 C LEU A 306 43.463 2.649 -3.607 1.00 0.00 C ATOM 907 O LEU A 306 44.416 1.874 -3.700 1.00 0.00 O ATOM 908 CB LEU A 306 41.246 2.352 -4.758 1.00 0.00 C ATOM 909 CG LEU A 306 41.587 1.420 -5.930 1.00 0.00 C ATOM 910 CD1 LEU A 306 40.616 1.641 -7.079 1.00 0.00 C ATOM 911 CD2 LEU A 306 43.016 1.634 -6.408 1.00 0.00 C ATOM 0 H LEU A 306 40.501 3.248 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 306 42.084 1.049 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 306 40.184 2.249 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 306 41.405 3.381 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 306 41.497 0.393 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 306 40.869 0.974 -7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 306 39.600 1.432 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 306 40.681 2.675 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 306 43.227 0.960 -7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 306 43.139 2.666 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 306 43.707 1.430 -5.590 1.00 0.00 H new ATOM 923 N LYS A 307 43.601 3.972 -3.615 1.00 0.00 N ATOM 924 CA LYS A 307 44.910 4.603 -3.737 1.00 0.00 C ATOM 925 C LYS A 307 45.817 4.169 -2.592 1.00 0.00 C ATOM 926 O LYS A 307 47.006 3.917 -2.786 1.00 0.00 O ATOM 927 CB LYS A 307 44.771 6.126 -3.745 1.00 0.00 C ATOM 928 CG LYS A 307 43.933 6.656 -4.898 1.00 0.00 C ATOM 929 CD LYS A 307 43.832 8.173 -4.860 1.00 0.00 C ATOM 930 CE LYS A 307 42.997 8.706 -6.013 1.00 0.00 C ATOM 931 NZ LYS A 307 41.614 8.155 -6.001 1.00 0.00 N ATOM 0 H LYS A 307 42.823 4.627 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 307 45.357 4.287 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 307 44.323 6.446 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 307 45.764 6.573 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 307 44.374 6.343 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 307 42.934 6.222 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 307 43.389 8.485 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 307 44.831 8.606 -4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 307 42.954 9.794 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 307 43.480 8.454 -6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 41.014 8.710 -6.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 41.633 7.163 -6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 41.228 8.207 -5.037 1.00 0.00 H new ATOM 945 N ALA A 308 45.241 4.079 -1.397 1.00 0.00 N ATOM 946 CA ALA A 308 45.986 3.670 -0.214 1.00 0.00 C ATOM 947 C ALA A 308 46.489 2.236 -0.352 1.00 0.00 C ATOM 948 O ALA A 308 47.602 1.918 0.061 1.00 0.00 O ATOM 949 CB ALA A 308 45.118 3.811 1.028 1.00 0.00 C ATOM 0 H ALA A 308 44.257 4.285 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 308 46.853 4.323 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 308 45.686 3.502 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 308 44.811 4.851 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 308 44.234 3.181 0.928 1.00 0.00 H new ATOM 955 N ALA A 309 45.657 1.376 -0.934 1.00 0.00 N ATOM 956 CA ALA A 309 46.012 -0.025 -1.128 1.00 0.00 C ATOM 957 C ALA A 309 47.196 -0.167 -2.079 1.00 0.00 C ATOM 958 O ALA A 309 48.168 -0.860 -1.776 1.00 0.00 O ATOM 959 CB ALA A 309 44.816 -0.805 -1.653 1.00 0.00 C ATOM 0 H ALA A 309 44.731 1.627 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 309 46.305 -0.435 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 309 45.096 -1.849 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 309 43.997 -0.742 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 309 44.497 -0.384 -2.606 1.00 0.00 H new ATOM 965 N ILE A 310 47.111 0.497 -3.230 1.00 0.00 N ATOM 966 CA ILE A 310 48.179 0.446 -4.221 1.00 0.00 C ATOM 967 C ILE A 310 49.473 1.005 -3.641 1.00 0.00 C ATOM 968 O ILE A 310 50.542 0.409 -3.785 1.00 0.00 O ATOM 969 CB ILE A 310 47.811 1.237 -5.494 1.00 0.00 C ATOM 970 CG1 ILE A 310 46.489 0.728 -6.080 1.00 0.00 C ATOM 971 CG2 ILE A 310 48.927 1.138 -6.524 1.00 0.00 C ATOM 972 CD1 ILE A 310 46.510 -0.739 -6.459 1.00 0.00 C ATOM 0 H ILE A 310 46.314 1.075 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 310 48.319 -0.601 -4.491 1.00 0.00 H new ATOM 0 HB ILE A 310 47.685 2.285 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 310 45.693 0.894 -5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 310 46.243 1.318 -6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 310 48.651 1.702 -7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 310 49.846 1.549 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 310 49.085 0.093 -6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 310 45.540 -1.024 -6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 310 47.282 -0.910 -7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 310 46.723 -1.340 -5.575 1.00 0.00 H new ATOM 984 N GLN A 311 49.361 2.149 -2.975 1.00 0.00 N ATOM 985 CA GLN A 311 50.512 2.793 -2.357 1.00 0.00 C ATOM 986 C GLN A 311 51.127 1.870 -1.313 1.00 0.00 C ATOM 987 O GLN A 311 52.348 1.751 -1.215 1.00 0.00 O ATOM 988 CB GLN A 311 50.089 4.125 -1.725 1.00 0.00 C ATOM 989 CG GLN A 311 51.237 4.939 -1.138 1.00 0.00 C ATOM 990 CD GLN A 311 51.516 4.619 0.320 1.00 0.00 C ATOM 991 OE1 GLN A 311 51.919 3.510 0.666 1.00 0.00 O ATOM 992 NE2 GLN A 311 51.298 5.600 1.188 1.00 0.00 N ATOM 0 H GLN A 311 48.481 2.650 -2.850 1.00 0.00 H new ATOM 0 HA GLN A 311 51.263 2.997 -3.120 1.00 0.00 H new ATOM 0 HB2 GLN A 311 49.583 4.726 -2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 311 49.363 3.925 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 311 52.139 4.756 -1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 311 51.006 6.000 -1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 311 50.963 6.506 0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 311 51.465 5.447 2.183 1.00 0.00 H new ATOM 1001 N GLU A 312 50.266 1.212 -0.540 1.00 0.00 N ATOM 1002 CA GLU A 312 50.714 0.288 0.495 1.00 0.00 C ATOM 1003 C GLU A 312 51.525 -0.848 -0.116 1.00 0.00 C ATOM 1004 O GLU A 312 52.566 -1.234 0.414 1.00 0.00 O ATOM 1005 CB GLU A 312 49.514 -0.277 1.259 1.00 0.00 C ATOM 1006 CG GLU A 312 49.897 -1.239 2.372 1.00 0.00 C ATOM 1007 CD GLU A 312 48.689 -1.807 3.091 1.00 0.00 C ATOM 1008 OE1 GLU A 312 47.859 -2.466 2.430 1.00 0.00 O ATOM 1009 OE2 GLU A 312 48.572 -1.593 4.316 1.00 0.00 O ATOM 0 H GLU A 312 49.253 1.303 -0.612 1.00 0.00 H new ATOM 0 HA GLU A 312 51.350 0.835 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 312 48.944 0.549 1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 312 48.856 -0.790 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 312 50.485 -2.057 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 312 50.534 -0.723 3.091 1.00 0.00 H new ATOM 1016 N SER A 313 51.040 -1.373 -1.236 1.00 0.00 N ATOM 1017 CA SER A 313 51.722 -2.462 -1.928 1.00 0.00 C ATOM 1018 C SER A 313 53.120 -2.031 -2.353 1.00 0.00 C ATOM 1019 O SER A 313 54.090 -2.765 -2.167 1.00 0.00 O ATOM 1020 CB SER A 313 50.917 -2.906 -3.150 1.00 0.00 C ATOM 1021 OG SER A 313 49.635 -3.378 -2.775 1.00 0.00 O ATOM 0 H SER A 313 50.178 -1.063 -1.684 1.00 0.00 H new ATOM 0 HA SER A 313 51.809 -3.303 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 313 50.812 -2.071 -3.842 1.00 0.00 H new ATOM 0 HB3 SER A 313 51.457 -3.692 -3.678 1.00 0.00 H new ATOM 0 HG SER A 313 49.097 -2.631 -2.440 1.00 0.00 H new ATOM 1027 N LEU A 314 53.215 -0.830 -2.918 1.00 0.00 N ATOM 1028 CA LEU A 314 54.496 -0.295 -3.362 1.00 0.00 C ATOM 1029 C LEU A 314 55.452 -0.153 -2.184 1.00 0.00 C ATOM 1030 O LEU A 314 56.635 -0.477 -2.288 1.00 0.00 O ATOM 1031 CB LEU A 314 54.300 1.062 -4.042 1.00 0.00 C ATOM 1032 CG LEU A 314 53.421 1.043 -5.294 1.00 0.00 C ATOM 1033 CD1 LEU A 314 53.242 2.452 -5.840 1.00 0.00 C ATOM 1034 CD2 LEU A 314 54.022 0.132 -6.355 1.00 0.00 C ATOM 0 H LEU A 314 52.420 -0.211 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 314 54.927 -0.991 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 314 53.862 1.752 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 314 55.278 1.460 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 314 52.441 0.652 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 314 52.614 2.420 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 314 52.768 3.078 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 314 54.216 2.869 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 314 53.383 0.131 -7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 314 55.014 0.493 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 314 54.100 -0.882 -5.962 1.00 0.00 H new ATOM 1046 N ARG A 315 54.927 0.331 -1.062 1.00 0.00 N ATOM 1047 CA ARG A 315 55.727 0.515 0.143 1.00 0.00 C ATOM 1048 C ARG A 315 56.265 -0.822 0.642 1.00 0.00 C ATOM 1049 O ARG A 315 57.434 -0.933 1.011 1.00 0.00 O ATOM 1050 CB ARG A 315 54.895 1.186 1.239 1.00 0.00 C ATOM 1051 CG ARG A 315 55.680 1.489 2.506 1.00 0.00 C ATOM 1052 CD ARG A 315 56.817 2.464 2.239 1.00 0.00 C ATOM 1053 NE ARG A 315 56.335 3.733 1.696 1.00 0.00 N ATOM 1054 CZ ARG A 315 55.537 4.568 2.358 1.00 0.00 C ATOM 1055 NH1 ARG A 315 55.148 4.285 3.594 1.00 0.00 N ATOM 1056 NH2 ARG A 315 55.133 5.693 1.784 1.00 0.00 N ATOM 0 H ARG A 315 53.949 0.603 -0.963 1.00 0.00 H new ATOM 0 HA ARG A 315 56.571 1.159 -0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 315 54.479 2.115 0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 315 54.053 0.541 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 315 55.011 1.906 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 315 56.083 0.563 2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 315 57.361 2.649 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 315 57.523 2.015 1.540 1.00 0.00 H new ATOM 0 HE ARG A 315 56.627 3.994 0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 315 55.460 3.424 4.042 1.00 0.00 H new ATOM 0 HH12 ARG A 315 54.537 4.929 4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 315 55.434 5.918 0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 315 54.522 6.333 2.291 1.00 0.00 H new ATOM 1070 N GLU A 316 55.403 -1.836 0.645 1.00 0.00 N ATOM 1071 CA GLU A 316 55.792 -3.168 1.091 1.00 0.00 C ATOM 1072 C GLU A 316 56.942 -3.696 0.241 1.00 0.00 C ATOM 1073 O GLU A 316 57.916 -4.239 0.763 1.00 0.00 O ATOM 1074 CB GLU A 316 54.600 -4.126 1.014 1.00 0.00 C ATOM 1075 CG GLU A 316 54.919 -5.534 1.491 1.00 0.00 C ATOM 1076 CD GLU A 316 53.724 -6.462 1.405 1.00 0.00 C ATOM 1077 OE1 GLU A 316 52.699 -6.174 2.059 1.00 0.00 O ATOM 1078 OE2 GLU A 316 53.812 -7.477 0.683 1.00 0.00 O ATOM 0 H GLU A 316 54.432 -1.759 0.344 1.00 0.00 H new ATOM 0 HA GLU A 316 56.122 -3.102 2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 316 53.783 -3.725 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 316 54.247 -4.172 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 316 55.734 -5.941 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 316 55.270 -5.494 2.522 1.00 0.00 H new ATOM 1085 N ALA A 317 56.825 -3.520 -1.071 1.00 0.00 N ATOM 1086 CA ALA A 317 57.857 -3.964 -1.999 1.00 0.00 C ATOM 1087 C ALA A 317 59.166 -3.234 -1.730 1.00 0.00 C ATOM 1088 O ALA A 317 60.245 -3.821 -1.804 1.00 0.00 O ATOM 1089 CB ALA A 317 57.408 -3.743 -3.436 1.00 0.00 C ATOM 0 H ALA A 317 56.024 -3.072 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 317 58.022 -5.031 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 317 58.190 -4.080 -4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 317 56.495 -4.309 -3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 317 57.217 -2.682 -3.599 1.00 0.00 H new ATOM 1095 N GLU A 318 59.057 -1.947 -1.414 1.00 0.00 N ATOM 1096 CA GLU A 318 60.226 -1.125 -1.126 1.00 0.00 C ATOM 1097 C GLU A 318 60.967 -1.650 0.100 1.00 0.00 C ATOM 1098 O GLU A 318 62.196 -1.699 0.117 1.00 0.00 O ATOM 1099 CB GLU A 318 59.806 0.330 -0.900 1.00 0.00 C ATOM 1100 CG GLU A 318 60.970 1.262 -0.604 1.00 0.00 C ATOM 1101 CD GLU A 318 60.527 2.693 -0.371 1.00 0.00 C ATOM 1102 OE1 GLU A 318 59.936 3.290 -1.295 1.00 0.00 O ATOM 1103 OE2 GLU A 318 60.769 3.217 0.737 1.00 0.00 O ATOM 0 H GLU A 318 58.168 -1.450 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 318 60.898 -1.173 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 318 59.280 0.689 -1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 318 59.099 0.371 -0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 318 61.503 0.903 0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 318 61.673 1.234 -1.436 1.00 0.00 H new ATOM 1110 N GLU A 319 60.211 -2.037 1.124 1.00 0.00 N ATOM 1111 CA GLU A 319 60.796 -2.556 2.356 1.00 0.00 C ATOM 1112 C GLU A 319 61.499 -3.888 2.110 1.00 0.00 C ATOM 1113 O GLU A 319 62.627 -4.097 2.555 1.00 0.00 O ATOM 1114 CB GLU A 319 59.715 -2.730 3.426 1.00 0.00 C ATOM 1115 CG GLU A 319 58.983 -1.443 3.777 1.00 0.00 C ATOM 1116 CD GLU A 319 59.893 -0.392 4.387 1.00 0.00 C ATOM 1117 OE1 GLU A 319 60.833 0.056 3.697 1.00 0.00 O ATOM 1118 OE2 GLU A 319 59.665 -0.017 5.557 1.00 0.00 O ATOM 0 H GLU A 319 59.192 -2.001 1.125 1.00 0.00 H new ATOM 0 HA GLU A 319 61.535 -1.835 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 319 58.990 -3.466 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 319 60.173 -3.134 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 319 58.520 -1.037 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 319 58.177 -1.668 4.476 1.00 0.00 H new ATOM 1125 N ALA A 320 60.822 -4.787 1.399 1.00 0.00 N ATOM 1126 CA ALA A 320 61.379 -6.101 1.095 1.00 0.00 C ATOM 1127 C ALA A 320 62.654 -5.980 0.268 1.00 0.00 C ATOM 1128 O ALA A 320 63.646 -6.656 0.537 1.00 0.00 O ATOM 1129 CB ALA A 320 60.353 -6.952 0.363 1.00 0.00 C ATOM 0 H ALA A 320 59.887 -4.629 1.023 1.00 0.00 H new ATOM 0 HA ALA A 320 61.633 -6.587 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 320 60.782 -7.930 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 320 59.470 -7.076 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 320 60.071 -6.461 -0.568 1.00 0.00 H new ATOM 1135 N LYS A 321 62.617 -5.114 -0.739 1.00 0.00 N ATOM 1136 CA LYS A 321 63.768 -4.898 -1.609 1.00 0.00 C ATOM 1137 C LYS A 321 64.896 -4.220 -0.836 1.00 0.00 C ATOM 1138 O LYS A 321 66.068 -4.557 -1.007 1.00 0.00 O ATOM 1139 CB LYS A 321 63.355 -4.055 -2.824 1.00 0.00 C ATOM 1140 CG LYS A 321 64.384 -4.026 -3.949 1.00 0.00 C ATOM 1141 CD LYS A 321 65.546 -3.094 -3.641 1.00 0.00 C ATOM 1142 CE LYS A 321 66.562 -3.082 -4.771 1.00 0.00 C ATOM 1143 NZ LYS A 321 65.953 -2.657 -6.062 1.00 0.00 N ATOM 0 H LYS A 321 61.801 -4.549 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 321 64.132 -5.862 -1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 321 62.415 -4.443 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 321 63.166 -3.033 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 321 64.764 -5.034 -4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 321 63.901 -3.708 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 321 65.171 -2.084 -3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 321 66.031 -3.408 -2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 321 67.380 -2.408 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 321 66.992 -4.077 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 66.594 -1.997 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 65.795 -3.491 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 65.045 -2.185 -5.879 1.00 0.00 H new ATOM 1157 N LEU A 322 64.532 -3.266 0.019 1.00 0.00 N ATOM 1158 CA LEU A 322 65.511 -2.542 0.824 1.00 0.00 C ATOM 1159 C LEU A 322 66.323 -3.506 1.680 1.00 0.00 C ATOM 1160 O LEU A 322 67.554 -3.477 1.667 1.00 0.00 O ATOM 1161 CB LEU A 322 64.810 -1.516 1.719 1.00 0.00 C ATOM 1162 CG LEU A 322 65.735 -0.702 2.628 1.00 0.00 C ATOM 1163 CD1 LEU A 322 66.705 0.128 1.801 1.00 0.00 C ATOM 1164 CD2 LEU A 322 64.921 0.192 3.551 1.00 0.00 C ATOM 0 H LEU A 322 63.566 -2.977 0.171 1.00 0.00 H new ATOM 0 HA LEU A 322 66.188 -2.020 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 322 64.251 -0.827 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 322 64.083 -2.038 2.341 1.00 0.00 H new ATOM 0 HG LEU A 322 66.313 -1.395 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 322 67.353 0.699 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 322 67.312 -0.532 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 322 66.146 0.813 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 322 65.594 0.764 4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 322 64.318 0.877 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 322 64.268 -0.423 4.170 1.00 0.00 H new