USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=7 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+ -165:sc= -0.043 (180deg=-0.339) USER MOD Single : A 270 SER OG : rot -34:sc= 1.05 USER MOD Single : A 272 LYS NZ :NH3+ -134:sc= -0.0324 (180deg=-0.273) USER MOD Single : A 307 LYS NZ :NH3+ 168:sc= -0.043 (180deg=-0.224) USER MOD Single : A 311 GLN :FLIP amide:sc= -2! C(o=-2.7!,f=-2!) USER MOD Single : A 313 SER OG : rot 78:sc= 1.11 USER MOD Single : A 321 LYS NZ :NH3+ -168:sc= -0.03 (180deg=-0.22) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 -66.338 -1.331 -2.050 1.00 0.00 N ATOM 156 CA GLU A 259 -65.467 -1.727 -3.153 1.00 0.00 C ATOM 157 C GLU A 259 -64.250 -0.813 -3.249 1.00 0.00 C ATOM 158 O GLU A 259 -63.137 -1.272 -3.517 1.00 0.00 O ATOM 159 CB GLU A 259 -66.243 -1.710 -4.472 1.00 0.00 C ATOM 160 CG GLU A 259 -66.858 -0.358 -4.800 1.00 0.00 C ATOM 161 CD GLU A 259 -67.624 -0.368 -6.109 1.00 0.00 C ATOM 162 OE1 GLU A 259 -68.587 -1.154 -6.227 1.00 0.00 O ATOM 163 OE2 GLU A 259 -67.262 0.412 -7.015 1.00 0.00 O ATOM 0 HA GLU A 259 -65.116 -2.740 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -65.573 -2.001 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -67.034 -2.458 -4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -67.529 -0.063 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -66.070 0.393 -4.850 1.00 0.00 H new ATOM 170 N GLU A 260 -64.468 0.481 -3.033 1.00 0.00 N ATOM 171 CA GLU A 260 -63.388 1.456 -3.098 1.00 0.00 C ATOM 172 C GLU A 260 -62.262 1.078 -2.144 1.00 0.00 C ATOM 173 O GLU A 260 -61.088 1.293 -2.442 1.00 0.00 O ATOM 174 CB GLU A 260 -63.906 2.858 -2.773 1.00 0.00 C ATOM 175 CG GLU A 260 -62.854 3.943 -2.934 1.00 0.00 C ATOM 176 CD GLU A 260 -63.409 5.335 -2.708 1.00 0.00 C ATOM 177 OE1 GLU A 260 -64.603 5.452 -2.360 1.00 0.00 O ATOM 178 OE2 GLU A 260 -62.648 6.310 -2.878 1.00 0.00 O ATOM 0 H GLU A 260 -65.382 0.877 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 260 -62.995 1.457 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 260 -64.752 3.084 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 260 -64.277 2.872 -1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 260 -62.041 3.762 -2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 260 -62.428 3.884 -3.936 1.00 0.00 H new ATOM 185 N GLU A 261 -62.626 0.507 -0.998 1.00 0.00 N ATOM 186 CA GLU A 261 -61.642 0.089 -0.006 1.00 0.00 C ATOM 187 C GLU A 261 -60.644 -0.878 -0.637 1.00 0.00 C ATOM 188 O GLU A 261 -59.431 -0.727 -0.481 1.00 0.00 O ATOM 189 CB GLU A 261 -62.345 -0.569 1.189 1.00 0.00 C ATOM 190 CG GLU A 261 -61.418 -0.937 2.341 1.00 0.00 C ATOM 191 CD GLU A 261 -60.466 -2.069 2.002 1.00 0.00 C ATOM 192 OE1 GLU A 261 -60.949 -3.176 1.681 1.00 0.00 O ATOM 193 OE2 GLU A 261 -59.238 -1.849 2.057 1.00 0.00 O ATOM 0 H GLU A 261 -63.594 0.324 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 261 -61.101 0.966 0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 261 -63.114 0.108 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 261 -62.852 -1.470 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 261 -60.840 -0.059 2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 261 -62.018 -1.222 3.205 1.00 0.00 H new ATOM 200 N LEU A 262 -61.167 -1.863 -1.360 1.00 0.00 N ATOM 201 CA LEU A 262 -60.329 -2.850 -2.029 1.00 0.00 C ATOM 202 C LEU A 262 -59.464 -2.176 -3.088 1.00 0.00 C ATOM 203 O LEU A 262 -58.281 -2.488 -3.233 1.00 0.00 O ATOM 204 CB LEU A 262 -61.195 -3.936 -2.673 1.00 0.00 C ATOM 205 CG LEU A 262 -62.149 -4.660 -1.718 1.00 0.00 C ATOM 206 CD1 LEU A 262 -62.986 -5.679 -2.475 1.00 0.00 C ATOM 207 CD2 LEU A 262 -61.375 -5.335 -0.594 1.00 0.00 C ATOM 0 H LEU A 262 -62.169 -1.998 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 262 -59.680 -3.314 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -61.781 -3.484 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -60.540 -4.674 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 262 -62.818 -3.921 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -63.658 -6.185 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -63.570 -5.172 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -62.330 -6.412 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -62.071 -5.843 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -60.680 -6.061 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -60.818 -4.584 -0.033 1.00 0.00 H new ATOM 219 N ILE A 263 -60.068 -1.246 -3.823 1.00 0.00 N ATOM 220 CA ILE A 263 -59.364 -0.515 -4.871 1.00 0.00 C ATOM 221 C ILE A 263 -58.151 0.221 -4.307 1.00 0.00 C ATOM 222 O ILE A 263 -57.048 0.127 -4.848 1.00 0.00 O ATOM 223 CB ILE A 263 -60.296 0.503 -5.559 1.00 0.00 C ATOM 224 CG1 ILE A 263 -61.477 -0.218 -6.214 1.00 0.00 C ATOM 225 CG2 ILE A 263 -59.527 1.323 -6.587 1.00 0.00 C ATOM 226 CD1 ILE A 263 -62.482 0.716 -6.855 1.00 0.00 C ATOM 0 H ILE A 263 -61.047 -0.981 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 263 -59.030 -1.248 -5.605 1.00 0.00 H new ATOM 0 HB ILE A 263 -60.685 1.185 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 263 -61.097 -0.904 -6.971 1.00 0.00 H new ATOM 0 HG13 ILE A 263 -61.984 -0.822 -5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 263 -60.201 2.036 -7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 263 -58.719 1.862 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 263 -59.110 0.659 -7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 263 -63.289 0.133 -7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 263 -62.891 1.386 -6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 263 -61.990 1.303 -7.631 1.00 0.00 H new ATOM 238 N ARG A 264 -58.364 0.950 -3.217 1.00 0.00 N ATOM 239 CA ARG A 264 -57.292 1.700 -2.574 1.00 0.00 C ATOM 240 C ARG A 264 -56.191 0.763 -2.096 1.00 0.00 C ATOM 241 O ARG A 264 -55.005 1.059 -2.241 1.00 0.00 O ATOM 242 CB ARG A 264 -57.841 2.512 -1.398 1.00 0.00 C ATOM 243 CG ARG A 264 -58.872 3.555 -1.804 1.00 0.00 C ATOM 244 CD ARG A 264 -58.271 4.606 -2.727 1.00 0.00 C ATOM 245 NE ARG A 264 -57.171 5.330 -2.093 1.00 0.00 N ATOM 246 CZ ARG A 264 -57.318 6.124 -1.035 1.00 0.00 C ATOM 247 NH1 ARG A 264 -58.521 6.329 -0.513 1.00 0.00 N ATOM 248 NH2 ARG A 264 -56.262 6.723 -0.503 1.00 0.00 N ATOM 0 H ARG A 264 -59.271 1.037 -2.760 1.00 0.00 H new ATOM 0 HA ARG A 264 -56.868 2.386 -3.307 1.00 0.00 H new ATOM 0 HB2 ARG A 264 -58.291 1.831 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 264 -57.013 3.010 -0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 264 -59.708 3.066 -2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 264 -59.272 4.038 -0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 264 -57.911 4.126 -3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 264 -59.046 5.313 -3.024 1.00 0.00 H new ATOM 0 HE ARG A 264 -56.236 5.220 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 264 -59.338 5.877 -0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 264 -58.628 6.938 0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 264 -55.336 6.576 -0.904 1.00 0.00 H new ATOM 0 HH22 ARG A 264 -56.375 7.331 0.308 1.00 0.00 H new ATOM 262 N LYS A 265 -56.592 -0.371 -1.531 1.00 0.00 N ATOM 263 CA LYS A 265 -55.641 -1.359 -1.036 1.00 0.00 C ATOM 264 C LYS A 265 -54.713 -1.822 -2.155 1.00 0.00 C ATOM 265 O LYS A 265 -53.506 -1.964 -1.956 1.00 0.00 O ATOM 266 CB LYS A 265 -56.385 -2.559 -0.445 1.00 0.00 C ATOM 267 CG LYS A 265 -55.469 -3.663 0.062 1.00 0.00 C ATOM 268 CD LYS A 265 -56.266 -4.829 0.623 1.00 0.00 C ATOM 269 CE LYS A 265 -55.357 -5.944 1.113 1.00 0.00 C ATOM 270 NZ LYS A 265 -54.492 -6.475 0.024 1.00 0.00 N ATOM 0 H LYS A 265 -57.571 -0.629 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 265 -55.039 -0.893 -0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 265 -57.013 -2.216 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 265 -57.050 -2.972 -1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 265 -54.833 -4.013 -0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 265 -54.810 -3.266 0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 265 -56.891 -4.481 1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 265 -56.936 -5.216 -0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 265 -54.732 -5.572 1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 265 -55.963 -6.753 1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 -54.080 -7.383 0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 -55.062 -6.617 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 -53.729 -5.797 -0.175 1.00 0.00 H new ATOM 284 N ALA A 266 -55.286 -2.057 -3.331 1.00 0.00 N ATOM 285 CA ALA A 266 -54.515 -2.507 -4.484 1.00 0.00 C ATOM 286 C ALA A 266 -53.531 -1.436 -4.946 1.00 0.00 C ATOM 287 O ALA A 266 -52.369 -1.731 -5.229 1.00 0.00 O ATOM 288 CB ALA A 266 -55.446 -2.897 -5.622 1.00 0.00 C ATOM 0 H ALA A 266 -56.284 -1.943 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 266 -53.939 -3.382 -4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 266 -54.857 -3.231 -6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 266 -56.101 -3.704 -5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 266 -56.048 -2.036 -5.911 1.00 0.00 H new ATOM 294 N ILE A 267 -54.004 -0.195 -5.024 1.00 0.00 N ATOM 295 CA ILE A 267 -53.164 0.918 -5.456 1.00 0.00 C ATOM 296 C ILE A 267 -51.974 1.103 -4.520 1.00 0.00 C ATOM 297 O ILE A 267 -50.833 1.222 -4.965 1.00 0.00 O ATOM 298 CB ILE A 267 -53.966 2.235 -5.517 1.00 0.00 C ATOM 299 CG1 ILE A 267 -55.162 2.084 -6.463 1.00 0.00 C ATOM 300 CG2 ILE A 267 -53.069 3.382 -5.963 1.00 0.00 C ATOM 301 CD1 ILE A 267 -56.054 3.307 -6.520 1.00 0.00 C ATOM 0 H ILE A 267 -54.963 0.065 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 267 -52.802 0.674 -6.455 1.00 0.00 H new ATOM 0 HB ILE A 267 -54.342 2.463 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 267 -54.795 1.866 -7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 267 -55.757 1.226 -6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 267 -53.649 4.304 -6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 267 -52.248 3.499 -5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 267 -52.666 3.165 -6.953 1.00 0.00 H new ATOM 0 HD11 ILE A 267 -56.878 3.125 -7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 267 -56.452 3.514 -5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 267 -55.475 4.164 -6.865 1.00 0.00 H new ATOM 313 N GLU A 268 -52.250 1.124 -3.222 1.00 0.00 N ATOM 314 CA GLU A 268 -51.208 1.292 -2.217 1.00 0.00 C ATOM 315 C GLU A 268 -50.241 0.112 -2.243 1.00 0.00 C ATOM 316 O GLU A 268 -49.031 0.284 -2.101 1.00 0.00 O ATOM 317 CB GLU A 268 -51.840 1.444 -0.827 1.00 0.00 C ATOM 318 CG GLU A 268 -50.839 1.694 0.294 1.00 0.00 C ATOM 319 CD GLU A 268 -50.172 0.424 0.792 1.00 0.00 C ATOM 320 OE1 GLU A 268 -50.577 -0.674 0.356 1.00 0.00 O ATOM 321 OE2 GLU A 268 -49.254 0.529 1.632 1.00 0.00 O ATOM 0 H GLU A 268 -53.191 1.026 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 268 -50.643 2.196 -2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 268 -52.552 2.269 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 268 -52.406 0.541 -0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 268 -50.073 2.385 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 268 -51.348 2.180 1.126 1.00 0.00 H new ATOM 328 N LEU A 269 -50.787 -1.087 -2.422 1.00 0.00 N ATOM 329 CA LEU A 269 -49.980 -2.302 -2.464 1.00 0.00 C ATOM 330 C LEU A 269 -48.995 -2.271 -3.629 1.00 0.00 C ATOM 331 O LEU A 269 -47.845 -2.685 -3.490 1.00 0.00 O ATOM 332 CB LEU A 269 -50.880 -3.534 -2.578 1.00 0.00 C ATOM 333 CG LEU A 269 -50.146 -4.877 -2.621 1.00 0.00 C ATOM 334 CD1 LEU A 269 -49.382 -5.115 -1.326 1.00 0.00 C ATOM 335 CD2 LEU A 269 -51.128 -6.010 -2.879 1.00 0.00 C ATOM 0 H LEU A 269 -51.788 -1.243 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 269 -49.411 -2.357 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -51.568 -3.541 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -51.485 -3.440 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 269 -49.427 -4.849 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -48.868 -6.075 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -48.651 -4.319 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -50.079 -5.122 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -50.591 -6.958 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -51.870 -6.037 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -51.628 -5.848 -3.834 1.00 0.00 H new ATOM 347 N SER A 270 -49.455 -1.788 -4.779 1.00 0.00 N ATOM 348 CA SER A 270 -48.613 -1.715 -5.969 1.00 0.00 C ATOM 349 C SER A 270 -47.510 -0.671 -5.808 1.00 0.00 C ATOM 350 O SER A 270 -46.357 -0.918 -6.162 1.00 0.00 O ATOM 351 CB SER A 270 -49.460 -1.392 -7.203 1.00 0.00 C ATOM 352 OG SER A 270 -50.103 -0.137 -7.070 1.00 0.00 O ATOM 0 H SER A 270 -50.405 -1.442 -4.912 1.00 0.00 H new ATOM 0 HA SER A 270 -48.143 -2.689 -6.101 1.00 0.00 H new ATOM 0 HB2 SER A 270 -48.827 -1.387 -8.090 1.00 0.00 H new ATOM 0 HB3 SER A 270 -50.207 -2.172 -7.349 1.00 0.00 H new ATOM 0 HG SER A 270 -50.340 0.011 -6.131 1.00 0.00 H new ATOM 358 N LEU A 271 -47.870 0.497 -5.281 1.00 0.00 N ATOM 359 CA LEU A 271 -46.906 1.576 -5.086 1.00 0.00 C ATOM 360 C LEU A 271 -45.775 1.148 -4.156 1.00 0.00 C ATOM 361 O LEU A 271 -44.599 1.244 -4.510 1.00 0.00 O ATOM 362 CB LEU A 271 -47.603 2.815 -4.517 1.00 0.00 C ATOM 363 CG LEU A 271 -48.705 3.406 -5.398 1.00 0.00 C ATOM 364 CD1 LEU A 271 -49.356 4.595 -4.710 1.00 0.00 C ATOM 365 CD2 LEU A 271 -48.147 3.815 -6.754 1.00 0.00 C ATOM 0 H LEU A 271 -48.820 0.720 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 271 -46.477 1.817 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -48.033 2.558 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -46.852 3.584 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 271 -49.464 2.640 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -50.138 5.003 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -49.793 4.274 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -48.605 5.362 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -48.947 4.233 -7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -47.367 4.564 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -47.727 2.942 -7.253 1.00 0.00 H new ATOM 377 N LYS A 272 -46.135 0.677 -2.968 1.00 0.00 N ATOM 378 CA LYS A 272 -45.147 0.237 -1.990 1.00 0.00 C ATOM 379 C LYS A 272 -44.451 -1.034 -2.476 1.00 0.00 C ATOM 380 O LYS A 272 -43.222 -1.104 -2.514 1.00 0.00 O ATOM 381 CB LYS A 272 -45.825 0.012 -0.632 1.00 0.00 C ATOM 382 CG LYS A 272 -44.858 -0.179 0.529 1.00 0.00 C ATOM 383 CD LYS A 272 -44.325 -1.602 0.600 1.00 0.00 C ATOM 384 CE LYS A 272 -45.437 -2.602 0.880 1.00 0.00 C ATOM 385 NZ LYS A 272 -46.133 -2.318 2.165 1.00 0.00 N ATOM 0 H LYS A 272 -47.103 0.590 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 272 -44.388 1.010 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 272 -46.470 0.864 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 272 -46.468 -0.865 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 272 -44.024 0.515 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 272 -45.362 0.066 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 272 -43.835 -1.855 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 272 -43.569 -1.669 1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 272 -46.159 -2.579 0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 272 -45.020 -3.609 0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 -46.245 -3.202 2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 -45.571 -1.643 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 -47.070 -1.910 1.970 1.00 0.00 H new ATOM 892 N ASP A 305 41.622 -7.617 -2.960 1.00 0.00 N ATOM 893 CA ASP A 305 42.762 -7.531 -3.868 1.00 0.00 C ATOM 894 C ASP A 305 43.303 -6.106 -3.950 1.00 0.00 C ATOM 895 O ASP A 305 44.513 -5.890 -3.885 1.00 0.00 O ATOM 896 CB ASP A 305 42.365 -8.017 -5.264 1.00 0.00 C ATOM 897 CG ASP A 305 43.512 -7.940 -6.252 1.00 0.00 C ATOM 898 OD1 ASP A 305 44.554 -8.583 -6.003 1.00 0.00 O ATOM 899 OD2 ASP A 305 43.369 -7.237 -7.275 1.00 0.00 O ATOM 0 HA ASP A 305 43.550 -8.171 -3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 305 42.013 -9.047 -5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 305 41.532 -7.417 -5.631 1.00 0.00 H new ATOM 904 N LEU A 306 42.403 -5.140 -4.099 1.00 0.00 N ATOM 905 CA LEU A 306 42.794 -3.737 -4.197 1.00 0.00 C ATOM 906 C LEU A 306 43.509 -3.264 -2.934 1.00 0.00 C ATOM 907 O LEU A 306 44.549 -2.613 -3.013 1.00 0.00 O ATOM 908 CB LEU A 306 41.573 -2.854 -4.470 1.00 0.00 C ATOM 909 CG LEU A 306 41.052 -2.883 -5.911 1.00 0.00 C ATOM 910 CD1 LEU A 306 40.596 -4.281 -6.300 1.00 0.00 C ATOM 911 CD2 LEU A 306 39.917 -1.884 -6.084 1.00 0.00 C ATOM 0 H LEU A 306 41.398 -5.302 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 306 43.490 -3.650 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 306 40.767 -3.161 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 306 41.825 -1.825 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 306 41.870 -2.600 -6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 306 40.231 -4.272 -7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 306 41.434 -4.973 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 306 39.795 -4.601 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 306 39.558 -1.916 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 306 39.102 -2.138 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 306 40.278 -0.881 -5.857 1.00 0.00 H new ATOM 923 N LYS A 307 42.949 -3.591 -1.772 1.00 0.00 N ATOM 924 CA LYS A 307 43.544 -3.188 -0.500 1.00 0.00 C ATOM 925 C LYS A 307 45.012 -3.604 -0.442 1.00 0.00 C ATOM 926 O LYS A 307 45.885 -2.802 -0.103 1.00 0.00 O ATOM 927 CB LYS A 307 42.757 -3.808 0.665 1.00 0.00 C ATOM 928 CG LYS A 307 43.148 -3.281 2.043 1.00 0.00 C ATOM 929 CD LYS A 307 44.454 -3.884 2.538 1.00 0.00 C ATOM 930 CE LYS A 307 44.834 -3.347 3.909 1.00 0.00 C ATOM 931 NZ LYS A 307 43.806 -3.667 4.939 1.00 0.00 N ATOM 0 H LYS A 307 42.088 -4.131 -1.684 1.00 0.00 H new ATOM 0 HA LYS A 307 43.496 -2.102 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 307 41.694 -3.624 0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 307 42.900 -4.889 0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 307 43.243 -2.196 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 307 42.353 -3.505 2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 307 44.360 -4.969 2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 307 45.250 -3.663 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 307 45.793 -3.769 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 307 44.965 -2.266 3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 44.189 -3.468 5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 42.960 -3.084 4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 43.551 -4.673 4.874 1.00 0.00 H new ATOM 945 N ALA A 308 45.276 -4.860 -0.785 1.00 0.00 N ATOM 946 CA ALA A 308 46.634 -5.386 -0.779 1.00 0.00 C ATOM 947 C ALA A 308 47.494 -4.710 -1.843 1.00 0.00 C ATOM 948 O ALA A 308 48.668 -4.426 -1.612 1.00 0.00 O ATOM 949 CB ALA A 308 46.617 -6.892 -0.990 1.00 0.00 C ATOM 0 H ALA A 308 44.565 -5.533 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 308 47.074 -5.170 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 308 47.639 -7.272 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 308 46.049 -7.365 -0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 308 46.151 -7.120 -1.949 1.00 0.00 H new ATOM 955 N ALA A 309 46.906 -4.465 -3.010 1.00 0.00 N ATOM 956 CA ALA A 309 47.624 -3.832 -4.112 1.00 0.00 C ATOM 957 C ALA A 309 48.177 -2.466 -3.714 1.00 0.00 C ATOM 958 O ALA A 309 49.359 -2.187 -3.912 1.00 0.00 O ATOM 959 CB ALA A 309 46.714 -3.699 -5.324 1.00 0.00 C ATOM 0 H ALA A 309 45.934 -4.695 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 309 48.470 -4.470 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 309 47.261 -3.225 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 309 46.379 -4.688 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 309 45.849 -3.088 -5.064 1.00 0.00 H new ATOM 965 N ILE A 310 47.318 -1.618 -3.156 1.00 0.00 N ATOM 966 CA ILE A 310 47.729 -0.282 -2.736 1.00 0.00 C ATOM 967 C ILE A 310 48.753 -0.344 -1.604 1.00 0.00 C ATOM 968 O ILE A 310 49.756 0.367 -1.630 1.00 0.00 O ATOM 969 CB ILE A 310 46.519 0.576 -2.290 1.00 0.00 C ATOM 970 CG1 ILE A 310 45.719 1.064 -3.505 1.00 0.00 C ATOM 971 CG2 ILE A 310 46.977 1.762 -1.452 1.00 0.00 C ATOM 972 CD1 ILE A 310 45.094 -0.045 -4.322 1.00 0.00 C ATOM 0 H ILE A 310 46.335 -1.831 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 310 48.189 0.189 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 310 45.871 -0.052 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 310 44.932 1.735 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 310 46.377 1.648 -4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 310 46.111 2.350 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 310 47.498 1.401 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 310 47.651 2.385 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 310 44.547 0.385 -5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 310 45.876 -0.705 -4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 310 44.408 -0.616 -3.696 1.00 0.00 H new ATOM 984 N GLN A 311 48.493 -1.188 -0.609 1.00 0.00 N ATOM 985 CA GLN A 311 49.399 -1.322 0.530 1.00 0.00 C ATOM 986 C GLN A 311 50.795 -1.741 0.073 1.00 0.00 C ATOM 987 O GLN A 311 51.797 -1.170 0.506 1.00 0.00 O ATOM 988 CB GLN A 311 48.839 -2.339 1.532 1.00 0.00 C ATOM 989 CG GLN A 311 49.585 -2.384 2.861 1.00 0.00 C ATOM 990 CD GLN A 311 50.991 -2.940 2.738 1.00 0.00 C ATOM 991 OE1 GLN A 311 51.978 -2.147 3.141 1.00 0.00 O flip ATOM 992 NE2 GLN A 311 51.188 -4.070 2.291 1.00 0.00 N flip ATOM 0 H GLN A 311 47.668 -1.786 -0.567 1.00 0.00 H new ATOM 0 HA GLN A 311 49.481 -0.351 1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 311 47.792 -2.104 1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 311 48.866 -3.330 1.080 1.00 0.00 H new ATOM 0 HG2 GLN A 311 49.634 -1.378 3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 311 49.021 -2.993 3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 311 50.400 -4.645 1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 311 52.139 -4.431 2.219 1.00 0.00 H new ATOM 1001 N GLU A 312 50.855 -2.742 -0.801 1.00 0.00 N ATOM 1002 CA GLU A 312 52.128 -3.239 -1.313 1.00 0.00 C ATOM 1003 C GLU A 312 52.863 -2.169 -2.114 1.00 0.00 C ATOM 1004 O GLU A 312 54.069 -1.987 -1.960 1.00 0.00 O ATOM 1005 CB GLU A 312 51.904 -4.479 -2.184 1.00 0.00 C ATOM 1006 CG GLU A 312 51.381 -5.684 -1.417 1.00 0.00 C ATOM 1007 CD GLU A 312 52.373 -6.209 -0.396 1.00 0.00 C ATOM 1008 OE1 GLU A 312 52.747 -5.446 0.519 1.00 0.00 O ATOM 1009 OE2 GLU A 312 52.773 -7.387 -0.510 1.00 0.00 O ATOM 0 H GLU A 312 50.036 -3.225 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 312 52.747 -3.507 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 312 51.199 -4.231 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 312 52.844 -4.747 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 312 50.455 -5.412 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 312 51.137 -6.479 -2.122 1.00 0.00 H new ATOM 1016 N SER A 313 52.129 -1.471 -2.972 1.00 0.00 N ATOM 1017 CA SER A 313 52.713 -0.424 -3.805 1.00 0.00 C ATOM 1018 C SER A 313 53.332 0.681 -2.954 1.00 0.00 C ATOM 1019 O SER A 313 54.444 1.135 -3.225 1.00 0.00 O ATOM 1020 CB SER A 313 51.651 0.168 -4.735 1.00 0.00 C ATOM 1021 OG SER A 313 51.112 -0.826 -5.589 1.00 0.00 O ATOM 0 H SER A 313 51.128 -1.610 -3.110 1.00 0.00 H new ATOM 0 HA SER A 313 53.504 -0.876 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 313 50.853 0.615 -4.143 1.00 0.00 H new ATOM 0 HB3 SER A 313 52.090 0.967 -5.333 1.00 0.00 H new ATOM 0 HG SER A 313 50.471 -1.374 -5.090 1.00 0.00 H new ATOM 1027 N LEU A 314 52.604 1.113 -1.930 1.00 0.00 N ATOM 1028 CA LEU A 314 53.079 2.169 -1.042 1.00 0.00 C ATOM 1029 C LEU A 314 54.329 1.735 -0.280 1.00 0.00 C ATOM 1030 O LEU A 314 55.276 2.506 -0.135 1.00 0.00 O ATOM 1031 CB LEU A 314 51.979 2.567 -0.053 1.00 0.00 C ATOM 1032 CG LEU A 314 50.691 3.096 -0.689 1.00 0.00 C ATOM 1033 CD1 LEU A 314 49.657 3.407 0.383 1.00 0.00 C ATOM 1034 CD2 LEU A 314 50.974 4.332 -1.530 1.00 0.00 C ATOM 0 H LEU A 314 51.681 0.748 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 314 53.338 3.030 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 314 51.733 1.700 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 314 52.374 3.330 0.618 1.00 0.00 H new ATOM 0 HG LEU A 314 50.290 2.322 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 314 48.748 3.782 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 314 49.429 2.500 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 314 50.053 4.162 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 314 50.045 4.691 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 314 51.401 5.112 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 314 51.679 4.080 -2.322 1.00 0.00 H new ATOM 1046 N ARG A 315 54.320 0.499 0.211 1.00 0.00 N ATOM 1047 CA ARG A 315 55.450 -0.034 0.967 1.00 0.00 C ATOM 1048 C ARG A 315 56.712 -0.099 0.111 1.00 0.00 C ATOM 1049 O ARG A 315 57.775 0.365 0.523 1.00 0.00 O ATOM 1050 CB ARG A 315 55.114 -1.428 1.507 1.00 0.00 C ATOM 1051 CG ARG A 315 56.261 -2.090 2.258 1.00 0.00 C ATOM 1052 CD ARG A 315 56.686 -1.277 3.473 1.00 0.00 C ATOM 1053 NE ARG A 315 55.590 -1.078 4.421 1.00 0.00 N ATOM 1054 CZ ARG A 315 54.975 -2.068 5.066 1.00 0.00 C ATOM 1055 NH1 ARG A 315 55.344 -3.328 4.873 1.00 0.00 N ATOM 1056 NH2 ARG A 315 53.991 -1.794 5.912 1.00 0.00 N ATOM 0 H ARG A 315 53.543 -0.152 0.099 1.00 0.00 H new ATOM 0 HA ARG A 315 55.641 0.641 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 315 54.253 -1.352 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 315 54.819 -2.068 0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 315 55.959 -3.088 2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 315 57.111 -2.213 1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 315 57.510 -1.783 3.976 1.00 0.00 H new ATOM 0 HD3 ARG A 315 57.060 -0.307 3.145 1.00 0.00 H new ATOM 0 HE ARG A 315 55.278 -0.123 4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 315 56.103 -3.544 4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 315 54.868 -4.081 5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 315 53.707 -0.827 6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 315 53.519 -2.550 6.407 1.00 0.00 H new ATOM 1070 N GLU A 316 56.589 -0.682 -1.076 1.00 0.00 N ATOM 1071 CA GLU A 316 57.721 -0.815 -1.987 1.00 0.00 C ATOM 1072 C GLU A 316 58.280 0.550 -2.377 1.00 0.00 C ATOM 1073 O GLU A 316 59.495 0.745 -2.416 1.00 0.00 O ATOM 1074 CB GLU A 316 57.307 -1.586 -3.241 1.00 0.00 C ATOM 1075 CG GLU A 316 56.807 -2.993 -2.953 1.00 0.00 C ATOM 1076 CD GLU A 316 57.849 -3.855 -2.269 1.00 0.00 C ATOM 1077 OE1 GLU A 316 58.932 -4.057 -2.858 1.00 0.00 O ATOM 1078 OE2 GLU A 316 57.583 -4.328 -1.144 1.00 0.00 O ATOM 0 H GLU A 316 55.715 -1.071 -1.431 1.00 0.00 H new ATOM 0 HA GLU A 316 58.503 -1.369 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 316 56.525 -1.030 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 316 58.158 -1.644 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 316 55.918 -2.937 -2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 316 56.507 -3.466 -3.888 1.00 0.00 H new ATOM 1085 N ALA A 317 57.388 1.490 -2.671 1.00 0.00 N ATOM 1086 CA ALA A 317 57.793 2.835 -3.065 1.00 0.00 C ATOM 1087 C ALA A 317 58.545 3.544 -1.942 1.00 0.00 C ATOM 1088 O ALA A 317 59.569 4.185 -2.177 1.00 0.00 O ATOM 1089 CB ALA A 317 56.579 3.649 -3.483 1.00 0.00 C ATOM 0 H ALA A 317 56.379 1.345 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 317 58.471 2.744 -3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 317 56.895 4.651 -3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 317 56.088 3.163 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 317 55.882 3.717 -2.648 1.00 0.00 H new ATOM 1095 N GLU A 318 58.027 3.430 -0.723 1.00 0.00 N ATOM 1096 CA GLU A 318 58.645 4.064 0.437 1.00 0.00 C ATOM 1097 C GLU A 318 60.058 3.536 0.670 1.00 0.00 C ATOM 1098 O GLU A 318 60.988 4.308 0.904 1.00 0.00 O ATOM 1099 CB GLU A 318 57.788 3.828 1.684 1.00 0.00 C ATOM 1100 CG GLU A 318 58.373 4.435 2.949 1.00 0.00 C ATOM 1101 CD GLU A 318 57.527 4.156 4.177 1.00 0.00 C ATOM 1102 OE1 GLU A 318 56.348 4.569 4.192 1.00 0.00 O ATOM 1103 OE2 GLU A 318 58.044 3.526 5.123 1.00 0.00 O ATOM 0 H GLU A 318 57.179 2.903 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 318 58.711 5.134 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 318 56.795 4.245 1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 318 57.662 2.755 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 318 59.376 4.040 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 318 58.472 5.513 2.818 1.00 0.00 H new ATOM 1110 N GLU A 319 60.209 2.218 0.611 1.00 0.00 N ATOM 1111 CA GLU A 319 61.506 1.585 0.822 1.00 0.00 C ATOM 1112 C GLU A 319 62.506 1.985 -0.260 1.00 0.00 C ATOM 1113 O GLU A 319 63.653 2.315 0.036 1.00 0.00 O ATOM 1114 CB GLU A 319 61.355 0.063 0.850 1.00 0.00 C ATOM 1115 CG GLU A 319 60.450 -0.439 1.963 1.00 0.00 C ATOM 1116 CD GLU A 319 60.315 -1.949 1.965 1.00 0.00 C ATOM 1117 OE1 GLU A 319 59.843 -2.504 0.950 1.00 0.00 O ATOM 1118 OE2 GLU A 319 60.680 -2.577 2.981 1.00 0.00 O ATOM 0 H GLU A 319 59.449 1.566 0.419 1.00 0.00 H new ATOM 0 HA GLU A 319 61.889 1.929 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 319 60.958 -0.272 -0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 319 62.340 -0.389 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 319 60.846 -0.112 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 319 59.463 0.011 1.855 1.00 0.00 H new ATOM 1125 N ALA A 320 62.067 1.944 -1.514 1.00 0.00 N ATOM 1126 CA ALA A 320 62.929 2.290 -2.641 1.00 0.00 C ATOM 1127 C ALA A 320 63.458 3.718 -2.535 1.00 0.00 C ATOM 1128 O ALA A 320 64.652 3.959 -2.712 1.00 0.00 O ATOM 1129 CB ALA A 320 62.178 2.101 -3.951 1.00 0.00 C ATOM 0 H ALA A 320 61.119 1.675 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 320 63.789 1.620 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 320 62.830 2.362 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 320 61.867 1.061 -4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 320 61.299 2.745 -3.963 1.00 0.00 H new ATOM 1135 N LYS A 321 62.565 4.661 -2.254 1.00 0.00 N ATOM 1136 CA LYS A 321 62.947 6.066 -2.136 1.00 0.00 C ATOM 1137 C LYS A 321 63.877 6.299 -0.948 1.00 0.00 C ATOM 1138 O LYS A 321 64.871 7.017 -1.060 1.00 0.00 O ATOM 1139 CB LYS A 321 61.702 6.945 -1.999 1.00 0.00 C ATOM 1140 CG LYS A 321 60.789 6.904 -3.214 1.00 0.00 C ATOM 1141 CD LYS A 321 59.568 7.789 -3.023 1.00 0.00 C ATOM 1142 CE LYS A 321 58.654 7.747 -4.238 1.00 0.00 C ATOM 1143 NZ LYS A 321 59.341 8.233 -5.467 1.00 0.00 N ATOM 0 H LYS A 321 61.573 4.480 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 321 63.485 6.337 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 321 61.139 6.628 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 321 62.013 7.975 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 321 61.341 7.229 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 321 60.471 5.878 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 321 59.017 7.465 -2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 321 59.886 8.816 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 321 58.307 6.726 -4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 321 57.771 8.358 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 58.640 8.382 -6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 59.825 9.130 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 60.038 7.526 -5.777 1.00 0.00 H new ATOM 1157 N LEU A 322 63.541 5.701 0.192 1.00 0.00 N ATOM 1158 CA LEU A 322 64.341 5.858 1.404 1.00 0.00 C ATOM 1159 C LEU A 322 65.775 5.380 1.194 1.00 0.00 C ATOM 1160 O LEU A 322 66.727 6.062 1.573 1.00 0.00 O ATOM 1161 CB LEU A 322 63.703 5.092 2.566 1.00 0.00 C ATOM 1162 CG LEU A 322 64.445 5.200 3.901 1.00 0.00 C ATOM 1163 CD1 LEU A 322 64.516 6.648 4.362 1.00 0.00 C ATOM 1164 CD2 LEU A 322 63.767 4.337 4.956 1.00 0.00 C ATOM 0 H LEU A 322 62.721 5.104 0.302 1.00 0.00 H new ATOM 0 HA LEU A 322 64.370 6.921 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 322 62.684 5.455 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 322 63.632 4.039 2.292 1.00 0.00 H new ATOM 0 HG LEU A 322 65.463 4.838 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 322 65.047 6.702 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 322 65.045 7.242 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 322 63.507 7.040 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 322 64.306 4.425 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 322 62.739 4.671 5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 322 63.770 3.296 4.632 1.00 0.00 H new