USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=3 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+ 167:sc= -0.0278 (180deg=-0.286) USER MOD Single : A 270 SER OG : rot 180:sc= 0 USER MOD Single : A 272 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 307 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 311 GLN : amide:sc= -0.0444 K(o=-0.044,f=-2.8!) USER MOD Single : A 313 SER OG : rot -36:sc= 1.21 USER MOD Single : A 321 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 -30.789 -12.434 -2.006 1.00 0.00 N ATOM 156 CA GLU A 259 -30.853 -10.974 -2.010 1.00 0.00 C ATOM 157 C GLU A 259 -32.297 -10.486 -1.998 1.00 0.00 C ATOM 158 O GLU A 259 -32.610 -9.473 -1.376 1.00 0.00 O ATOM 159 CB GLU A 259 -30.124 -10.396 -3.228 1.00 0.00 C ATOM 160 CG GLU A 259 -28.609 -10.497 -3.149 1.00 0.00 C ATOM 161 CD GLU A 259 -28.110 -11.926 -3.208 1.00 0.00 C ATOM 162 OE1 GLU A 259 -28.354 -12.596 -4.233 1.00 0.00 O ATOM 163 OE2 GLU A 259 -27.474 -12.373 -2.231 1.00 0.00 O ATOM 0 HA GLU A 259 -30.358 -10.625 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -30.466 -10.915 -4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -30.402 -9.348 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -28.169 -9.930 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -28.267 -10.036 -2.222 1.00 0.00 H new ATOM 170 N GLU A 260 -33.168 -11.208 -2.700 1.00 0.00 N ATOM 171 CA GLU A 260 -34.582 -10.848 -2.786 1.00 0.00 C ATOM 172 C GLU A 260 -35.168 -10.532 -1.411 1.00 0.00 C ATOM 173 O GLU A 260 -35.974 -9.614 -1.269 1.00 0.00 O ATOM 174 CB GLU A 260 -35.376 -11.980 -3.442 1.00 0.00 C ATOM 175 CG GLU A 260 -36.860 -11.682 -3.587 1.00 0.00 C ATOM 176 CD GLU A 260 -37.127 -10.445 -4.423 1.00 0.00 C ATOM 177 OE1 GLU A 260 -36.723 -10.429 -5.604 1.00 0.00 O ATOM 178 OE2 GLU A 260 -37.741 -9.493 -3.896 1.00 0.00 O ATOM 0 H GLU A 260 -32.918 -12.049 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 260 -34.657 -9.949 -3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 260 -34.957 -12.182 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 260 -35.253 -12.888 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 260 -37.356 -12.539 -4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 260 -37.299 -11.549 -2.598 1.00 0.00 H new ATOM 185 N GLU A 261 -34.765 -11.300 -0.404 1.00 0.00 N ATOM 186 CA GLU A 261 -35.261 -11.100 0.954 1.00 0.00 C ATOM 187 C GLU A 261 -34.861 -9.726 1.495 1.00 0.00 C ATOM 188 O GLU A 261 -35.707 -8.958 1.959 1.00 0.00 O ATOM 189 CB GLU A 261 -34.729 -12.198 1.877 1.00 0.00 C ATOM 190 CG GLU A 261 -35.219 -12.080 3.310 1.00 0.00 C ATOM 191 CD GLU A 261 -34.694 -13.190 4.199 1.00 0.00 C ATOM 192 OE1 GLU A 261 -33.458 -13.308 4.335 1.00 0.00 O ATOM 193 OE2 GLU A 261 -35.519 -13.941 4.761 1.00 0.00 O ATOM 0 H GLU A 261 -34.098 -12.065 -0.502 1.00 0.00 H new ATOM 0 HA GLU A 261 -36.349 -11.150 0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 261 -35.024 -13.169 1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 261 -33.639 -12.169 1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 261 -34.911 -11.117 3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 261 -36.309 -12.096 3.320 1.00 0.00 H new ATOM 200 N LEU A 262 -33.567 -9.426 1.432 1.00 0.00 N ATOM 201 CA LEU A 262 -33.051 -8.150 1.918 1.00 0.00 C ATOM 202 C LEU A 262 -33.637 -6.983 1.130 1.00 0.00 C ATOM 203 O LEU A 262 -34.029 -5.968 1.706 1.00 0.00 O ATOM 204 CB LEU A 262 -31.523 -8.128 1.829 1.00 0.00 C ATOM 205 CG LEU A 262 -30.809 -9.203 2.652 1.00 0.00 C ATOM 206 CD1 LEU A 262 -29.305 -9.127 2.439 1.00 0.00 C ATOM 207 CD2 LEU A 262 -31.145 -9.058 4.130 1.00 0.00 C ATOM 0 H LEU A 262 -32.856 -10.049 1.049 1.00 0.00 H new ATOM 0 HA LEU A 262 -33.350 -8.041 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 262 -31.234 -8.241 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 262 -31.170 -7.149 2.154 1.00 0.00 H new ATOM 0 HG LEU A 262 -31.157 -10.179 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 262 -28.814 -9.899 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 262 -29.079 -9.281 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 262 -28.943 -8.147 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 262 -30.628 -9.831 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 262 -30.827 -8.076 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 262 -32.221 -9.163 4.271 1.00 0.00 H new ATOM 219 N ILE A 263 -33.692 -7.135 -0.190 1.00 0.00 N ATOM 220 CA ILE A 263 -34.229 -6.097 -1.060 1.00 0.00 C ATOM 221 C ILE A 263 -35.674 -5.777 -0.696 1.00 0.00 C ATOM 222 O ILE A 263 -36.061 -4.610 -0.620 1.00 0.00 O ATOM 223 CB ILE A 263 -34.160 -6.516 -2.543 1.00 0.00 C ATOM 224 CG1 ILE A 263 -32.715 -6.830 -2.938 1.00 0.00 C ATOM 225 CG2 ILE A 263 -34.732 -5.419 -3.430 1.00 0.00 C ATOM 226 CD1 ILE A 263 -32.569 -7.331 -4.360 1.00 0.00 C ATOM 0 H ILE A 263 -33.370 -7.970 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 263 -33.615 -5.208 -0.916 1.00 0.00 H new ATOM 0 HB ILE A 263 -34.759 -7.416 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 263 -32.110 -5.932 -2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 263 -32.315 -7.580 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 263 -34.677 -5.729 -4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 263 -35.772 -5.238 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 263 -34.157 -4.503 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 263 -31.518 -7.533 -4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 263 -33.146 -8.247 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 263 -32.938 -6.574 -5.052 1.00 0.00 H new ATOM 238 N ARG A 264 -36.467 -6.820 -0.467 1.00 0.00 N ATOM 239 CA ARG A 264 -37.868 -6.649 -0.103 1.00 0.00 C ATOM 240 C ARG A 264 -37.987 -5.858 1.193 1.00 0.00 C ATOM 241 O ARG A 264 -38.775 -4.917 1.288 1.00 0.00 O ATOM 242 CB ARG A 264 -38.553 -8.010 0.044 1.00 0.00 C ATOM 243 CG ARG A 264 -40.024 -7.918 0.423 1.00 0.00 C ATOM 244 CD ARG A 264 -40.830 -7.178 -0.635 1.00 0.00 C ATOM 245 NE ARG A 264 -42.240 -7.058 -0.270 1.00 0.00 N ATOM 246 CZ ARG A 264 -43.060 -8.096 -0.124 1.00 0.00 C ATOM 247 NH1 ARG A 264 -42.621 -9.331 -0.323 1.00 0.00 N ATOM 248 NH2 ARG A 264 -44.325 -7.897 0.222 1.00 0.00 N ATOM 0 H ARG A 264 -36.162 -7.792 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 264 -38.365 -6.093 -0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 264 -38.463 -8.555 -0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 264 -38.028 -8.591 0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 264 -40.430 -8.921 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 264 -40.122 -7.406 1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 264 -40.408 -6.184 -0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 264 -40.746 -7.703 -1.587 1.00 0.00 H new ATOM 0 HE ARG A 264 -42.618 -6.123 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 264 -41.649 -9.490 -0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 264 -43.255 -10.122 -0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 264 -44.669 -6.949 0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 264 -44.954 -8.692 0.334 1.00 0.00 H new ATOM 262 N LYS A 265 -37.188 -6.239 2.187 1.00 0.00 N ATOM 263 CA LYS A 265 -37.194 -5.556 3.475 1.00 0.00 C ATOM 264 C LYS A 265 -36.870 -4.077 3.295 1.00 0.00 C ATOM 265 O LYS A 265 -37.476 -3.215 3.932 1.00 0.00 O ATOM 266 CB LYS A 265 -36.183 -6.201 4.426 1.00 0.00 C ATOM 267 CG LYS A 265 -36.531 -7.631 4.812 1.00 0.00 C ATOM 268 CD LYS A 265 -37.808 -7.692 5.635 1.00 0.00 C ATOM 269 CE LYS A 265 -38.160 -9.122 6.013 1.00 0.00 C ATOM 270 NZ LYS A 265 -37.073 -9.774 6.795 1.00 0.00 N ATOM 0 H LYS A 265 -36.530 -7.016 2.124 1.00 0.00 H new ATOM 0 HA LYS A 265 -38.191 -5.647 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 265 -35.199 -6.190 3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 265 -36.112 -5.597 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 265 -36.648 -8.234 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 265 -35.709 -8.065 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 265 -37.688 -7.095 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 265 -38.629 -7.252 5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 265 -39.080 -9.127 6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 265 -38.353 -9.699 5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 -37.430 -10.654 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 -36.275 -9.992 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 -36.754 -9.132 7.548 1.00 0.00 H new ATOM 284 N ALA A 266 -35.913 -3.793 2.416 1.00 0.00 N ATOM 285 CA ALA A 266 -35.506 -2.421 2.141 1.00 0.00 C ATOM 286 C ALA A 266 -36.661 -1.614 1.557 1.00 0.00 C ATOM 287 O ALA A 266 -36.866 -0.457 1.919 1.00 0.00 O ATOM 288 CB ALA A 266 -34.316 -2.404 1.193 1.00 0.00 C ATOM 0 H ALA A 266 -35.405 -4.498 1.882 1.00 0.00 H new ATOM 0 HA ALA A 266 -35.213 -1.958 3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 266 -34.022 -1.373 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 266 -33.482 -2.939 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 266 -34.590 -2.888 0.256 1.00 0.00 H new ATOM 294 N ILE A 267 -37.410 -2.234 0.650 1.00 0.00 N ATOM 295 CA ILE A 267 -38.545 -1.575 0.015 1.00 0.00 C ATOM 296 C ILE A 267 -39.615 -1.210 1.040 1.00 0.00 C ATOM 297 O ILE A 267 -40.153 -0.104 1.021 1.00 0.00 O ATOM 298 CB ILE A 267 -39.175 -2.466 -1.076 1.00 0.00 C ATOM 299 CG1 ILE A 267 -38.138 -2.805 -2.152 1.00 0.00 C ATOM 300 CG2 ILE A 267 -40.383 -1.774 -1.694 1.00 0.00 C ATOM 301 CD1 ILE A 267 -38.657 -3.739 -3.226 1.00 0.00 C ATOM 0 H ILE A 267 -37.251 -3.192 0.339 1.00 0.00 H new ATOM 0 HA ILE A 267 -38.163 -0.664 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 267 -39.510 -3.396 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 267 -37.798 -1.881 -2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 267 -37.269 -3.260 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 267 -40.816 -2.415 -2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 267 -41.127 -1.581 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 267 -40.072 -0.830 -2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 267 -37.867 -3.933 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 267 -38.970 -4.678 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 267 -39.507 -3.278 -3.729 1.00 0.00 H new ATOM 313 N GLU A 268 -39.924 -2.150 1.929 1.00 0.00 N ATOM 314 CA GLU A 268 -40.936 -1.930 2.958 1.00 0.00 C ATOM 315 C GLU A 268 -40.549 -0.778 3.881 1.00 0.00 C ATOM 316 O GLU A 268 -41.366 0.093 4.178 1.00 0.00 O ATOM 317 CB GLU A 268 -41.142 -3.204 3.779 1.00 0.00 C ATOM 318 CG GLU A 268 -41.595 -4.396 2.953 1.00 0.00 C ATOM 319 CD GLU A 268 -42.918 -4.153 2.252 1.00 0.00 C ATOM 320 OE1 GLU A 268 -43.921 -3.896 2.951 1.00 0.00 O ATOM 321 OE2 GLU A 268 -42.951 -4.218 1.006 1.00 0.00 O ATOM 0 H GLU A 268 -39.488 -3.072 1.958 1.00 0.00 H new ATOM 0 HA GLU A 268 -41.868 -1.668 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 268 -40.209 -3.456 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 268 -41.881 -3.009 4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 268 -40.832 -4.629 2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 268 -41.686 -5.268 3.601 1.00 0.00 H new ATOM 328 N LEU A 269 -39.301 -0.784 4.337 1.00 0.00 N ATOM 329 CA LEU A 269 -38.808 0.256 5.234 1.00 0.00 C ATOM 330 C LEU A 269 -38.761 1.614 4.541 1.00 0.00 C ATOM 331 O LEU A 269 -39.129 2.631 5.128 1.00 0.00 O ATOM 332 CB LEU A 269 -37.418 -0.111 5.760 1.00 0.00 C ATOM 333 CG LEU A 269 -37.355 -1.404 6.579 1.00 0.00 C ATOM 334 CD1 LEU A 269 -35.929 -1.685 7.024 1.00 0.00 C ATOM 335 CD2 LEU A 269 -38.282 -1.320 7.784 1.00 0.00 C ATOM 0 H LEU A 269 -38.612 -1.498 4.100 1.00 0.00 H new ATOM 0 HA LEU A 269 -39.502 0.328 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 269 -36.738 -0.202 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 269 -37.051 0.710 6.376 1.00 0.00 H new ATOM 0 HG LEU A 269 -37.687 -2.227 5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 269 -35.904 -2.607 7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 269 -35.289 -1.790 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 269 -35.570 -0.860 7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 269 -38.224 -2.248 8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 269 -37.981 -0.486 8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 269 -39.306 -1.166 7.445 1.00 0.00 H new ATOM 347 N SER A 270 -38.299 1.627 3.296 1.00 0.00 N ATOM 348 CA SER A 270 -38.197 2.865 2.532 1.00 0.00 C ATOM 349 C SER A 270 -39.565 3.512 2.337 1.00 0.00 C ATOM 350 O SER A 270 -39.742 4.701 2.604 1.00 0.00 O ATOM 351 CB SER A 270 -37.549 2.595 1.173 1.00 0.00 C ATOM 352 OG SER A 270 -37.415 3.791 0.424 1.00 0.00 O ATOM 0 H SER A 270 -37.989 0.795 2.794 1.00 0.00 H new ATOM 0 HA SER A 270 -37.573 3.556 3.098 1.00 0.00 H new ATOM 0 HB2 SER A 270 -36.568 2.142 1.318 1.00 0.00 H new ATOM 0 HB3 SER A 270 -38.152 1.879 0.615 1.00 0.00 H new ATOM 0 HG SER A 270 -36.997 3.591 -0.439 1.00 0.00 H new ATOM 358 N LEU A 271 -40.530 2.725 1.871 1.00 0.00 N ATOM 359 CA LEU A 271 -41.881 3.227 1.643 1.00 0.00 C ATOM 360 C LEU A 271 -42.511 3.699 2.949 1.00 0.00 C ATOM 361 O LEU A 271 -43.184 4.729 2.990 1.00 0.00 O ATOM 362 CB LEU A 271 -42.754 2.146 1.000 1.00 0.00 C ATOM 363 CG LEU A 271 -42.294 1.671 -0.381 1.00 0.00 C ATOM 364 CD1 LEU A 271 -43.204 0.566 -0.895 1.00 0.00 C ATOM 365 CD2 LEU A 271 -42.261 2.833 -1.364 1.00 0.00 C ATOM 0 H LEU A 271 -40.402 1.739 1.644 1.00 0.00 H new ATOM 0 HA LEU A 271 -41.815 4.076 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -42.790 1.286 1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -43.772 2.527 0.915 1.00 0.00 H new ATOM 0 HG LEU A 271 -41.284 1.271 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -42.862 0.241 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -43.179 -0.277 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -44.224 0.941 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -41.932 2.475 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -43.259 3.263 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -41.569 3.594 -1.004 1.00 0.00 H new ATOM 377 N LYS A 272 -42.286 2.937 4.015 1.00 0.00 N ATOM 378 CA LYS A 272 -42.830 3.271 5.326 1.00 0.00 C ATOM 379 C LYS A 272 -42.331 4.633 5.799 1.00 0.00 C ATOM 380 O LYS A 272 -43.119 5.477 6.229 1.00 0.00 O ATOM 381 CB LYS A 272 -42.445 2.195 6.344 1.00 0.00 C ATOM 382 CG LYS A 272 -42.917 2.494 7.758 1.00 0.00 C ATOM 383 CD LYS A 272 -42.481 1.410 8.730 1.00 0.00 C ATOM 384 CE LYS A 272 -42.929 1.722 10.149 1.00 0.00 C ATOM 385 NZ LYS A 272 -42.501 0.668 11.110 1.00 0.00 N ATOM 0 H LYS A 272 -41.729 2.082 3.996 1.00 0.00 H new ATOM 0 HA LYS A 272 -43.916 3.316 5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 272 -42.863 1.240 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 272 -41.361 2.083 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 272 -42.518 3.456 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 272 -44.004 2.580 7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 272 -42.897 0.452 8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 272 -41.396 1.311 8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 272 -42.517 2.683 10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 272 -44.015 1.818 10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 -42.826 0.917 12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 -42.914 -0.245 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 -41.464 0.594 11.105 1.00 0.00 H new ATOM 892 N ASP A 305 26.750 4.290 6.703 1.00 0.00 N ATOM 893 CA ASP A 305 26.805 2.833 6.756 1.00 0.00 C ATOM 894 C ASP A 305 27.358 2.259 5.455 1.00 0.00 C ATOM 895 O ASP A 305 28.125 1.296 5.469 1.00 0.00 O ATOM 896 CB ASP A 305 25.412 2.261 7.033 1.00 0.00 C ATOM 897 CG ASP A 305 25.417 0.750 7.176 1.00 0.00 C ATOM 898 OD1 ASP A 305 25.774 0.059 6.198 1.00 0.00 O ATOM 899 OD2 ASP A 305 25.063 0.257 8.267 1.00 0.00 O ATOM 0 HA ASP A 305 27.475 2.548 7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 305 25.015 2.707 7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 305 24.740 2.543 6.222 1.00 0.00 H new ATOM 904 N LEU A 306 26.960 2.852 4.331 1.00 0.00 N ATOM 905 CA LEU A 306 27.413 2.392 3.022 1.00 0.00 C ATOM 906 C LEU A 306 28.936 2.393 2.934 1.00 0.00 C ATOM 907 O LEU A 306 29.538 1.417 2.486 1.00 0.00 O ATOM 908 CB LEU A 306 26.829 3.271 1.913 1.00 0.00 C ATOM 909 CG LEU A 306 25.302 3.262 1.810 1.00 0.00 C ATOM 910 CD1 LEU A 306 24.842 4.177 0.686 1.00 0.00 C ATOM 911 CD2 LEU A 306 24.787 1.847 1.591 1.00 0.00 C ATOM 0 H LEU A 306 26.326 3.650 4.301 1.00 0.00 H new ATOM 0 HA LEU A 306 27.061 1.369 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 306 27.160 4.297 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 306 27.243 2.947 0.958 1.00 0.00 H new ATOM 0 HG LEU A 306 24.891 3.633 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 306 23.754 4.160 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 306 25.178 5.195 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 306 25.264 3.833 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 306 23.699 1.862 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 306 25.205 1.447 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 306 25.087 1.217 2.428 1.00 0.00 H new ATOM 923 N LYS A 307 29.555 3.488 3.367 1.00 0.00 N ATOM 924 CA LYS A 307 31.008 3.601 3.337 1.00 0.00 C ATOM 925 C LYS A 307 31.649 2.484 4.152 1.00 0.00 C ATOM 926 O LYS A 307 32.640 1.886 3.733 1.00 0.00 O ATOM 927 CB LYS A 307 31.455 4.964 3.868 1.00 0.00 C ATOM 928 CG LYS A 307 30.934 6.135 3.051 1.00 0.00 C ATOM 929 CD LYS A 307 31.497 7.460 3.544 1.00 0.00 C ATOM 930 CE LYS A 307 33.009 7.521 3.384 1.00 0.00 C ATOM 931 NZ LYS A 307 33.564 8.824 3.843 1.00 0.00 N ATOM 0 H LYS A 307 29.074 4.306 3.741 1.00 0.00 H new ATOM 0 HA LYS A 307 31.334 3.508 2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 307 31.117 5.072 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 307 32.544 4.999 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 307 31.199 5.994 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 307 29.846 6.160 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 307 31.039 8.279 2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 307 31.236 7.599 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 307 33.467 6.711 3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 307 33.270 7.364 2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 34.596 8.825 3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 33.146 9.595 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 33.337 8.963 4.848 1.00 0.00 H new ATOM 945 N ALA A 308 31.069 2.202 5.316 1.00 0.00 N ATOM 946 CA ALA A 308 31.576 1.148 6.186 1.00 0.00 C ATOM 947 C ALA A 308 31.552 -0.196 5.469 1.00 0.00 C ATOM 948 O ALA A 308 32.497 -0.979 5.561 1.00 0.00 O ATOM 949 CB ALA A 308 30.761 1.082 7.469 1.00 0.00 C ATOM 0 H ALA A 308 30.249 2.689 5.677 1.00 0.00 H new ATOM 0 HA ALA A 308 32.609 1.381 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 308 31.152 0.290 8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 308 30.827 2.036 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 308 29.719 0.872 7.228 1.00 0.00 H new ATOM 955 N ALA A 309 30.464 -0.452 4.746 1.00 0.00 N ATOM 956 CA ALA A 309 30.314 -1.695 4.002 1.00 0.00 C ATOM 957 C ALA A 309 31.400 -1.824 2.942 1.00 0.00 C ATOM 958 O ALA A 309 31.992 -2.890 2.771 1.00 0.00 O ATOM 959 CB ALA A 309 28.936 -1.764 3.361 1.00 0.00 C ATOM 0 H ALA A 309 29.674 0.187 4.661 1.00 0.00 H new ATOM 0 HA ALA A 309 30.417 -2.527 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 309 28.838 -2.698 2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 309 28.171 -1.719 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 309 28.810 -0.924 2.678 1.00 0.00 H new ATOM 965 N ILE A 310 31.663 -0.726 2.238 1.00 0.00 N ATOM 966 CA ILE A 310 32.684 -0.708 1.199 1.00 0.00 C ATOM 967 C ILE A 310 34.051 -1.040 1.788 1.00 0.00 C ATOM 968 O ILE A 310 34.820 -1.804 1.207 1.00 0.00 O ATOM 969 CB ILE A 310 32.754 0.664 0.499 1.00 0.00 C ATOM 970 CG1 ILE A 310 31.386 1.035 -0.079 1.00 0.00 C ATOM 971 CG2 ILE A 310 33.812 0.646 -0.597 1.00 0.00 C ATOM 972 CD1 ILE A 310 31.346 2.406 -0.720 1.00 0.00 C ATOM 0 H ILE A 310 31.181 0.163 2.370 1.00 0.00 H new ATOM 0 HA ILE A 310 32.409 -1.462 0.461 1.00 0.00 H new ATOM 0 HB ILE A 310 33.034 1.418 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 310 31.101 0.289 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 310 30.642 0.994 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 310 33.850 1.621 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 310 34.785 0.420 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 310 33.559 -0.116 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 310 30.345 2.598 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 310 31.599 3.162 0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 310 32.065 2.446 -1.538 1.00 0.00 H new ATOM 984 N GLN A 311 34.340 -0.464 2.951 1.00 0.00 N ATOM 985 CA GLN A 311 35.609 -0.702 3.628 1.00 0.00 C ATOM 986 C GLN A 311 35.744 -2.174 4.004 1.00 0.00 C ATOM 987 O GLN A 311 36.822 -2.757 3.890 1.00 0.00 O ATOM 988 CB GLN A 311 35.715 0.169 4.882 1.00 0.00 C ATOM 989 CG GLN A 311 35.645 1.660 4.594 1.00 0.00 C ATOM 990 CD GLN A 311 35.722 2.500 5.854 1.00 0.00 C ATOM 991 OE1 GLN A 311 34.876 2.387 6.741 1.00 0.00 O ATOM 992 NE2 GLN A 311 36.739 3.349 5.939 1.00 0.00 N ATOM 0 H GLN A 311 33.712 0.171 3.444 1.00 0.00 H new ATOM 0 HA GLN A 311 36.417 -0.438 2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 311 34.912 -0.098 5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 311 36.654 -0.051 5.389 1.00 0.00 H new ATOM 0 HG2 GLN A 311 36.461 1.936 3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 311 34.716 1.882 4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 311 37.417 3.410 5.180 1.00 0.00 H new ATOM 0 HE22 GLN A 311 36.842 3.940 6.764 1.00 0.00 H new ATOM 1001 N GLU A 312 34.640 -2.766 4.452 1.00 0.00 N ATOM 1002 CA GLU A 312 34.627 -4.170 4.845 1.00 0.00 C ATOM 1003 C GLU A 312 34.921 -5.073 3.652 1.00 0.00 C ATOM 1004 O GLU A 312 35.717 -6.008 3.751 1.00 0.00 O ATOM 1005 CB GLU A 312 33.275 -4.536 5.462 1.00 0.00 C ATOM 1006 CG GLU A 312 33.197 -5.972 5.955 1.00 0.00 C ATOM 1007 CD GLU A 312 31.851 -6.307 6.568 1.00 0.00 C ATOM 1008 OE1 GLU A 312 31.470 -5.648 7.559 1.00 0.00 O ATOM 1009 OE2 GLU A 312 31.179 -7.227 6.058 1.00 0.00 O ATOM 0 H GLU A 312 33.742 -2.293 4.552 1.00 0.00 H new ATOM 0 HA GLU A 312 35.409 -4.321 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 312 33.072 -3.864 6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 312 32.492 -4.372 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 312 33.391 -6.649 5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 312 33.981 -6.142 6.694 1.00 0.00 H new ATOM 1016 N SER A 313 34.278 -4.785 2.525 1.00 0.00 N ATOM 1017 CA SER A 313 34.477 -5.572 1.313 1.00 0.00 C ATOM 1018 C SER A 313 35.922 -5.472 0.841 1.00 0.00 C ATOM 1019 O SER A 313 36.542 -6.477 0.492 1.00 0.00 O ATOM 1020 CB SER A 313 33.527 -5.107 0.206 1.00 0.00 C ATOM 1021 OG SER A 313 33.772 -3.757 -0.145 1.00 0.00 O ATOM 0 H SER A 313 33.617 -4.015 2.426 1.00 0.00 H new ATOM 0 HA SER A 313 34.257 -6.614 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 313 33.649 -5.742 -0.672 1.00 0.00 H new ATOM 0 HB3 SER A 313 32.495 -5.218 0.539 1.00 0.00 H new ATOM 0 HG SER A 313 34.017 -3.250 0.657 1.00 0.00 H new ATOM 1027 N LEU A 314 36.456 -4.256 0.845 1.00 0.00 N ATOM 1028 CA LEU A 314 37.834 -4.027 0.430 1.00 0.00 C ATOM 1029 C LEU A 314 38.794 -4.760 1.359 1.00 0.00 C ATOM 1030 O LEU A 314 39.807 -5.305 0.921 1.00 0.00 O ATOM 1031 CB LEU A 314 38.150 -2.529 0.424 1.00 0.00 C ATOM 1032 CG LEU A 314 37.332 -1.695 -0.565 1.00 0.00 C ATOM 1033 CD1 LEU A 314 37.664 -0.218 -0.419 1.00 0.00 C ATOM 1034 CD2 LEU A 314 37.584 -2.160 -1.991 1.00 0.00 C ATOM 0 H LEU A 314 35.956 -3.414 1.131 1.00 0.00 H new ATOM 0 HA LEU A 314 37.958 -4.414 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 314 37.988 -2.136 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 314 39.208 -2.398 0.197 1.00 0.00 H new ATOM 0 HG LEU A 314 36.275 -1.834 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 314 37.073 0.360 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 314 37.433 0.108 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 314 38.724 -0.062 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 314 36.994 -1.556 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 314 38.642 -2.051 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 314 37.296 -3.207 -2.089 1.00 0.00 H new ATOM 1046 N ARG A 315 38.460 -4.769 2.646 1.00 0.00 N ATOM 1047 CA ARG A 315 39.279 -5.436 3.651 1.00 0.00 C ATOM 1048 C ARG A 315 39.393 -6.927 3.352 1.00 0.00 C ATOM 1049 O ARG A 315 40.487 -7.490 3.363 1.00 0.00 O ATOM 1050 CB ARG A 315 38.676 -5.228 5.042 1.00 0.00 C ATOM 1051 CG ARG A 315 39.454 -5.904 6.161 1.00 0.00 C ATOM 1052 CD ARG A 315 40.858 -5.336 6.293 1.00 0.00 C ATOM 1053 NE ARG A 315 41.593 -5.939 7.404 1.00 0.00 N ATOM 1054 CZ ARG A 315 41.232 -5.825 8.680 1.00 0.00 C ATOM 1055 NH1 ARG A 315 40.160 -5.117 9.012 1.00 0.00 N ATOM 1056 NH2 ARG A 315 41.949 -6.416 9.627 1.00 0.00 N ATOM 0 H ARG A 315 37.623 -4.319 3.018 1.00 0.00 H new ATOM 0 HA ARG A 315 40.278 -5.000 3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 315 38.620 -4.159 5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 315 37.654 -5.606 5.044 1.00 0.00 H new ATOM 0 HG2 ARG A 315 38.920 -5.778 7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 315 39.512 -6.975 5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 315 41.405 -5.502 5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 315 40.800 -4.258 6.440 1.00 0.00 H new ATOM 0 HE ARG A 315 42.431 -6.479 7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 315 39.608 -4.657 8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 315 39.888 -5.033 9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 315 42.777 -6.957 9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 315 41.673 -6.329 10.605 1.00 0.00 H new ATOM 1070 N GLU A 316 38.255 -7.558 3.080 1.00 0.00 N ATOM 1071 CA GLU A 316 38.226 -8.983 2.773 1.00 0.00 C ATOM 1072 C GLU A 316 39.022 -9.278 1.506 1.00 0.00 C ATOM 1073 O GLU A 316 39.764 -10.258 1.442 1.00 0.00 O ATOM 1074 CB GLU A 316 36.783 -9.467 2.613 1.00 0.00 C ATOM 1075 CG GLU A 316 35.942 -9.295 3.867 1.00 0.00 C ATOM 1076 CD GLU A 316 34.517 -9.781 3.686 1.00 0.00 C ATOM 1077 OE1 GLU A 316 33.815 -9.247 2.801 1.00 0.00 O ATOM 1078 OE2 GLU A 316 34.102 -10.695 4.430 1.00 0.00 O ATOM 0 H GLU A 316 37.341 -7.105 3.066 1.00 0.00 H new ATOM 0 HA GLU A 316 38.686 -9.519 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 316 36.314 -8.922 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 316 36.791 -10.520 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 316 36.406 -9.840 4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 316 35.930 -8.242 4.150 1.00 0.00 H new ATOM 1085 N ALA A 317 38.863 -8.420 0.501 1.00 0.00 N ATOM 1086 CA ALA A 317 39.569 -8.585 -0.764 1.00 0.00 C ATOM 1087 C ALA A 317 41.080 -8.532 -0.558 1.00 0.00 C ATOM 1088 O ALA A 317 41.820 -9.346 -1.110 1.00 0.00 O ATOM 1089 CB ALA A 317 39.132 -7.516 -1.756 1.00 0.00 C ATOM 0 H ALA A 317 38.252 -7.604 0.539 1.00 0.00 H new ATOM 0 HA ALA A 317 39.317 -9.565 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 317 39.667 -7.651 -2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 317 38.060 -7.601 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 317 39.356 -6.530 -1.350 1.00 0.00 H new ATOM 1095 N GLU A 318 41.530 -7.568 0.242 1.00 0.00 N ATOM 1096 CA GLU A 318 42.953 -7.409 0.524 1.00 0.00 C ATOM 1097 C GLU A 318 43.502 -8.632 1.251 1.00 0.00 C ATOM 1098 O GLU A 318 44.576 -9.133 0.917 1.00 0.00 O ATOM 1099 CB GLU A 318 43.194 -6.150 1.362 1.00 0.00 C ATOM 1100 CG GLU A 318 44.659 -5.906 1.685 1.00 0.00 C ATOM 1101 CD GLU A 318 44.876 -4.642 2.494 1.00 0.00 C ATOM 1102 OE1 GLU A 318 44.317 -4.546 3.607 1.00 0.00 O ATOM 1103 OE2 GLU A 318 45.607 -3.750 2.016 1.00 0.00 O ATOM 0 H GLU A 318 40.930 -6.886 0.706 1.00 0.00 H new ATOM 0 HA GLU A 318 43.477 -7.307 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 318 42.800 -5.286 0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 318 42.634 -6.231 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 318 45.052 -6.759 2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 318 45.226 -5.840 0.756 1.00 0.00 H new ATOM 1110 N GLU A 319 42.755 -9.110 2.243 1.00 0.00 N ATOM 1111 CA GLU A 319 43.165 -10.278 3.014 1.00 0.00 C ATOM 1112 C GLU A 319 43.298 -11.498 2.110 1.00 0.00 C ATOM 1113 O GLU A 319 44.259 -12.260 2.217 1.00 0.00 O ATOM 1114 CB GLU A 319 42.157 -10.562 4.130 1.00 0.00 C ATOM 1115 CG GLU A 319 42.041 -9.439 5.147 1.00 0.00 C ATOM 1116 CD GLU A 319 41.029 -9.742 6.235 1.00 0.00 C ATOM 1117 OE1 GLU A 319 39.841 -9.936 5.903 1.00 0.00 O ATOM 1118 OE2 GLU A 319 41.425 -9.785 7.419 1.00 0.00 O ATOM 0 H GLU A 319 41.864 -8.706 2.531 1.00 0.00 H new ATOM 0 HA GLU A 319 44.136 -10.067 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 319 41.178 -10.741 3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 319 42.446 -11.478 4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 319 43.016 -9.263 5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 319 41.756 -8.519 4.636 1.00 0.00 H new ATOM 1125 N ALA A 320 42.329 -11.673 1.217 1.00 0.00 N ATOM 1126 CA ALA A 320 42.337 -12.796 0.289 1.00 0.00 C ATOM 1127 C ALA A 320 43.571 -12.748 -0.605 1.00 0.00 C ATOM 1128 O ALA A 320 44.233 -13.763 -0.821 1.00 0.00 O ATOM 1129 CB ALA A 320 41.070 -12.793 -0.554 1.00 0.00 C ATOM 0 H ALA A 320 41.528 -11.050 1.117 1.00 0.00 H new ATOM 0 HA ALA A 320 42.370 -13.720 0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 320 41.089 -13.637 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 320 40.200 -12.876 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 320 41.012 -11.864 -1.121 1.00 0.00 H new ATOM 1135 N LYS A 321 43.875 -11.559 -1.116 1.00 0.00 N ATOM 1136 CA LYS A 321 45.033 -11.370 -1.982 1.00 0.00 C ATOM 1137 C LYS A 321 46.319 -11.721 -1.243 1.00 0.00 C ATOM 1138 O LYS A 321 47.213 -12.360 -1.799 1.00 0.00 O ATOM 1139 CB LYS A 321 45.093 -9.922 -2.477 1.00 0.00 C ATOM 1140 CG LYS A 321 46.280 -9.631 -3.384 1.00 0.00 C ATOM 1141 CD LYS A 321 46.242 -10.477 -4.647 1.00 0.00 C ATOM 1142 CE LYS A 321 47.423 -10.172 -5.555 1.00 0.00 C ATOM 1143 NZ LYS A 321 47.395 -10.991 -6.797 1.00 0.00 N ATOM 0 H LYS A 321 43.335 -10.711 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 321 44.932 -12.035 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 321 44.173 -9.693 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 321 45.134 -9.255 -1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 321 46.282 -8.575 -3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 321 47.207 -9.824 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 321 46.250 -11.534 -4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 321 45.311 -10.291 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 321 47.415 -9.114 -5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 321 48.352 -10.360 -5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 48.217 -10.753 -7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 47.428 -12.000 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 46.520 -10.793 -7.324 1.00 0.00 H new ATOM 1157 N LEU A 322 46.403 -11.295 0.013 1.00 0.00 N ATOM 1158 CA LEU A 322 47.575 -11.558 0.839 1.00 0.00 C ATOM 1159 C LEU A 322 47.792 -13.061 0.989 1.00 0.00 C ATOM 1160 O LEU A 322 48.909 -13.555 0.832 1.00 0.00 O ATOM 1161 CB LEU A 322 47.400 -10.904 2.216 1.00 0.00 C ATOM 1162 CG LEU A 322 48.684 -10.701 3.030 1.00 0.00 C ATOM 1163 CD1 LEU A 322 48.393 -9.878 4.275 1.00 0.00 C ATOM 1164 CD2 LEU A 322 49.307 -12.034 3.419 1.00 0.00 C ATOM 0 H LEU A 322 45.670 -10.764 0.482 1.00 0.00 H new ATOM 0 HA LEU A 322 48.452 -11.130 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 322 46.923 -9.934 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 322 46.714 -11.515 2.802 1.00 0.00 H new ATOM 0 HG LEU A 322 49.397 -10.164 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 322 49.313 -9.741 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 322 47.998 -8.905 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 322 47.659 -10.397 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 322 50.215 -11.857 3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 322 48.600 -12.604 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 322 49.552 -12.597 2.519 1.00 0.00 H new