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+ 180:sc= 0 (180deg=0) USER MOD Single : A 270 SER OG : rot 73:sc= 0.564 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 :FLIP amide:sc= -2.39 F(o=-6.6!,f=-2.4) USER MOD Single : A 313 SER OG : rot -30:sc= 0.445 USER MOD Single : A 321 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 259 36.758 -6.911 -0.280 1.00 0.00 N ATOM 156 CA GLU A 259 35.681 -6.196 0.396 1.00 0.00 C ATOM 157 C GLU A 259 36.159 -4.822 0.853 1.00 0.00 C ATOM 158 O GLU A 259 35.387 -3.862 0.886 1.00 0.00 O ATOM 159 CB GLU A 259 35.175 -7.002 1.595 1.00 0.00 C ATOM 160 CG GLU A 259 36.249 -7.294 2.630 1.00 0.00 C ATOM 161 CD GLU A 259 35.728 -8.099 3.805 1.00 0.00 C ATOM 162 OE1 GLU A 259 34.524 -8.433 3.811 1.00 0.00 O ATOM 163 OE2 GLU A 259 36.525 -8.395 4.720 1.00 0.00 O ATOM 0 HA GLU A 259 34.860 -6.064 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 259 34.362 -6.455 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 259 34.760 -7.945 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 259 37.066 -7.838 2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 259 36.662 -6.353 2.994 1.00 0.00 H new ATOM 170 N GLU A 260 37.440 -4.741 1.205 1.00 0.00 N ATOM 171 CA GLU A 260 38.039 -3.493 1.662 1.00 0.00 C ATOM 172 C GLU A 260 37.776 -2.364 0.671 1.00 0.00 C ATOM 173 O GLU A 260 37.626 -1.208 1.062 1.00 0.00 O ATOM 174 CB GLU A 260 39.546 -3.670 1.861 1.00 0.00 C ATOM 175 CG GLU A 260 39.910 -4.731 2.889 1.00 0.00 C ATOM 176 CD GLU A 260 39.424 -4.392 4.286 1.00 0.00 C ATOM 177 OE1 GLU A 260 38.194 -4.300 4.484 1.00 0.00 O ATOM 178 OE2 GLU A 260 40.275 -4.218 5.183 1.00 0.00 O ATOM 0 H GLU A 260 38.085 -5.531 1.182 1.00 0.00 H new ATOM 0 HA GLU A 260 37.580 -3.228 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 260 40.001 -3.932 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 260 39.977 -2.717 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 260 39.484 -5.687 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 260 40.993 -4.856 2.907 1.00 0.00 H new ATOM 185 N GLU A 261 37.725 -2.706 -0.613 1.00 0.00 N ATOM 186 CA GLU A 261 37.483 -1.719 -1.661 1.00 0.00 C ATOM 187 C GLU A 261 36.119 -1.054 -1.490 1.00 0.00 C ATOM 188 O GLU A 261 36.013 0.173 -1.486 1.00 0.00 O ATOM 189 CB GLU A 261 37.571 -2.379 -3.040 1.00 0.00 C ATOM 190 CG GLU A 261 37.267 -1.437 -4.197 1.00 0.00 C ATOM 191 CD GLU A 261 38.248 -0.283 -4.294 1.00 0.00 C ATOM 192 OE1 GLU A 261 38.310 0.530 -3.348 1.00 0.00 O ATOM 193 OE2 GLU A 261 38.956 -0.193 -5.319 1.00 0.00 O ATOM 0 H GLU A 261 37.848 -3.660 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 261 38.251 -0.949 -1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 261 38.572 -2.789 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 261 36.876 -3.218 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 261 37.283 -2.000 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 261 36.258 -1.041 -4.081 1.00 0.00 H new ATOM 200 N LEU A 262 35.078 -1.870 -1.352 1.00 0.00 N ATOM 201 CA LEU A 262 33.722 -1.358 -1.184 1.00 0.00 C ATOM 202 C LEU A 262 33.610 -0.522 0.086 1.00 0.00 C ATOM 203 O LEU A 262 33.086 0.594 0.064 1.00 0.00 O ATOM 204 CB LEU A 262 32.717 -2.512 -1.141 1.00 0.00 C ATOM 205 CG LEU A 262 32.699 -3.409 -2.382 1.00 0.00 C ATOM 206 CD1 LEU A 262 31.685 -4.529 -2.211 1.00 0.00 C ATOM 207 CD2 LEU A 262 32.389 -2.594 -3.630 1.00 0.00 C ATOM 0 H LEU A 262 35.147 -2.888 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 262 33.494 -0.721 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 262 32.934 -3.129 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 262 31.719 -2.098 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 262 33.688 -3.852 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 262 31.684 -5.158 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 262 31.951 -5.131 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 262 30.692 -4.102 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 262 32.381 -3.250 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 262 31.413 -2.122 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 262 33.151 -1.826 -3.762 1.00 0.00 H new ATOM 219 N ILE A 263 34.112 -1.065 1.191 1.00 0.00 N ATOM 220 CA ILE A 263 34.074 -0.368 2.469 1.00 0.00 C ATOM 221 C ILE A 263 34.819 0.960 2.381 1.00 0.00 C ATOM 222 O ILE A 263 34.368 1.974 2.915 1.00 0.00 O ATOM 223 CB ILE A 263 34.690 -1.222 3.597 1.00 0.00 C ATOM 224 CG1 ILE A 263 33.922 -2.540 3.743 1.00 0.00 C ATOM 225 CG2 ILE A 263 34.688 -0.449 4.910 1.00 0.00 C ATOM 226 CD1 ILE A 263 34.485 -3.459 4.807 1.00 0.00 C ATOM 0 H ILE A 263 34.550 -1.986 1.226 1.00 0.00 H new ATOM 0 HA ILE A 263 33.026 -0.183 2.703 1.00 0.00 H new ATOM 0 HB ILE A 263 35.723 -1.452 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 263 32.881 -2.319 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 263 33.927 -3.061 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 263 35.126 -1.065 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 263 35.273 0.463 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 263 33.664 -0.192 5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 263 33.890 -4.371 4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 263 35.517 -3.711 4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 263 34.454 -2.957 5.774 1.00 0.00 H new ATOM 238 N ARG A 264 35.959 0.946 1.697 1.00 0.00 N ATOM 239 CA ARG A 264 36.768 2.147 1.532 1.00 0.00 C ATOM 240 C ARG A 264 35.955 3.236 0.839 1.00 0.00 C ATOM 241 O ARG A 264 35.955 4.392 1.264 1.00 0.00 O ATOM 242 CB ARG A 264 38.026 1.832 0.718 1.00 0.00 C ATOM 243 CG ARG A 264 39.286 2.515 1.235 1.00 0.00 C ATOM 244 CD ARG A 264 39.135 4.027 1.295 1.00 0.00 C ATOM 245 NE ARG A 264 40.356 4.677 1.764 1.00 0.00 N ATOM 246 CZ ARG A 264 40.460 5.984 1.988 1.00 0.00 C ATOM 247 NH1 ARG A 264 39.413 6.777 1.807 1.00 0.00 N ATOM 248 NH2 ARG A 264 41.613 6.497 2.399 1.00 0.00 N ATOM 0 H ARG A 264 36.343 0.115 1.248 1.00 0.00 H new ATOM 0 HA ARG A 264 37.069 2.504 2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 264 38.184 0.754 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 264 37.861 2.132 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 264 39.522 2.135 2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 264 40.126 2.261 0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 264 38.879 4.406 0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 264 38.309 4.284 1.958 1.00 0.00 H new ATOM 0 HE ARG A 264 41.177 4.095 1.929 1.00 0.00 H new ATOM 0 HH11 ARG A 264 38.524 6.385 1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 264 39.496 7.779 1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 264 42.419 5.889 2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 264 41.693 7.499 2.571 1.00 0.00 H new ATOM 262 N LYS A 265 35.252 2.852 -0.225 1.00 0.00 N ATOM 263 CA LYS A 265 34.420 3.791 -0.970 1.00 0.00 C ATOM 264 C LYS A 265 33.373 4.411 -0.056 1.00 0.00 C ATOM 265 O LYS A 265 33.149 5.621 -0.080 1.00 0.00 O ATOM 266 CB LYS A 265 33.731 3.088 -2.141 1.00 0.00 C ATOM 267 CG LYS A 265 34.695 2.536 -3.179 1.00 0.00 C ATOM 268 CD LYS A 265 33.957 1.860 -4.325 1.00 0.00 C ATOM 269 CE LYS A 265 33.029 2.828 -5.044 1.00 0.00 C ATOM 270 NZ LYS A 265 32.286 2.168 -6.153 1.00 0.00 N ATOM 0 H LYS A 265 35.243 1.899 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 265 35.063 4.579 -1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 265 33.121 2.271 -1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 265 33.053 3.790 -2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 265 35.312 3.345 -3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 265 35.369 1.821 -2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 265 34.679 1.453 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 265 33.379 1.019 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 265 32.319 3.247 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 265 33.610 3.660 -5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 31.665 2.862 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 32.962 1.790 -6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 31.711 1.390 -5.771 1.00 0.00 H new ATOM 284 N ALA A 266 32.740 3.569 0.756 1.00 0.00 N ATOM 285 CA ALA A 266 31.720 4.029 1.689 1.00 0.00 C ATOM 286 C ALA A 266 32.287 5.091 2.622 1.00 0.00 C ATOM 287 O ALA A 266 31.634 6.093 2.910 1.00 0.00 O ATOM 288 CB ALA A 266 31.169 2.858 2.488 1.00 0.00 C ATOM 0 H ALA A 266 32.917 2.565 0.786 1.00 0.00 H new ATOM 0 HA ALA A 266 30.905 4.475 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 266 30.408 3.216 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 266 30.727 2.130 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 266 31.977 2.387 3.048 1.00 0.00 H new ATOM 294 N ILE A 267 33.513 4.864 3.086 1.00 0.00 N ATOM 295 CA ILE A 267 34.179 5.800 3.982 1.00 0.00 C ATOM 296 C ILE A 267 34.387 7.148 3.299 1.00 0.00 C ATOM 297 O ILE A 267 34.149 8.199 3.893 1.00 0.00 O ATOM 298 CB ILE A 267 35.545 5.255 4.452 1.00 0.00 C ATOM 299 CG1 ILE A 267 35.374 3.896 5.141 1.00 0.00 C ATOM 300 CG2 ILE A 267 36.223 6.248 5.386 1.00 0.00 C ATOM 301 CD1 ILE A 267 34.483 3.935 6.365 1.00 0.00 C ATOM 0 H ILE A 267 34.065 4.038 2.855 1.00 0.00 H new ATOM 0 HA ILE A 267 33.533 5.928 4.851 1.00 0.00 H new ATOM 0 HB ILE A 267 36.181 5.118 3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 267 34.960 3.186 4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 267 36.356 3.521 5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 267 37.184 5.847 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 267 36.380 7.191 4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 267 35.591 6.417 6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 267 34.412 2.936 6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 267 34.906 4.618 7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 267 33.489 4.279 6.080 1.00 0.00 H new ATOM 313 N GLU A 268 34.832 7.108 2.045 1.00 0.00 N ATOM 314 CA GLU A 268 35.073 8.326 1.276 1.00 0.00 C ATOM 315 C GLU A 268 33.793 9.142 1.128 1.00 0.00 C ATOM 316 O GLU A 268 33.796 10.358 1.323 1.00 0.00 O ATOM 317 CB GLU A 268 35.629 7.981 -0.107 1.00 0.00 C ATOM 318 CG GLU A 268 36.939 7.213 -0.061 1.00 0.00 C ATOM 319 CD GLU A 268 37.472 6.884 -1.442 1.00 0.00 C ATOM 320 OE1 GLU A 268 37.733 7.828 -2.217 1.00 0.00 O ATOM 321 OE2 GLU A 268 37.629 5.683 -1.747 1.00 0.00 O ATOM 0 H GLU A 268 35.033 6.245 1.540 1.00 0.00 H new ATOM 0 HA GLU A 268 35.805 8.925 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 268 34.890 7.391 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 268 35.777 8.902 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 268 37.681 7.800 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 268 36.794 6.289 0.498 1.00 0.00 H new ATOM 328 N LEU A 269 32.702 8.466 0.784 1.00 0.00 N ATOM 329 CA LEU A 269 31.414 9.128 0.610 1.00 0.00 C ATOM 330 C LEU A 269 30.960 9.782 1.908 1.00 0.00 C ATOM 331 O LEU A 269 30.449 10.902 1.904 1.00 0.00 O ATOM 332 CB LEU A 269 30.361 8.127 0.130 1.00 0.00 C ATOM 333 CG LEU A 269 30.634 7.504 -1.242 1.00 0.00 C ATOM 334 CD1 LEU A 269 29.574 6.467 -1.576 1.00 0.00 C ATOM 335 CD2 LEU A 269 30.681 8.581 -2.316 1.00 0.00 C ATOM 0 H LEU A 269 32.684 7.459 0.620 1.00 0.00 H new ATOM 0 HA LEU A 269 31.532 9.906 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 269 30.281 7.327 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 269 29.394 8.628 0.098 1.00 0.00 H new ATOM 0 HG LEU A 269 31.604 7.008 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 269 29.784 6.035 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 269 29.584 5.680 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 269 28.593 6.942 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 269 30.876 8.121 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 269 29.725 9.104 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 269 31.475 9.291 -2.085 1.00 0.00 H new ATOM 347 N SER A 270 31.152 9.077 3.018 1.00 0.00 N ATOM 348 CA SER A 270 30.764 9.594 4.323 1.00 0.00 C ATOM 349 C SER A 270 31.537 10.866 4.652 1.00 0.00 C ATOM 350 O SER A 270 30.963 11.849 5.118 1.00 0.00 O ATOM 351 CB SER A 270 31.002 8.540 5.406 1.00 0.00 C ATOM 352 OG SER A 270 30.226 7.379 5.166 1.00 0.00 O ATOM 0 H SER A 270 31.573 8.148 3.039 1.00 0.00 H new ATOM 0 HA SER A 270 29.701 9.834 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 270 32.059 8.275 5.434 1.00 0.00 H new ATOM 0 HB3 SER A 270 30.751 8.954 6.382 1.00 0.00 H new ATOM 0 HG SER A 270 30.605 6.882 4.411 1.00 0.00 H new ATOM 358 N LEU A 271 32.842 10.842 4.400 1.00 0.00 N ATOM 359 CA LEU A 271 33.694 11.997 4.663 1.00 0.00 C ATOM 360 C LEU A 271 33.279 13.179 3.793 1.00 0.00 C ATOM 361 O LEU A 271 33.350 14.332 4.218 1.00 0.00 O ATOM 362 CB LEU A 271 35.162 11.647 4.405 1.00 0.00 C ATOM 363 CG LEU A 271 35.717 10.496 5.248 1.00 0.00 C ATOM 364 CD1 LEU A 271 37.160 10.206 4.869 1.00 0.00 C ATOM 365 CD2 LEU A 271 35.610 10.818 6.732 1.00 0.00 C ATOM 0 H LEU A 271 33.333 10.035 4.014 1.00 0.00 H new ATOM 0 HA LEU A 271 33.577 12.276 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 271 35.278 11.393 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 271 35.768 12.535 4.588 1.00 0.00 H new ATOM 0 HG LEU A 271 35.122 9.606 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 271 37.538 9.385 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 271 37.211 9.930 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 271 37.767 11.095 5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 271 36.010 9.988 7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 271 36.179 11.721 6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 271 34.564 10.976 6.996 1.00 0.00 H new ATOM 377 N LYS A 272 32.852 12.878 2.570 1.00 0.00 N ATOM 378 CA LYS A 272 32.428 13.906 1.625 1.00 0.00 C ATOM 379 C LYS A 272 31.360 14.808 2.230 1.00 0.00 C ATOM 380 O LYS A 272 31.400 16.027 2.059 1.00 0.00 O ATOM 381 CB LYS A 272 31.902 13.261 0.341 1.00 0.00 C ATOM 382 CG LYS A 272 31.476 14.268 -0.717 1.00 0.00 C ATOM 383 CD LYS A 272 30.977 13.581 -1.979 1.00 0.00 C ATOM 384 CE LYS A 272 29.728 12.753 -1.714 1.00 0.00 C ATOM 385 NZ LYS A 272 29.243 12.071 -2.945 1.00 0.00 N ATOM 0 H LYS A 272 32.790 11.926 2.209 1.00 0.00 H new ATOM 0 HA LYS A 272 33.297 14.521 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 272 32.676 12.616 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 272 31.053 12.623 0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 272 30.690 14.907 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 272 32.318 14.915 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 272 30.762 14.331 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 272 31.762 12.938 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 272 29.942 12.009 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 272 28.941 13.398 -1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 28.391 11.518 -2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 29.015 12.782 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 29.984 11.436 -3.305 1.00 0.00 H new ATOM 892 N ASP A 305 -35.135 -12.740 1.957 1.00 0.00 N ATOM 893 CA ASP A 305 -35.887 -11.859 2.847 1.00 0.00 C ATOM 894 C ASP A 305 -35.285 -10.457 2.875 1.00 0.00 C ATOM 895 O ASP A 305 -36.010 -9.461 2.873 1.00 0.00 O ATOM 896 CB ASP A 305 -35.922 -12.438 4.263 1.00 0.00 C ATOM 897 CG ASP A 305 -36.591 -13.799 4.319 1.00 0.00 C ATOM 898 OD1 ASP A 305 -37.030 -14.292 3.258 1.00 0.00 O ATOM 899 OD2 ASP A 305 -36.675 -14.373 5.425 1.00 0.00 O ATOM 0 HA ASP A 305 -36.905 -11.787 2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 305 -34.904 -12.522 4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 305 -36.452 -11.749 4.921 1.00 0.00 H new ATOM 904 N LEU A 306 -33.958 -10.386 2.911 1.00 0.00 N ATOM 905 CA LEU A 306 -33.260 -9.105 2.949 1.00 0.00 C ATOM 906 C LEU A 306 -33.594 -8.261 1.723 1.00 0.00 C ATOM 907 O LEU A 306 -33.879 -7.069 1.838 1.00 0.00 O ATOM 908 CB LEU A 306 -31.747 -9.325 3.032 1.00 0.00 C ATOM 909 CG LEU A 306 -30.908 -8.049 3.131 1.00 0.00 C ATOM 910 CD1 LEU A 306 -31.220 -7.300 4.418 1.00 0.00 C ATOM 911 CD2 LEU A 306 -29.425 -8.379 3.051 1.00 0.00 C ATOM 0 H LEU A 306 -33.344 -11.201 2.915 1.00 0.00 H new ATOM 0 HA LEU A 306 -33.593 -8.569 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 306 -31.534 -9.949 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 306 -31.428 -9.883 2.152 1.00 0.00 H new ATOM 0 HG LEU A 306 -31.164 -7.404 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 306 -30.613 -6.396 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 306 -32.276 -7.030 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 306 -30.995 -7.937 5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 306 -28.843 -7.460 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 306 -29.156 -9.044 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 306 -29.212 -8.870 2.101 1.00 0.00 H new ATOM 923 N LYS A 307 -33.557 -8.887 0.551 1.00 0.00 N ATOM 924 CA LYS A 307 -33.854 -8.193 -0.698 1.00 0.00 C ATOM 925 C LYS A 307 -35.258 -7.597 -0.669 1.00 0.00 C ATOM 926 O LYS A 307 -35.456 -6.433 -1.022 1.00 0.00 O ATOM 927 CB LYS A 307 -33.717 -9.154 -1.883 1.00 0.00 C ATOM 928 CG LYS A 307 -34.007 -8.512 -3.231 1.00 0.00 C ATOM 929 CD LYS A 307 -33.013 -7.407 -3.554 1.00 0.00 C ATOM 930 CE LYS A 307 -33.305 -6.776 -4.905 1.00 0.00 C ATOM 931 NZ LYS A 307 -32.312 -5.722 -5.252 1.00 0.00 N ATOM 0 H LYS A 307 -33.324 -9.874 0.440 1.00 0.00 H new ATOM 0 HA LYS A 307 -33.138 -7.380 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 307 -32.705 -9.560 -1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 307 -34.396 -9.994 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 307 -33.972 -9.272 -4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 307 -35.017 -8.103 -3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 307 -33.051 -6.643 -2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 307 -32.002 -7.813 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 307 -33.299 -7.548 -5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 307 -34.305 -6.343 -4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 307 -32.546 -5.316 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 307 -32.335 -4.973 -4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 307 -31.360 -6.140 -5.287 1.00 0.00 H new ATOM 945 N ALA A 308 -36.227 -8.401 -0.245 1.00 0.00 N ATOM 946 CA ALA A 308 -37.612 -7.954 -0.168 1.00 0.00 C ATOM 947 C ALA A 308 -37.759 -6.784 0.800 1.00 0.00 C ATOM 948 O ALA A 308 -38.471 -5.820 0.518 1.00 0.00 O ATOM 949 CB ALA A 308 -38.516 -9.103 0.251 1.00 0.00 C ATOM 0 H ALA A 308 -36.078 -9.366 0.051 1.00 0.00 H new ATOM 0 HA ALA A 308 -37.912 -7.613 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 308 -39.547 -8.754 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 308 -38.443 -9.909 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 308 -38.207 -9.471 1.229 1.00 0.00 H new ATOM 955 N ALA A 309 -37.082 -6.878 1.941 1.00 0.00 N ATOM 956 CA ALA A 309 -37.136 -5.829 2.953 1.00 0.00 C ATOM 957 C ALA A 309 -36.628 -4.502 2.400 1.00 0.00 C ATOM 958 O ALA A 309 -37.205 -3.448 2.663 1.00 0.00 O ATOM 959 CB ALA A 309 -36.330 -6.236 4.178 1.00 0.00 C ATOM 0 H ALA A 309 -36.489 -7.671 2.187 1.00 0.00 H new ATOM 0 HA ALA A 309 -38.178 -5.694 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 309 -36.379 -5.444 4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 309 -36.742 -7.155 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 309 -35.291 -6.401 3.892 1.00 0.00 H new ATOM 965 N ILE A 310 -35.544 -4.562 1.635 1.00 0.00 N ATOM 966 CA ILE A 310 -34.959 -3.364 1.045 1.00 0.00 C ATOM 967 C ILE A 310 -35.901 -2.745 0.016 1.00 0.00 C ATOM 968 O ILE A 310 -36.042 -1.525 -0.056 1.00 0.00 O ATOM 969 CB ILE A 310 -33.603 -3.672 0.373 1.00 0.00 C ATOM 970 CG1 ILE A 310 -32.630 -4.290 1.383 1.00 0.00 C ATOM 971 CG2 ILE A 310 -33.009 -2.410 -0.238 1.00 0.00 C ATOM 972 CD1 ILE A 310 -32.331 -3.400 2.572 1.00 0.00 C ATOM 0 H ILE A 310 -35.053 -5.427 1.409 1.00 0.00 H new ATOM 0 HA ILE A 310 -34.797 -2.655 1.857 1.00 0.00 H new ATOM 0 HB ILE A 310 -33.773 -4.393 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 310 -33.044 -5.232 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 310 -31.695 -4.526 0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 310 -32.054 -2.647 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 310 -33.693 -2.013 -0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 310 -32.855 -1.665 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 310 -31.636 -3.907 3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 310 -31.886 -2.467 2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 310 -33.256 -3.184 3.107 1.00 0.00 H new ATOM 984 N GLN A 311 -36.538 -3.596 -0.784 1.00 0.00 N ATOM 985 CA GLN A 311 -37.461 -3.137 -1.817 1.00 0.00 C ATOM 986 C GLN A 311 -38.668 -2.423 -1.208 1.00 0.00 C ATOM 987 O GLN A 311 -39.053 -1.346 -1.662 1.00 0.00 O ATOM 988 CB GLN A 311 -37.916 -4.323 -2.677 1.00 0.00 C ATOM 989 CG GLN A 311 -38.838 -3.943 -3.830 1.00 0.00 C ATOM 990 CD GLN A 311 -40.294 -3.784 -3.418 1.00 0.00 C ATOM 991 OE1 GLN A 311 -40.625 -4.199 -2.199 1.00 0.00 O flip ATOM 992 NE2 GLN A 311 -41.120 -3.311 -4.199 1.00 0.00 N flip ATOM 0 H GLN A 311 -36.431 -4.609 -0.736 1.00 0.00 H new ATOM 0 HA GLN A 311 -36.937 -2.419 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 311 -37.036 -4.823 -3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 311 -38.428 -5.044 -2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 311 -38.489 -3.009 -4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 311 -38.770 -4.706 -4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 311 -40.827 -3.003 -5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 311 -42.097 -3.227 -3.919 1.00 0.00 H new ATOM 1001 N GLU A 312 -39.266 -3.031 -0.187 1.00 0.00 N ATOM 1002 CA GLU A 312 -40.434 -2.449 0.468 1.00 0.00 C ATOM 1003 C GLU A 312 -40.073 -1.168 1.210 1.00 0.00 C ATOM 1004 O GLU A 312 -40.847 -0.212 1.228 1.00 0.00 O ATOM 1005 CB GLU A 312 -41.069 -3.454 1.432 1.00 0.00 C ATOM 1006 CG GLU A 312 -40.144 -3.900 2.552 1.00 0.00 C ATOM 1007 CD GLU A 312 -40.806 -4.883 3.500 1.00 0.00 C ATOM 1008 OE1 GLU A 312 -41.989 -5.219 3.278 1.00 0.00 O ATOM 1009 OE2 GLU A 312 -40.141 -5.316 4.464 1.00 0.00 O ATOM 0 H GLU A 312 -38.963 -3.923 0.204 1.00 0.00 H new ATOM 0 HA GLU A 312 -41.157 -2.200 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 312 -41.964 -3.009 1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 312 -41.391 -4.330 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 312 -39.254 -4.359 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 312 -39.812 -3.027 3.114 1.00 0.00 H new ATOM 1016 N SER A 313 -38.899 -1.158 1.827 1.00 0.00 N ATOM 1017 CA SER A 313 -38.443 0.006 2.577 1.00 0.00 C ATOM 1018 C SER A 313 -38.239 1.207 1.660 1.00 0.00 C ATOM 1019 O SER A 313 -38.700 2.310 1.957 1.00 0.00 O ATOM 1020 CB SER A 313 -37.144 -0.312 3.321 1.00 0.00 C ATOM 1021 OG SER A 313 -36.109 -0.659 2.418 1.00 0.00 O ATOM 0 H SER A 313 -38.246 -1.941 1.823 1.00 0.00 H new ATOM 0 HA SER A 313 -39.216 0.258 3.303 1.00 0.00 H new ATOM 0 HB2 SER A 313 -36.840 0.551 3.913 1.00 0.00 H new ATOM 0 HB3 SER A 313 -37.313 -1.133 4.018 1.00 0.00 H new ATOM 0 HG SER A 313 -36.497 -1.079 1.622 1.00 0.00 H new ATOM 1027 N LEU A 314 -37.546 0.990 0.547 1.00 0.00 N ATOM 1028 CA LEU A 314 -37.285 2.062 -0.406 1.00 0.00 C ATOM 1029 C LEU A 314 -38.575 2.515 -1.084 1.00 0.00 C ATOM 1030 O LEU A 314 -38.758 3.700 -1.361 1.00 0.00 O ATOM 1031 CB LEU A 314 -36.242 1.620 -1.446 1.00 0.00 C ATOM 1032 CG LEU A 314 -36.620 0.412 -2.312 1.00 0.00 C ATOM 1033 CD1 LEU A 314 -37.527 0.827 -3.462 1.00 0.00 C ATOM 1034 CD2 LEU A 314 -35.369 -0.273 -2.840 1.00 0.00 C ATOM 0 H LEU A 314 -37.156 0.085 0.284 1.00 0.00 H new ATOM 0 HA LEU A 314 -36.879 2.913 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -36.037 2.463 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -35.313 1.390 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 314 -37.168 -0.295 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -37.780 -0.048 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -38.440 1.270 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -37.012 1.557 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -35.654 -1.128 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -34.796 0.431 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -34.760 -0.613 -2.003 1.00 0.00 H new ATOM 1046 N ARG A 315 -39.465 1.563 -1.348 1.00 0.00 N ATOM 1047 CA ARG A 315 -40.739 1.860 -1.993 1.00 0.00 C ATOM 1048 C ARG A 315 -41.604 2.751 -1.107 1.00 0.00 C ATOM 1049 O ARG A 315 -42.154 3.753 -1.565 1.00 0.00 O ATOM 1050 CB ARG A 315 -41.484 0.562 -2.314 1.00 0.00 C ATOM 1051 CG ARG A 315 -42.831 0.774 -2.987 1.00 0.00 C ATOM 1052 CD ARG A 315 -42.684 1.436 -4.349 1.00 0.00 C ATOM 1053 NE ARG A 315 -41.899 0.621 -5.272 1.00 0.00 N ATOM 1054 CZ ARG A 315 -41.643 0.969 -6.529 1.00 0.00 C ATOM 1055 NH1 ARG A 315 -42.107 2.115 -7.010 1.00 0.00 N ATOM 1056 NH2 ARG A 315 -40.923 0.172 -7.307 1.00 0.00 N ATOM 0 H ARG A 315 -39.327 0.577 -1.125 1.00 0.00 H new ATOM 0 HA ARG A 315 -40.533 2.393 -2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -40.859 -0.054 -2.961 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -41.634 0.003 -1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -43.335 -0.186 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -43.463 1.392 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 315 -43.672 1.615 -4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -42.208 2.409 -4.230 1.00 0.00 H new ATOM 0 HE ARG A 315 -41.526 -0.266 -4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 315 -42.661 2.731 -6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 315 -41.909 2.380 -7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 315 -40.565 -0.710 -6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 315 -40.728 0.441 -8.271 1.00 0.00 H new ATOM 1070 N GLU A 316 -41.720 2.378 0.164 1.00 0.00 N ATOM 1071 CA GLU A 316 -42.519 3.140 1.118 1.00 0.00 C ATOM 1072 C GLU A 316 -41.947 4.540 1.313 1.00 0.00 C ATOM 1073 O GLU A 316 -42.686 5.524 1.339 1.00 0.00 O ATOM 1074 CB GLU A 316 -42.580 2.408 2.461 1.00 0.00 C ATOM 1075 CG GLU A 316 -43.427 3.119 3.505 1.00 0.00 C ATOM 1076 CD GLU A 316 -43.473 2.373 4.825 1.00 0.00 C ATOM 1077 OE1 GLU A 316 -42.398 2.157 5.423 1.00 0.00 O ATOM 1078 OE2 GLU A 316 -44.584 2.004 5.259 1.00 0.00 O ATOM 0 H GLU A 316 -41.270 1.551 0.558 1.00 0.00 H new ATOM 0 HA GLU A 316 -43.528 3.234 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 316 -42.980 1.407 2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 316 -41.567 2.289 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 316 -43.028 4.120 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 316 -44.441 3.239 3.124 1.00 0.00 H new ATOM 1085 N ALA A 317 -40.627 4.622 1.453 1.00 0.00 N ATOM 1086 CA ALA A 317 -39.954 5.901 1.649 1.00 0.00 C ATOM 1087 C ALA A 317 -40.186 6.834 0.465 1.00 0.00 C ATOM 1088 O ALA A 317 -40.453 8.023 0.642 1.00 0.00 O ATOM 1089 CB ALA A 317 -38.464 5.685 1.867 1.00 0.00 C ATOM 0 H ALA A 317 -40.002 3.816 1.434 1.00 0.00 H new ATOM 0 HA ALA A 317 -40.377 6.372 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -37.974 6.648 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -38.312 5.064 2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -38.037 5.188 0.996 1.00 0.00 H new ATOM 1095 N GLU A 318 -40.077 6.286 -0.740 1.00 0.00 N ATOM 1096 CA GLU A 318 -40.271 7.064 -1.958 1.00 0.00 C ATOM 1097 C GLU A 318 -41.695 7.606 -2.044 1.00 0.00 C ATOM 1098 O GLU A 318 -41.906 8.771 -2.379 1.00 0.00 O ATOM 1099 CB GLU A 318 -39.964 6.203 -3.186 1.00 0.00 C ATOM 1100 CG GLU A 318 -40.108 6.947 -4.503 1.00 0.00 C ATOM 1101 CD GLU A 318 -39.788 6.075 -5.702 1.00 0.00 C ATOM 1102 OE1 GLU A 318 -38.648 5.573 -5.783 1.00 0.00 O ATOM 1103 OE2 GLU A 318 -40.678 5.896 -6.560 1.00 0.00 O ATOM 0 H GLU A 318 -39.855 5.303 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 318 -39.585 7.911 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 318 -38.947 5.819 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 318 -40.631 5.341 -3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 318 -41.127 7.324 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 318 -39.446 7.813 -4.501 1.00 0.00 H new ATOM 1110 N GLU A 319 -42.668 6.751 -1.743 1.00 0.00 N ATOM 1111 CA GLU A 319 -44.074 7.142 -1.788 1.00 0.00 C ATOM 1112 C GLU A 319 -44.377 8.225 -0.756 1.00 0.00 C ATOM 1113 O GLU A 319 -45.097 9.181 -1.042 1.00 0.00 O ATOM 1114 CB GLU A 319 -44.972 5.926 -1.553 1.00 0.00 C ATOM 1115 CG GLU A 319 -44.836 4.853 -2.621 1.00 0.00 C ATOM 1116 CD GLU A 319 -45.221 5.350 -4.000 1.00 0.00 C ATOM 1117 OE1 GLU A 319 -46.386 5.764 -4.178 1.00 0.00 O ATOM 1118 OE2 GLU A 319 -44.357 5.328 -4.902 1.00 0.00 O ATOM 0 H GLU A 319 -42.509 5.783 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 319 -44.278 7.548 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -44.735 5.492 -0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -46.010 6.255 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -43.807 4.495 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -45.464 4.002 -2.357 1.00 0.00 H new ATOM 1125 N ALA A 320 -43.827 8.067 0.444 1.00 0.00 N ATOM 1126 CA ALA A 320 -44.042 9.030 1.519 1.00 0.00 C ATOM 1127 C ALA A 320 -43.515 10.410 1.137 1.00 0.00 C ATOM 1128 O ALA A 320 -44.205 11.417 1.304 1.00 0.00 O ATOM 1129 CB ALA A 320 -43.379 8.547 2.799 1.00 0.00 C ATOM 0 H ALA A 320 -43.229 7.281 0.697 1.00 0.00 H new ATOM 0 HA ALA A 320 -45.116 9.115 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -43.547 9.275 3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -43.806 7.587 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -42.308 8.432 2.633 1.00 0.00 H new ATOM 1135 N LYS A 321 -42.291 10.448 0.621 1.00 0.00 N ATOM 1136 CA LYS A 321 -41.669 11.702 0.211 1.00 0.00 C ATOM 1137 C LYS A 321 -42.454 12.352 -0.923 1.00 0.00 C ATOM 1138 O LYS A 321 -42.706 13.557 -0.907 1.00 0.00 O ATOM 1139 CB LYS A 321 -40.223 11.455 -0.231 1.00 0.00 C ATOM 1140 CG LYS A 321 -39.507 12.706 -0.722 1.00 0.00 C ATOM 1141 CD LYS A 321 -39.349 13.741 0.383 1.00 0.00 C ATOM 1142 CE LYS A 321 -38.466 13.228 1.510 1.00 0.00 C ATOM 1143 NZ LYS A 321 -38.303 14.238 2.592 1.00 0.00 N ATOM 0 H LYS A 321 -41.709 9.623 0.477 1.00 0.00 H new ATOM 0 HA LYS A 321 -41.672 12.379 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -39.665 11.033 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -40.219 10.710 -1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -38.524 12.434 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -40.065 13.142 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -38.918 14.653 -0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -40.330 14.003 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -38.899 12.318 1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -37.487 12.962 1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -37.695 13.850 3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -37.866 15.097 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -39.234 14.474 2.990 1.00 0.00 H new ATOM 1157 N LEU A 322 -42.835 11.544 -1.906 1.00 0.00 N ATOM 1158 CA LEU A 322 -43.589 12.031 -3.056 1.00 0.00 C ATOM 1159 C LEU A 322 -44.924 12.627 -2.619 1.00 0.00 C ATOM 1160 O LEU A 322 -45.352 13.661 -3.133 1.00 0.00 O ATOM 1161 CB LEU A 322 -43.825 10.889 -4.048 1.00 0.00 C ATOM 1162 CG LEU A 322 -44.531 11.285 -5.346 1.00 0.00 C ATOM 1163 CD1 LEU A 322 -43.684 12.270 -6.137 1.00 0.00 C ATOM 1164 CD2 LEU A 322 -44.837 10.051 -6.182 1.00 0.00 C ATOM 0 H LEU A 322 -42.633 10.544 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 322 -43.007 12.814 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -42.863 10.443 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -44.415 10.117 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 322 -45.473 11.771 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -44.203 12.540 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -43.515 13.166 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -42.726 11.811 -6.382 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -45.339 10.350 -7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -43.907 9.538 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -45.484 9.380 -5.617 1.00 0.00 H new