USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 386 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 Set 1.1: A 46 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Set 1.2: A 49 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Set 2.1: A 22 LYS NZ :NH3+ -135:sc= 0 (180deg=0) USER MOD Set 2.2: A 57 LYS NZ :NH3+ 168:sc=-0.00563 (180deg=-0.128) USER MOD Set 3.1: A 14 THR OG1 : rot -78:sc= 0.194 USER MOD Set 3.2: A 17 GLN : amide:sc= -0.387 X(o=-0.19,f=0.11) USER MOD Single : A 19 GLN : amide:sc= -0.384 K(o=-0.38,f=-1.5) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.89!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.42 USER MOD Single : A 34 GLN : amide:sc= -0.0651 X(o=-0.065,f=-0.065) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 69:sc= 0.431 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.12) USER MOD Single : A 56 ASN : amide:sc=-0.00455 K(o=-0.0046,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 182 N PHE A 13 9.285 -0.518 -6.093 1.00 0.00 N ATOM 183 CA PHE A 13 8.878 0.798 -5.661 1.00 0.00 C ATOM 184 C PHE A 13 10.141 1.558 -5.349 1.00 0.00 C ATOM 185 O PHE A 13 11.235 0.995 -5.390 1.00 0.00 O ATOM 186 CB PHE A 13 8.014 0.732 -4.374 1.00 0.00 C ATOM 187 CG PHE A 13 6.675 0.043 -4.525 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.104 -0.366 -5.752 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.954 -0.210 -3.345 1.00 0.00 C ATOM 190 CE1 PHE A 13 4.893 -1.071 -5.779 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.736 -0.895 -3.371 1.00 0.00 C ATOM 192 CZ PHE A 13 4.213 -1.344 -4.586 1.00 0.00 C ATOM 0 HA PHE A 13 8.283 1.273 -6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.583 0.217 -3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.842 1.748 -4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.607 -0.133 -6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.349 0.132 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.484 -1.404 -6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.199 -1.077 -2.452 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.287 -1.900 -4.605 1.00 0.00 H new ATOM 202 N THR A 14 10.012 2.870 -5.027 1.00 0.00 N ATOM 203 CA THR A 14 11.128 3.698 -4.620 1.00 0.00 C ATOM 204 C THR A 14 11.072 3.788 -3.120 1.00 0.00 C ATOM 205 O THR A 14 10.185 3.215 -2.491 1.00 0.00 O ATOM 206 CB THR A 14 11.168 5.081 -5.268 1.00 0.00 C ATOM 207 OG1 THR A 14 10.020 5.866 -4.965 1.00 0.00 O ATOM 208 CG2 THR A 14 11.303 4.924 -6.797 1.00 0.00 C ATOM 0 H THR A 14 9.121 3.365 -5.049 1.00 0.00 H new ATOM 0 HA THR A 14 12.052 3.233 -4.965 1.00 0.00 H new ATOM 0 HB THR A 14 12.030 5.608 -4.859 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.266 5.569 -5.515 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.332 5.909 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.223 4.386 -7.028 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.450 4.365 -7.182 1.00 0.00 H new ATOM 216 N ALA A 15 12.033 4.518 -2.508 1.00 0.00 N ATOM 217 CA ALA A 15 12.162 4.644 -1.074 1.00 0.00 C ATOM 218 C ALA A 15 11.050 5.477 -0.497 1.00 0.00 C ATOM 219 O ALA A 15 10.606 5.227 0.621 1.00 0.00 O ATOM 220 CB ALA A 15 13.497 5.304 -0.680 1.00 0.00 C ATOM 0 H ALA A 15 12.743 5.037 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 15 12.119 3.631 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.558 5.382 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.325 4.698 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.554 6.300 -1.119 1.00 0.00 H new ATOM 226 N GLU A 16 10.570 6.480 -1.273 1.00 0.00 N ATOM 227 CA GLU A 16 9.549 7.417 -0.881 1.00 0.00 C ATOM 228 C GLU A 16 8.180 6.794 -0.939 1.00 0.00 C ATOM 229 O GLU A 16 7.263 7.232 -0.248 1.00 0.00 O ATOM 230 CB GLU A 16 9.548 8.643 -1.822 1.00 0.00 C ATOM 231 CG GLU A 16 10.877 9.425 -1.833 1.00 0.00 C ATOM 232 CD GLU A 16 11.200 9.944 -0.431 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.398 10.760 0.099 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.251 9.530 0.127 1.00 0.00 O ATOM 0 H GLU A 16 10.912 6.644 -2.220 1.00 0.00 H new ATOM 0 HA GLU A 16 9.773 7.719 0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.326 8.310 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.744 9.316 -1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.683 8.781 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.810 10.260 -2.531 1.00 0.00 H new ATOM 241 N GLN A 17 8.024 5.742 -1.773 1.00 0.00 N ATOM 242 CA GLN A 17 6.785 5.032 -1.952 1.00 0.00 C ATOM 243 C GLN A 17 6.597 4.054 -0.824 1.00 0.00 C ATOM 244 O GLN A 17 5.554 4.050 -0.171 1.00 0.00 O ATOM 245 CB GLN A 17 6.758 4.275 -3.295 1.00 0.00 C ATOM 246 CG GLN A 17 6.670 5.222 -4.506 1.00 0.00 C ATOM 247 CD GLN A 17 6.771 4.429 -5.814 1.00 0.00 C ATOM 248 OE1 GLN A 17 7.670 4.668 -6.629 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.818 3.471 -6.013 1.00 0.00 N ATOM 0 H GLN A 17 8.786 5.373 -2.342 1.00 0.00 H new ATOM 0 HA GLN A 17 5.975 5.762 -1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.656 3.663 -3.381 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.906 3.595 -3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.729 5.771 -4.478 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.471 5.959 -4.458 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.098 3.314 -5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.827 2.913 -6.867 1.00 0.00 H new ATOM 258 N LEU A 18 7.635 3.221 -0.567 1.00 0.00 N ATOM 259 CA LEU A 18 7.696 2.214 0.465 1.00 0.00 C ATOM 260 C LEU A 18 7.407 2.760 1.838 1.00 0.00 C ATOM 261 O LEU A 18 6.562 2.207 2.534 1.00 0.00 O ATOM 262 CB LEU A 18 9.096 1.555 0.513 1.00 0.00 C ATOM 263 CG LEU A 18 9.410 0.653 -0.703 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.919 0.378 -0.828 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.618 -0.665 -0.674 1.00 0.00 C ATOM 0 H LEU A 18 8.492 3.254 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 18 6.928 1.486 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.852 2.337 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.175 0.960 1.423 1.00 0.00 H new ATOM 0 HG LEU A 18 9.090 1.205 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.102 -0.259 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.452 1.321 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.273 -0.123 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.874 -1.263 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.868 -1.220 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.550 -0.448 -0.683 1.00 0.00 H new ATOM 277 N GLN A 19 8.090 3.862 2.245 1.00 0.00 N ATOM 278 CA GLN A 19 8.035 4.417 3.584 1.00 0.00 C ATOM 279 C GLN A 19 6.686 4.978 3.937 1.00 0.00 C ATOM 280 O GLN A 19 6.289 4.991 5.100 1.00 0.00 O ATOM 281 CB GLN A 19 9.111 5.509 3.810 1.00 0.00 C ATOM 282 CG GLN A 19 9.029 6.795 2.952 1.00 0.00 C ATOM 283 CD GLN A 19 8.082 7.854 3.539 1.00 0.00 C ATOM 284 OE1 GLN A 19 7.917 7.964 4.760 1.00 0.00 O ATOM 285 NE2 GLN A 19 7.459 8.662 2.626 1.00 0.00 N ATOM 0 H GLN A 19 8.703 4.387 1.621 1.00 0.00 H new ATOM 0 HA GLN A 19 8.236 3.572 4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.073 5.804 4.859 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.088 5.056 3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.027 7.223 2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.694 6.534 1.948 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.629 8.530 1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.825 9.396 2.943 1.00 0.00 H new ATOM 294 N ARG A 20 5.958 5.447 2.905 1.00 0.00 N ATOM 295 CA ARG A 20 4.642 6.029 3.008 1.00 0.00 C ATOM 296 C ARG A 20 3.621 4.964 3.317 1.00 0.00 C ATOM 297 O ARG A 20 2.682 5.192 4.079 1.00 0.00 O ATOM 298 CB ARG A 20 4.259 6.757 1.701 1.00 0.00 C ATOM 299 CG ARG A 20 3.138 7.798 1.871 1.00 0.00 C ATOM 300 CD ARG A 20 2.818 8.592 0.593 1.00 0.00 C ATOM 301 NE ARG A 20 4.079 9.230 0.086 1.00 0.00 N ATOM 302 CZ ARG A 20 4.148 9.911 -1.098 1.00 0.00 C ATOM 303 NH1 ARG A 20 3.031 10.125 -1.852 1.00 0.00 N ATOM 304 NH2 ARG A 20 5.354 10.380 -1.530 1.00 0.00 N ATOM 0 H ARG A 20 6.302 5.421 1.945 1.00 0.00 H new ATOM 0 HA ARG A 20 4.657 6.756 3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.143 7.252 1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.946 6.018 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.234 7.290 2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.422 8.496 2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.399 7.931 -0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.068 9.355 0.801 1.00 0.00 H new ATOM 0 HE ARG A 20 4.924 9.152 0.651 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.127 9.775 -1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.100 10.635 -2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.193 10.221 -0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.417 10.889 -2.412 1.00 0.00 H new ATOM 318 N LEU A 21 3.818 3.750 2.744 1.00 0.00 N ATOM 319 CA LEU A 21 2.986 2.596 2.994 1.00 0.00 C ATOM 320 C LEU A 21 3.281 1.986 4.337 1.00 0.00 C ATOM 321 O LEU A 21 2.392 1.382 4.928 1.00 0.00 O ATOM 322 CB LEU A 21 3.199 1.464 1.967 1.00 0.00 C ATOM 323 CG LEU A 21 2.904 1.851 0.508 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.394 0.759 -0.460 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.414 2.175 0.282 1.00 0.00 C ATOM 0 H LEU A 21 4.577 3.566 2.088 1.00 0.00 H new ATOM 0 HA LEU A 21 1.967 2.977 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.231 1.121 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.564 0.621 2.240 1.00 0.00 H new ATOM 0 HG LEU A 21 3.460 2.765 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.174 1.056 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.470 0.626 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.886 -0.179 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.254 2.443 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.810 1.302 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.122 3.010 0.919 1.00 0.00 H new ATOM 337 N LYS A 22 4.532 2.128 4.851 1.00 0.00 N ATOM 338 CA LYS A 22 4.936 1.606 6.142 1.00 0.00 C ATOM 339 C LYS A 22 4.326 2.426 7.245 1.00 0.00 C ATOM 340 O LYS A 22 4.065 1.905 8.326 1.00 0.00 O ATOM 341 CB LYS A 22 6.470 1.627 6.387 1.00 0.00 C ATOM 342 CG LYS A 22 7.311 0.701 5.492 1.00 0.00 C ATOM 343 CD LYS A 22 6.902 -0.778 5.519 1.00 0.00 C ATOM 344 CE LYS A 22 7.110 -1.472 6.872 1.00 0.00 C ATOM 345 NZ LYS A 22 6.721 -2.900 6.802 1.00 0.00 N ATOM 0 H LYS A 22 5.280 2.616 4.359 1.00 0.00 H new ATOM 0 HA LYS A 22 4.595 0.571 6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.825 2.649 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.655 1.359 7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.249 1.060 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.355 0.779 5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.850 -0.856 5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.472 -1.313 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.155 -1.390 7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.520 -0.968 7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.154 -3.147 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.160 -3.065 5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.576 -3.492 6.777 1.00 0.00 H new ATOM 359 N ALA A 23 4.079 3.727 6.972 1.00 0.00 N ATOM 360 CA ALA A 23 3.507 4.670 7.904 1.00 0.00 C ATOM 361 C ALA A 23 2.023 4.443 8.026 1.00 0.00 C ATOM 362 O ALA A 23 1.446 4.620 9.097 1.00 0.00 O ATOM 363 CB ALA A 23 3.735 6.124 7.456 1.00 0.00 C ATOM 0 H ALA A 23 4.286 4.142 6.064 1.00 0.00 H new ATOM 0 HA ALA A 23 4.001 4.512 8.863 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.290 6.803 8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.805 6.319 7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.272 6.281 6.482 1.00 0.00 H new ATOM 369 N GLU A 24 1.382 4.020 6.909 1.00 0.00 N ATOM 370 CA GLU A 24 -0.027 3.721 6.825 1.00 0.00 C ATOM 371 C GLU A 24 -0.314 2.415 7.522 1.00 0.00 C ATOM 372 O GLU A 24 -1.302 2.307 8.244 1.00 0.00 O ATOM 373 CB GLU A 24 -0.479 3.631 5.347 1.00 0.00 C ATOM 374 CG GLU A 24 -1.960 3.284 5.136 1.00 0.00 C ATOM 375 CD GLU A 24 -2.273 3.318 3.642 1.00 0.00 C ATOM 376 OE1 GLU A 24 -1.661 2.514 2.890 1.00 0.00 O ATOM 377 OE2 GLU A 24 -3.129 4.147 3.235 1.00 0.00 O ATOM 0 H GLU A 24 1.869 3.880 6.024 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.581 4.524 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.273 4.585 4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.129 2.880 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.177 2.296 5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.592 3.994 5.669 1.00 0.00 H new ATOM 384 N PHE A 25 0.583 1.413 7.332 1.00 0.00 N ATOM 385 CA PHE A 25 0.519 0.052 7.827 1.00 0.00 C ATOM 386 C PHE A 25 0.443 -0.012 9.340 1.00 0.00 C ATOM 387 O PHE A 25 -0.116 -0.964 9.887 1.00 0.00 O ATOM 388 CB PHE A 25 1.765 -0.731 7.302 1.00 0.00 C ATOM 389 CG PHE A 25 1.900 -2.186 7.694 1.00 0.00 C ATOM 390 CD1 PHE A 25 0.794 -3.045 7.833 1.00 0.00 C ATOM 391 CD2 PHE A 25 3.188 -2.713 7.895 1.00 0.00 C ATOM 392 CE1 PHE A 25 0.972 -4.385 8.198 1.00 0.00 C ATOM 393 CE2 PHE A 25 3.370 -4.056 8.246 1.00 0.00 C ATOM 394 CZ PHE A 25 2.259 -4.892 8.403 1.00 0.00 C ATOM 0 H PHE A 25 1.428 1.569 6.783 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.398 -0.406 7.456 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.761 -0.676 6.213 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.658 -0.208 7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.202 -2.667 7.656 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.049 -2.072 7.777 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.113 -5.028 8.321 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.366 -4.446 8.395 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.395 -5.926 8.682 1.00 0.00 H new ATOM 404 N GLN A 26 0.976 1.016 10.049 1.00 0.00 N ATOM 405 CA GLN A 26 0.989 1.109 11.494 1.00 0.00 C ATOM 406 C GLN A 26 -0.396 1.066 12.080 1.00 0.00 C ATOM 407 O GLN A 26 -0.671 0.266 12.974 1.00 0.00 O ATOM 408 CB GLN A 26 1.657 2.410 12.005 1.00 0.00 C ATOM 409 CG GLN A 26 3.110 2.562 11.532 1.00 0.00 C ATOM 410 CD GLN A 26 3.717 3.867 12.065 1.00 0.00 C ATOM 411 OE1 GLN A 26 3.077 4.620 12.808 1.00 0.00 O ATOM 412 NE2 GLN A 26 4.996 4.130 11.654 1.00 0.00 N ATOM 0 H GLN A 26 1.417 1.817 9.597 1.00 0.00 H new ATOM 0 HA GLN A 26 1.567 0.243 11.817 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.078 3.268 11.664 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.632 2.421 13.095 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.701 1.713 11.875 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.146 2.556 10.443 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.479 3.474 11.040 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.466 4.982 11.962 1.00 0.00 H new ATOM 421 N THR A 27 -1.301 1.928 11.565 1.00 0.00 N ATOM 422 CA THR A 27 -2.658 2.031 12.037 1.00 0.00 C ATOM 423 C THR A 27 -3.479 1.011 11.304 1.00 0.00 C ATOM 424 O THR A 27 -3.967 0.043 11.886 1.00 0.00 O ATOM 425 CB THR A 27 -3.243 3.423 11.835 1.00 0.00 C ATOM 426 OG1 THR A 27 -2.372 4.399 12.395 1.00 0.00 O ATOM 427 CG2 THR A 27 -4.620 3.526 12.525 1.00 0.00 C ATOM 0 H THR A 27 -1.085 2.570 10.802 1.00 0.00 H new ATOM 0 HA THR A 27 -2.670 1.847 13.111 1.00 0.00 H new ATOM 0 HB THR A 27 -3.357 3.600 10.766 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.752 5.292 12.261 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.029 4.525 12.374 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.298 2.788 12.096 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.507 3.338 13.593 1.00 0.00 H new ATOM 435 N ASN A 28 -3.642 1.246 9.991 1.00 0.00 N ATOM 436 CA ASN A 28 -4.566 0.570 9.140 1.00 0.00 C ATOM 437 C ASN A 28 -3.793 -0.202 8.117 1.00 0.00 C ATOM 438 O ASN A 28 -3.123 0.367 7.256 1.00 0.00 O ATOM 439 CB ASN A 28 -5.439 1.588 8.377 1.00 0.00 C ATOM 440 CG ASN A 28 -6.398 2.321 9.325 1.00 0.00 C ATOM 441 OD1 ASN A 28 -6.301 3.543 9.490 1.00 0.00 O ATOM 442 ND2 ASN A 28 -7.341 1.549 9.944 1.00 0.00 N ATOM 0 H ASN A 28 -3.095 1.950 9.496 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.194 -0.079 9.750 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.800 2.312 7.872 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.010 1.073 7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.013 1.977 10.581 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.373 0.545 9.769 1.00 0.00 H new ATOM 449 N ARG A 29 -3.919 -1.543 8.170 1.00 0.00 N ATOM 450 CA ARG A 29 -3.436 -2.427 7.140 1.00 0.00 C ATOM 451 C ARG A 29 -4.510 -2.536 6.108 1.00 0.00 C ATOM 452 O ARG A 29 -4.245 -2.476 4.908 1.00 0.00 O ATOM 453 CB ARG A 29 -3.198 -3.870 7.642 1.00 0.00 C ATOM 454 CG ARG A 29 -2.407 -4.721 6.640 1.00 0.00 C ATOM 455 CD ARG A 29 -2.314 -6.206 7.006 1.00 0.00 C ATOM 456 NE ARG A 29 -3.639 -6.866 6.745 1.00 0.00 N ATOM 457 CZ ARG A 29 -3.991 -7.365 5.518 1.00 0.00 C ATOM 458 NH1 ARG A 29 -3.157 -7.262 4.444 1.00 0.00 N ATOM 459 NH2 ARG A 29 -5.200 -7.981 5.366 1.00 0.00 N ATOM 0 H ARG A 29 -4.367 -2.029 8.947 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.494 -2.016 6.776 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.660 -3.837 8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.159 -4.346 7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.871 -4.630 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.398 -4.316 6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.532 -6.689 6.419 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.040 -6.317 8.055 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.305 -6.946 7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.250 -6.806 4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.440 -7.641 3.540 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.832 -8.067 6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.471 -8.356 4.457 1.00 0.00 H new ATOM 473 N TYR A 30 -5.751 -2.739 6.611 1.00 0.00 N ATOM 474 CA TYR A 30 -6.885 -3.227 5.887 1.00 0.00 C ATOM 475 C TYR A 30 -7.401 -2.159 4.979 1.00 0.00 C ATOM 476 O TYR A 30 -8.141 -1.264 5.383 1.00 0.00 O ATOM 477 CB TYR A 30 -8.019 -3.680 6.839 1.00 0.00 C ATOM 478 CG TYR A 30 -7.517 -4.785 7.731 1.00 0.00 C ATOM 479 CD1 TYR A 30 -7.514 -6.116 7.283 1.00 0.00 C ATOM 480 CD2 TYR A 30 -7.010 -4.500 9.013 1.00 0.00 C ATOM 481 CE1 TYR A 30 -7.011 -7.141 8.093 1.00 0.00 C ATOM 482 CE2 TYR A 30 -6.495 -5.520 9.821 1.00 0.00 C ATOM 483 CZ TYR A 30 -6.493 -6.843 9.360 1.00 0.00 C ATOM 484 OH TYR A 30 -5.964 -7.875 10.168 1.00 0.00 O ATOM 0 H TYR A 30 -5.970 -2.548 7.589 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.562 -4.091 5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.360 -2.838 7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.876 -4.026 6.261 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.904 -6.351 6.304 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.019 -3.483 9.377 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.022 -8.162 7.741 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.100 -5.288 10.799 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.646 -7.497 11.014 1.00 0.00 H new ATOM 494 N LEU A 31 -6.978 -2.264 3.703 1.00 0.00 N ATOM 495 CA LEU A 31 -7.393 -1.389 2.644 1.00 0.00 C ATOM 496 C LEU A 31 -8.782 -1.752 2.226 1.00 0.00 C ATOM 497 O LEU A 31 -9.200 -2.908 2.299 1.00 0.00 O ATOM 498 CB LEU A 31 -6.519 -1.454 1.369 1.00 0.00 C ATOM 499 CG LEU A 31 -5.012 -1.194 1.576 1.00 0.00 C ATOM 500 CD1 LEU A 31 -4.270 -1.253 0.230 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.727 0.133 2.299 1.00 0.00 C ATOM 0 H LEU A 31 -6.323 -2.984 3.397 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.309 -0.383 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.640 -2.439 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.899 -0.726 0.653 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.639 -1.985 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.208 -1.068 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.403 -2.239 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.673 -0.494 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.651 0.260 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.129 0.960 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.199 0.121 3.281 1.00 0.00 H new ATOM 513 N THR A 32 -9.513 -0.721 1.772 1.00 0.00 N ATOM 514 CA THR A 32 -10.849 -0.831 1.248 1.00 0.00 C ATOM 515 C THR A 32 -10.718 -0.776 -0.242 1.00 0.00 C ATOM 516 O THR A 32 -9.612 -0.701 -0.775 1.00 0.00 O ATOM 517 CB THR A 32 -11.815 0.215 1.797 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.418 1.547 1.498 1.00 0.00 O ATOM 519 CG2 THR A 32 -11.855 0.053 3.327 1.00 0.00 C ATOM 0 H THR A 32 -9.162 0.237 1.767 1.00 0.00 H new ATOM 0 HA THR A 32 -11.299 -1.771 1.568 1.00 0.00 H new ATOM 0 HB THR A 32 -12.788 0.055 1.332 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.072 2.175 1.871 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.538 0.788 3.753 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.199 -0.950 3.578 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.856 0.207 3.735 1.00 0.00 H new ATOM 527 N GLU A 33 -11.864 -0.808 -0.952 1.00 0.00 N ATOM 528 CA GLU A 33 -11.920 -0.652 -2.384 1.00 0.00 C ATOM 529 C GLU A 33 -11.643 0.789 -2.740 1.00 0.00 C ATOM 530 O GLU A 33 -11.222 1.089 -3.853 1.00 0.00 O ATOM 531 CB GLU A 33 -13.304 -1.073 -2.936 1.00 0.00 C ATOM 532 CG GLU A 33 -13.376 -1.162 -4.472 1.00 0.00 C ATOM 533 CD GLU A 33 -14.747 -1.689 -4.894 1.00 0.00 C ATOM 534 OE1 GLU A 33 -15.761 -0.994 -4.612 1.00 0.00 O ATOM 535 OE2 GLU A 33 -14.798 -2.790 -5.505 1.00 0.00 O ATOM 0 H GLU A 33 -12.779 -0.946 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.166 -1.297 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.570 -2.043 -2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.052 -0.360 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.202 -0.180 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.592 -1.821 -4.845 1.00 0.00 H new ATOM 542 N GLN A 34 -11.863 1.709 -1.769 1.00 0.00 N ATOM 543 CA GLN A 34 -11.756 3.130 -1.967 1.00 0.00 C ATOM 544 C GLN A 34 -10.366 3.603 -1.659 1.00 0.00 C ATOM 545 O GLN A 34 -9.776 4.329 -2.454 1.00 0.00 O ATOM 546 CB GLN A 34 -12.775 3.891 -1.085 1.00 0.00 C ATOM 547 CG GLN A 34 -12.763 5.423 -1.241 1.00 0.00 C ATOM 548 CD GLN A 34 -13.076 5.811 -2.693 1.00 0.00 C ATOM 549 OE1 GLN A 34 -14.177 5.541 -3.189 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.082 6.455 -3.378 1.00 0.00 N ATOM 0 H GLN A 34 -12.124 1.453 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.978 3.337 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.776 3.526 -1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.581 3.647 -0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.498 5.870 -0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.788 5.817 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.192 6.653 -2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.231 6.737 -4.347 1.00 0.00 H new ATOM 559 N ARG A 35 -9.811 3.188 -0.496 1.00 0.00 N ATOM 560 CA ARG A 35 -8.497 3.558 -0.015 1.00 0.00 C ATOM 561 C ARG A 35 -7.430 3.101 -0.955 1.00 0.00 C ATOM 562 O ARG A 35 -6.522 3.859 -1.266 1.00 0.00 O ATOM 563 CB ARG A 35 -8.155 2.864 1.319 1.00 0.00 C ATOM 564 CG ARG A 35 -8.707 3.593 2.555 1.00 0.00 C ATOM 565 CD ARG A 35 -8.646 2.796 3.864 1.00 0.00 C ATOM 566 NE ARG A 35 -7.259 2.261 4.030 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.309 2.768 4.872 1.00 0.00 C ATOM 568 NH1 ARG A 35 -6.510 3.906 5.598 1.00 0.00 N ATOM 569 NH2 ARG A 35 -5.110 2.122 4.979 1.00 0.00 N ATOM 0 H ARG A 35 -10.301 2.563 0.144 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.527 4.643 0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.549 1.848 1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.072 2.784 1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.152 4.522 2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.744 3.866 2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.910 3.433 4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.367 1.979 3.844 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.000 1.450 3.468 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.394 4.410 5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.776 4.253 6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.936 1.276 4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.389 2.485 5.602 1.00 0.00 H new ATOM 583 N ARG A 36 -7.540 1.831 -1.400 1.00 0.00 N ATOM 584 CA ARG A 36 -6.567 1.149 -2.226 1.00 0.00 C ATOM 585 C ARG A 36 -6.457 1.799 -3.576 1.00 0.00 C ATOM 586 O ARG A 36 -5.367 1.978 -4.123 1.00 0.00 O ATOM 587 CB ARG A 36 -6.970 -0.322 -2.430 1.00 0.00 C ATOM 588 CG ARG A 36 -5.955 -1.150 -3.226 1.00 0.00 C ATOM 589 CD ARG A 36 -6.236 -2.659 -3.177 1.00 0.00 C ATOM 590 NE ARG A 36 -7.583 -2.932 -3.792 1.00 0.00 N ATOM 591 CZ ARG A 36 -8.672 -3.384 -3.097 1.00 0.00 C ATOM 592 NH1 ARG A 36 -8.615 -3.631 -1.757 1.00 0.00 N ATOM 593 NH2 ARG A 36 -9.846 -3.592 -3.767 1.00 0.00 N ATOM 0 H ARG A 36 -8.345 1.246 -1.176 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.607 1.207 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.114 -0.786 -1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.931 -0.355 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.960 -0.819 -4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.955 -0.960 -2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.460 -3.203 -3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.216 -3.012 -2.146 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.691 -2.769 -4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.745 -3.479 -1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.443 -3.967 -1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.900 -3.411 -4.769 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.667 -3.929 -3.264 1.00 0.00 H new ATOM 607 N GLN A 37 -7.625 2.205 -4.114 1.00 0.00 N ATOM 608 CA GLN A 37 -7.778 2.911 -5.349 1.00 0.00 C ATOM 609 C GLN A 37 -7.188 4.291 -5.284 1.00 0.00 C ATOM 610 O GLN A 37 -6.762 4.838 -6.295 1.00 0.00 O ATOM 611 CB GLN A 37 -9.277 3.036 -5.677 1.00 0.00 C ATOM 612 CG GLN A 37 -9.518 3.307 -7.159 1.00 0.00 C ATOM 613 CD GLN A 37 -11.009 3.194 -7.489 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.671 4.202 -7.760 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.537 1.931 -7.461 1.00 0.00 N ATOM 0 H GLN A 37 -8.518 2.027 -3.655 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.251 2.348 -6.120 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.789 2.118 -5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.711 3.842 -5.086 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.157 4.303 -7.416 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.951 2.597 -7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.943 1.135 -7.231 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.525 1.786 -7.671 1.00 0.00 H new ATOM 624 N SER A 38 -7.127 4.877 -4.068 1.00 0.00 N ATOM 625 CA SER A 38 -6.591 6.205 -3.867 1.00 0.00 C ATOM 626 C SER A 38 -5.094 6.147 -3.765 1.00 0.00 C ATOM 627 O SER A 38 -4.425 7.127 -4.086 1.00 0.00 O ATOM 628 CB SER A 38 -7.092 6.894 -2.585 1.00 0.00 C ATOM 629 OG SER A 38 -8.502 7.064 -2.616 1.00 0.00 O ATOM 0 H SER A 38 -7.452 4.428 -3.212 1.00 0.00 H new ATOM 0 HA SER A 38 -6.931 6.781 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.813 6.299 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.607 7.864 -2.476 1.00 0.00 H new ATOM 0 HG SER A 38 -8.939 6.189 -2.550 1.00 0.00 H new ATOM 635 N LEU A 39 -4.534 4.985 -3.336 1.00 0.00 N ATOM 636 CA LEU A 39 -3.106 4.766 -3.250 1.00 0.00 C ATOM 637 C LEU A 39 -2.555 4.562 -4.640 1.00 0.00 C ATOM 638 O LEU A 39 -1.367 4.764 -4.888 1.00 0.00 O ATOM 639 CB LEU A 39 -2.683 3.521 -2.432 1.00 0.00 C ATOM 640 CG LEU A 39 -3.332 3.312 -1.046 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.641 2.155 -0.299 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.420 4.573 -0.167 1.00 0.00 C ATOM 0 H LEU A 39 -5.086 4.179 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.716 5.649 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.892 2.638 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.603 3.564 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.371 3.052 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.109 2.020 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.739 1.237 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.585 2.388 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.890 4.322 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.418 4.960 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.015 5.331 -0.677 1.00 0.00 H new ATOM 654 N ALA A 40 -3.445 4.159 -5.580 1.00 0.00 N ATOM 655 CA ALA A 40 -3.133 3.983 -6.978 1.00 0.00 C ATOM 656 C ALA A 40 -2.926 5.311 -7.667 1.00 0.00 C ATOM 657 O ALA A 40 -2.144 5.403 -8.607 1.00 0.00 O ATOM 658 CB ALA A 40 -4.229 3.213 -7.736 1.00 0.00 C ATOM 0 H ALA A 40 -4.418 3.948 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.212 3.400 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.943 3.109 -8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.351 2.224 -7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.170 3.759 -7.669 1.00 0.00 H new ATOM 664 N GLN A 41 -3.607 6.390 -7.203 1.00 0.00 N ATOM 665 CA GLN A 41 -3.397 7.720 -7.738 1.00 0.00 C ATOM 666 C GLN A 41 -2.239 8.374 -7.023 1.00 0.00 C ATOM 667 O GLN A 41 -1.660 9.332 -7.534 1.00 0.00 O ATOM 668 CB GLN A 41 -4.625 8.657 -7.594 1.00 0.00 C ATOM 669 CG GLN A 41 -5.703 8.476 -8.684 1.00 0.00 C ATOM 670 CD GLN A 41 -6.582 7.250 -8.425 1.00 0.00 C ATOM 671 OE1 GLN A 41 -7.477 7.302 -7.570 1.00 0.00 O ATOM 672 NE2 GLN A 41 -6.332 6.144 -9.192 1.00 0.00 N ATOM 0 H GLN A 41 -4.303 6.344 -6.458 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.204 7.584 -8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.081 8.489 -6.619 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.280 9.691 -7.610 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.328 9.368 -8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.222 8.378 -9.657 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.580 6.161 -9.881 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.898 5.303 -9.074 1.00 0.00 H new ATOM 681 N GLU A 42 -1.889 7.878 -5.811 1.00 0.00 N ATOM 682 CA GLU A 42 -0.998 8.543 -4.895 1.00 0.00 C ATOM 683 C GLU A 42 0.431 8.425 -5.310 1.00 0.00 C ATOM 684 O GLU A 42 1.067 9.401 -5.703 1.00 0.00 O ATOM 685 CB GLU A 42 -1.146 7.978 -3.462 1.00 0.00 C ATOM 686 CG GLU A 42 -0.372 8.741 -2.374 1.00 0.00 C ATOM 687 CD GLU A 42 -0.603 8.067 -1.022 1.00 0.00 C ATOM 688 OE1 GLU A 42 -0.210 6.878 -0.878 1.00 0.00 O ATOM 689 OE2 GLU A 42 -1.169 8.732 -0.114 1.00 0.00 O ATOM 0 H GLU A 42 -2.237 6.986 -5.459 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.281 9.596 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.203 7.974 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.813 6.940 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.692 8.753 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.702 9.779 -2.337 1.00 0.00 H new ATOM 696 N LEU A 43 0.952 7.188 -5.224 1.00 0.00 N ATOM 697 CA LEU A 43 2.308 6.833 -5.530 1.00 0.00 C ATOM 698 C LEU A 43 2.423 6.732 -7.018 1.00 0.00 C ATOM 699 O LEU A 43 3.483 6.971 -7.598 1.00 0.00 O ATOM 700 CB LEU A 43 2.634 5.466 -4.903 1.00 0.00 C ATOM 701 CG LEU A 43 2.383 5.427 -3.377 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.613 4.014 -2.825 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.206 6.476 -2.608 1.00 0.00 C ATOM 0 H LEU A 43 0.396 6.388 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 43 2.999 7.579 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.030 4.698 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.678 5.221 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 43 1.337 5.691 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.431 4.009 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.930 3.318 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.641 3.710 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.988 6.400 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.268 6.298 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.945 7.474 -2.962 1.00 0.00 H new ATOM 715 N GLY A 44 1.279 6.397 -7.648 1.00 0.00 N ATOM 716 CA GLY A 44 1.123 6.355 -9.079 1.00 0.00 C ATOM 717 C GLY A 44 1.210 4.925 -9.483 1.00 0.00 C ATOM 718 O GLY A 44 1.784 4.592 -10.518 1.00 0.00 O ATOM 0 H GLY A 44 0.428 6.145 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.165 6.782 -9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.899 6.942 -9.569 1.00 0.00 H new ATOM 722 N LEU A 45 0.628 4.048 -8.636 1.00 0.00 N ATOM 723 CA LEU A 45 0.668 2.615 -8.830 1.00 0.00 C ATOM 724 C LEU A 45 -0.685 2.184 -9.330 1.00 0.00 C ATOM 725 O LEU A 45 -1.421 2.974 -9.918 1.00 0.00 O ATOM 726 CB LEU A 45 1.038 1.875 -7.520 1.00 0.00 C ATOM 727 CG LEU A 45 2.487 2.137 -7.046 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.666 1.639 -5.606 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.532 1.488 -7.973 1.00 0.00 C ATOM 0 H LEU A 45 0.119 4.334 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 45 1.440 2.361 -9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.347 2.179 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.901 0.804 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 45 2.654 3.214 -7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.689 1.827 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.973 2.166 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.463 0.569 -5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.533 1.701 -7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.376 0.410 -7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.428 1.894 -8.979 1.00 0.00 H new ATOM 741 N ASN A 46 -1.030 0.894 -9.123 1.00 0.00 N ATOM 742 CA ASN A 46 -2.340 0.354 -9.368 1.00 0.00 C ATOM 743 C ASN A 46 -2.808 -0.100 -8.016 1.00 0.00 C ATOM 744 O ASN A 46 -2.172 0.165 -6.998 1.00 0.00 O ATOM 745 CB ASN A 46 -2.342 -0.857 -10.339 1.00 0.00 C ATOM 746 CG ASN A 46 -1.823 -0.414 -11.714 1.00 0.00 C ATOM 747 OD1 ASN A 46 -2.293 0.585 -12.270 1.00 0.00 O ATOM 748 ND2 ASN A 46 -0.840 -1.189 -12.266 1.00 0.00 N ATOM 0 H ASN A 46 -0.371 0.200 -8.771 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.974 1.104 -9.841 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.715 -1.655 -9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.350 -1.260 -10.432 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.458 -0.953 -13.182 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.489 -2.003 -11.762 1.00 0.00 H new ATOM 755 N GLU A 47 -3.959 -0.804 -7.985 1.00 0.00 N ATOM 756 CA GLU A 47 -4.491 -1.442 -6.808 1.00 0.00 C ATOM 757 C GLU A 47 -3.694 -2.669 -6.498 1.00 0.00 C ATOM 758 O GLU A 47 -3.357 -2.948 -5.349 1.00 0.00 O ATOM 759 CB GLU A 47 -5.950 -1.896 -7.025 1.00 0.00 C ATOM 760 CG GLU A 47 -6.854 -0.698 -7.334 1.00 0.00 C ATOM 761 CD GLU A 47 -8.306 -1.041 -7.012 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.878 -1.914 -7.719 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.860 -0.443 -6.051 1.00 0.00 O ATOM 0 H GLU A 47 -4.544 -0.936 -8.810 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.444 -0.716 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.994 -2.612 -7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.312 -2.410 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.538 0.166 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.761 -0.424 -8.385 1.00 0.00 H new ATOM 770 N SER A 48 -3.410 -3.415 -7.580 1.00 0.00 N ATOM 771 CA SER A 48 -2.901 -4.766 -7.597 1.00 0.00 C ATOM 772 C SER A 48 -1.490 -4.864 -7.071 1.00 0.00 C ATOM 773 O SER A 48 -1.131 -5.861 -6.452 1.00 0.00 O ATOM 774 CB SER A 48 -2.953 -5.346 -9.035 1.00 0.00 C ATOM 775 OG SER A 48 -2.719 -6.750 -9.063 1.00 0.00 O ATOM 0 H SER A 48 -3.545 -3.049 -8.523 1.00 0.00 H new ATOM 0 HA SER A 48 -3.543 -5.347 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.928 -5.134 -9.474 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.209 -4.844 -9.653 1.00 0.00 H new ATOM 0 HG SER A 48 -2.763 -7.071 -9.988 1.00 0.00 H new ATOM 781 N GLN A 49 -0.653 -3.826 -7.308 1.00 0.00 N ATOM 782 CA GLN A 49 0.743 -3.816 -6.953 1.00 0.00 C ATOM 783 C GLN A 49 0.929 -3.688 -5.464 1.00 0.00 C ATOM 784 O GLN A 49 1.857 -4.261 -4.894 1.00 0.00 O ATOM 785 CB GLN A 49 1.465 -2.631 -7.629 1.00 0.00 C ATOM 786 CG GLN A 49 1.350 -2.671 -9.163 1.00 0.00 C ATOM 787 CD GLN A 49 2.145 -1.516 -9.782 1.00 0.00 C ATOM 788 OE1 GLN A 49 1.571 -0.534 -10.264 1.00 0.00 O ATOM 789 NE2 GLN A 49 3.504 -1.654 -9.762 1.00 0.00 N ATOM 0 H GLN A 49 -0.959 -2.965 -7.762 1.00 0.00 H new ATOM 0 HA GLN A 49 1.165 -4.761 -7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.045 -1.695 -7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.518 -2.641 -7.346 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.725 -3.623 -9.539 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.303 -2.602 -9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.926 -2.487 -9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.097 -0.924 -10.158 1.00 0.00 H new ATOM 798 N ILE A 50 0.028 -2.924 -4.808 1.00 0.00 N ATOM 799 CA ILE A 50 0.076 -2.613 -3.403 1.00 0.00 C ATOM 800 C ILE A 50 -0.648 -3.700 -2.641 1.00 0.00 C ATOM 801 O ILE A 50 -0.422 -3.894 -1.450 1.00 0.00 O ATOM 802 CB ILE A 50 -0.544 -1.257 -3.097 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.156 -0.231 -4.191 1.00 0.00 C ATOM 804 CG2 ILE A 50 -0.060 -0.783 -1.707 1.00 0.00 C ATOM 805 CD1 ILE A 50 -0.811 1.129 -3.986 1.00 0.00 C ATOM 0 H ILE A 50 -0.773 -2.503 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 50 1.120 -2.563 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.630 -1.344 -3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.927 -0.109 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.441 -0.623 -5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.500 0.188 -1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.365 -1.505 -0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.027 -0.697 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.502 1.806 -4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.895 1.017 -4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.505 1.539 -3.023 1.00 0.00 H new ATOM 817 N LYS A 51 -1.524 -4.469 -3.331 1.00 0.00 N ATOM 818 CA LYS A 51 -2.277 -5.570 -2.771 1.00 0.00 C ATOM 819 C LYS A 51 -1.338 -6.680 -2.396 1.00 0.00 C ATOM 820 O LYS A 51 -1.420 -7.253 -1.311 1.00 0.00 O ATOM 821 CB LYS A 51 -3.286 -6.117 -3.802 1.00 0.00 C ATOM 822 CG LYS A 51 -4.417 -6.959 -3.194 1.00 0.00 C ATOM 823 CD LYS A 51 -5.467 -7.411 -4.224 1.00 0.00 C ATOM 824 CE LYS A 51 -6.304 -6.259 -4.799 1.00 0.00 C ATOM 825 NZ LYS A 51 -7.325 -6.759 -5.749 1.00 0.00 N ATOM 0 H LYS A 51 -1.718 -4.319 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.813 -5.208 -1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.724 -5.279 -4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.749 -6.723 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.987 -7.839 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.911 -6.380 -2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.963 -7.925 -5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.134 -8.135 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.792 -5.721 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.650 -5.548 -5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.875 -5.958 -6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.856 -7.252 -6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.962 -7.418 -5.258 1.00 0.00 H new ATOM 839 N ILE A 52 -0.385 -6.946 -3.315 1.00 0.00 N ATOM 840 CA ILE A 52 0.720 -7.858 -3.213 1.00 0.00 C ATOM 841 C ILE A 52 1.625 -7.456 -2.081 1.00 0.00 C ATOM 842 O ILE A 52 2.032 -8.300 -1.286 1.00 0.00 O ATOM 843 CB ILE A 52 1.445 -7.869 -4.554 1.00 0.00 C ATOM 844 CG1 ILE A 52 0.572 -8.610 -5.598 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.861 -8.461 -4.430 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.090 -8.504 -7.035 1.00 0.00 C ATOM 0 H ILE A 52 -0.392 -6.474 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 52 0.373 -8.867 -2.990 1.00 0.00 H new ATOM 0 HB ILE A 52 1.588 -6.844 -4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.510 -9.663 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.441 -8.210 -5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.346 -8.452 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.445 -7.864 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.796 -9.487 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.423 -9.049 -7.703 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.125 -7.456 -7.333 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.091 -8.931 -7.093 1.00 0.00 H new ATOM 858 N TRP A 53 1.933 -6.146 -1.988 1.00 0.00 N ATOM 859 CA TRP A 53 2.794 -5.544 -0.989 1.00 0.00 C ATOM 860 C TRP A 53 2.277 -5.760 0.420 1.00 0.00 C ATOM 861 O TRP A 53 3.060 -6.018 1.328 1.00 0.00 O ATOM 862 CB TRP A 53 2.976 -4.021 -1.240 1.00 0.00 C ATOM 863 CG TRP A 53 4.013 -3.302 -0.388 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.331 -3.062 -0.662 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.757 -2.720 0.905 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.911 -2.355 0.365 1.00 0.00 N ATOM 867 CE2 TRP A 53 4.966 -2.137 1.341 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.609 -2.665 1.692 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.044 -1.488 2.568 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.709 -2.071 2.955 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.906 -1.493 3.389 1.00 0.00 C ATOM 0 H TRP A 53 1.563 -5.460 -2.646 1.00 0.00 H new ATOM 0 HA TRP A 53 3.759 -6.042 -1.082 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.240 -3.879 -2.288 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.013 -3.534 -1.085 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.843 -3.382 -1.557 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.882 -2.044 0.398 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.671 -3.068 1.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.953 -0.995 2.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.847 -2.059 3.606 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.955 -1.044 4.370 1.00 0.00 H new ATOM 882 N PHE A 54 0.944 -5.661 0.636 1.00 0.00 N ATOM 883 CA PHE A 54 0.339 -5.781 1.945 1.00 0.00 C ATOM 884 C PHE A 54 0.257 -7.224 2.377 1.00 0.00 C ATOM 885 O PHE A 54 0.251 -7.503 3.575 1.00 0.00 O ATOM 886 CB PHE A 54 -1.082 -5.148 1.995 1.00 0.00 C ATOM 887 CG PHE A 54 -1.009 -3.711 2.450 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.756 -3.433 3.807 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.203 -2.630 1.572 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.737 -2.116 4.282 1.00 0.00 C ATOM 891 CE2 PHE A 54 -1.139 -1.309 2.037 1.00 0.00 C ATOM 892 CZ PHE A 54 -0.925 -1.052 3.393 1.00 0.00 C ATOM 0 H PHE A 54 0.270 -5.494 -0.111 1.00 0.00 H new ATOM 0 HA PHE A 54 0.983 -5.233 2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.544 -5.200 1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.716 -5.718 2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.574 -4.248 4.492 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.404 -2.819 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.578 -1.922 5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.255 -0.488 1.345 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.905 -0.034 3.754 1.00 0.00 H new ATOM 902 N GLN A 55 0.224 -8.178 1.414 1.00 0.00 N ATOM 903 CA GLN A 55 0.201 -9.596 1.676 1.00 0.00 C ATOM 904 C GLN A 55 1.594 -10.128 1.902 1.00 0.00 C ATOM 905 O GLN A 55 1.756 -11.202 2.479 1.00 0.00 O ATOM 906 CB GLN A 55 -0.433 -10.367 0.496 1.00 0.00 C ATOM 907 CG GLN A 55 -1.952 -10.151 0.360 1.00 0.00 C ATOM 908 CD GLN A 55 -2.676 -10.736 1.581 1.00 0.00 C ATOM 909 OE1 GLN A 55 -2.600 -11.944 1.836 1.00 0.00 O ATOM 910 NE2 GLN A 55 -3.390 -9.853 2.345 1.00 0.00 N ATOM 0 H GLN A 55 0.213 -7.954 0.419 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.397 -9.745 2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.053 -10.060 -0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.236 -11.432 0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.170 -9.087 0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.315 -10.626 -0.551 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.420 -8.866 2.090 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.892 -10.182 3.169 1.00 0.00 H new ATOM 919 N ASN A 56 2.636 -9.374 1.477 1.00 0.00 N ATOM 920 CA ASN A 56 4.028 -9.679 1.717 1.00 0.00 C ATOM 921 C ASN A 56 4.374 -9.292 3.128 1.00 0.00 C ATOM 922 O ASN A 56 5.135 -9.978 3.807 1.00 0.00 O ATOM 923 CB ASN A 56 4.954 -8.856 0.790 1.00 0.00 C ATOM 924 CG ASN A 56 4.902 -9.375 -0.653 1.00 0.00 C ATOM 925 OD1 ASN A 56 4.398 -10.470 -0.932 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.446 -8.544 -1.594 1.00 0.00 N ATOM 0 H ASN A 56 2.505 -8.515 0.943 1.00 0.00 H new ATOM 0 HA ASN A 56 4.171 -10.744 1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.656 -7.808 0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.978 -8.904 1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.448 -8.818 -2.577 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.850 -7.650 -1.313 1.00 0.00 H new ATOM 933 N LYS A 57 3.788 -8.165 3.590 1.00 0.00 N ATOM 934 CA LYS A 57 3.925 -7.632 4.926 1.00 0.00 C ATOM 935 C LYS A 57 3.104 -8.419 5.929 1.00 0.00 C ATOM 936 O LYS A 57 3.298 -8.268 7.135 1.00 0.00 O ATOM 937 CB LYS A 57 3.552 -6.127 4.992 1.00 0.00 C ATOM 938 CG LYS A 57 4.754 -5.177 4.795 1.00 0.00 C ATOM 939 CD LYS A 57 5.456 -5.239 3.429 1.00 0.00 C ATOM 940 CE LYS A 57 6.779 -4.459 3.383 1.00 0.00 C ATOM 941 NZ LYS A 57 7.814 -5.095 4.232 1.00 0.00 N ATOM 0 H LYS A 57 3.184 -7.591 3.001 1.00 0.00 H new ATOM 0 HA LYS A 57 4.978 -7.730 5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.804 -5.914 4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.091 -5.919 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.412 -4.155 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.491 -5.393 5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.649 -6.281 3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.784 -4.845 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.134 -4.404 2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.611 -3.435 3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.741 -4.671 4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.581 -4.945 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.847 -6.115 4.033 1.00 0.00 H new