USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 395 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 9 SER OG : rot 180:sc= 0.278 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0887 USER MOD Single : A 12 GLN : amide:sc= -2.22! C(o=-2.2!,f=-4.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= 0.964 F(o=0,f=0.96) USER MOD Single : A 23 ASN : amide:sc=-0.00266 X(o=-0.0027,f=0.18) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 32 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.21) USER MOD Single : A 33 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.23) USER MOD Single : A 35 SER OG : rot -50:sc= 0.432 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -3.41! C(o=-3.4!,f=-12!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00528) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.0713 X(o=0.071,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 146:sc= -0.533 (180deg=-3.07!) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -7.999 -7.060 3.648 1.00 0.00 N ATOM 176 CA SER A 9 -9.038 -7.939 3.124 1.00 0.00 C ATOM 177 C SER A 9 -8.831 -8.192 1.636 1.00 0.00 C ATOM 178 O SER A 9 -8.215 -7.383 0.943 1.00 0.00 O ATOM 179 CB SER A 9 -10.419 -7.322 3.347 1.00 0.00 C ATOM 180 OG SER A 9 -10.699 -6.343 2.361 1.00 0.00 O ATOM 0 HA SER A 9 -8.976 -8.888 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.180 -8.102 3.317 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.464 -6.870 4.338 1.00 0.00 H new ATOM 0 HG SER A 9 -11.588 -5.962 2.521 1.00 0.00 H new ATOM 186 N SER A 10 -9.353 -9.312 1.147 1.00 0.00 N ATOM 187 CA SER A 10 -9.227 -9.655 -0.265 1.00 0.00 C ATOM 188 C SER A 10 -9.722 -8.511 -1.145 1.00 0.00 C ATOM 189 O SER A 10 -9.117 -8.194 -2.168 1.00 0.00 O ATOM 190 CB SER A 10 -10.008 -10.931 -0.578 1.00 0.00 C ATOM 191 OG SER A 10 -10.266 -11.676 0.600 1.00 0.00 O ATOM 0 H SER A 10 -9.865 -9.995 1.705 1.00 0.00 H new ATOM 0 HA SER A 10 -8.172 -9.827 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.950 -10.674 -1.063 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.444 -11.543 -1.282 1.00 0.00 H new ATOM 0 HG SER A 10 -10.768 -12.486 0.371 1.00 0.00 H new ATOM 197 N GLU A 11 -10.823 -7.889 -0.731 1.00 0.00 N ATOM 198 CA GLU A 11 -11.394 -6.772 -1.474 1.00 0.00 C ATOM 199 C GLU A 11 -10.389 -5.630 -1.559 1.00 0.00 C ATOM 200 O GLU A 11 -10.144 -5.079 -2.634 1.00 0.00 O ATOM 201 CB GLU A 11 -12.684 -6.290 -0.808 1.00 0.00 C ATOM 202 CG GLU A 11 -13.605 -5.528 -1.747 1.00 0.00 C ATOM 203 CD GLU A 11 -15.068 -5.857 -1.522 1.00 0.00 C ATOM 204 OE1 GLU A 11 -15.523 -6.907 -2.022 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.757 -5.066 -0.846 1.00 0.00 O ATOM 0 H GLU A 11 -11.336 -8.140 0.114 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.630 -7.111 -2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.219 -7.150 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.430 -5.650 0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.452 -4.457 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.339 -5.759 -2.778 1.00 0.00 H new ATOM 212 N GLN A 12 -9.791 -5.296 -0.419 1.00 0.00 N ATOM 213 CA GLN A 12 -8.793 -4.235 -0.372 1.00 0.00 C ATOM 214 C GLN A 12 -7.555 -4.664 -1.151 1.00 0.00 C ATOM 215 O GLN A 12 -6.861 -3.839 -1.746 1.00 0.00 O ATOM 216 CB GLN A 12 -8.412 -3.911 1.076 1.00 0.00 C ATOM 217 CG GLN A 12 -9.567 -3.380 1.912 1.00 0.00 C ATOM 218 CD GLN A 12 -9.357 -3.600 3.398 1.00 0.00 C ATOM 219 OE1 GLN A 12 -8.464 -4.341 3.807 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.182 -2.955 4.214 1.00 0.00 N ATOM 0 H GLN A 12 -9.979 -5.742 0.479 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.216 -3.338 -0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.018 -4.811 1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.609 -3.174 1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.691 -2.314 1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.491 -3.869 1.602 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.909 -2.350 3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.089 -3.064 5.224 1.00 0.00 H new ATOM 229 N LEU A 13 -7.294 -5.968 -1.144 1.00 0.00 N ATOM 230 CA LEU A 13 -6.153 -6.533 -1.849 1.00 0.00 C ATOM 231 C LEU A 13 -6.301 -6.342 -3.355 1.00 0.00 C ATOM 232 O LEU A 13 -5.369 -5.908 -4.031 1.00 0.00 O ATOM 233 CB LEU A 13 -6.026 -8.024 -1.524 1.00 0.00 C ATOM 234 CG LEU A 13 -5.068 -8.366 -0.380 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.629 -8.149 -0.811 1.00 0.00 C ATOM 236 CD2 LEU A 13 -5.388 -7.540 0.859 1.00 0.00 C ATOM 0 H LEU A 13 -7.864 -6.656 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.253 -6.014 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.015 -8.410 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.696 -8.547 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.198 -9.418 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.961 -8.397 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.404 -8.789 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.487 -7.106 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.695 -7.800 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.291 -6.480 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.408 -7.748 1.181 1.00 0.00 H new ATOM 248 N ALA A 14 -7.482 -6.667 -3.873 1.00 0.00 N ATOM 249 CA ALA A 14 -7.755 -6.528 -5.298 1.00 0.00 C ATOM 250 C ALA A 14 -7.656 -5.071 -5.728 1.00 0.00 C ATOM 251 O ALA A 14 -7.009 -4.749 -6.724 1.00 0.00 O ATOM 252 CB ALA A 14 -9.132 -7.086 -5.629 1.00 0.00 C ATOM 0 H ALA A 14 -8.264 -7.028 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.005 -7.097 -5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.322 -6.975 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.171 -8.142 -5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.890 -6.541 -5.067 1.00 0.00 H new ATOM 258 N ARG A 15 -8.300 -4.194 -4.966 1.00 0.00 N ATOM 259 CA ARG A 15 -8.279 -2.767 -5.265 1.00 0.00 C ATOM 260 C ARG A 15 -6.870 -2.207 -5.119 1.00 0.00 C ATOM 261 O ARG A 15 -6.411 -1.423 -5.951 1.00 0.00 O ATOM 262 CB ARG A 15 -9.233 -2.019 -4.336 1.00 0.00 C ATOM 263 CG ARG A 15 -10.656 -2.555 -4.364 1.00 0.00 C ATOM 264 CD ARG A 15 -11.603 -1.595 -5.069 1.00 0.00 C ATOM 265 NE ARG A 15 -12.463 -2.282 -6.029 1.00 0.00 N ATOM 266 CZ ARG A 15 -13.494 -3.049 -5.683 1.00 0.00 C ATOM 267 NH1 ARG A 15 -13.795 -3.231 -4.403 1.00 0.00 N ATOM 268 NH2 ARG A 15 -14.228 -3.636 -6.620 1.00 0.00 N ATOM 0 H ARG A 15 -8.842 -4.445 -4.139 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.603 -2.629 -6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.852 -2.076 -3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.245 -0.965 -4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.672 -3.520 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -11.002 -2.724 -3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.220 -1.086 -4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.025 -0.828 -5.584 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.262 -2.167 -7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.235 -2.782 -3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.586 -3.820 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.002 -3.499 -7.605 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.018 -4.224 -6.355 1.00 0.00 H new ATOM 282 N LEU A 16 -6.188 -2.614 -4.054 1.00 0.00 N ATOM 283 CA LEU A 16 -4.830 -2.156 -3.793 1.00 0.00 C ATOM 284 C LEU A 16 -3.880 -2.622 -4.893 1.00 0.00 C ATOM 285 O LEU A 16 -3.073 -1.843 -5.400 1.00 0.00 O ATOM 286 CB LEU A 16 -4.349 -2.669 -2.435 1.00 0.00 C ATOM 287 CG LEU A 16 -4.834 -1.867 -1.227 1.00 0.00 C ATOM 288 CD1 LEU A 16 -4.726 -2.699 0.042 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.037 -0.578 -1.092 1.00 0.00 C ATOM 0 H LEU A 16 -6.555 -3.262 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.835 -1.066 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.675 -3.703 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.259 -2.676 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.882 -1.609 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.075 -2.113 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.339 -3.595 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.687 -2.986 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.394 -0.018 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.981 -0.815 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.164 0.024 -1.992 1.00 0.00 H new ATOM 301 N LYS A 17 -3.987 -3.896 -5.262 1.00 0.00 N ATOM 302 CA LYS A 17 -3.140 -4.460 -6.307 1.00 0.00 C ATOM 303 C LYS A 17 -3.384 -3.751 -7.634 1.00 0.00 C ATOM 304 O LYS A 17 -2.450 -3.484 -8.390 1.00 0.00 O ATOM 305 CB LYS A 17 -3.405 -5.961 -6.460 1.00 0.00 C ATOM 306 CG LYS A 17 -2.758 -6.809 -5.376 1.00 0.00 C ATOM 307 CD LYS A 17 -2.589 -8.253 -5.823 1.00 0.00 C ATOM 308 CE LYS A 17 -3.621 -9.163 -5.175 1.00 0.00 C ATOM 309 NZ LYS A 17 -3.400 -10.593 -5.524 1.00 0.00 N ATOM 0 H LYS A 17 -4.650 -4.555 -4.854 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.099 -4.314 -6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.481 -6.134 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.038 -6.289 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.785 -6.391 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.369 -6.776 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.681 -8.312 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.587 -8.599 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.581 -9.044 -4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.620 -8.862 -5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.125 -11.179 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.464 -10.713 -6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.457 -10.888 -5.199 1.00 0.00 H new ATOM 323 N ARG A 18 -4.649 -3.443 -7.908 1.00 0.00 N ATOM 324 CA ARG A 18 -5.021 -2.759 -9.140 1.00 0.00 C ATOM 325 C ARG A 18 -4.371 -1.380 -9.205 1.00 0.00 C ATOM 326 O ARG A 18 -3.825 -0.987 -10.236 1.00 0.00 O ATOM 327 CB ARG A 18 -6.541 -2.625 -9.233 1.00 0.00 C ATOM 328 CG ARG A 18 -7.049 -2.378 -10.645 1.00 0.00 C ATOM 329 CD ARG A 18 -8.437 -1.755 -10.635 1.00 0.00 C ATOM 330 NE ARG A 18 -9.277 -2.266 -11.717 1.00 0.00 N ATOM 331 CZ ARG A 18 -9.395 -1.684 -12.909 1.00 0.00 C ATOM 332 NH1 ARG A 18 -8.720 -0.576 -13.190 1.00 0.00 N ATOM 333 NH2 ARG A 18 -10.191 -2.216 -13.828 1.00 0.00 N ATOM 0 H ARG A 18 -5.433 -3.657 -7.292 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.665 -3.352 -9.983 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.001 -3.534 -8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.864 -1.805 -8.592 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.357 -1.721 -11.172 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.075 -3.319 -11.194 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.917 -1.957 -9.678 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.349 -0.672 -10.726 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.806 -3.122 -11.548 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.104 -0.163 -12.490 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.817 -0.138 -14.106 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.711 -3.069 -13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.283 -1.772 -14.742 1.00 0.00 H new ATOM 347 N GLU A 19 -4.434 -0.652 -8.095 1.00 0.00 N ATOM 348 CA GLU A 19 -3.850 0.681 -8.021 1.00 0.00 C ATOM 349 C GLU A 19 -2.336 0.616 -8.197 1.00 0.00 C ATOM 350 O GLU A 19 -1.741 1.464 -8.863 1.00 0.00 O ATOM 351 CB GLU A 19 -4.191 1.338 -6.682 1.00 0.00 C ATOM 352 CG GLU A 19 -5.683 1.395 -6.396 1.00 0.00 C ATOM 353 CD GLU A 19 -6.251 2.794 -6.538 1.00 0.00 C ATOM 354 OE1 GLU A 19 -5.667 3.598 -7.295 1.00 0.00 O ATOM 355 OE2 GLU A 19 -7.279 3.085 -5.891 1.00 0.00 O ATOM 0 H GLU A 19 -4.884 -0.963 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.270 1.282 -8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.696 0.789 -5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.788 2.351 -6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.206 0.724 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.870 1.032 -5.385 1.00 0.00 H new ATOM 362 N PHE A 20 -1.719 -0.396 -7.596 1.00 0.00 N ATOM 363 CA PHE A 20 -0.275 -0.573 -7.688 1.00 0.00 C ATOM 364 C PHE A 20 0.144 -0.872 -9.123 1.00 0.00 C ATOM 365 O PHE A 20 1.171 -0.384 -9.594 1.00 0.00 O ATOM 366 CB PHE A 20 0.184 -1.705 -6.767 1.00 0.00 C ATOM 367 CG PHE A 20 1.678 -1.813 -6.650 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.404 -2.573 -7.554 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.356 -1.153 -5.638 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.778 -2.673 -7.449 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.730 -1.250 -5.529 1.00 0.00 C ATOM 372 CZ PHE A 20 4.442 -2.010 -6.436 1.00 0.00 C ATOM 0 H PHE A 20 -2.197 -1.106 -7.040 1.00 0.00 H new ATOM 0 HA PHE A 20 0.199 0.356 -7.373 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.240 -1.550 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.213 -2.649 -7.139 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.890 -3.093 -8.349 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.805 -0.556 -4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.332 -3.269 -8.159 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.247 -0.732 -4.735 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.516 -2.086 -6.353 1.00 0.00 H new ATOM 382 N ASN A 21 -0.661 -1.671 -9.815 1.00 0.00 N ATOM 383 CA ASN A 21 -0.373 -2.027 -11.199 1.00 0.00 C ATOM 384 C ASN A 21 -0.379 -0.786 -12.083 1.00 0.00 C ATOM 385 O ASN A 21 0.320 -0.729 -13.095 1.00 0.00 O ATOM 386 CB ASN A 21 -1.397 -3.042 -11.712 1.00 0.00 C ATOM 387 CG ASN A 21 -0.957 -4.474 -11.477 1.00 0.00 C ATOM 388 OD1 ASN A 21 -0.229 -5.034 -12.435 1.00 0.00 O flip ATOM 389 ND2 ASN A 21 -1.267 -5.070 -10.445 1.00 0.00 N flip ATOM 0 H ASN A 21 -1.516 -2.083 -9.441 1.00 0.00 H new ATOM 0 HA ASN A 21 0.619 -2.477 -11.238 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.353 -2.872 -11.216 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.558 -2.884 -12.778 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.828 -4.601 -9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.962 -6.033 -10.301 1.00 0.00 H new ATOM 396 N GLU A 22 -1.166 0.210 -11.688 1.00 0.00 N ATOM 397 CA GLU A 22 -1.256 1.456 -12.438 1.00 0.00 C ATOM 398 C GLU A 22 -0.111 2.388 -12.062 1.00 0.00 C ATOM 399 O GLU A 22 0.457 3.068 -12.915 1.00 0.00 O ATOM 400 CB GLU A 22 -2.597 2.142 -12.169 1.00 0.00 C ATOM 401 CG GLU A 22 -3.746 1.577 -12.986 1.00 0.00 C ATOM 402 CD GLU A 22 -5.097 1.837 -12.350 1.00 0.00 C ATOM 403 OE1 GLU A 22 -5.196 2.772 -11.528 1.00 0.00 O ATOM 404 OE2 GLU A 22 -6.057 1.105 -12.673 1.00 0.00 O ATOM 0 H GLU A 22 -1.750 0.178 -10.853 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.184 1.224 -13.501 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.836 2.050 -11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.500 3.206 -12.382 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.728 2.016 -13.984 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.607 0.503 -13.108 1.00 0.00 H new ATOM 411 N ASN A 23 0.224 2.408 -10.776 1.00 0.00 N ATOM 412 CA ASN A 23 1.303 3.252 -10.280 1.00 0.00 C ATOM 413 C ASN A 23 1.739 2.814 -8.884 1.00 0.00 C ATOM 414 O ASN A 23 1.000 2.974 -7.913 1.00 0.00 O ATOM 415 CB ASN A 23 0.865 4.719 -10.257 1.00 0.00 C ATOM 416 CG ASN A 23 1.731 5.595 -11.142 1.00 0.00 C ATOM 417 OD1 ASN A 23 1.494 5.708 -12.345 1.00 0.00 O ATOM 418 ND2 ASN A 23 2.741 6.220 -10.549 1.00 0.00 N ATOM 0 H ASN A 23 -0.237 1.849 -10.059 1.00 0.00 H new ATOM 0 HA ASN A 23 2.152 3.147 -10.955 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.173 4.791 -10.583 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.904 5.091 -9.233 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.358 6.823 -11.093 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.900 6.097 -9.549 1.00 0.00 H new ATOM 425 N ARG A 24 2.947 2.265 -8.792 1.00 0.00 N ATOM 426 CA ARG A 24 3.487 1.808 -7.514 1.00 0.00 C ATOM 427 C ARG A 24 3.890 2.988 -6.627 1.00 0.00 C ATOM 428 O ARG A 24 4.308 2.801 -5.484 1.00 0.00 O ATOM 429 CB ARG A 24 4.692 0.894 -7.744 1.00 0.00 C ATOM 430 CG ARG A 24 5.736 1.483 -8.679 1.00 0.00 C ATOM 431 CD ARG A 24 7.105 0.865 -8.442 1.00 0.00 C ATOM 432 NE ARG A 24 8.166 1.599 -9.128 1.00 0.00 N ATOM 433 CZ ARG A 24 8.339 1.594 -10.448 1.00 0.00 C ATOM 434 NH1 ARG A 24 7.525 0.893 -11.229 1.00 0.00 N ATOM 435 NH2 ARG A 24 9.329 2.291 -10.990 1.00 0.00 N ATOM 0 H ARG A 24 3.571 2.126 -9.587 1.00 0.00 H new ATOM 0 HA ARG A 24 2.704 1.249 -7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.159 0.675 -6.784 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.344 -0.055 -8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.435 1.318 -9.713 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.792 2.562 -8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.313 0.844 -7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.100 -0.169 -8.786 1.00 0.00 H new ATOM 0 HE ARG A 24 8.813 2.148 -8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.762 0.355 -10.818 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.663 0.893 -12.240 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.958 2.831 -10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.461 2.287 -12.001 1.00 0.00 H new ATOM 449 N TYR A 25 3.757 4.203 -7.156 1.00 0.00 N ATOM 450 CA TYR A 25 4.101 5.408 -6.416 1.00 0.00 C ATOM 451 C TYR A 25 2.837 6.148 -6.001 1.00 0.00 C ATOM 452 O TYR A 25 2.052 6.575 -6.847 1.00 0.00 O ATOM 453 CB TYR A 25 4.979 6.324 -7.270 1.00 0.00 C ATOM 454 CG TYR A 25 6.448 5.973 -7.229 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.995 5.081 -8.143 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.290 6.536 -6.279 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.338 4.760 -8.111 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.634 6.221 -6.240 1.00 0.00 C ATOM 459 CZ TYR A 25 9.154 5.332 -7.158 1.00 0.00 C ATOM 460 OH TYR A 25 10.492 5.015 -7.122 1.00 0.00 O ATOM 0 H TYR A 25 3.411 4.376 -8.100 1.00 0.00 H new ATOM 0 HA TYR A 25 4.655 5.119 -5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.634 6.283 -8.303 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.851 7.352 -6.932 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.359 4.631 -8.891 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.887 7.232 -5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.747 4.064 -8.829 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.275 6.668 -5.495 1.00 0.00 H new ATOM 0 HH TYR A 25 10.925 5.505 -6.392 1.00 0.00 H new ATOM 470 N LEU A 26 2.636 6.290 -4.698 1.00 0.00 N ATOM 471 CA LEU A 26 1.456 6.972 -4.188 1.00 0.00 C ATOM 472 C LEU A 26 1.710 8.463 -4.013 1.00 0.00 C ATOM 473 O LEU A 26 2.790 8.969 -4.317 1.00 0.00 O ATOM 474 CB LEU A 26 1.021 6.369 -2.849 1.00 0.00 C ATOM 475 CG LEU A 26 0.051 5.187 -2.927 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.493 4.874 -1.543 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.099 5.472 -3.886 1.00 0.00 C ATOM 0 H LEU A 26 3.271 5.944 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 26 0.660 6.838 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.913 6.046 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.557 7.155 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 26 0.599 4.325 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.183 4.032 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.331 4.619 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.019 5.746 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.768 4.612 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.650 6.348 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.703 5.660 -4.884 1.00 0.00 H new ATOM 489 N THR A 27 0.695 9.154 -3.510 1.00 0.00 N ATOM 490 CA THR A 27 0.771 10.587 -3.271 1.00 0.00 C ATOM 491 C THR A 27 -0.175 10.966 -2.141 1.00 0.00 C ATOM 492 O THR A 27 -0.984 10.149 -1.709 1.00 0.00 O ATOM 493 CB THR A 27 0.403 11.358 -4.540 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.003 11.383 -4.719 1.00 0.00 O ATOM 495 CG2 THR A 27 1.015 10.776 -5.796 1.00 0.00 C ATOM 0 H THR A 27 -0.201 8.737 -3.257 1.00 0.00 H new ATOM 0 HA THR A 27 1.792 10.846 -2.991 1.00 0.00 H new ATOM 0 HB THR A 27 0.803 12.362 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.220 11.882 -5.534 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.713 11.371 -6.658 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.102 10.787 -5.710 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.672 9.750 -5.926 1.00 0.00 H new ATOM 503 N GLU A 28 -0.085 12.201 -1.665 1.00 0.00 N ATOM 504 CA GLU A 28 -0.960 12.652 -0.589 1.00 0.00 C ATOM 505 C GLU A 28 -2.420 12.464 -0.986 1.00 0.00 C ATOM 506 O GLU A 28 -3.207 11.870 -0.248 1.00 0.00 O ATOM 507 CB GLU A 28 -0.690 14.121 -0.255 1.00 0.00 C ATOM 508 CG GLU A 28 -0.637 14.406 1.238 1.00 0.00 C ATOM 509 CD GLU A 28 -0.499 15.884 1.544 1.00 0.00 C ATOM 510 OE1 GLU A 28 -1.187 16.694 0.887 1.00 0.00 O ATOM 511 OE2 GLU A 28 0.296 16.233 2.442 1.00 0.00 O ATOM 0 H GLU A 28 0.576 12.901 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.754 12.053 0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.256 14.420 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.468 14.737 -0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.542 14.024 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.203 13.868 1.677 1.00 0.00 H new ATOM 518 N ARG A 29 -2.766 12.968 -2.164 1.00 0.00 N ATOM 519 CA ARG A 29 -4.122 12.855 -2.681 1.00 0.00 C ATOM 520 C ARG A 29 -4.532 11.395 -2.845 1.00 0.00 C ATOM 521 O ARG A 29 -5.665 11.023 -2.544 1.00 0.00 O ATOM 522 CB ARG A 29 -4.238 13.581 -4.022 1.00 0.00 C ATOM 523 CG ARG A 29 -4.341 15.092 -3.889 1.00 0.00 C ATOM 524 CD ARG A 29 -5.409 15.661 -4.809 1.00 0.00 C ATOM 525 NE ARG A 29 -5.113 17.035 -5.207 1.00 0.00 N ATOM 526 CZ ARG A 29 -4.274 17.359 -6.189 1.00 0.00 C ATOM 527 NH1 ARG A 29 -3.642 16.411 -6.872 1.00 0.00 N ATOM 528 NH2 ARG A 29 -4.063 18.633 -6.487 1.00 0.00 N ATOM 0 H ARG A 29 -2.121 13.461 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.795 13.319 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.370 13.337 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.116 13.211 -4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.573 15.352 -2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.378 15.545 -4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.492 15.036 -5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.375 15.630 -4.306 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.576 17.791 -4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.798 15.429 -6.645 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.001 16.665 -7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.543 19.365 -5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.420 18.881 -7.239 1.00 0.00 H new ATOM 542 N ARG A 30 -3.607 10.572 -3.336 1.00 0.00 N ATOM 543 CA ARG A 30 -3.882 9.157 -3.554 1.00 0.00 C ATOM 544 C ARG A 30 -4.087 8.418 -2.235 1.00 0.00 C ATOM 545 O ARG A 30 -4.990 7.594 -2.115 1.00 0.00 O ATOM 546 CB ARG A 30 -2.740 8.511 -4.344 1.00 0.00 C ATOM 547 CG ARG A 30 -3.177 7.932 -5.680 1.00 0.00 C ATOM 548 CD ARG A 30 -2.066 8.013 -6.715 1.00 0.00 C ATOM 549 NE ARG A 30 -2.320 7.140 -7.859 1.00 0.00 N ATOM 550 CZ ARG A 30 -1.732 7.282 -9.045 1.00 0.00 C ATOM 551 NH1 ARG A 30 -0.851 8.254 -9.246 1.00 0.00 N ATOM 552 NH2 ARG A 30 -2.025 6.447 -10.033 1.00 0.00 N ATOM 0 H ARG A 30 -2.663 10.862 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.805 9.083 -4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.962 9.255 -4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.295 7.719 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.476 6.892 -5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.052 8.471 -6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.966 9.042 -7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.118 7.738 -6.252 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.987 6.377 -7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.621 8.898 -8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.404 8.357 -10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.700 5.697 -9.884 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.575 6.555 -10.942 1.00 0.00 H new ATOM 566 N ARG A 31 -3.245 8.713 -1.251 1.00 0.00 N ATOM 567 CA ARG A 31 -3.340 8.065 0.051 1.00 0.00 C ATOM 568 C ARG A 31 -4.680 8.365 0.715 1.00 0.00 C ATOM 569 O ARG A 31 -5.368 7.458 1.186 1.00 0.00 O ATOM 570 CB ARG A 31 -2.196 8.523 0.958 1.00 0.00 C ATOM 571 CG ARG A 31 -1.619 7.409 1.816 1.00 0.00 C ATOM 572 CD ARG A 31 -0.112 7.538 1.962 1.00 0.00 C ATOM 573 NE ARG A 31 0.262 8.183 3.221 1.00 0.00 N ATOM 574 CZ ARG A 31 0.800 9.400 3.310 1.00 0.00 C ATOM 575 NH1 ARG A 31 1.031 10.122 2.220 1.00 0.00 N ATOM 576 NH2 ARG A 31 1.108 9.897 4.500 1.00 0.00 N ATOM 0 H ARG A 31 -2.491 9.395 -1.330 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.265 6.989 -0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.402 8.945 0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.555 9.322 1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.084 7.431 2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.861 6.444 1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.343 6.549 1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.285 8.115 1.127 1.00 0.00 H new ATOM 0 HE ARG A 31 0.101 7.668 4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.796 9.747 1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.443 11.052 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.933 9.349 5.342 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.520 10.827 4.573 1.00 0.00 H new ATOM 590 N GLN A 32 -5.041 9.641 0.753 1.00 0.00 N ATOM 591 CA GLN A 32 -6.297 10.065 1.363 1.00 0.00 C ATOM 592 C GLN A 32 -7.495 9.516 0.593 1.00 0.00 C ATOM 593 O GLN A 32 -8.474 9.067 1.189 1.00 0.00 O ATOM 594 CB GLN A 32 -6.370 11.591 1.422 1.00 0.00 C ATOM 595 CG GLN A 32 -7.566 12.111 2.202 1.00 0.00 C ATOM 596 CD GLN A 32 -8.749 12.432 1.309 1.00 0.00 C ATOM 597 OE1 GLN A 32 -9.682 11.639 1.188 1.00 0.00 O ATOM 598 NE2 GLN A 32 -8.714 13.599 0.677 1.00 0.00 N ATOM 0 H GLN A 32 -4.482 10.402 0.368 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.329 9.666 2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.456 11.973 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.410 11.984 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.864 11.367 2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.276 13.007 2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.920 14.226 0.807 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.481 13.869 0.061 1.00 0.00 H new ATOM 607 N GLN A 33 -7.413 9.555 -0.733 1.00 0.00 N ATOM 608 CA GLN A 33 -8.496 9.062 -1.574 1.00 0.00 C ATOM 609 C GLN A 33 -8.644 7.552 -1.431 1.00 0.00 C ATOM 610 O GLN A 33 -9.755 7.039 -1.309 1.00 0.00 O ATOM 611 CB GLN A 33 -8.248 9.430 -3.039 1.00 0.00 C ATOM 612 CG GLN A 33 -8.989 10.681 -3.482 1.00 0.00 C ATOM 613 CD GLN A 33 -10.495 10.502 -3.465 1.00 0.00 C ATOM 614 OE1 GLN A 33 -11.074 9.924 -4.384 1.00 0.00 O ATOM 615 NE2 GLN A 33 -11.137 10.999 -2.413 1.00 0.00 N ATOM 0 H GLN A 33 -6.611 9.921 -1.246 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.422 9.534 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.179 9.577 -3.193 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.550 8.595 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.718 11.510 -2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.670 10.951 -4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.616 11.471 -1.674 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.151 10.909 -2.345 1.00 0.00 H new ATOM 624 N LEU A 34 -7.521 6.844 -1.438 1.00 0.00 N ATOM 625 CA LEU A 34 -7.536 5.393 -1.300 1.00 0.00 C ATOM 626 C LEU A 34 -8.074 4.998 0.069 1.00 0.00 C ATOM 627 O LEU A 34 -8.807 4.022 0.201 1.00 0.00 O ATOM 628 CB LEU A 34 -6.130 4.817 -1.492 1.00 0.00 C ATOM 629 CG LEU A 34 -5.903 4.088 -2.816 1.00 0.00 C ATOM 630 CD1 LEU A 34 -4.459 4.241 -3.268 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.270 2.618 -2.682 1.00 0.00 C ATOM 0 H LEU A 34 -6.591 7.250 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.189 4.984 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.408 5.630 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.922 4.126 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.547 4.536 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.316 3.716 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.230 5.298 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.795 3.819 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.103 2.113 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.651 2.157 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.320 2.529 -2.404 1.00 0.00 H new ATOM 643 N SER A 35 -7.703 5.768 1.084 1.00 0.00 N ATOM 644 CA SER A 35 -8.143 5.507 2.446 1.00 0.00 C ATOM 645 C SER A 35 -9.660 5.576 2.542 1.00 0.00 C ATOM 646 O SER A 35 -10.305 4.665 3.064 1.00 0.00 O ATOM 647 CB SER A 35 -7.511 6.519 3.404 1.00 0.00 C ATOM 648 OG SER A 35 -8.119 7.792 3.274 1.00 0.00 O ATOM 0 H SER A 35 -7.096 6.582 0.987 1.00 0.00 H new ATOM 0 HA SER A 35 -7.824 4.503 2.726 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.614 6.166 4.430 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.443 6.600 3.200 1.00 0.00 H new ATOM 0 HG SER A 35 -8.154 8.043 2.327 1.00 0.00 H new ATOM 654 N SER A 36 -10.216 6.669 2.036 1.00 0.00 N ATOM 655 CA SER A 36 -11.659 6.882 2.057 1.00 0.00 C ATOM 656 C SER A 36 -12.383 5.926 1.111 1.00 0.00 C ATOM 657 O SER A 36 -13.420 5.359 1.459 1.00 0.00 O ATOM 658 CB SER A 36 -11.983 8.329 1.679 1.00 0.00 C ATOM 659 OG SER A 36 -12.024 9.160 2.826 1.00 0.00 O ATOM 0 H SER A 36 -9.687 7.426 1.604 1.00 0.00 H new ATOM 0 HA SER A 36 -12.008 6.682 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.233 8.703 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.943 8.367 1.164 1.00 0.00 H new ATOM 0 HG SER A 36 -12.231 10.079 2.557 1.00 0.00 H new ATOM 665 N GLU A 37 -11.839 5.764 -0.092 1.00 0.00 N ATOM 666 CA GLU A 37 -12.440 4.892 -1.097 1.00 0.00 C ATOM 667 C GLU A 37 -12.455 3.433 -0.646 1.00 0.00 C ATOM 668 O GLU A 37 -13.442 2.725 -0.850 1.00 0.00 O ATOM 669 CB GLU A 37 -11.690 5.020 -2.425 1.00 0.00 C ATOM 670 CG GLU A 37 -12.556 4.738 -3.643 1.00 0.00 C ATOM 671 CD GLU A 37 -12.347 5.750 -4.753 1.00 0.00 C ATOM 672 OE1 GLU A 37 -12.906 6.863 -4.653 1.00 0.00 O ATOM 673 OE2 GLU A 37 -11.626 5.430 -5.721 1.00 0.00 O ATOM 0 H GLU A 37 -10.982 6.226 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.474 5.210 -1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.281 6.027 -2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.845 4.332 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.333 3.740 -4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.605 4.740 -3.347 1.00 0.00 H new ATOM 680 N LEU A 38 -11.361 2.982 -0.040 1.00 0.00 N ATOM 681 CA LEU A 38 -11.265 1.602 0.426 1.00 0.00 C ATOM 682 C LEU A 38 -11.874 1.449 1.815 1.00 0.00 C ATOM 683 O LEU A 38 -12.803 0.666 2.014 1.00 0.00 O ATOM 684 CB LEU A 38 -9.805 1.142 0.445 1.00 0.00 C ATOM 685 CG LEU A 38 -9.345 0.402 -0.810 1.00 0.00 C ATOM 686 CD1 LEU A 38 -7.829 0.276 -0.831 1.00 0.00 C ATOM 687 CD2 LEU A 38 -9.999 -0.969 -0.883 1.00 0.00 C ATOM 0 H LEU A 38 -10.532 3.549 0.139 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.826 0.976 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.167 2.014 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.656 0.492 1.307 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.650 0.977 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.520 -0.254 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.381 1.270 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.498 -0.278 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.662 -1.485 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.722 -1.552 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.082 -0.854 -0.915 1.00 0.00 H new ATOM 699 N GLY A 39 -11.342 2.195 2.774 1.00 0.00 N ATOM 700 CA GLY A 39 -11.840 2.125 4.135 1.00 0.00 C ATOM 701 C GLY A 39 -10.746 1.793 5.128 1.00 0.00 C ATOM 702 O GLY A 39 -10.941 0.980 6.032 1.00 0.00 O ATOM 0 H GLY A 39 -10.572 2.849 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.295 3.079 4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.624 1.370 4.195 1.00 0.00 H new ATOM 706 N LEU A 40 -9.588 2.424 4.958 1.00 0.00 N ATOM 707 CA LEU A 40 -8.453 2.192 5.844 1.00 0.00 C ATOM 708 C LEU A 40 -7.737 3.500 6.158 1.00 0.00 C ATOM 709 O LEU A 40 -8.072 4.545 5.606 1.00 0.00 O ATOM 710 CB LEU A 40 -7.473 1.204 5.206 1.00 0.00 C ATOM 711 CG LEU A 40 -8.071 -0.156 4.836 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.721 -0.523 3.401 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.586 -1.233 5.796 1.00 0.00 C ATOM 0 H LEU A 40 -9.411 3.100 4.215 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.830 1.769 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.058 1.658 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.643 1.044 5.894 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.156 -0.086 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.155 -1.493 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.119 0.233 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.638 -0.573 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.022 -2.192 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.499 -1.300 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.889 -0.979 6.812 1.00 0.00 H new ATOM 725 N ASN A 41 -6.749 3.436 7.044 1.00 0.00 N ATOM 726 CA ASN A 41 -5.987 4.622 7.420 1.00 0.00 C ATOM 727 C ASN A 41 -4.881 4.903 6.406 1.00 0.00 C ATOM 728 O ASN A 41 -4.252 3.979 5.883 1.00 0.00 O ATOM 729 CB ASN A 41 -5.390 4.459 8.821 1.00 0.00 C ATOM 730 CG ASN A 41 -4.724 3.110 9.019 1.00 0.00 C ATOM 731 OD1 ASN A 41 -5.339 2.066 8.809 1.00 0.00 O ATOM 732 ND2 ASN A 41 -3.461 3.128 9.426 1.00 0.00 N ATOM 0 H ASN A 41 -6.458 2.579 7.514 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.671 5.471 7.428 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.660 5.249 8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.178 4.584 9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.961 2.252 9.577 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.990 4.018 9.588 1.00 0.00 H new ATOM 739 N GLU A 42 -4.646 6.182 6.130 1.00 0.00 N ATOM 740 CA GLU A 42 -3.616 6.587 5.178 1.00 0.00 C ATOM 741 C GLU A 42 -2.279 5.927 5.508 1.00 0.00 C ATOM 742 O GLU A 42 -1.526 5.546 4.612 1.00 0.00 O ATOM 743 CB GLU A 42 -3.460 8.109 5.178 1.00 0.00 C ATOM 744 CG GLU A 42 -4.769 8.855 4.967 1.00 0.00 C ATOM 745 CD GLU A 42 -5.082 9.817 6.096 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.330 10.799 6.264 1.00 0.00 O ATOM 747 OE2 GLU A 42 -6.079 9.587 6.812 1.00 0.00 O ATOM 0 H GLU A 42 -5.156 6.958 6.553 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.927 6.261 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.022 8.421 6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.758 8.394 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.721 9.406 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.582 8.135 4.873 1.00 0.00 H new ATOM 754 N ALA A 43 -1.996 5.793 6.799 1.00 0.00 N ATOM 755 CA ALA A 43 -0.756 5.175 7.250 1.00 0.00 C ATOM 756 C ALA A 43 -0.682 3.716 6.815 1.00 0.00 C ATOM 757 O ALA A 43 0.384 3.217 6.453 1.00 0.00 O ATOM 758 CB ALA A 43 -0.635 5.283 8.761 1.00 0.00 C ATOM 0 H ALA A 43 -2.610 6.105 7.552 1.00 0.00 H new ATOM 0 HA ALA A 43 0.077 5.707 6.790 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.296 4.818 9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.636 6.333 9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.478 4.776 9.231 1.00 0.00 H new ATOM 764 N GLN A 44 -1.824 3.038 6.849 1.00 0.00 N ATOM 765 CA GLN A 44 -1.887 1.636 6.456 1.00 0.00 C ATOM 766 C GLN A 44 -1.645 1.493 4.961 1.00 0.00 C ATOM 767 O GLN A 44 -0.913 0.605 4.522 1.00 0.00 O ATOM 768 CB GLN A 44 -3.246 1.036 6.827 1.00 0.00 C ATOM 769 CG GLN A 44 -3.188 0.081 8.008 1.00 0.00 C ATOM 770 CD GLN A 44 -2.999 -1.361 7.581 1.00 0.00 C ATOM 771 OE1 GLN A 44 -1.873 -1.835 7.436 1.00 0.00 O ATOM 772 NE2 GLN A 44 -4.106 -2.067 7.376 1.00 0.00 N ATOM 0 H GLN A 44 -2.716 3.435 7.144 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.107 1.094 6.992 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.940 1.844 7.058 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.649 0.508 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.369 0.372 8.666 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.108 0.168 8.586 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.020 -1.633 7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.042 -3.043 7.086 1.00 0.00 H new ATOM 781 N ILE A 45 -2.254 2.379 4.181 1.00 0.00 N ATOM 782 CA ILE A 45 -2.086 2.352 2.735 1.00 0.00 C ATOM 783 C ILE A 45 -0.650 2.695 2.362 1.00 0.00 C ATOM 784 O ILE A 45 -0.062 2.079 1.472 1.00 0.00 O ATOM 785 CB ILE A 45 -3.040 3.338 2.035 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.475 3.121 2.517 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.951 3.183 0.522 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.305 4.386 2.527 1.00 0.00 C ATOM 0 H ILE A 45 -2.865 3.120 4.524 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.324 1.343 2.400 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.740 4.354 2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.958 2.384 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.453 2.702 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.632 3.887 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.931 3.385 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.227 2.166 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.311 4.158 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.845 5.118 3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.358 4.794 1.518 1.00 0.00 H new ATOM 800 N LYS A 46 -0.089 3.681 3.056 1.00 0.00 N ATOM 801 CA LYS A 46 1.282 4.110 2.809 1.00 0.00 C ATOM 802 C LYS A 46 2.259 2.956 3.008 1.00 0.00 C ATOM 803 O LYS A 46 3.150 2.738 2.189 1.00 0.00 O ATOM 804 CB LYS A 46 1.650 5.266 3.740 1.00 0.00 C ATOM 805 CG LYS A 46 2.695 6.203 3.160 1.00 0.00 C ATOM 806 CD LYS A 46 3.282 7.112 4.228 1.00 0.00 C ATOM 807 CE LYS A 46 4.679 7.581 3.853 1.00 0.00 C ATOM 808 NZ LYS A 46 4.671 8.445 2.639 1.00 0.00 N ATOM 0 H LYS A 46 -0.565 4.198 3.795 1.00 0.00 H new ATOM 0 HA LYS A 46 1.350 4.446 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.750 5.836 3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.020 4.860 4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.492 5.620 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.246 6.808 2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.633 7.976 4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.318 6.581 5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.112 8.132 4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.317 6.715 3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.635 8.784 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.329 7.896 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.043 9.259 2.796 1.00 0.00 H new ATOM 822 N ILE A 47 2.085 2.220 4.102 1.00 0.00 N ATOM 823 CA ILE A 47 2.957 1.091 4.403 1.00 0.00 C ATOM 824 C ILE A 47 2.764 -0.038 3.394 1.00 0.00 C ATOM 825 O ILE A 47 3.727 -0.685 2.985 1.00 0.00 O ATOM 826 CB ILE A 47 2.713 0.550 5.828 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.942 1.655 6.861 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.622 -0.638 6.114 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.376 1.332 8.227 1.00 0.00 C ATOM 0 H ILE A 47 1.351 2.385 4.791 1.00 0.00 H new ATOM 0 HA ILE A 47 3.982 1.457 4.338 1.00 0.00 H new ATOM 0 HB ILE A 47 1.678 0.215 5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.012 1.838 6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.491 2.579 6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.435 -1.005 7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.419 -1.432 5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.664 -0.328 6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.575 2.159 8.908 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.300 1.178 8.148 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.845 0.426 8.610 1.00 0.00 H new ATOM 841 N TRP A 48 1.517 -0.273 2.997 1.00 0.00 N ATOM 842 CA TRP A 48 1.212 -1.329 2.038 1.00 0.00 C ATOM 843 C TRP A 48 1.915 -1.080 0.708 1.00 0.00 C ATOM 844 O TRP A 48 2.582 -1.965 0.173 1.00 0.00 O ATOM 845 CB TRP A 48 -0.298 -1.441 1.813 1.00 0.00 C ATOM 846 CG TRP A 48 -0.663 -2.526 0.846 1.00 0.00 C ATOM 847 CD1 TRP A 48 -1.008 -3.811 1.149 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.708 -2.423 -0.582 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.264 -4.515 -0.003 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.086 -3.685 -1.079 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.466 -1.387 -1.491 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.227 -3.938 -2.441 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.606 -1.639 -2.842 1.00 0.00 C ATOM 854 CH2 TRP A 48 -0.983 -2.906 -3.306 1.00 0.00 C ATOM 0 H TRP A 48 0.705 0.251 3.323 1.00 0.00 H new ATOM 0 HA TRP A 48 1.577 -2.268 2.455 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.790 -1.631 2.767 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.677 -0.488 1.443 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.071 -4.216 2.148 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.541 -5.495 -0.050 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.175 -0.407 -1.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.518 -4.913 -2.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.422 -0.846 -3.552 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.083 -3.072 -4.368 1.00 0.00 H new ATOM 865 N PHE A 49 1.761 0.128 0.175 1.00 0.00 N ATOM 866 CA PHE A 49 2.383 0.482 -1.094 1.00 0.00 C ATOM 867 C PHE A 49 3.903 0.446 -0.974 1.00 0.00 C ATOM 868 O PHE A 49 4.593 -0.068 -1.854 1.00 0.00 O ATOM 869 CB PHE A 49 1.921 1.869 -1.547 1.00 0.00 C ATOM 870 CG PHE A 49 0.859 1.831 -2.610 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.483 1.792 -2.266 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.203 1.834 -3.952 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.462 1.758 -3.241 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.229 1.799 -4.932 1.00 0.00 C ATOM 875 CZ PHE A 49 -1.106 1.762 -4.576 1.00 0.00 C ATOM 0 H PHE A 49 1.213 0.875 0.601 1.00 0.00 H new ATOM 0 HA PHE A 49 2.077 -0.250 -1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.541 2.416 -0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.780 2.424 -1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.767 1.788 -1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.245 1.864 -4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.504 1.728 -2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.511 1.801 -5.975 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.869 1.736 -5.340 1.00 0.00 H new ATOM 885 N GLN A 50 4.417 0.989 0.124 1.00 0.00 N ATOM 886 CA GLN A 50 5.854 1.012 0.362 1.00 0.00 C ATOM 887 C GLN A 50 6.404 -0.407 0.488 1.00 0.00 C ATOM 888 O GLN A 50 7.472 -0.718 -0.037 1.00 0.00 O ATOM 889 CB GLN A 50 6.172 1.811 1.628 1.00 0.00 C ATOM 890 CG GLN A 50 7.435 2.647 1.518 1.00 0.00 C ATOM 891 CD GLN A 50 8.191 2.738 2.829 1.00 0.00 C ATOM 892 OE1 GLN A 50 9.390 2.466 2.889 1.00 0.00 O ATOM 893 NE2 GLN A 50 7.491 3.121 3.890 1.00 0.00 N ATOM 0 H GLN A 50 3.860 1.419 0.862 1.00 0.00 H new ATOM 0 HA GLN A 50 6.332 1.495 -0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.331 2.466 1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.274 1.122 2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.086 2.217 0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.174 3.651 1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.499 3.337 3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.946 3.199 4.800 1.00 0.00 H new ATOM 902 N ASN A 51 5.664 -1.262 1.188 1.00 0.00 N ATOM 903 CA ASN A 51 6.077 -2.647 1.383 1.00 0.00 C ATOM 904 C ASN A 51 6.084 -3.403 0.059 1.00 0.00 C ATOM 905 O ASN A 51 6.966 -4.224 -0.196 1.00 0.00 O ATOM 906 CB ASN A 51 5.147 -3.346 2.379 1.00 0.00 C ATOM 907 CG ASN A 51 5.777 -3.498 3.750 1.00 0.00 C ATOM 908 OD1 ASN A 51 6.301 -4.560 4.090 1.00 0.00 O ATOM 909 ND2 ASN A 51 5.729 -2.435 4.544 1.00 0.00 N ATOM 0 H ASN A 51 4.777 -1.020 1.629 1.00 0.00 H new ATOM 0 HA ASN A 51 7.090 -2.644 1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.222 -2.777 2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.880 -4.330 1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.137 -2.477 5.478 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.285 -1.576 4.220 1.00 0.00 H new ATOM 916 N LYS A 52 5.094 -3.123 -0.783 1.00 0.00 N ATOM 917 CA LYS A 52 4.988 -3.777 -2.081 1.00 0.00 C ATOM 918 C LYS A 52 6.151 -3.375 -2.983 1.00 0.00 C ATOM 919 O LYS A 52 6.690 -4.201 -3.722 1.00 0.00 O ATOM 920 CB LYS A 52 3.656 -3.426 -2.747 1.00 0.00 C ATOM 921 CG LYS A 52 2.809 -4.640 -3.092 1.00 0.00 C ATOM 922 CD LYS A 52 2.581 -4.758 -4.591 1.00 0.00 C ATOM 923 CE LYS A 52 1.394 -5.655 -4.907 1.00 0.00 C ATOM 924 NZ LYS A 52 0.200 -4.873 -5.334 1.00 0.00 N ATOM 0 H LYS A 52 4.354 -2.448 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 52 5.029 -4.855 -1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.088 -2.774 -2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.853 -2.860 -3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.300 -5.542 -2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.848 -4.570 -2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.412 -3.767 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.477 -5.158 -5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.669 -6.356 -5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.143 -6.248 -4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.334 -5.415 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.407 -4.688 -4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.507 -3.969 -5.747 1.00 0.00 H new ATOM 938 N ARG A 53 6.533 -2.104 -2.916 1.00 0.00 N ATOM 939 CA ARG A 53 7.634 -1.595 -3.725 1.00 0.00 C ATOM 940 C ARG A 53 8.957 -2.211 -3.283 1.00 0.00 C ATOM 941 O ARG A 53 9.764 -2.635 -4.110 1.00 0.00 O ATOM 942 CB ARG A 53 7.706 -0.070 -3.624 1.00 0.00 C ATOM 943 CG ARG A 53 6.748 0.647 -4.560 1.00 0.00 C ATOM 944 CD ARG A 53 7.075 2.127 -4.667 1.00 0.00 C ATOM 945 NE ARG A 53 6.306 2.929 -3.714 1.00 0.00 N ATOM 946 CZ ARG A 53 6.848 3.679 -2.755 1.00 0.00 C ATOM 947 NH1 ARG A 53 8.166 3.735 -2.599 1.00 0.00 N ATOM 948 NH2 ARG A 53 6.065 4.379 -1.945 1.00 0.00 N ATOM 0 H ARG A 53 6.097 -1.408 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 53 7.452 -1.873 -4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.490 0.228 -2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.724 0.253 -3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.795 0.191 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.726 0.524 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.140 2.277 -4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.869 2.472 -5.680 1.00 0.00 H new ATOM 0 HE ARG A 53 5.289 2.913 -3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.776 3.200 -3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.568 4.313 -1.861 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.052 4.342 -2.057 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.476 4.954 -1.210 1.00 0.00 H new