USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=8 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= -0.695 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3.34! C(o=-3.3!,f=-6.4!) USER MOD Single : A 17 LYS NZ :NH3+ -107:sc= -1.51 (180deg=-2.26!) USER MOD Single : A 21 ASN : amide:sc= -0.041 K(o=-0.041,f=-1) USER MOD Single : A 23 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.082) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.286 USER MOD Single : A 32 GLN : amide:sc= -0.288 X(o=-0.29,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 35 SER OG : rot -49:sc= -1.02 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.2!) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.0103 (180deg=-0.183) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -4.2! C(o=-4.2!,f=-7.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.347 -6.459 3.565 1.00 0.00 N ATOM 176 CA SER A 9 -9.432 -7.236 2.979 1.00 0.00 C ATOM 177 C SER A 9 -9.145 -7.534 1.513 1.00 0.00 C ATOM 178 O SER A 9 -8.461 -6.766 0.839 1.00 0.00 O ATOM 179 CB SER A 9 -10.756 -6.481 3.107 1.00 0.00 C ATOM 180 OG SER A 9 -10.918 -5.552 2.049 1.00 0.00 O ATOM 0 HA SER A 9 -9.508 -8.179 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.584 -7.190 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.789 -5.958 4.063 1.00 0.00 H new ATOM 0 HG SER A 9 -11.772 -5.083 2.153 1.00 0.00 H new ATOM 186 N SER A 10 -9.674 -8.649 1.019 1.00 0.00 N ATOM 187 CA SER A 10 -9.471 -9.033 -0.373 1.00 0.00 C ATOM 188 C SER A 10 -9.869 -7.895 -1.305 1.00 0.00 C ATOM 189 O SER A 10 -9.215 -7.650 -2.318 1.00 0.00 O ATOM 190 CB SER A 10 -10.279 -10.286 -0.702 1.00 0.00 C ATOM 191 OG SER A 10 -10.389 -10.471 -2.103 1.00 0.00 O ATOM 0 H SER A 10 -10.244 -9.300 1.559 1.00 0.00 H new ATOM 0 HA SER A 10 -8.412 -9.249 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.802 -11.158 -0.254 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.274 -10.206 -0.264 1.00 0.00 H new ATOM 0 HG SER A 10 -10.910 -11.281 -2.286 1.00 0.00 H new ATOM 197 N GLU A 11 -10.941 -7.195 -0.945 1.00 0.00 N ATOM 198 CA GLU A 11 -11.417 -6.072 -1.740 1.00 0.00 C ATOM 199 C GLU A 11 -10.344 -4.994 -1.816 1.00 0.00 C ATOM 200 O GLU A 11 -10.023 -4.495 -2.896 1.00 0.00 O ATOM 201 CB GLU A 11 -12.705 -5.500 -1.141 1.00 0.00 C ATOM 202 CG GLU A 11 -13.891 -5.550 -2.090 1.00 0.00 C ATOM 203 CD GLU A 11 -14.040 -4.281 -2.906 1.00 0.00 C ATOM 204 OE1 GLU A 11 -13.101 -3.946 -3.659 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.095 -3.623 -2.794 1.00 0.00 O ATOM 0 H GLU A 11 -11.494 -7.386 -0.110 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.633 -6.424 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.952 -6.053 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.530 -4.466 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.777 -6.399 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.803 -5.718 -1.517 1.00 0.00 H new ATOM 212 N GLN A 12 -9.777 -4.652 -0.663 1.00 0.00 N ATOM 213 CA GLN A 12 -8.723 -3.650 -0.602 1.00 0.00 C ATOM 214 C GLN A 12 -7.466 -4.177 -1.282 1.00 0.00 C ATOM 215 O GLN A 12 -6.694 -3.418 -1.870 1.00 0.00 O ATOM 216 CB GLN A 12 -8.421 -3.280 0.851 1.00 0.00 C ATOM 217 CG GLN A 12 -9.656 -2.889 1.647 1.00 0.00 C ATOM 218 CD GLN A 12 -9.478 -3.091 3.138 1.00 0.00 C ATOM 219 OE1 GLN A 12 -8.548 -3.767 3.578 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.371 -2.504 3.925 1.00 0.00 N ATOM 0 H GLN A 12 -10.031 -5.054 0.239 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.060 -2.754 -1.124 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.936 -4.125 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.711 -2.453 0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.893 -1.843 1.452 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.506 -3.478 1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.126 -1.953 3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.302 -2.604 4.938 1.00 0.00 H new ATOM 229 N LEU A 13 -7.277 -5.490 -1.202 1.00 0.00 N ATOM 230 CA LEU A 13 -6.127 -6.144 -1.810 1.00 0.00 C ATOM 231 C LEU A 13 -6.159 -5.975 -3.325 1.00 0.00 C ATOM 232 O LEU A 13 -5.163 -5.590 -3.939 1.00 0.00 O ATOM 233 CB LEU A 13 -6.123 -7.633 -1.449 1.00 0.00 C ATOM 234 CG LEU A 13 -5.330 -8.012 -0.192 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.840 -8.007 -0.481 1.00 0.00 C ATOM 236 CD2 LEU A 13 -5.654 -7.076 0.965 1.00 0.00 C ATOM 0 H LEU A 13 -7.912 -6.125 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.218 -5.681 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.155 -7.958 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.718 -8.191 -2.293 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.624 -9.020 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.293 -8.278 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.620 -8.728 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.535 -7.012 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.077 -7.369 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.399 -6.053 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.718 -7.135 1.194 1.00 0.00 H new ATOM 248 N ALA A 14 -7.312 -6.262 -3.921 1.00 0.00 N ATOM 249 CA ALA A 14 -7.482 -6.138 -5.363 1.00 0.00 C ATOM 250 C ALA A 14 -7.323 -4.690 -5.809 1.00 0.00 C ATOM 251 O ALA A 14 -6.590 -4.398 -6.755 1.00 0.00 O ATOM 252 CB ALA A 14 -8.842 -6.675 -5.782 1.00 0.00 C ATOM 0 H ALA A 14 -8.144 -6.583 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.706 -6.729 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.955 -6.576 -6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.920 -7.726 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.627 -6.108 -5.281 1.00 0.00 H new ATOM 258 N ARG A 15 -8.010 -3.787 -5.118 1.00 0.00 N ATOM 259 CA ARG A 15 -7.943 -2.367 -5.443 1.00 0.00 C ATOM 260 C ARG A 15 -6.522 -1.842 -5.263 1.00 0.00 C ATOM 261 O ARG A 15 -6.016 -1.090 -6.097 1.00 0.00 O ATOM 262 CB ARG A 15 -8.913 -1.573 -4.562 1.00 0.00 C ATOM 263 CG ARG A 15 -9.904 -0.734 -5.354 1.00 0.00 C ATOM 264 CD ARG A 15 -11.207 -1.482 -5.585 1.00 0.00 C ATOM 265 NE ARG A 15 -11.936 -1.713 -4.341 1.00 0.00 N ATOM 266 CZ ARG A 15 -12.779 -0.835 -3.797 1.00 0.00 C ATOM 267 NH1 ARG A 15 -13.000 0.337 -4.381 1.00 0.00 N ATOM 268 NH2 ARG A 15 -13.402 -1.131 -2.665 1.00 0.00 N ATOM 0 H ARG A 15 -8.618 -4.012 -4.331 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.231 -2.240 -6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.463 -2.266 -3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.341 -0.920 -3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.106 0.194 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.465 -0.460 -6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.834 -0.913 -6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.996 -2.438 -6.064 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.791 -2.600 -3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.523 0.571 -5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.646 1.003 -3.959 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.236 -2.029 -2.211 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.047 -0.460 -2.248 1.00 0.00 H new ATOM 282 N LEU A 16 -5.881 -2.250 -4.172 1.00 0.00 N ATOM 283 CA LEU A 16 -4.518 -1.827 -3.883 1.00 0.00 C ATOM 284 C LEU A 16 -3.557 -2.338 -4.953 1.00 0.00 C ATOM 285 O LEU A 16 -2.732 -1.586 -5.470 1.00 0.00 O ATOM 286 CB LEU A 16 -4.086 -2.331 -2.505 1.00 0.00 C ATOM 287 CG LEU A 16 -4.534 -1.463 -1.328 1.00 0.00 C ATOM 288 CD1 LEU A 16 -4.483 -2.255 -0.031 1.00 0.00 C ATOM 289 CD2 LEU A 16 -3.668 -0.216 -1.228 1.00 0.00 C ATOM 0 H LEU A 16 -6.286 -2.874 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.491 -0.737 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.478 -3.338 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.999 -2.407 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.565 -1.154 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.805 -1.621 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.144 -3.118 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.463 -2.594 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.000 0.391 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.628 -0.506 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.755 0.362 -2.148 1.00 0.00 H new ATOM 301 N LYS A 17 -3.675 -3.621 -5.283 1.00 0.00 N ATOM 302 CA LYS A 17 -2.819 -4.228 -6.297 1.00 0.00 C ATOM 303 C LYS A 17 -3.011 -3.536 -7.643 1.00 0.00 C ATOM 304 O LYS A 17 -2.049 -3.312 -8.379 1.00 0.00 O ATOM 305 CB LYS A 17 -3.122 -5.723 -6.426 1.00 0.00 C ATOM 306 CG LYS A 17 -1.885 -6.603 -6.344 1.00 0.00 C ATOM 307 CD LYS A 17 -2.237 -8.078 -6.482 1.00 0.00 C ATOM 308 CE LYS A 17 -1.795 -8.875 -5.264 1.00 0.00 C ATOM 309 NZ LYS A 17 -0.320 -8.816 -5.068 1.00 0.00 N ATOM 0 H LYS A 17 -4.353 -4.258 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.781 -4.106 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.817 -6.014 -5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.624 -5.903 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.184 -6.321 -7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.381 -6.436 -5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.313 -8.185 -6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.762 -8.484 -7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.295 -8.488 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.105 -9.914 -5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.101 -9.731 -5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.081 -8.068 -5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.110 -8.607 -4.071 1.00 0.00 H new ATOM 323 N ARG A 18 -4.258 -3.195 -7.955 1.00 0.00 N ATOM 324 CA ARG A 18 -4.574 -2.524 -9.208 1.00 0.00 C ATOM 325 C ARG A 18 -3.855 -1.182 -9.288 1.00 0.00 C ATOM 326 O ARG A 18 -3.264 -0.841 -10.312 1.00 0.00 O ATOM 327 CB ARG A 18 -6.085 -2.321 -9.338 1.00 0.00 C ATOM 328 CG ARG A 18 -6.629 -2.665 -10.715 1.00 0.00 C ATOM 329 CD ARG A 18 -6.925 -4.151 -10.842 1.00 0.00 C ATOM 330 NE ARG A 18 -7.774 -4.444 -11.995 1.00 0.00 N ATOM 331 CZ ARG A 18 -8.530 -5.535 -12.104 1.00 0.00 C ATOM 332 NH1 ARG A 18 -8.543 -6.442 -11.135 1.00 0.00 N ATOM 333 NH2 ARG A 18 -9.273 -5.719 -13.186 1.00 0.00 N ATOM 0 H ARG A 18 -5.065 -3.373 -7.356 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.234 -3.152 -10.031 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.591 -2.935 -8.593 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.324 -1.282 -9.111 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.539 -2.095 -10.901 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.907 -2.370 -11.477 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.988 -4.701 -10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.414 -4.502 -9.933 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.788 -3.772 -12.763 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.972 -6.305 -10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.124 -7.275 -11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.265 -5.025 -13.934 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.852 -6.554 -13.271 1.00 0.00 H new ATOM 347 N GLU A 19 -3.907 -0.427 -8.194 1.00 0.00 N ATOM 348 CA GLU A 19 -3.254 0.875 -8.134 1.00 0.00 C ATOM 349 C GLU A 19 -1.739 0.718 -8.208 1.00 0.00 C ATOM 350 O GLU A 19 -1.049 1.522 -8.835 1.00 0.00 O ATOM 351 CB GLU A 19 -3.640 1.605 -6.847 1.00 0.00 C ATOM 352 CG GLU A 19 -4.941 2.383 -6.953 1.00 0.00 C ATOM 353 CD GLU A 19 -4.717 3.873 -7.118 1.00 0.00 C ATOM 354 OE1 GLU A 19 -3.728 4.255 -7.780 1.00 0.00 O ATOM 355 OE2 GLU A 19 -5.530 4.659 -6.587 1.00 0.00 O ATOM 0 H GLU A 19 -4.394 -0.695 -7.339 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.587 1.464 -8.988 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.726 0.878 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.838 2.291 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.515 2.010 -7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.540 2.206 -6.060 1.00 0.00 H new ATOM 362 N PHE A 20 -1.229 -0.327 -7.563 1.00 0.00 N ATOM 363 CA PHE A 20 0.203 -0.600 -7.552 1.00 0.00 C ATOM 364 C PHE A 20 0.704 -0.940 -8.953 1.00 0.00 C ATOM 365 O PHE A 20 1.804 -0.548 -9.342 1.00 0.00 O ATOM 366 CB PHE A 20 0.514 -1.750 -6.592 1.00 0.00 C ATOM 367 CG PHE A 20 1.976 -2.084 -6.503 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.559 -2.949 -7.415 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.766 -1.534 -5.507 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.904 -3.259 -7.334 1.00 0.00 C ATOM 371 CE2 PHE A 20 4.111 -1.839 -5.421 1.00 0.00 C ATOM 372 CZ PHE A 20 4.681 -2.704 -6.337 1.00 0.00 C ATOM 0 H PHE A 20 -1.789 -1.000 -7.040 1.00 0.00 H new ATOM 0 HA PHE A 20 0.718 0.299 -7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.148 -1.491 -5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.033 -2.637 -6.912 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.956 -3.386 -8.198 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.325 -0.858 -4.789 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.347 -3.935 -8.050 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.716 -1.403 -4.640 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.732 -2.945 -6.273 1.00 0.00 H new ATOM 382 N ASN A 21 -0.111 -1.676 -9.703 1.00 0.00 N ATOM 383 CA ASN A 21 0.249 -2.073 -11.060 1.00 0.00 C ATOM 384 C ASN A 21 0.322 -0.861 -11.985 1.00 0.00 C ATOM 385 O ASN A 21 1.130 -0.824 -12.913 1.00 0.00 O ATOM 386 CB ASN A 21 -0.763 -3.084 -11.601 1.00 0.00 C ATOM 387 CG ASN A 21 -0.699 -4.412 -10.871 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.343 -4.789 -10.335 1.00 0.00 O ATOM 389 ND2 ASN A 21 -1.817 -5.128 -10.847 1.00 0.00 N ATOM 0 H ASN A 21 -1.024 -2.009 -9.394 1.00 0.00 H new ATOM 0 HA ASN A 21 1.235 -2.537 -11.026 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.768 -2.671 -11.512 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.578 -3.247 -12.663 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.835 -6.030 -10.371 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.658 -4.776 -11.305 1.00 0.00 H new ATOM 396 N GLU A 22 -0.525 0.129 -11.724 1.00 0.00 N ATOM 397 CA GLU A 22 -0.555 1.343 -12.532 1.00 0.00 C ATOM 398 C GLU A 22 0.521 2.321 -12.071 1.00 0.00 C ATOM 399 O GLU A 22 1.123 3.029 -12.878 1.00 0.00 O ATOM 400 CB GLU A 22 -1.932 2.003 -12.448 1.00 0.00 C ATOM 401 CG GLU A 22 -3.067 1.100 -12.903 1.00 0.00 C ATOM 402 CD GLU A 22 -4.427 1.753 -12.756 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.944 1.799 -11.620 1.00 0.00 O ATOM 404 OE2 GLU A 22 -4.975 2.219 -13.776 1.00 0.00 O ATOM 0 H GLU A 22 -1.200 0.115 -10.959 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.357 1.070 -13.568 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.115 2.313 -11.419 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.931 2.907 -13.058 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.911 0.825 -13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.047 0.177 -12.323 1.00 0.00 H new ATOM 411 N ASN A 23 0.756 2.347 -10.765 1.00 0.00 N ATOM 412 CA ASN A 23 1.760 3.226 -10.178 1.00 0.00 C ATOM 413 C ASN A 23 2.222 2.677 -8.834 1.00 0.00 C ATOM 414 O ASN A 23 1.424 2.526 -7.911 1.00 0.00 O ATOM 415 CB ASN A 23 1.197 4.639 -10.006 1.00 0.00 C ATOM 416 CG ASN A 23 2.213 5.712 -10.347 1.00 0.00 C ATOM 417 OD1 ASN A 23 2.705 5.782 -11.472 1.00 0.00 O ATOM 418 ND2 ASN A 23 2.531 6.557 -9.373 1.00 0.00 N ATOM 0 H ASN A 23 0.262 1.766 -10.088 1.00 0.00 H new ATOM 0 HA ASN A 23 2.616 3.272 -10.851 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.320 4.758 -10.642 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.864 4.772 -8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.208 7.301 -9.544 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.098 6.462 -8.454 1.00 0.00 H new ATOM 425 N ARG A 24 3.510 2.365 -8.735 1.00 0.00 N ATOM 426 CA ARG A 24 4.079 1.815 -7.507 1.00 0.00 C ATOM 427 C ARG A 24 4.205 2.868 -6.405 1.00 0.00 C ATOM 428 O ARG A 24 4.643 2.561 -5.296 1.00 0.00 O ATOM 429 CB ARG A 24 5.447 1.197 -7.795 1.00 0.00 C ATOM 430 CG ARG A 24 5.375 -0.046 -8.666 1.00 0.00 C ATOM 431 CD ARG A 24 6.758 -0.610 -8.951 1.00 0.00 C ATOM 432 NE ARG A 24 6.694 -1.985 -9.439 1.00 0.00 N ATOM 433 CZ ARG A 24 6.228 -2.325 -10.638 1.00 0.00 C ATOM 434 NH1 ARG A 24 5.805 -1.393 -11.482 1.00 0.00 N ATOM 435 NH2 ARG A 24 6.188 -3.601 -10.997 1.00 0.00 N ATOM 0 H ARG A 24 4.183 2.484 -9.493 1.00 0.00 H new ATOM 0 HA ARG A 24 3.395 1.046 -7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.077 1.939 -8.285 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.929 0.943 -6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.767 -0.803 -8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.879 0.196 -9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.260 0.015 -9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.359 -0.575 -8.042 1.00 0.00 H new ATOM 0 HE ARG A 24 7.026 -2.728 -8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.836 -0.410 -11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.449 -1.660 -12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.515 -4.322 -10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.831 -3.861 -11.916 1.00 0.00 H new ATOM 449 N TYR A 25 3.825 4.108 -6.705 1.00 0.00 N ATOM 450 CA TYR A 25 3.906 5.185 -5.726 1.00 0.00 C ATOM 451 C TYR A 25 2.513 5.598 -5.264 1.00 0.00 C ATOM 452 O TYR A 25 1.512 5.030 -5.703 1.00 0.00 O ATOM 453 CB TYR A 25 4.640 6.389 -6.320 1.00 0.00 C ATOM 454 CG TYR A 25 6.139 6.205 -6.409 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.687 5.080 -7.013 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.007 7.159 -5.889 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.056 4.910 -7.097 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.377 6.996 -5.970 1.00 0.00 C ATOM 459 CZ TYR A 25 8.897 5.871 -6.575 1.00 0.00 C ATOM 460 OH TYR A 25 10.260 5.707 -6.657 1.00 0.00 O ATOM 0 H TYR A 25 3.460 4.389 -7.615 1.00 0.00 H new ATOM 0 HA TYR A 25 4.464 4.821 -4.863 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.247 6.587 -7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.426 7.269 -5.713 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.032 4.326 -7.424 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.604 8.041 -5.414 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.465 4.029 -7.569 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.038 7.746 -5.561 1.00 0.00 H new ATOM 0 HH TYR A 25 10.707 6.474 -6.243 1.00 0.00 H new ATOM 470 N LEU A 26 2.453 6.584 -4.376 1.00 0.00 N ATOM 471 CA LEU A 26 1.176 7.062 -3.858 1.00 0.00 C ATOM 472 C LEU A 26 1.218 8.558 -3.579 1.00 0.00 C ATOM 473 O LEU A 26 2.106 9.045 -2.879 1.00 0.00 O ATOM 474 CB LEU A 26 0.810 6.320 -2.567 1.00 0.00 C ATOM 475 CG LEU A 26 -0.165 5.145 -2.707 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.824 4.861 -1.369 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.232 5.420 -3.754 1.00 0.00 C ATOM 0 H LEU A 26 3.270 7.066 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 26 0.421 6.868 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.729 5.949 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.380 7.039 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 26 0.407 4.276 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.516 4.025 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.060 4.609 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.370 5.744 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.903 4.564 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.801 6.305 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.758 5.589 -4.721 1.00 0.00 H new ATOM 489 N THR A 27 0.237 9.278 -4.106 1.00 0.00 N ATOM 490 CA THR A 27 0.146 10.714 -3.889 1.00 0.00 C ATOM 491 C THR A 27 -0.755 10.998 -2.694 1.00 0.00 C ATOM 492 O THR A 27 -1.501 10.125 -2.251 1.00 0.00 O ATOM 493 CB THR A 27 -0.406 11.418 -5.130 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.818 11.303 -5.184 1.00 0.00 O ATOM 495 CG2 THR A 27 0.150 10.875 -6.429 1.00 0.00 C ATOM 0 H THR A 27 -0.507 8.891 -4.687 1.00 0.00 H new ATOM 0 HA THR A 27 1.147 11.097 -3.691 1.00 0.00 H new ATOM 0 HB THR A 27 -0.096 12.458 -5.032 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.153 11.760 -5.983 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.285 11.420 -7.267 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.233 10.996 -6.440 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.098 9.817 -6.517 1.00 0.00 H new ATOM 503 N GLU A 28 -0.695 12.218 -2.180 1.00 0.00 N ATOM 504 CA GLU A 28 -1.523 12.599 -1.043 1.00 0.00 C ATOM 505 C GLU A 28 -2.996 12.351 -1.355 1.00 0.00 C ATOM 506 O GLU A 28 -3.731 11.786 -0.545 1.00 0.00 O ATOM 507 CB GLU A 28 -1.301 14.072 -0.698 1.00 0.00 C ATOM 508 CG GLU A 28 -1.739 14.442 0.710 1.00 0.00 C ATOM 509 CD GLU A 28 -0.656 15.164 1.487 1.00 0.00 C ATOM 510 OE1 GLU A 28 0.240 15.754 0.848 1.00 0.00 O ATOM 511 OE2 GLU A 28 -0.704 15.139 2.735 1.00 0.00 O ATOM 0 H GLU A 28 -0.086 12.958 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.238 11.990 -0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.243 14.308 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.845 14.690 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.625 15.074 0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.025 13.538 1.247 1.00 0.00 H new ATOM 518 N ARG A 29 -3.410 12.778 -2.542 1.00 0.00 N ATOM 519 CA ARG A 29 -4.788 12.610 -2.987 1.00 0.00 C ATOM 520 C ARG A 29 -5.162 11.134 -3.093 1.00 0.00 C ATOM 521 O ARG A 29 -6.277 10.744 -2.746 1.00 0.00 O ATOM 522 CB ARG A 29 -4.997 13.301 -4.337 1.00 0.00 C ATOM 523 CG ARG A 29 -4.885 14.817 -4.268 1.00 0.00 C ATOM 524 CD ARG A 29 -3.453 15.280 -4.485 1.00 0.00 C ATOM 525 NE ARG A 29 -3.302 16.720 -4.295 1.00 0.00 N ATOM 526 CZ ARG A 29 -2.130 17.317 -4.084 1.00 0.00 C ATOM 527 NH1 ARG A 29 -1.012 16.603 -4.041 1.00 0.00 N ATOM 528 NH2 ARG A 29 -2.076 18.632 -3.916 1.00 0.00 N ATOM 0 H ARG A 29 -2.806 13.246 -3.218 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.437 13.071 -2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.262 12.922 -5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.981 13.035 -4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.532 15.265 -5.022 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.238 15.165 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.795 14.753 -3.794 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.136 15.013 -5.493 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.140 17.301 -4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.047 15.592 -4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.117 17.066 -3.879 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.932 19.186 -3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.179 19.089 -3.754 1.00 0.00 H new ATOM 542 N ARG A 30 -4.231 10.313 -3.580 1.00 0.00 N ATOM 543 CA ARG A 30 -4.481 8.886 -3.732 1.00 0.00 C ATOM 544 C ARG A 30 -4.568 8.207 -2.372 1.00 0.00 C ATOM 545 O ARG A 30 -5.406 7.331 -2.157 1.00 0.00 O ATOM 546 CB ARG A 30 -3.384 8.238 -4.579 1.00 0.00 C ATOM 547 CG ARG A 30 -3.593 8.409 -6.077 1.00 0.00 C ATOM 548 CD ARG A 30 -3.456 7.089 -6.819 1.00 0.00 C ATOM 549 NE ARG A 30 -2.150 6.955 -7.460 1.00 0.00 N ATOM 550 CZ ARG A 30 -1.724 7.738 -8.450 1.00 0.00 C ATOM 551 NH1 ARG A 30 -2.497 8.712 -8.914 1.00 0.00 N ATOM 552 NH2 ARG A 30 -0.524 7.545 -8.978 1.00 0.00 N ATOM 0 H ARG A 30 -3.302 10.613 -3.874 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.436 8.760 -4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.421 8.668 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.337 7.174 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.582 8.829 -6.261 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.867 9.122 -6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.604 6.264 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.239 7.014 -7.573 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.527 6.218 -7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.422 8.864 -8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.166 9.309 -9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.074 6.797 -8.626 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.198 8.145 -9.736 1.00 0.00 H new ATOM 566 N ARG A 31 -3.703 8.621 -1.454 1.00 0.00 N ATOM 567 CA ARG A 31 -3.692 8.056 -0.112 1.00 0.00 C ATOM 568 C ARG A 31 -5.012 8.343 0.595 1.00 0.00 C ATOM 569 O ARG A 31 -5.613 7.456 1.203 1.00 0.00 O ATOM 570 CB ARG A 31 -2.531 8.636 0.699 1.00 0.00 C ATOM 571 CG ARG A 31 -1.312 7.732 0.750 1.00 0.00 C ATOM 572 CD ARG A 31 -0.146 8.401 1.461 1.00 0.00 C ATOM 573 NE ARG A 31 0.255 9.647 0.807 1.00 0.00 N ATOM 574 CZ ARG A 31 1.521 9.997 0.574 1.00 0.00 C ATOM 575 NH1 ARG A 31 2.521 9.207 0.945 1.00 0.00 N ATOM 576 NH2 ARG A 31 1.785 11.148 -0.029 1.00 0.00 N ATOM 0 H ARG A 31 -3.002 9.344 -1.615 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.562 6.977 -0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.243 9.596 0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.871 8.831 1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.568 6.805 1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.015 7.464 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.423 8.607 2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.702 7.717 1.488 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.480 10.289 0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.325 8.322 1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.485 9.485 0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.022 11.762 -0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.752 11.419 -0.209 1.00 0.00 H new ATOM 590 N GLN A 32 -5.454 9.594 0.510 1.00 0.00 N ATOM 591 CA GLN A 32 -6.702 10.015 1.136 1.00 0.00 C ATOM 592 C GLN A 32 -7.901 9.354 0.463 1.00 0.00 C ATOM 593 O GLN A 32 -8.859 8.956 1.128 1.00 0.00 O ATOM 594 CB GLN A 32 -6.836 11.538 1.068 1.00 0.00 C ATOM 595 CG GLN A 32 -7.842 12.107 2.055 1.00 0.00 C ATOM 596 CD GLN A 32 -8.918 12.935 1.381 1.00 0.00 C ATOM 597 OE1 GLN A 32 -9.090 14.116 1.682 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.650 12.317 0.460 1.00 0.00 N ATOM 0 H GLN A 32 -4.964 10.336 0.011 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.682 9.703 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.861 11.988 1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.130 11.823 0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.309 11.289 2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.319 12.724 2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.473 11.336 0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.389 12.823 -0.029 1.00 0.00 H new ATOM 607 N GLN A 33 -7.841 9.237 -0.860 1.00 0.00 N ATOM 608 CA GLN A 33 -8.922 8.622 -1.619 1.00 0.00 C ATOM 609 C GLN A 33 -9.026 7.137 -1.292 1.00 0.00 C ATOM 610 O GLN A 33 -10.106 6.634 -0.979 1.00 0.00 O ATOM 611 CB GLN A 33 -8.696 8.813 -3.122 1.00 0.00 C ATOM 612 CG GLN A 33 -9.556 9.907 -3.732 1.00 0.00 C ATOM 613 CD GLN A 33 -9.727 9.748 -5.230 1.00 0.00 C ATOM 614 OE1 GLN A 33 -10.784 9.336 -5.707 1.00 0.00 O ATOM 615 NE2 GLN A 33 -8.682 10.075 -5.983 1.00 0.00 N ATOM 0 H GLN A 33 -7.057 9.560 -1.427 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.856 9.109 -1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.646 9.048 -3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.901 7.873 -3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.536 9.901 -3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.106 10.877 -3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.824 10.413 -5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.738 9.988 -6.998 1.00 0.00 H new ATOM 624 N LEU A 34 -7.895 6.443 -1.357 1.00 0.00 N ATOM 625 CA LEU A 34 -7.859 5.019 -1.055 1.00 0.00 C ATOM 626 C LEU A 34 -8.271 4.771 0.391 1.00 0.00 C ATOM 627 O LEU A 34 -8.916 3.771 0.702 1.00 0.00 O ATOM 628 CB LEU A 34 -6.457 4.457 -1.302 1.00 0.00 C ATOM 629 CG LEU A 34 -6.134 4.141 -2.765 1.00 0.00 C ATOM 630 CD1 LEU A 34 -4.740 4.635 -3.127 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.256 2.646 -3.028 1.00 0.00 C ATOM 0 H LEU A 34 -6.993 6.843 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.564 4.511 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.724 5.173 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.338 3.546 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.855 4.662 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.530 4.400 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.687 5.714 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.004 4.145 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.023 2.440 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.559 2.106 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.274 2.320 -2.812 1.00 0.00 H new ATOM 643 N SER A 35 -7.898 5.694 1.271 1.00 0.00 N ATOM 644 CA SER A 35 -8.231 5.586 2.683 1.00 0.00 C ATOM 645 C SER A 35 -9.740 5.572 2.877 1.00 0.00 C ATOM 646 O SER A 35 -10.284 4.699 3.553 1.00 0.00 O ATOM 647 CB SER A 35 -7.614 6.748 3.467 1.00 0.00 C ATOM 648 OG SER A 35 -6.485 6.320 4.208 1.00 0.00 O ATOM 0 H SER A 35 -7.363 6.528 1.028 1.00 0.00 H new ATOM 0 HA SER A 35 -7.821 4.649 3.060 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.322 7.541 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.358 7.171 4.143 1.00 0.00 H new ATOM 0 HG SER A 35 -6.713 5.512 4.714 1.00 0.00 H new ATOM 654 N SER A 36 -10.408 6.552 2.281 1.00 0.00 N ATOM 655 CA SER A 36 -11.859 6.669 2.383 1.00 0.00 C ATOM 656 C SER A 36 -12.568 5.551 1.617 1.00 0.00 C ATOM 657 O SER A 36 -13.503 4.933 2.126 1.00 0.00 O ATOM 658 CB SER A 36 -12.318 8.032 1.858 1.00 0.00 C ATOM 659 OG SER A 36 -13.065 8.730 2.839 1.00 0.00 O ATOM 0 H SER A 36 -9.967 7.280 1.720 1.00 0.00 H new ATOM 0 HA SER A 36 -12.125 6.578 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.450 8.624 1.567 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.925 7.895 0.963 1.00 0.00 H new ATOM 0 HG SER A 36 -13.345 9.598 2.480 1.00 0.00 H new ATOM 665 N GLU A 37 -12.127 5.312 0.387 1.00 0.00 N ATOM 666 CA GLU A 37 -12.728 4.286 -0.462 1.00 0.00 C ATOM 667 C GLU A 37 -12.537 2.882 0.110 1.00 0.00 C ATOM 668 O GLU A 37 -13.454 2.062 0.077 1.00 0.00 O ATOM 669 CB GLU A 37 -12.133 4.353 -1.871 1.00 0.00 C ATOM 670 CG GLU A 37 -12.496 5.622 -2.625 1.00 0.00 C ATOM 671 CD GLU A 37 -11.381 6.098 -3.535 1.00 0.00 C ATOM 672 OE1 GLU A 37 -10.570 5.254 -3.972 1.00 0.00 O ATOM 673 OE2 GLU A 37 -11.319 7.314 -3.811 1.00 0.00 O ATOM 0 H GLU A 37 -11.353 5.816 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.799 4.486 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.048 4.279 -1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.475 3.490 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.393 5.444 -3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.737 6.409 -1.910 1.00 0.00 H new ATOM 680 N LEU A 38 -11.343 2.603 0.622 1.00 0.00 N ATOM 681 CA LEU A 38 -11.042 1.288 1.182 1.00 0.00 C ATOM 682 C LEU A 38 -11.478 1.191 2.640 1.00 0.00 C ATOM 683 O LEU A 38 -11.808 0.110 3.128 1.00 0.00 O ATOM 684 CB LEU A 38 -9.544 0.994 1.073 1.00 0.00 C ATOM 685 CG LEU A 38 -8.994 0.942 -0.354 1.00 0.00 C ATOM 686 CD1 LEU A 38 -7.476 0.824 -0.337 1.00 0.00 C ATOM 687 CD2 LEU A 38 -9.616 -0.217 -1.119 1.00 0.00 C ATOM 0 H LEU A 38 -10.569 3.267 0.661 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.600 0.549 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.999 1.757 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.341 0.040 1.559 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.258 1.870 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.102 0.788 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.050 1.687 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.188 -0.088 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.215 -0.241 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.382 -1.154 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.697 -0.087 -1.160 1.00 0.00 H new ATOM 699 N GLY A 39 -11.468 2.322 3.334 1.00 0.00 N ATOM 700 CA GLY A 39 -11.856 2.337 4.731 1.00 0.00 C ATOM 701 C GLY A 39 -10.679 2.093 5.655 1.00 0.00 C ATOM 702 O GLY A 39 -10.842 1.546 6.746 1.00 0.00 O ATOM 0 H GLY A 39 -11.198 3.229 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.310 3.299 4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.615 1.574 4.904 1.00 0.00 H new ATOM 706 N LEU A 40 -9.492 2.498 5.216 1.00 0.00 N ATOM 707 CA LEU A 40 -8.281 2.320 6.010 1.00 0.00 C ATOM 708 C LEU A 40 -7.585 3.656 6.248 1.00 0.00 C ATOM 709 O LEU A 40 -7.968 4.678 5.680 1.00 0.00 O ATOM 710 CB LEU A 40 -7.321 1.351 5.314 1.00 0.00 C ATOM 711 CG LEU A 40 -7.933 0.005 4.916 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.526 -0.369 3.498 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.514 -1.083 5.895 1.00 0.00 C ATOM 0 H LEU A 40 -9.342 2.952 4.315 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.571 1.902 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.928 1.833 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.474 1.166 5.974 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.018 0.099 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.970 -1.328 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.875 0.397 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.440 -0.443 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.958 -2.032 5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.428 -1.175 5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.855 -0.822 6.897 1.00 0.00 H new ATOM 725 N ASN A 41 -6.560 3.639 7.094 1.00 0.00 N ATOM 726 CA ASN A 41 -5.808 4.847 7.412 1.00 0.00 C ATOM 727 C ASN A 41 -4.749 5.133 6.351 1.00 0.00 C ATOM 728 O ASN A 41 -4.133 4.212 5.809 1.00 0.00 O ATOM 729 CB ASN A 41 -5.150 4.711 8.786 1.00 0.00 C ATOM 730 CG ASN A 41 -5.928 5.427 9.874 1.00 0.00 C ATOM 731 OD1 ASN A 41 -7.143 5.268 9.990 1.00 0.00 O ATOM 732 ND2 ASN A 41 -5.229 6.220 10.676 1.00 0.00 N ATOM 0 H ASN A 41 -6.231 2.800 7.572 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.506 5.684 7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.063 3.655 9.041 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.138 5.113 8.742 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.698 6.728 11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.223 6.321 10.543 1.00 0.00 H new ATOM 739 N GLU A 42 -4.537 6.416 6.066 1.00 0.00 N ATOM 740 CA GLU A 42 -3.546 6.829 5.075 1.00 0.00 C ATOM 741 C GLU A 42 -2.197 6.174 5.353 1.00 0.00 C ATOM 742 O GLU A 42 -1.498 5.751 4.432 1.00 0.00 O ATOM 743 CB GLU A 42 -3.399 8.352 5.080 1.00 0.00 C ATOM 744 CG GLU A 42 -4.270 9.049 4.048 1.00 0.00 C ATOM 745 CD GLU A 42 -3.777 10.443 3.713 1.00 0.00 C ATOM 746 OE1 GLU A 42 -2.655 10.563 3.177 1.00 0.00 O ATOM 747 OE2 GLU A 42 -4.512 11.415 3.987 1.00 0.00 O ATOM 0 H GLU A 42 -5.038 7.187 6.507 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.890 6.507 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.651 8.730 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.356 8.609 4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.299 8.450 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.292 9.109 4.422 1.00 0.00 H new ATOM 754 N ALA A 43 -1.842 6.087 6.630 1.00 0.00 N ATOM 755 CA ALA A 43 -0.582 5.477 7.036 1.00 0.00 C ATOM 756 C ALA A 43 -0.554 3.993 6.687 1.00 0.00 C ATOM 757 O ALA A 43 0.497 3.441 6.361 1.00 0.00 O ATOM 758 CB ALA A 43 -0.357 5.674 8.527 1.00 0.00 C ATOM 0 H ALA A 43 -2.411 6.432 7.403 1.00 0.00 H new ATOM 0 HA ALA A 43 0.224 5.968 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.588 5.213 8.816 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.325 6.740 8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.172 5.210 9.082 1.00 0.00 H new ATOM 764 N GLN A 44 -1.717 3.352 6.758 1.00 0.00 N ATOM 765 CA GLN A 44 -1.823 1.930 6.453 1.00 0.00 C ATOM 766 C GLN A 44 -1.590 1.680 4.968 1.00 0.00 C ATOM 767 O GLN A 44 -0.830 0.788 4.592 1.00 0.00 O ATOM 768 CB GLN A 44 -3.197 1.396 6.862 1.00 0.00 C ATOM 769 CG GLN A 44 -3.359 1.214 8.363 1.00 0.00 C ATOM 770 CD GLN A 44 -4.278 0.060 8.713 1.00 0.00 C ATOM 771 OE1 GLN A 44 -4.909 -0.533 7.838 1.00 0.00 O ATOM 772 NE2 GLN A 44 -4.357 -0.264 9.998 1.00 0.00 N ATOM 0 H GLN A 44 -2.597 3.794 7.024 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.056 1.403 7.021 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.965 2.081 6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.367 0.439 6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.381 1.044 8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.754 2.133 8.796 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.816 0.255 10.689 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.959 -1.032 10.294 1.00 0.00 H new ATOM 781 N ILE A 45 -2.239 2.478 4.128 1.00 0.00 N ATOM 782 CA ILE A 45 -2.083 2.339 2.687 1.00 0.00 C ATOM 783 C ILE A 45 -0.649 2.652 2.276 1.00 0.00 C ATOM 784 O ILE A 45 -0.070 1.967 1.433 1.00 0.00 O ATOM 785 CB ILE A 45 -3.052 3.262 1.918 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.493 3.026 2.383 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.931 3.034 0.418 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.142 4.253 2.983 1.00 0.00 C ATOM 0 H ILE A 45 -2.873 3.222 4.418 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.320 1.306 2.432 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.784 4.297 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.089 2.687 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.502 2.223 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.622 3.694 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.911 3.248 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.173 1.997 0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.160 4.013 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.569 4.580 3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.165 5.052 2.242 1.00 0.00 H new ATOM 800 N LYS A 46 -0.077 3.688 2.885 1.00 0.00 N ATOM 801 CA LYS A 46 1.295 4.086 2.589 1.00 0.00 C ATOM 802 C LYS A 46 2.261 2.940 2.872 1.00 0.00 C ATOM 803 O LYS A 46 3.141 2.643 2.063 1.00 0.00 O ATOM 804 CB LYS A 46 1.686 5.311 3.418 1.00 0.00 C ATOM 805 CG LYS A 46 3.054 5.873 3.061 1.00 0.00 C ATOM 806 CD LYS A 46 3.880 6.176 4.302 1.00 0.00 C ATOM 807 CE LYS A 46 5.303 5.659 4.164 1.00 0.00 C ATOM 808 NZ LYS A 46 5.978 6.204 2.953 1.00 0.00 N ATOM 0 H LYS A 46 -0.542 4.266 3.585 1.00 0.00 H new ATOM 0 HA LYS A 46 1.354 4.340 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.935 6.089 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.676 5.043 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.588 5.159 2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.931 6.783 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.898 7.252 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.409 5.721 5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.875 5.930 5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.290 4.570 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.009 6.118 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.672 5.669 2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.725 7.206 2.836 1.00 0.00 H new ATOM 822 N ILE A 47 2.088 2.298 4.024 1.00 0.00 N ATOM 823 CA ILE A 47 2.944 1.183 4.411 1.00 0.00 C ATOM 824 C ILE A 47 2.778 0.012 3.446 1.00 0.00 C ATOM 825 O ILE A 47 3.751 -0.649 3.083 1.00 0.00 O ATOM 826 CB ILE A 47 2.638 0.712 5.850 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.913 1.841 6.844 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.463 -0.520 6.201 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.141 1.709 8.139 1.00 0.00 C ATOM 0 H ILE A 47 1.364 2.531 4.704 1.00 0.00 H new ATOM 0 HA ILE A 47 3.974 1.537 4.372 1.00 0.00 H new ATOM 0 HB ILE A 47 1.583 0.443 5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.980 1.865 7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.663 2.794 6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.232 -0.835 7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.224 -1.327 5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.524 -0.281 6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.386 2.544 8.795 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.072 1.715 7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.409 0.772 8.628 1.00 0.00 H new ATOM 841 N TRP A 48 1.540 -0.235 3.029 1.00 0.00 N ATOM 842 CA TRP A 48 1.251 -1.323 2.103 1.00 0.00 C ATOM 843 C TRP A 48 1.991 -1.120 0.787 1.00 0.00 C ATOM 844 O TRP A 48 2.561 -2.058 0.229 1.00 0.00 O ATOM 845 CB TRP A 48 -0.255 -1.416 1.844 1.00 0.00 C ATOM 846 CG TRP A 48 -0.623 -2.505 0.882 1.00 0.00 C ATOM 847 CD1 TRP A 48 -1.053 -3.762 1.194 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.586 -2.436 -0.550 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.284 -4.481 0.047 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.005 -3.690 -1.037 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.241 -1.438 -1.469 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.086 -3.971 -2.399 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.322 -1.720 -2.820 1.00 0.00 C ATOM 854 CH2 TRP A 48 -0.741 -2.977 -3.273 1.00 0.00 C ATOM 0 H TRP A 48 0.723 0.303 3.317 1.00 0.00 H new ATOM 0 HA TRP A 48 1.592 -2.254 2.555 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.770 -1.586 2.790 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.610 -0.462 1.455 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.192 -4.137 2.197 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.610 -5.447 0.008 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.083 -0.465 -1.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.410 -4.939 -2.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.058 -0.958 -3.538 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.793 -3.166 -4.335 1.00 0.00 H new ATOM 865 N PHE A 49 1.975 0.113 0.294 1.00 0.00 N ATOM 866 CA PHE A 49 2.641 0.445 -0.957 1.00 0.00 C ATOM 867 C PHE A 49 4.150 0.253 -0.843 1.00 0.00 C ATOM 868 O PHE A 49 4.771 -0.376 -1.699 1.00 0.00 O ATOM 869 CB PHE A 49 2.321 1.886 -1.356 1.00 0.00 C ATOM 870 CG PHE A 49 1.328 1.986 -2.476 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.034 1.959 -2.220 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.757 2.103 -3.787 1.00 0.00 C ATOM 873 CE1 PHE A 49 -0.948 2.048 -3.251 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.849 2.191 -4.822 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.507 2.163 -4.555 1.00 0.00 C ATOM 0 H PHE A 49 1.507 0.900 0.744 1.00 0.00 H new ATOM 0 HA PHE A 49 2.271 -0.230 -1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.933 2.418 -0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.243 2.387 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.384 1.867 -1.202 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.815 2.126 -4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.007 2.028 -3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.197 2.282 -5.840 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.220 2.231 -5.364 1.00 0.00 H new ATOM 885 N GLN A 50 4.732 0.794 0.222 1.00 0.00 N ATOM 886 CA GLN A 50 6.167 0.677 0.446 1.00 0.00 C ATOM 887 C GLN A 50 6.575 -0.786 0.583 1.00 0.00 C ATOM 888 O GLN A 50 7.649 -1.187 0.135 1.00 0.00 O ATOM 889 CB GLN A 50 6.575 1.450 1.702 1.00 0.00 C ATOM 890 CG GLN A 50 7.956 2.078 1.609 1.00 0.00 C ATOM 891 CD GLN A 50 8.987 1.348 2.446 1.00 0.00 C ATOM 892 OE1 GLN A 50 9.861 0.662 1.917 1.00 0.00 O ATOM 893 NE2 GLN A 50 8.890 1.492 3.762 1.00 0.00 N ATOM 0 H GLN A 50 4.233 1.317 0.942 1.00 0.00 H new ATOM 0 HA GLN A 50 6.680 1.103 -0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.841 2.233 1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.549 0.776 2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.278 2.085 0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.901 3.117 1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.149 2.071 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.556 1.024 4.377 1.00 0.00 H new ATOM 902 N ASN A 51 5.707 -1.580 1.202 1.00 0.00 N ATOM 903 CA ASN A 51 5.973 -3.000 1.396 1.00 0.00 C ATOM 904 C ASN A 51 5.901 -3.753 0.070 1.00 0.00 C ATOM 905 O ASN A 51 6.782 -4.551 -0.248 1.00 0.00 O ATOM 906 CB ASN A 51 4.976 -3.596 2.392 1.00 0.00 C ATOM 907 CG ASN A 51 5.229 -3.132 3.813 1.00 0.00 C ATOM 908 OD1 ASN A 51 4.336 -2.604 4.475 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.453 -3.327 4.290 1.00 0.00 N ATOM 0 H ASN A 51 4.813 -1.263 1.578 1.00 0.00 H new ATOM 0 HA ASN A 51 6.981 -3.105 1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.964 -3.320 2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.034 -4.684 2.352 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.683 -3.035 5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.163 -3.769 3.706 1.00 0.00 H new ATOM 916 N LYS A 52 4.849 -3.491 -0.699 1.00 0.00 N ATOM 917 CA LYS A 52 4.669 -4.143 -1.991 1.00 0.00 C ATOM 918 C LYS A 52 5.751 -3.707 -2.973 1.00 0.00 C ATOM 919 O LYS A 52 6.135 -4.461 -3.867 1.00 0.00 O ATOM 920 CB LYS A 52 3.283 -3.825 -2.560 1.00 0.00 C ATOM 921 CG LYS A 52 2.865 -4.739 -3.702 1.00 0.00 C ATOM 922 CD LYS A 52 2.635 -6.164 -3.224 1.00 0.00 C ATOM 923 CE LYS A 52 2.530 -7.136 -4.389 1.00 0.00 C ATOM 924 NZ LYS A 52 3.634 -8.135 -4.381 1.00 0.00 N ATOM 0 H LYS A 52 4.110 -2.833 -0.451 1.00 0.00 H new ATOM 0 HA LYS A 52 4.751 -5.220 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.546 -3.898 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.272 -2.793 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.953 -4.356 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.635 -4.733 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.454 -6.466 -2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.722 -6.206 -2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.572 -7.654 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.549 -6.581 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.526 -8.779 -5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.548 -7.643 -4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.601 -8.682 -3.497 1.00 0.00 H new ATOM 938 N ARG A 53 6.244 -2.485 -2.795 1.00 0.00 N ATOM 939 CA ARG A 53 7.287 -1.946 -3.660 1.00 0.00 C ATOM 940 C ARG A 53 8.621 -2.639 -3.399 1.00 0.00 C ATOM 941 O ARG A 53 9.405 -2.868 -4.320 1.00 0.00 O ATOM 942 CB ARG A 53 7.430 -0.438 -3.438 1.00 0.00 C ATOM 943 CG ARG A 53 6.830 0.403 -4.553 1.00 0.00 C ATOM 944 CD ARG A 53 7.814 1.446 -5.060 1.00 0.00 C ATOM 945 NE ARG A 53 8.147 2.429 -4.030 1.00 0.00 N ATOM 946 CZ ARG A 53 9.384 2.667 -3.591 1.00 0.00 C ATOM 947 NH1 ARG A 53 10.420 2.002 -4.087 1.00 0.00 N ATOM 948 NH2 ARG A 53 9.583 3.580 -2.650 1.00 0.00 N ATOM 0 H ARG A 53 5.937 -1.849 -2.059 1.00 0.00 H new ATOM 0 HA ARG A 53 6.999 -2.130 -4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.951 -0.171 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.487 -0.193 -3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.529 -0.245 -5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.929 0.898 -4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.725 0.952 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.389 1.956 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 53 7.384 2.968 -3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.275 1.300 -4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.361 2.193 -3.743 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.792 4.097 -2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.527 3.766 -2.311 1.00 0.00 H new