USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=10 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 Set 1.1: A 9 SER OG : rot 180:sc= -0.565 USER MOD Set 1.2: A 12 GLN :FLIP amide:sc= 0.708 F(o=-1.1,f=0.14) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0782 X(o=-0.078,f=-0.44) USER MOD Single : A 23 ASN :FLIP amide:sc= 1.05 F(o=-0.067,f=1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.309 USER MOD Single : A 32 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.4) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.33 F(o=-0.95,f=-0.33) USER MOD Single : A 35 SER OG : rot 50:sc= 1.12 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.13) USER MOD Single : A 44 GLN : amide:sc= -0.0603 K(o=-0.06,f=-1.1!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.511 F(o=-1.2,f=-0.51) USER MOD Single : A 51 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.019) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.806 -6.485 3.461 1.00 0.00 N ATOM 176 CA SER A 9 -9.687 -7.516 2.926 1.00 0.00 C ATOM 177 C SER A 9 -9.265 -7.908 1.514 1.00 0.00 C ATOM 178 O SER A 9 -8.558 -7.160 0.838 1.00 0.00 O ATOM 179 CB SER A 9 -11.137 -7.028 2.921 1.00 0.00 C ATOM 180 OG SER A 9 -11.420 -6.274 1.754 1.00 0.00 O ATOM 0 HA SER A 9 -9.611 -8.394 3.568 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.811 -7.883 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.321 -6.418 3.805 1.00 0.00 H new ATOM 0 HG SER A 9 -12.353 -5.976 1.776 1.00 0.00 H new ATOM 186 N SER A 10 -9.703 -9.083 1.072 1.00 0.00 N ATOM 187 CA SER A 10 -9.369 -9.572 -0.262 1.00 0.00 C ATOM 188 C SER A 10 -9.732 -8.543 -1.328 1.00 0.00 C ATOM 189 O SER A 10 -8.950 -8.276 -2.241 1.00 0.00 O ATOM 190 CB SER A 10 -10.094 -10.890 -0.541 1.00 0.00 C ATOM 191 OG SER A 10 -9.822 -11.845 0.471 1.00 0.00 O ATOM 0 H SER A 10 -10.290 -9.714 1.618 1.00 0.00 H new ATOM 0 HA SER A 10 -8.293 -9.741 -0.300 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.168 -10.713 -0.599 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.783 -11.282 -1.509 1.00 0.00 H new ATOM 0 HG SER A 10 -10.298 -12.678 0.271 1.00 0.00 H new ATOM 197 N GLU A 11 -10.924 -7.968 -1.207 1.00 0.00 N ATOM 198 CA GLU A 11 -11.393 -6.966 -2.158 1.00 0.00 C ATOM 199 C GLU A 11 -10.564 -5.689 -2.060 1.00 0.00 C ATOM 200 O GLU A 11 -10.274 -5.045 -3.070 1.00 0.00 O ATOM 201 CB GLU A 11 -12.870 -6.651 -1.910 1.00 0.00 C ATOM 202 CG GLU A 11 -13.735 -7.889 -1.737 1.00 0.00 C ATOM 203 CD GLU A 11 -14.570 -7.847 -0.470 1.00 0.00 C ATOM 204 OE1 GLU A 11 -14.892 -6.733 -0.009 1.00 0.00 O ATOM 205 OE2 GLU A 11 -14.900 -8.929 0.059 1.00 0.00 O ATOM 0 H GLU A 11 -11.584 -8.179 -0.458 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.278 -7.373 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.956 -6.030 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.253 -6.064 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.395 -7.990 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.098 -8.773 -1.718 1.00 0.00 H new ATOM 212 N GLN A 12 -10.184 -5.329 -0.838 1.00 0.00 N ATOM 213 CA GLN A 12 -9.389 -4.129 -0.611 1.00 0.00 C ATOM 214 C GLN A 12 -7.999 -4.284 -1.215 1.00 0.00 C ATOM 215 O GLN A 12 -7.509 -3.390 -1.907 1.00 0.00 O ATOM 216 CB GLN A 12 -9.278 -3.838 0.886 1.00 0.00 C ATOM 217 CG GLN A 12 -10.577 -3.358 1.510 1.00 0.00 C ATOM 218 CD GLN A 12 -10.470 -3.175 3.011 1.00 0.00 C ATOM 219 OE1 GLN A 12 -10.864 -2.002 3.494 1.00 0.00 O flip ATOM 220 NE2 GLN A 12 -10.039 -4.077 3.728 1.00 0.00 N flip ATOM 0 H GLN A 12 -10.414 -5.850 0.008 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.890 -3.292 -1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.950 -4.742 1.400 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.508 -3.083 1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.868 -2.413 1.052 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.368 -4.075 1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.747 -4.962 3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.973 -3.939 4.737 1.00 0.00 H new ATOM 229 N LEU A 13 -7.370 -5.425 -0.958 1.00 0.00 N ATOM 230 CA LEU A 13 -6.040 -5.693 -1.489 1.00 0.00 C ATOM 231 C LEU A 13 -6.087 -5.787 -3.008 1.00 0.00 C ATOM 232 O LEU A 13 -5.155 -5.371 -3.696 1.00 0.00 O ATOM 233 CB LEU A 13 -5.479 -6.994 -0.909 1.00 0.00 C ATOM 234 CG LEU A 13 -4.804 -6.885 0.467 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.801 -8.013 0.649 1.00 0.00 C ATOM 236 CD2 LEU A 13 -4.114 -5.538 0.641 1.00 0.00 C ATOM 0 H LEU A 13 -7.758 -6.176 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.387 -4.869 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.292 -7.716 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.755 -7.400 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.579 -6.967 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.329 -7.926 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.315 -8.972 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.039 -7.951 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.646 -5.493 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.352 -5.417 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.849 -4.738 0.552 1.00 0.00 H new ATOM 248 N ALA A 14 -7.185 -6.329 -3.526 1.00 0.00 N ATOM 249 CA ALA A 14 -7.359 -6.470 -4.964 1.00 0.00 C ATOM 250 C ALA A 14 -7.343 -5.105 -5.636 1.00 0.00 C ATOM 251 O ALA A 14 -6.636 -4.891 -6.622 1.00 0.00 O ATOM 252 CB ALA A 14 -8.658 -7.201 -5.272 1.00 0.00 C ATOM 0 H ALA A 14 -7.966 -6.677 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.530 -7.058 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.774 -7.298 -6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.634 -8.192 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.498 -6.637 -4.867 1.00 0.00 H new ATOM 258 N ARG A 15 -8.122 -4.177 -5.087 1.00 0.00 N ATOM 259 CA ARG A 15 -8.188 -2.825 -5.628 1.00 0.00 C ATOM 260 C ARG A 15 -6.823 -2.152 -5.540 1.00 0.00 C ATOM 261 O ARG A 15 -6.352 -1.545 -6.504 1.00 0.00 O ATOM 262 CB ARG A 15 -9.231 -1.996 -4.874 1.00 0.00 C ATOM 263 CG ARG A 15 -9.461 -0.620 -5.477 1.00 0.00 C ATOM 264 CD ARG A 15 -10.587 0.122 -4.772 1.00 0.00 C ATOM 265 NE ARG A 15 -10.116 1.357 -4.143 1.00 0.00 N ATOM 266 CZ ARG A 15 -10.730 2.535 -4.253 1.00 0.00 C ATOM 267 NH1 ARG A 15 -11.851 2.653 -4.956 1.00 0.00 N ATOM 268 NH2 ARG A 15 -10.223 3.601 -3.651 1.00 0.00 N ATOM 0 H ARG A 15 -8.714 -4.336 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.483 -2.888 -6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -10.175 -2.540 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.913 -1.882 -3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.543 -0.036 -5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.699 -0.722 -6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.373 0.357 -5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.030 -0.525 -4.015 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.263 1.313 -3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.251 1.837 -5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.312 3.560 -5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.365 3.519 -3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.691 4.504 -3.733 1.00 0.00 H new ATOM 282 N LEU A 16 -6.189 -2.270 -4.377 1.00 0.00 N ATOM 283 CA LEU A 16 -4.874 -1.681 -4.159 1.00 0.00 C ATOM 284 C LEU A 16 -3.847 -2.304 -5.098 1.00 0.00 C ATOM 285 O LEU A 16 -2.940 -1.625 -5.581 1.00 0.00 O ATOM 286 CB LEU A 16 -4.440 -1.875 -2.705 1.00 0.00 C ATOM 287 CG LEU A 16 -5.158 -0.981 -1.690 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.542 -1.776 -0.448 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.283 0.207 -1.315 1.00 0.00 C ATOM 0 H LEU A 16 -6.566 -2.769 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.936 -0.613 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.604 -2.917 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.368 -1.691 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.072 -0.606 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.051 -1.122 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.207 -2.593 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.643 -2.183 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.808 0.832 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.352 -0.151 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.061 0.792 -2.208 1.00 0.00 H new ATOM 301 N LYS A 17 -3.999 -3.599 -5.356 1.00 0.00 N ATOM 302 CA LYS A 17 -3.088 -4.314 -6.241 1.00 0.00 C ATOM 303 C LYS A 17 -3.156 -3.741 -7.652 1.00 0.00 C ATOM 304 O LYS A 17 -2.129 -3.504 -8.287 1.00 0.00 O ATOM 305 CB LYS A 17 -3.425 -5.807 -6.263 1.00 0.00 C ATOM 306 CG LYS A 17 -2.309 -6.689 -5.727 1.00 0.00 C ATOM 307 CD LYS A 17 -2.851 -7.992 -5.162 1.00 0.00 C ATOM 308 CE LYS A 17 -2.964 -7.940 -3.647 1.00 0.00 C ATOM 309 NZ LYS A 17 -2.533 -9.216 -3.013 1.00 0.00 N ATOM 0 H LYS A 17 -4.745 -4.174 -4.964 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.074 -4.190 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.326 -5.977 -5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.653 -6.105 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.599 -6.905 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.762 -6.154 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.831 -8.197 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.197 -8.815 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.354 -7.121 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.996 -7.726 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.625 -9.139 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.131 -9.994 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.541 -9.408 -3.258 1.00 0.00 H new ATOM 323 N ARG A 18 -4.375 -3.517 -8.134 1.00 0.00 N ATOM 324 CA ARG A 18 -4.576 -2.966 -9.468 1.00 0.00 C ATOM 325 C ARG A 18 -3.958 -1.578 -9.572 1.00 0.00 C ATOM 326 O ARG A 18 -3.260 -1.267 -10.538 1.00 0.00 O ATOM 327 CB ARG A 18 -6.068 -2.899 -9.797 1.00 0.00 C ATOM 328 CG ARG A 18 -6.354 -2.470 -11.228 1.00 0.00 C ATOM 329 CD ARG A 18 -7.486 -1.456 -11.295 1.00 0.00 C ATOM 330 NE ARG A 18 -8.659 -1.895 -10.541 1.00 0.00 N ATOM 331 CZ ARG A 18 -9.906 -1.522 -10.823 1.00 0.00 C ATOM 332 NH1 ARG A 18 -10.152 -0.700 -11.836 1.00 0.00 N ATOM 333 NH2 ARG A 18 -10.912 -1.973 -10.086 1.00 0.00 N ATOM 0 H ARG A 18 -5.236 -3.708 -7.621 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.085 -3.622 -10.187 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.515 -3.878 -9.623 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.552 -2.202 -9.113 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.453 -2.040 -11.666 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.613 -3.344 -11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.140 -0.500 -10.903 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.765 -1.292 -12.336 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.514 -2.525 -9.752 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.383 -0.349 -12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.110 -0.420 -12.044 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.730 -2.604 -9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.868 -1.689 -10.300 1.00 0.00 H new ATOM 347 N GLU A 19 -4.215 -0.747 -8.567 1.00 0.00 N ATOM 348 CA GLU A 19 -3.679 0.609 -8.542 1.00 0.00 C ATOM 349 C GLU A 19 -2.155 0.583 -8.483 1.00 0.00 C ATOM 350 O GLU A 19 -1.484 1.406 -9.106 1.00 0.00 O ATOM 351 CB GLU A 19 -4.233 1.378 -7.342 1.00 0.00 C ATOM 352 CG GLU A 19 -5.639 1.913 -7.557 1.00 0.00 C ATOM 353 CD GLU A 19 -5.995 3.024 -6.587 1.00 0.00 C ATOM 354 OE1 GLU A 19 -5.172 3.946 -6.414 1.00 0.00 O ATOM 355 OE2 GLU A 19 -7.097 2.971 -6.003 1.00 0.00 O ATOM 0 H GLU A 19 -4.790 -0.989 -7.760 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.985 1.114 -9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.232 0.724 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.567 2.211 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.731 2.284 -8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.354 1.098 -7.449 1.00 0.00 H new ATOM 362 N PHE A 20 -1.616 -0.371 -7.732 1.00 0.00 N ATOM 363 CA PHE A 20 -0.172 -0.510 -7.590 1.00 0.00 C ATOM 364 C PHE A 20 0.472 -0.870 -8.925 1.00 0.00 C ATOM 365 O PHE A 20 1.549 -0.374 -9.259 1.00 0.00 O ATOM 366 CB PHE A 20 0.157 -1.581 -6.548 1.00 0.00 C ATOM 367 CG PHE A 20 1.630 -1.763 -6.317 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.361 -2.649 -7.092 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.282 -1.047 -5.327 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.716 -2.818 -6.882 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.638 -1.212 -5.113 1.00 0.00 C ATOM 372 CZ PHE A 20 4.356 -2.099 -5.892 1.00 0.00 C ATOM 0 H PHE A 20 -2.159 -1.060 -7.212 1.00 0.00 H new ATOM 0 HA PHE A 20 0.230 0.447 -7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.320 -1.317 -5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.272 -2.531 -6.867 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.866 -3.213 -7.869 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.725 -0.352 -4.716 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.275 -3.512 -7.492 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.135 -0.648 -4.338 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.415 -2.230 -5.727 1.00 0.00 H new ATOM 382 N ASN A 21 -0.193 -1.733 -9.686 1.00 0.00 N ATOM 383 CA ASN A 21 0.317 -2.158 -10.986 1.00 0.00 C ATOM 384 C ASN A 21 0.386 -0.980 -11.955 1.00 0.00 C ATOM 385 O ASN A 21 1.213 -0.964 -12.867 1.00 0.00 O ATOM 386 CB ASN A 21 -0.563 -3.268 -11.566 1.00 0.00 C ATOM 387 CG ASN A 21 0.201 -4.562 -11.767 1.00 0.00 C ATOM 388 OD1 ASN A 21 1.360 -4.555 -12.182 1.00 0.00 O ATOM 389 ND2 ASN A 21 -0.446 -5.684 -11.473 1.00 0.00 N ATOM 0 H ASN A 21 -1.086 -2.152 -9.426 1.00 0.00 H new ATOM 0 HA ASN A 21 1.326 -2.545 -10.845 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.406 -3.446 -10.899 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.976 -2.940 -12.520 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.017 -6.585 -11.589 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.406 -5.644 -11.132 1.00 0.00 H new ATOM 396 N GLU A 22 -0.482 0.006 -11.749 1.00 0.00 N ATOM 397 CA GLU A 22 -0.512 1.187 -12.604 1.00 0.00 C ATOM 398 C GLU A 22 0.539 2.195 -12.153 1.00 0.00 C ATOM 399 O GLU A 22 1.128 2.905 -12.968 1.00 0.00 O ATOM 400 CB GLU A 22 -1.899 1.832 -12.573 1.00 0.00 C ATOM 401 CG GLU A 22 -3.012 0.907 -13.038 1.00 0.00 C ATOM 402 CD GLU A 22 -4.388 1.518 -12.864 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.683 2.008 -11.754 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.171 1.504 -13.837 1.00 0.00 O ATOM 0 H GLU A 22 -1.173 0.010 -10.999 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.290 0.878 -13.625 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.114 2.163 -11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.891 2.722 -13.203 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.859 0.659 -14.088 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.960 -0.027 -12.479 1.00 0.00 H new ATOM 411 N ASN A 23 0.770 2.242 -10.846 1.00 0.00 N ATOM 412 CA ASN A 23 1.753 3.151 -10.270 1.00 0.00 C ATOM 413 C ASN A 23 2.225 2.630 -8.917 1.00 0.00 C ATOM 414 O ASN A 23 1.435 2.503 -7.986 1.00 0.00 O ATOM 415 CB ASN A 23 1.159 4.555 -10.119 1.00 0.00 C ATOM 416 CG ASN A 23 1.866 5.577 -10.986 1.00 0.00 C ATOM 417 OD1 ASN A 23 2.129 6.751 -10.423 1.00 0.00 O flip ATOM 418 ND2 ASN A 23 2.175 5.316 -12.149 1.00 0.00 N flip ATOM 0 H ASN A 23 0.287 1.658 -10.163 1.00 0.00 H new ATOM 0 HA ASN A 23 2.609 3.207 -10.942 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.101 4.529 -10.381 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.221 4.863 -9.075 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.954 4.401 -12.542 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.652 6.015 -12.719 1.00 0.00 H new ATOM 425 N ARG A 24 3.513 2.317 -8.824 1.00 0.00 N ATOM 426 CA ARG A 24 4.090 1.794 -7.587 1.00 0.00 C ATOM 427 C ARG A 24 4.228 2.876 -6.514 1.00 0.00 C ATOM 428 O ARG A 24 4.658 2.592 -5.396 1.00 0.00 O ATOM 429 CB ARG A 24 5.454 1.164 -7.872 1.00 0.00 C ATOM 430 CG ARG A 24 5.410 0.089 -8.945 1.00 0.00 C ATOM 431 CD ARG A 24 6.802 -0.410 -9.294 1.00 0.00 C ATOM 432 NE ARG A 24 6.760 -1.525 -10.239 1.00 0.00 N ATOM 433 CZ ARG A 24 7.416 -2.673 -10.072 1.00 0.00 C ATOM 434 NH1 ARG A 24 8.179 -2.869 -9.003 1.00 0.00 N ATOM 435 NH2 ARG A 24 7.307 -3.632 -10.982 1.00 0.00 N ATOM 0 H ARG A 24 4.179 2.416 -9.590 1.00 0.00 H new ATOM 0 HA ARG A 24 3.408 1.036 -7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.150 1.945 -8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.846 0.732 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.800 -0.746 -8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.930 0.486 -9.840 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.384 0.407 -9.721 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.314 -0.724 -8.384 1.00 0.00 H new ATOM 0 HE ARG A 24 6.192 -1.417 -11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.268 -2.137 -8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.676 -3.752 -8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.723 -3.489 -11.806 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.807 -4.512 -10.858 1.00 0.00 H new ATOM 449 N TYR A 25 3.867 4.112 -6.849 1.00 0.00 N ATOM 450 CA TYR A 25 3.959 5.215 -5.901 1.00 0.00 C ATOM 451 C TYR A 25 2.572 5.645 -5.438 1.00 0.00 C ATOM 452 O TYR A 25 1.561 5.130 -5.916 1.00 0.00 O ATOM 453 CB TYR A 25 4.691 6.402 -6.532 1.00 0.00 C ATOM 454 CG TYR A 25 5.921 6.010 -7.320 1.00 0.00 C ATOM 455 CD1 TYR A 25 5.831 5.679 -8.666 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.173 5.972 -6.718 1.00 0.00 C ATOM 457 CE1 TYR A 25 6.953 5.321 -9.390 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.299 5.616 -7.435 1.00 0.00 C ATOM 459 CZ TYR A 25 8.184 5.291 -8.771 1.00 0.00 C ATOM 460 OH TYR A 25 9.303 4.936 -9.488 1.00 0.00 O ATOM 0 H TYR A 25 3.509 4.373 -7.768 1.00 0.00 H new ATOM 0 HA TYR A 25 4.524 4.872 -5.034 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.003 6.933 -7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.981 7.098 -5.745 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.868 5.702 -9.155 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.267 6.225 -5.672 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.865 5.066 -10.436 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.265 5.592 -6.952 1.00 0.00 H new ATOM 0 HH TYR A 25 10.089 4.966 -8.904 1.00 0.00 H new ATOM 470 N LEU A 26 2.528 6.590 -4.505 1.00 0.00 N ATOM 471 CA LEU A 26 1.260 7.082 -3.982 1.00 0.00 C ATOM 472 C LEU A 26 1.319 8.582 -3.717 1.00 0.00 C ATOM 473 O LEU A 26 2.246 9.075 -3.075 1.00 0.00 O ATOM 474 CB LEU A 26 0.896 6.355 -2.682 1.00 0.00 C ATOM 475 CG LEU A 26 -0.087 5.184 -2.809 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.690 4.868 -1.452 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.198 5.486 -3.802 1.00 0.00 C ATOM 0 H LEU A 26 3.353 7.029 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 26 0.497 6.886 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.815 5.982 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.473 7.083 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 26 0.470 4.323 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.387 4.036 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.103 4.598 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.220 5.743 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.873 4.632 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.753 6.364 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.766 5.678 -4.784 1.00 0.00 H new ATOM 489 N THR A 27 0.311 9.296 -4.201 1.00 0.00 N ATOM 490 CA THR A 27 0.231 10.735 -4.000 1.00 0.00 C ATOM 491 C THR A 27 -0.602 11.042 -2.765 1.00 0.00 C ATOM 492 O THR A 27 -1.357 10.190 -2.293 1.00 0.00 O ATOM 493 CB THR A 27 -0.392 11.414 -5.221 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.794 11.206 -5.246 1.00 0.00 O ATOM 495 CG2 THR A 27 0.172 10.920 -6.537 1.00 0.00 C ATOM 0 H THR A 27 -0.463 8.901 -4.736 1.00 0.00 H new ATOM 0 HA THR A 27 1.241 11.120 -3.860 1.00 0.00 H new ATOM 0 HB THR A 27 -0.150 12.472 -5.119 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.176 11.648 -6.032 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.314 11.443 -7.360 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.245 11.112 -6.568 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.008 9.849 -6.631 1.00 0.00 H new ATOM 503 N GLU A 28 -0.480 12.258 -2.246 1.00 0.00 N ATOM 504 CA GLU A 28 -1.245 12.654 -1.071 1.00 0.00 C ATOM 505 C GLU A 28 -2.732 12.420 -1.313 1.00 0.00 C ATOM 506 O GLU A 28 -3.430 11.846 -0.479 1.00 0.00 O ATOM 507 CB GLU A 28 -0.988 14.126 -0.737 1.00 0.00 C ATOM 508 CG GLU A 28 -0.673 14.372 0.729 1.00 0.00 C ATOM 509 CD GLU A 28 0.672 13.805 1.140 1.00 0.00 C ATOM 510 OE1 GLU A 28 1.701 14.454 0.857 1.00 0.00 O ATOM 511 OE2 GLU A 28 0.697 12.713 1.745 1.00 0.00 O ATOM 0 H GLU A 28 0.136 12.981 -2.617 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.925 12.047 -0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.158 14.488 -1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.865 14.711 -1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.686 15.444 0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.454 13.926 1.344 1.00 0.00 H new ATOM 518 N ARG A 29 -3.203 12.866 -2.473 1.00 0.00 N ATOM 519 CA ARG A 29 -4.600 12.707 -2.852 1.00 0.00 C ATOM 520 C ARG A 29 -4.997 11.233 -2.913 1.00 0.00 C ATOM 521 O ARG A 29 -6.095 10.864 -2.498 1.00 0.00 O ATOM 522 CB ARG A 29 -4.862 13.372 -4.205 1.00 0.00 C ATOM 523 CG ARG A 29 -6.241 14.001 -4.319 1.00 0.00 C ATOM 524 CD ARG A 29 -7.309 12.958 -4.606 1.00 0.00 C ATOM 525 NE ARG A 29 -8.653 13.530 -4.585 1.00 0.00 N ATOM 526 CZ ARG A 29 -9.267 13.941 -3.478 1.00 0.00 C ATOM 527 NH1 ARG A 29 -8.662 13.845 -2.300 1.00 0.00 N ATOM 528 NH2 ARG A 29 -10.489 14.450 -3.547 1.00 0.00 N ATOM 0 H ARG A 29 -2.632 13.344 -3.170 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.208 13.192 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.107 14.140 -4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.745 12.629 -4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.481 14.523 -3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.237 14.747 -5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.122 12.507 -5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.243 12.159 -3.867 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.150 13.620 -5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.722 13.455 -2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.138 14.162 -1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.959 14.527 -4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.959 14.765 -2.698 1.00 0.00 H new ATOM 542 N ARG A 30 -4.106 10.395 -3.440 1.00 0.00 N ATOM 543 CA ARG A 30 -4.384 8.968 -3.559 1.00 0.00 C ATOM 544 C ARG A 30 -4.441 8.303 -2.191 1.00 0.00 C ATOM 545 O ARG A 30 -5.316 7.480 -1.926 1.00 0.00 O ATOM 546 CB ARG A 30 -3.320 8.290 -4.423 1.00 0.00 C ATOM 547 CG ARG A 30 -3.569 8.429 -5.915 1.00 0.00 C ATOM 548 CD ARG A 30 -4.283 7.209 -6.477 1.00 0.00 C ATOM 549 NE ARG A 30 -3.727 6.793 -7.761 1.00 0.00 N ATOM 550 CZ ARG A 30 -3.789 7.526 -8.870 1.00 0.00 C ATOM 551 NH1 ARG A 30 -4.388 8.711 -8.856 1.00 0.00 N ATOM 552 NH2 ARG A 30 -3.254 7.075 -9.995 1.00 0.00 N ATOM 0 H ARG A 30 -3.191 10.679 -3.789 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.358 8.856 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.345 8.715 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.277 7.231 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.167 9.321 -6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.619 8.567 -6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.209 6.386 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.343 7.432 -6.596 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.263 5.886 -7.811 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.803 9.063 -7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.433 9.270 -9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.794 6.165 -10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.302 7.638 -10.844 1.00 0.00 H new ATOM 566 N ARG A 31 -3.502 8.664 -1.325 1.00 0.00 N ATOM 567 CA ARG A 31 -3.445 8.099 0.016 1.00 0.00 C ATOM 568 C ARG A 31 -4.733 8.385 0.785 1.00 0.00 C ATOM 569 O ARG A 31 -5.350 7.478 1.345 1.00 0.00 O ATOM 570 CB ARG A 31 -2.246 8.671 0.777 1.00 0.00 C ATOM 571 CG ARG A 31 -1.507 7.641 1.616 1.00 0.00 C ATOM 572 CD ARG A 31 -0.033 7.990 1.755 1.00 0.00 C ATOM 573 NE ARG A 31 0.281 8.518 3.081 1.00 0.00 N ATOM 574 CZ ARG A 31 1.418 9.143 3.379 1.00 0.00 C ATOM 575 NH1 ARG A 31 2.348 9.322 2.450 1.00 0.00 N ATOM 576 NH2 ARG A 31 1.626 9.590 4.609 1.00 0.00 N ATOM 0 H ARG A 31 -2.770 9.345 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.332 7.019 -0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.550 9.112 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.590 9.477 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.963 7.581 2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.608 6.657 1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.569 7.101 1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.239 8.726 0.998 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.411 8.401 3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.194 8.980 1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.217 9.802 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.915 9.455 5.328 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.497 10.069 4.837 1.00 0.00 H new ATOM 590 N GLN A 32 -5.128 9.654 0.812 1.00 0.00 N ATOM 591 CA GLN A 32 -6.337 10.069 1.517 1.00 0.00 C ATOM 592 C GLN A 32 -7.593 9.517 0.847 1.00 0.00 C ATOM 593 O GLN A 32 -8.530 9.091 1.524 1.00 0.00 O ATOM 594 CB GLN A 32 -6.412 11.596 1.580 1.00 0.00 C ATOM 595 CG GLN A 32 -7.523 12.114 2.479 1.00 0.00 C ATOM 596 CD GLN A 32 -8.812 12.370 1.724 1.00 0.00 C ATOM 597 OE1 GLN A 32 -9.781 11.622 1.853 1.00 0.00 O ATOM 598 NE2 GLN A 32 -8.830 13.433 0.927 1.00 0.00 N ATOM 0 H GLN A 32 -4.627 10.415 0.353 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.287 9.665 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.458 11.984 1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.559 11.986 0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.709 11.391 3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.197 13.037 2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.004 14.027 0.850 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.670 13.655 0.392 1.00 0.00 H new ATOM 607 N GLN A 33 -7.612 9.527 -0.483 1.00 0.00 N ATOM 608 CA GLN A 33 -8.762 9.028 -1.230 1.00 0.00 C ATOM 609 C GLN A 33 -8.916 7.525 -1.043 1.00 0.00 C ATOM 610 O GLN A 33 -10.027 7.022 -0.883 1.00 0.00 O ATOM 611 CB GLN A 33 -8.618 9.354 -2.717 1.00 0.00 C ATOM 612 CG GLN A 33 -9.181 10.713 -3.099 1.00 0.00 C ATOM 613 CD GLN A 33 -10.692 10.769 -2.988 1.00 0.00 C ATOM 614 OE1 GLN A 33 -11.188 11.106 -1.803 1.00 0.00 O flip ATOM 615 NE2 GLN A 33 -11.407 10.511 -3.957 1.00 0.00 N flip ATOM 0 H GLN A 33 -6.848 9.873 -1.063 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.654 9.522 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.563 9.318 -2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.123 8.584 -3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.744 11.477 -2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.886 10.950 -4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.984 10.256 -4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.422 10.552 -3.867 1.00 0.00 H new ATOM 624 N LEU A 34 -7.796 6.813 -1.061 1.00 0.00 N ATOM 625 CA LEU A 34 -7.813 5.368 -0.888 1.00 0.00 C ATOM 626 C LEU A 34 -8.283 5.004 0.515 1.00 0.00 C ATOM 627 O LEU A 34 -9.046 4.058 0.698 1.00 0.00 O ATOM 628 CB LEU A 34 -6.422 4.784 -1.144 1.00 0.00 C ATOM 629 CG LEU A 34 -6.173 4.304 -2.575 1.00 0.00 C ATOM 630 CD1 LEU A 34 -4.700 4.426 -2.930 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.646 2.868 -2.744 1.00 0.00 C ATOM 0 H LEU A 34 -6.867 7.213 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.510 4.944 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.676 5.539 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.266 3.947 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.743 4.937 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.542 4.080 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.391 5.468 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.109 3.818 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.461 2.542 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.103 2.222 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.713 2.809 -2.531 1.00 0.00 H new ATOM 643 N SER A 35 -7.825 5.764 1.503 1.00 0.00 N ATOM 644 CA SER A 35 -8.198 5.523 2.890 1.00 0.00 C ATOM 645 C SER A 35 -9.706 5.652 3.074 1.00 0.00 C ATOM 646 O SER A 35 -10.355 4.767 3.632 1.00 0.00 O ATOM 647 CB SER A 35 -7.470 6.508 3.810 1.00 0.00 C ATOM 648 OG SER A 35 -8.228 6.789 4.975 1.00 0.00 O ATOM 0 H SER A 35 -7.194 6.554 1.368 1.00 0.00 H new ATOM 0 HA SER A 35 -7.905 4.507 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.503 6.094 4.095 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.274 7.434 3.270 1.00 0.00 H new ATOM 0 HG SER A 35 -8.520 5.949 5.386 1.00 0.00 H new ATOM 654 N SER A 36 -10.248 6.768 2.607 1.00 0.00 N ATOM 655 CA SER A 36 -11.680 7.037 2.721 1.00 0.00 C ATOM 656 C SER A 36 -12.506 6.125 1.813 1.00 0.00 C ATOM 657 O SER A 36 -13.516 5.562 2.238 1.00 0.00 O ATOM 658 CB SER A 36 -11.969 8.500 2.384 1.00 0.00 C ATOM 659 OG SER A 36 -13.253 8.885 2.842 1.00 0.00 O ATOM 0 H SER A 36 -9.718 7.506 2.144 1.00 0.00 H new ATOM 0 HA SER A 36 -11.970 6.833 3.752 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.211 9.138 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.905 8.648 1.306 1.00 0.00 H new ATOM 0 HG SER A 36 -13.413 9.825 2.616 1.00 0.00 H new ATOM 665 N GLU A 37 -12.088 6.008 0.558 1.00 0.00 N ATOM 666 CA GLU A 37 -12.802 5.194 -0.422 1.00 0.00 C ATOM 667 C GLU A 37 -12.836 3.715 -0.038 1.00 0.00 C ATOM 668 O GLU A 37 -13.880 3.071 -0.134 1.00 0.00 O ATOM 669 CB GLU A 37 -12.167 5.356 -1.804 1.00 0.00 C ATOM 670 CG GLU A 37 -13.089 4.966 -2.949 1.00 0.00 C ATOM 671 CD GLU A 37 -14.437 5.657 -2.875 1.00 0.00 C ATOM 672 OE1 GLU A 37 -14.515 6.741 -2.261 1.00 0.00 O ATOM 673 OE2 GLU A 37 -15.415 5.113 -3.431 1.00 0.00 O ATOM 0 H GLU A 37 -11.254 6.468 0.193 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.832 5.550 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.860 6.394 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.264 4.748 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.610 5.213 -3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.238 3.886 -2.939 1.00 0.00 H new ATOM 680 N LEU A 38 -11.698 3.174 0.384 1.00 0.00 N ATOM 681 CA LEU A 38 -11.626 1.763 0.762 1.00 0.00 C ATOM 682 C LEU A 38 -12.046 1.558 2.212 1.00 0.00 C ATOM 683 O LEU A 38 -12.774 0.617 2.529 1.00 0.00 O ATOM 684 CB LEU A 38 -10.209 1.222 0.552 1.00 0.00 C ATOM 685 CG LEU A 38 -9.916 0.691 -0.853 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.429 0.419 -1.019 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.727 -0.570 -1.126 1.00 0.00 C ATOM 0 H LEU A 38 -10.819 3.684 0.473 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.317 1.214 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.497 2.015 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.033 0.421 1.270 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.209 1.450 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.238 0.042 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.871 1.343 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.111 -0.323 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.507 -0.934 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.465 -1.336 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.790 -0.343 -1.048 1.00 0.00 H new ATOM 699 N GLY A 39 -11.581 2.437 3.090 1.00 0.00 N ATOM 700 CA GLY A 39 -11.919 2.328 4.497 1.00 0.00 C ATOM 701 C GLY A 39 -10.727 1.929 5.343 1.00 0.00 C ATOM 702 O GLY A 39 -10.874 1.245 6.355 1.00 0.00 O ATOM 0 H GLY A 39 -10.976 3.224 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.310 3.282 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.714 1.592 4.622 1.00 0.00 H new ATOM 706 N LEU A 40 -9.542 2.362 4.925 1.00 0.00 N ATOM 707 CA LEU A 40 -8.314 2.050 5.647 1.00 0.00 C ATOM 708 C LEU A 40 -7.584 3.330 6.038 1.00 0.00 C ATOM 709 O LEU A 40 -7.883 4.407 5.524 1.00 0.00 O ATOM 710 CB LEU A 40 -7.403 1.169 4.790 1.00 0.00 C ATOM 711 CG LEU A 40 -7.985 -0.196 4.416 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.627 -0.556 2.982 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.493 -1.269 5.376 1.00 0.00 C ATOM 0 H LEU A 40 -9.406 2.931 4.089 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.578 1.507 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.161 1.707 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.466 1.013 5.325 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.071 -0.138 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.050 -1.530 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.031 0.197 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.543 -0.594 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.918 -2.232 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.405 -1.325 5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.803 -1.019 6.391 1.00 0.00 H new ATOM 725 N ASN A 41 -6.628 3.209 6.953 1.00 0.00 N ATOM 726 CA ASN A 41 -5.863 4.363 7.409 1.00 0.00 C ATOM 727 C ASN A 41 -4.795 4.748 6.391 1.00 0.00 C ATOM 728 O ASN A 41 -4.123 3.887 5.821 1.00 0.00 O ATOM 729 CB ASN A 41 -5.213 4.070 8.762 1.00 0.00 C ATOM 730 CG ASN A 41 -5.067 5.317 9.613 1.00 0.00 C ATOM 731 OD1 ASN A 41 -3.977 5.631 10.092 1.00 0.00 O ATOM 732 ND2 ASN A 41 -6.167 6.035 9.805 1.00 0.00 N ATOM 0 H ASN A 41 -6.365 2.327 7.392 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.552 5.201 7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.812 3.335 9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.231 3.625 8.602 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.130 6.884 10.369 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.049 5.737 9.389 1.00 0.00 H new ATOM 739 N GLU A 42 -4.647 6.051 6.165 1.00 0.00 N ATOM 740 CA GLU A 42 -3.664 6.561 5.214 1.00 0.00 C ATOM 741 C GLU A 42 -2.284 5.964 5.474 1.00 0.00 C ATOM 742 O GLU A 42 -1.550 5.642 4.540 1.00 0.00 O ATOM 743 CB GLU A 42 -3.593 8.087 5.294 1.00 0.00 C ATOM 744 CG GLU A 42 -4.722 8.789 4.557 1.00 0.00 C ATOM 745 CD GLU A 42 -4.608 10.300 4.619 1.00 0.00 C ATOM 746 OE1 GLU A 42 -5.057 10.889 5.624 1.00 0.00 O ATOM 747 OE2 GLU A 42 -4.068 10.894 3.661 1.00 0.00 O ATOM 0 H GLU A 42 -5.197 6.774 6.629 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.981 6.267 4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.611 8.389 6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.640 8.420 4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.723 8.471 3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.676 8.482 4.985 1.00 0.00 H new ATOM 754 N ALA A 43 -1.937 5.820 6.748 1.00 0.00 N ATOM 755 CA ALA A 43 -0.647 5.261 7.130 1.00 0.00 C ATOM 756 C ALA A 43 -0.524 3.806 6.691 1.00 0.00 C ATOM 757 O ALA A 43 0.554 3.351 6.305 1.00 0.00 O ATOM 758 CB ALA A 43 -0.445 5.380 8.633 1.00 0.00 C ATOM 0 H ALA A 43 -2.532 6.083 7.534 1.00 0.00 H new ATOM 0 HA ALA A 43 0.131 5.831 6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.523 4.958 8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.477 6.430 8.922 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.236 4.837 9.151 1.00 0.00 H new ATOM 764 N GLN A 44 -1.635 3.079 6.750 1.00 0.00 N ATOM 765 CA GLN A 44 -1.644 1.675 6.358 1.00 0.00 C ATOM 766 C GLN A 44 -1.455 1.536 4.854 1.00 0.00 C ATOM 767 O GLN A 44 -0.733 0.654 4.389 1.00 0.00 O ATOM 768 CB GLN A 44 -2.954 1.011 6.787 1.00 0.00 C ATOM 769 CG GLN A 44 -3.293 1.231 8.252 1.00 0.00 C ATOM 770 CD GLN A 44 -2.647 0.202 9.159 1.00 0.00 C ATOM 771 OE1 GLN A 44 -2.510 -0.965 8.796 1.00 0.00 O ATOM 772 NE2 GLN A 44 -2.246 0.635 10.350 1.00 0.00 N ATOM 0 H GLN A 44 -2.537 3.437 7.064 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.815 1.175 6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.767 1.398 6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.890 -0.060 6.594 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.969 2.228 8.551 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.375 1.195 8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.380 1.612 10.609 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.804 -0.010 11.005 1.00 0.00 H new ATOM 781 N ILE A 45 -2.092 2.422 4.097 1.00 0.00 N ATOM 782 CA ILE A 45 -1.973 2.398 2.647 1.00 0.00 C ATOM 783 C ILE A 45 -0.544 2.720 2.226 1.00 0.00 C ATOM 784 O ILE A 45 0.024 2.053 1.361 1.00 0.00 O ATOM 785 CB ILE A 45 -2.942 3.399 1.985 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.370 3.158 2.477 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.875 3.283 0.468 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.138 4.432 2.748 1.00 0.00 C ATOM 0 H ILE A 45 -2.692 3.161 4.462 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.234 1.394 2.313 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.643 4.409 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.908 2.570 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.336 2.563 3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.565 3.996 0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.861 3.497 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.151 2.272 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.142 4.185 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.623 5.011 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.204 5.019 1.832 1.00 0.00 H new ATOM 800 N LYS A 46 0.038 3.740 2.851 1.00 0.00 N ATOM 801 CA LYS A 46 1.407 4.143 2.548 1.00 0.00 C ATOM 802 C LYS A 46 2.374 2.990 2.791 1.00 0.00 C ATOM 803 O LYS A 46 3.240 2.709 1.963 1.00 0.00 O ATOM 804 CB LYS A 46 1.812 5.348 3.399 1.00 0.00 C ATOM 805 CG LYS A 46 2.949 6.164 2.799 1.00 0.00 C ATOM 806 CD LYS A 46 4.307 5.564 3.128 1.00 0.00 C ATOM 807 CE LYS A 46 4.897 6.172 4.391 1.00 0.00 C ATOM 808 NZ LYS A 46 6.010 7.113 4.087 1.00 0.00 N ATOM 0 H LYS A 46 -0.417 4.302 3.570 1.00 0.00 H new ATOM 0 HA LYS A 46 1.452 4.422 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.945 5.994 3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.109 5.000 4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.827 6.217 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.902 7.186 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.208 4.486 3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.989 5.726 2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.116 6.699 4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.262 5.376 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.385 7.506 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.767 6.605 3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.657 7.886 3.488 1.00 0.00 H new ATOM 822 N ILE A 47 2.222 2.322 3.932 1.00 0.00 N ATOM 823 CA ILE A 47 3.086 1.199 4.275 1.00 0.00 C ATOM 824 C ILE A 47 2.869 0.038 3.312 1.00 0.00 C ATOM 825 O ILE A 47 3.820 -0.627 2.904 1.00 0.00 O ATOM 826 CB ILE A 47 2.842 0.717 5.722 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.041 1.871 6.705 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.771 -0.439 6.067 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.325 1.671 8.024 1.00 0.00 C ATOM 0 H ILE A 47 1.511 2.539 4.631 1.00 0.00 H new ATOM 0 HA ILE A 47 4.115 1.549 4.195 1.00 0.00 H new ATOM 0 HB ILE A 47 1.813 0.365 5.799 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.107 1.996 6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.688 2.794 6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.583 -0.764 7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.589 -1.269 5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.807 -0.113 5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.510 2.528 8.672 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.254 1.576 7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.695 0.766 8.505 1.00 0.00 H new ATOM 841 N TRP A 48 1.612 -0.197 2.948 1.00 0.00 N ATOM 842 CA TRP A 48 1.273 -1.275 2.029 1.00 0.00 C ATOM 843 C TRP A 48 1.956 -1.069 0.682 1.00 0.00 C ATOM 844 O TRP A 48 2.505 -2.004 0.101 1.00 0.00 O ATOM 845 CB TRP A 48 -0.243 -1.353 1.836 1.00 0.00 C ATOM 846 CG TRP A 48 -0.671 -2.509 0.986 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.978 -3.768 1.412 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.837 -2.515 -0.438 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.325 -4.558 0.344 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.246 -3.812 -0.803 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.680 -1.551 -1.441 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.499 -4.170 -2.124 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.931 -1.908 -2.753 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.338 -3.208 -3.084 1.00 0.00 C ATOM 0 H TRP A 48 0.813 0.345 3.276 1.00 0.00 H new ATOM 0 HA TRP A 48 1.625 -2.212 2.460 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.723 -1.430 2.811 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.593 -0.426 1.381 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.952 -4.096 2.441 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.597 -5.540 0.396 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.368 -0.547 -1.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.811 -5.171 -2.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.812 -1.173 -3.536 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.528 -3.455 -4.118 1.00 0.00 H new ATOM 865 N PHE A 49 1.917 0.165 0.194 1.00 0.00 N ATOM 866 CA PHE A 49 2.531 0.502 -1.082 1.00 0.00 C ATOM 867 C PHE A 49 4.047 0.349 -1.011 1.00 0.00 C ATOM 868 O PHE A 49 4.661 -0.268 -1.881 1.00 0.00 O ATOM 869 CB PHE A 49 2.165 1.933 -1.480 1.00 0.00 C ATOM 870 CG PHE A 49 1.213 2.008 -2.637 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.141 1.771 -2.457 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.673 2.317 -3.906 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.017 1.840 -3.523 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.801 2.388 -4.974 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.546 2.150 -4.783 1.00 0.00 C ATOM 0 H PHE A 49 1.465 0.949 0.664 1.00 0.00 H new ATOM 0 HA PHE A 49 2.152 -0.186 -1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.722 2.438 -0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.076 2.475 -1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.515 1.530 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.725 2.504 -4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.069 1.652 -3.371 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.172 2.630 -5.959 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.229 2.206 -5.618 1.00 0.00 H new ATOM 885 N GLN A 50 4.645 0.917 0.032 1.00 0.00 N ATOM 886 CA GLN A 50 6.089 0.846 0.218 1.00 0.00 C ATOM 887 C GLN A 50 6.546 -0.596 0.414 1.00 0.00 C ATOM 888 O GLN A 50 7.617 -0.986 -0.052 1.00 0.00 O ATOM 889 CB GLN A 50 6.512 1.696 1.416 1.00 0.00 C ATOM 890 CG GLN A 50 7.979 2.093 1.391 1.00 0.00 C ATOM 891 CD GLN A 50 8.325 2.970 0.204 1.00 0.00 C ATOM 892 OE1 GLN A 50 8.606 2.345 -0.934 1.00 0.00 O flip ATOM 893 NE2 GLN A 50 8.341 4.197 0.308 1.00 0.00 N flip ATOM 0 H GLN A 50 4.151 1.432 0.761 1.00 0.00 H new ATOM 0 HA GLN A 50 6.564 1.237 -0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.900 2.598 1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.309 1.143 2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.224 2.621 2.312 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.595 1.194 1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.119 4.636 1.201 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.577 4.774 -0.499 1.00 0.00 H new ATOM 902 N ASN A 51 5.731 -1.386 1.108 1.00 0.00 N ATOM 903 CA ASN A 51 6.060 -2.785 1.361 1.00 0.00 C ATOM 904 C ASN A 51 6.010 -3.595 0.071 1.00 0.00 C ATOM 905 O ASN A 51 6.869 -4.441 -0.177 1.00 0.00 O ATOM 906 CB ASN A 51 5.098 -3.381 2.393 1.00 0.00 C ATOM 907 CG ASN A 51 5.721 -3.485 3.772 1.00 0.00 C ATOM 908 OD1 ASN A 51 5.522 -4.470 4.482 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.480 -2.465 4.159 1.00 0.00 N ATOM 0 H ASN A 51 4.841 -1.082 1.504 1.00 0.00 H new ATOM 0 HA ASN A 51 7.075 -2.829 1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.201 -2.764 2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.784 -4.371 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.924 -2.479 5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.618 -1.668 3.538 1.00 0.00 H new ATOM 916 N LYS A 52 4.997 -3.331 -0.748 1.00 0.00 N ATOM 917 CA LYS A 52 4.835 -4.035 -2.014 1.00 0.00 C ATOM 918 C LYS A 52 5.966 -3.689 -2.976 1.00 0.00 C ATOM 919 O LYS A 52 6.518 -4.565 -3.641 1.00 0.00 O ATOM 920 CB LYS A 52 3.483 -3.688 -2.644 1.00 0.00 C ATOM 921 CG LYS A 52 2.575 -4.893 -2.829 1.00 0.00 C ATOM 922 CD LYS A 52 2.350 -5.207 -4.299 1.00 0.00 C ATOM 923 CE LYS A 52 1.227 -6.215 -4.488 1.00 0.00 C ATOM 924 NZ LYS A 52 1.694 -7.613 -4.274 1.00 0.00 N ATOM 0 H LYS A 52 4.276 -2.635 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 52 4.869 -5.106 -1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.977 -2.954 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.652 -3.218 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.015 -5.759 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.616 -4.704 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.110 -4.289 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.270 -5.599 -4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.418 -5.992 -3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.818 -6.119 -5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.899 -8.269 -4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.449 -7.835 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.061 -7.712 -3.306 1.00 0.00 H new ATOM 938 N ARG A 53 6.305 -2.407 -3.046 1.00 0.00 N ATOM 939 CA ARG A 53 7.370 -1.947 -3.929 1.00 0.00 C ATOM 940 C ARG A 53 8.729 -2.433 -3.438 1.00 0.00 C ATOM 941 O ARG A 53 9.601 -2.779 -4.235 1.00 0.00 O ATOM 942 CB ARG A 53 7.363 -0.420 -4.022 1.00 0.00 C ATOM 943 CG ARG A 53 8.076 0.117 -5.254 1.00 0.00 C ATOM 944 CD ARG A 53 9.376 0.816 -4.889 1.00 0.00 C ATOM 945 NE ARG A 53 9.251 2.270 -4.946 1.00 0.00 N ATOM 946 CZ ARG A 53 10.169 3.113 -4.475 1.00 0.00 C ATOM 947 NH1 ARG A 53 11.277 2.650 -3.911 1.00 0.00 N ATOM 948 NH2 ARG A 53 9.977 4.421 -4.569 1.00 0.00 N ATOM 0 H ARG A 53 5.858 -1.668 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 53 7.191 -2.363 -4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.331 -0.069 -4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.835 -0.008 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.284 -0.703 -5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.422 0.814 -5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.679 0.517 -3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.164 0.493 -5.569 1.00 0.00 H new ATOM 0 HE ARG A 53 8.412 2.663 -5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.429 1.644 -3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.977 3.300 -3.552 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.127 4.782 -5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.679 5.067 -4.209 1.00 0.00 H new