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 170:sc= -0.726 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0749 USER MOD Single : A 12 GLN : amide:sc= -0.669 K(o=-0.67,f=-1.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.547 F(o=-1.4,f=-0.55) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.09! USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 95:sc= 1.12 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.41 K(o=-2.4,f=-9.7!) USER MOD Single : A 44 GLN : amide:sc= -0.037 X(o=-0.037,f=-0.11) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.473 X(o=-0.47,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.791) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.559 -7.035 3.166 1.00 0.00 N ATOM 176 CA SER A 9 -9.559 -7.917 2.578 1.00 0.00 C ATOM 177 C SER A 9 -9.252 -8.173 1.107 1.00 0.00 C ATOM 178 O SER A 9 -8.508 -7.419 0.481 1.00 0.00 O ATOM 179 CB SER A 9 -10.956 -7.310 2.725 1.00 0.00 C ATOM 180 OG SER A 9 -11.219 -6.378 1.689 1.00 0.00 O ATOM 0 HA SER A 9 -9.530 -8.868 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.704 -8.102 2.704 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.041 -6.816 3.693 1.00 0.00 H new ATOM 0 HG SER A 9 -12.166 -6.125 1.709 1.00 0.00 H new ATOM 186 N SER A 10 -9.827 -9.239 0.562 1.00 0.00 N ATOM 187 CA SER A 10 -9.610 -9.593 -0.837 1.00 0.00 C ATOM 188 C SER A 10 -9.921 -8.414 -1.757 1.00 0.00 C ATOM 189 O SER A 10 -9.148 -8.101 -2.661 1.00 0.00 O ATOM 190 CB SER A 10 -10.476 -10.794 -1.220 1.00 0.00 C ATOM 191 OG SER A 10 -10.787 -11.582 -0.084 1.00 0.00 O ATOM 0 H SER A 10 -10.447 -9.873 1.067 1.00 0.00 H new ATOM 0 HA SER A 10 -8.559 -9.855 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.397 -10.447 -1.689 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.953 -11.403 -1.957 1.00 0.00 H new ATOM 0 HG SER A 10 -11.343 -12.342 -0.355 1.00 0.00 H new ATOM 197 N GLU A 11 -11.059 -7.769 -1.523 1.00 0.00 N ATOM 198 CA GLU A 11 -11.477 -6.629 -2.333 1.00 0.00 C ATOM 199 C GLU A 11 -10.550 -5.432 -2.132 1.00 0.00 C ATOM 200 O GLU A 11 -10.227 -4.718 -3.084 1.00 0.00 O ATOM 201 CB GLU A 11 -12.916 -6.236 -1.988 1.00 0.00 C ATOM 202 CG GLU A 11 -13.954 -6.852 -2.914 1.00 0.00 C ATOM 203 CD GLU A 11 -14.568 -5.840 -3.859 1.00 0.00 C ATOM 204 OE1 GLU A 11 -14.651 -4.651 -3.484 1.00 0.00 O ATOM 205 OE2 GLU A 11 -14.966 -6.234 -4.975 1.00 0.00 O ATOM 0 H GLU A 11 -11.710 -8.016 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.424 -6.927 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.131 -6.538 -0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.006 -5.150 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.490 -7.650 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.742 -7.310 -2.316 1.00 0.00 H new ATOM 212 N GLN A 12 -10.129 -5.212 -0.890 1.00 0.00 N ATOM 213 CA GLN A 12 -9.248 -4.095 -0.575 1.00 0.00 C ATOM 214 C GLN A 12 -7.881 -4.285 -1.219 1.00 0.00 C ATOM 215 O GLN A 12 -7.332 -3.360 -1.816 1.00 0.00 O ATOM 216 CB GLN A 12 -9.091 -3.950 0.940 1.00 0.00 C ATOM 217 CG GLN A 12 -10.379 -3.573 1.653 1.00 0.00 C ATOM 218 CD GLN A 12 -10.286 -3.757 3.156 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.464 -4.530 3.649 1.00 0.00 O ATOM 220 NE2 GLN A 12 -11.130 -3.045 3.893 1.00 0.00 N ATOM 0 H GLN A 12 -10.383 -5.790 -0.089 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.699 -3.187 -0.975 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.721 -4.890 1.350 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.336 -3.192 1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.622 -2.534 1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.196 -4.181 1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.795 -2.416 3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.113 -3.127 4.910 1.00 0.00 H new ATOM 229 N LEU A 13 -7.337 -5.490 -1.100 1.00 0.00 N ATOM 230 CA LEU A 13 -6.038 -5.794 -1.678 1.00 0.00 C ATOM 231 C LEU A 13 -6.108 -5.752 -3.199 1.00 0.00 C ATOM 232 O LEU A 13 -5.184 -5.285 -3.859 1.00 0.00 O ATOM 233 CB LEU A 13 -5.547 -7.169 -1.215 1.00 0.00 C ATOM 234 CG LEU A 13 -4.236 -7.171 -0.417 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.607 -8.556 -0.428 1.00 0.00 C ATOM 236 CD2 LEU A 13 -3.256 -6.141 -0.969 1.00 0.00 C ATOM 0 H LEU A 13 -7.775 -6.269 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.331 -5.038 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.325 -7.625 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.419 -7.803 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.470 -6.900 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.678 -8.538 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.295 -9.272 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.396 -8.852 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.336 -6.164 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.031 -6.374 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.700 -5.147 -0.908 1.00 0.00 H new ATOM 248 N ALA A 14 -7.214 -6.243 -3.748 1.00 0.00 N ATOM 249 CA ALA A 14 -7.407 -6.257 -5.192 1.00 0.00 C ATOM 250 C ALA A 14 -7.384 -4.841 -5.755 1.00 0.00 C ATOM 251 O ALA A 14 -6.779 -4.587 -6.795 1.00 0.00 O ATOM 252 CB ALA A 14 -8.716 -6.947 -5.548 1.00 0.00 C ATOM 0 H ALA A 14 -7.989 -6.636 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.585 -6.817 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.844 -6.948 -6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.697 -7.974 -5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.546 -6.413 -5.085 1.00 0.00 H new ATOM 258 N ARG A 15 -8.046 -3.922 -5.059 1.00 0.00 N ATOM 259 CA ARG A 15 -8.096 -2.530 -5.491 1.00 0.00 C ATOM 260 C ARG A 15 -6.711 -1.895 -5.421 1.00 0.00 C ATOM 261 O ARG A 15 -6.231 -1.310 -6.394 1.00 0.00 O ATOM 262 CB ARG A 15 -9.079 -1.739 -4.626 1.00 0.00 C ATOM 263 CG ARG A 15 -9.821 -0.651 -5.385 1.00 0.00 C ATOM 264 CD ARG A 15 -10.806 -1.239 -6.384 1.00 0.00 C ATOM 265 NE ARG A 15 -10.971 -0.384 -7.557 1.00 0.00 N ATOM 266 CZ ARG A 15 -11.819 -0.643 -8.550 1.00 0.00 C ATOM 267 NH1 ARG A 15 -12.581 -1.730 -8.514 1.00 0.00 N ATOM 268 NH2 ARG A 15 -11.906 0.187 -9.580 1.00 0.00 N ATOM 0 H ARG A 15 -8.554 -4.116 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.438 -2.506 -6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.805 -2.428 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.536 -1.286 -3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.354 -0.013 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.104 -0.018 -5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.459 -2.223 -6.699 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.772 -1.381 -5.900 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.403 0.461 -7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.518 -2.371 -7.723 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.229 -1.924 -9.277 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.323 1.024 -9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.556 -0.011 -10.341 1.00 0.00 H new ATOM 282 N LEU A 16 -6.072 -2.017 -4.262 1.00 0.00 N ATOM 283 CA LEU A 16 -4.739 -1.458 -4.061 1.00 0.00 C ATOM 284 C LEU A 16 -3.737 -2.087 -5.024 1.00 0.00 C ATOM 285 O LEU A 16 -2.870 -1.403 -5.567 1.00 0.00 O ATOM 286 CB LEU A 16 -4.285 -1.677 -2.616 1.00 0.00 C ATOM 287 CG LEU A 16 -4.981 -0.790 -1.577 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.567 -1.632 -0.450 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.011 0.246 -1.024 1.00 0.00 C ATOM 0 H LEU A 16 -6.455 -2.498 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.785 -0.387 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.454 -2.721 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.210 -1.504 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.800 -0.267 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.055 -0.981 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.296 -2.331 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.769 -2.188 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.522 0.867 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.169 -0.260 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.646 0.873 -1.837 1.00 0.00 H new ATOM 301 N LYS A 17 -3.866 -3.394 -5.234 1.00 0.00 N ATOM 302 CA LYS A 17 -2.977 -4.116 -6.136 1.00 0.00 C ATOM 303 C LYS A 17 -3.123 -3.596 -7.562 1.00 0.00 C ATOM 304 O LYS A 17 -2.132 -3.379 -8.261 1.00 0.00 O ATOM 305 CB LYS A 17 -3.277 -5.616 -6.095 1.00 0.00 C ATOM 306 CG LYS A 17 -2.430 -6.379 -5.088 1.00 0.00 C ATOM 307 CD LYS A 17 -1.762 -7.590 -5.720 1.00 0.00 C ATOM 308 CE LYS A 17 -1.796 -8.793 -4.791 1.00 0.00 C ATOM 309 NZ LYS A 17 -1.835 -10.076 -5.545 1.00 0.00 N ATOM 0 H LYS A 17 -4.578 -3.974 -4.791 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.951 -3.952 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.330 -5.761 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.115 -6.038 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.669 -5.717 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.056 -6.701 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.264 -7.837 -6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.728 -7.349 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.918 -8.778 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.670 -8.726 -4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.857 -10.872 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.686 -10.102 -6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.989 -10.152 -6.145 1.00 0.00 H new ATOM 323 N ARG A 18 -4.368 -3.394 -7.985 1.00 0.00 N ATOM 324 CA ARG A 18 -4.647 -2.894 -9.325 1.00 0.00 C ATOM 325 C ARG A 18 -4.008 -1.526 -9.526 1.00 0.00 C ATOM 326 O ARG A 18 -3.421 -1.251 -10.573 1.00 0.00 O ATOM 327 CB ARG A 18 -6.156 -2.807 -9.557 1.00 0.00 C ATOM 328 CG ARG A 18 -6.794 -4.137 -9.926 1.00 0.00 C ATOM 329 CD ARG A 18 -6.490 -4.522 -11.365 1.00 0.00 C ATOM 330 NE ARG A 18 -7.691 -4.934 -12.088 1.00 0.00 N ATOM 331 CZ ARG A 18 -8.316 -6.092 -11.890 1.00 0.00 C ATOM 332 NH1 ARG A 18 -7.861 -6.953 -10.988 1.00 0.00 N ATOM 333 NH2 ARG A 18 -9.400 -6.389 -12.593 1.00 0.00 N ATOM 0 H ARG A 18 -5.198 -3.569 -7.419 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.220 -3.589 -10.048 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.632 -2.423 -8.655 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.352 -2.087 -10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.429 -4.915 -9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.873 -4.075 -9.785 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.031 -3.676 -11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.763 -5.334 -11.377 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.073 -4.296 -12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.029 -6.728 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.344 -7.839 -10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.755 -5.730 -13.286 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.879 -7.277 -12.441 1.00 0.00 H new ATOM 347 N GLU A 19 -4.121 -0.673 -8.513 1.00 0.00 N ATOM 348 CA GLU A 19 -3.547 0.664 -8.576 1.00 0.00 C ATOM 349 C GLU A 19 -2.024 0.594 -8.596 1.00 0.00 C ATOM 350 O GLU A 19 -1.364 1.405 -9.245 1.00 0.00 O ATOM 351 CB GLU A 19 -4.016 1.504 -7.386 1.00 0.00 C ATOM 352 CG GLU A 19 -4.248 2.966 -7.727 1.00 0.00 C ATOM 353 CD GLU A 19 -5.514 3.516 -7.102 1.00 0.00 C ATOM 354 OE1 GLU A 19 -5.921 3.007 -6.037 1.00 0.00 O ATOM 355 OE2 GLU A 19 -6.100 4.458 -7.678 1.00 0.00 O ATOM 0 H GLU A 19 -4.604 -0.885 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.887 1.137 -9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.941 1.080 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.273 1.439 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.395 3.554 -7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.303 3.078 -8.810 1.00 0.00 H new ATOM 362 N PHE A 20 -1.475 -0.383 -7.881 1.00 0.00 N ATOM 363 CA PHE A 20 -0.030 -0.562 -7.818 1.00 0.00 C ATOM 364 C PHE A 20 0.531 -0.939 -9.185 1.00 0.00 C ATOM 365 O PHE A 20 1.607 -0.482 -9.573 1.00 0.00 O ATOM 366 CB PHE A 20 0.332 -1.636 -6.792 1.00 0.00 C ATOM 367 CG PHE A 20 1.806 -1.731 -6.523 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.622 -2.506 -7.331 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.377 -1.042 -5.465 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.980 -2.594 -7.088 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.734 -1.127 -5.218 1.00 0.00 C ATOM 372 CZ PHE A 20 4.536 -1.904 -6.030 1.00 0.00 C ATOM 0 H PHE A 20 -2.009 -1.062 -7.338 1.00 0.00 H new ATOM 0 HA PHE A 20 0.413 0.385 -7.510 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.187 -1.425 -5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.028 -2.602 -7.146 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.192 -3.048 -8.160 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.755 -0.432 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.605 -3.202 -7.725 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.167 -0.586 -4.390 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.597 -1.972 -5.838 1.00 0.00 H new ATOM 382 N ASN A 21 -0.204 -1.775 -9.913 1.00 0.00 N ATOM 383 CA ASN A 21 0.225 -2.207 -11.238 1.00 0.00 C ATOM 384 C ASN A 21 0.322 -1.015 -12.184 1.00 0.00 C ATOM 385 O ASN A 21 1.161 -0.990 -13.085 1.00 0.00 O ATOM 386 CB ASN A 21 -0.746 -3.246 -11.801 1.00 0.00 C ATOM 387 CG ASN A 21 -0.333 -4.665 -11.463 1.00 0.00 C ATOM 388 OD1 ASN A 21 -0.593 -5.155 -10.364 1.00 0.00 O ATOM 389 ND2 ASN A 21 0.316 -5.333 -12.409 1.00 0.00 N ATOM 0 H ASN A 21 -1.096 -2.165 -9.609 1.00 0.00 H new ATOM 0 HA ASN A 21 1.212 -2.661 -11.147 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.745 -3.057 -11.407 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.805 -3.136 -12.884 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.620 -6.292 -12.239 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.510 -4.888 -13.306 1.00 0.00 H new ATOM 396 N GLU A 22 -0.534 -0.024 -11.963 1.00 0.00 N ATOM 397 CA GLU A 22 -0.540 1.180 -12.785 1.00 0.00 C ATOM 398 C GLU A 22 0.520 2.158 -12.293 1.00 0.00 C ATOM 399 O GLU A 22 1.136 2.875 -13.080 1.00 0.00 O ATOM 400 CB GLU A 22 -1.917 1.843 -12.744 1.00 0.00 C ATOM 401 CG GLU A 22 -2.943 1.170 -13.643 1.00 0.00 C ATOM 402 CD GLU A 22 -4.236 0.851 -12.917 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.775 1.752 -12.241 1.00 0.00 O ATOM 404 OE2 GLU A 22 -4.709 -0.300 -13.026 1.00 0.00 O ATOM 0 H GLU A 22 -1.233 -0.031 -11.221 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.314 0.899 -13.814 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.285 1.835 -11.718 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.817 2.888 -13.039 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.158 1.819 -14.492 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.520 0.249 -14.045 1.00 0.00 H new ATOM 411 N ASN A 23 0.725 2.173 -10.981 1.00 0.00 N ATOM 412 CA ASN A 23 1.710 3.052 -10.365 1.00 0.00 C ATOM 413 C ASN A 23 2.150 2.499 -9.014 1.00 0.00 C ATOM 414 O ASN A 23 1.347 2.387 -8.088 1.00 0.00 O ATOM 415 CB ASN A 23 1.136 4.458 -10.191 1.00 0.00 C ATOM 416 CG ASN A 23 2.187 5.536 -10.374 1.00 0.00 C ATOM 417 OD1 ASN A 23 2.641 6.112 -9.268 1.00 0.00 O flip ATOM 418 ND2 ASN A 23 2.586 5.845 -11.496 1.00 0.00 N flip ATOM 0 H ASN A 23 0.219 1.583 -10.321 1.00 0.00 H new ATOM 0 HA ASN A 23 2.578 3.105 -11.022 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.332 4.611 -10.911 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.696 4.548 -9.198 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.208 5.375 -12.319 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.294 6.571 -11.603 1.00 0.00 H new ATOM 425 N ARG A 24 3.429 2.153 -8.909 1.00 0.00 N ATOM 426 CA ARG A 24 3.979 1.607 -7.672 1.00 0.00 C ATOM 427 C ARG A 24 4.128 2.685 -6.596 1.00 0.00 C ATOM 428 O ARG A 24 4.512 2.390 -5.464 1.00 0.00 O ATOM 429 CB ARG A 24 5.335 0.951 -7.941 1.00 0.00 C ATOM 430 CG ARG A 24 5.310 -0.055 -9.081 1.00 0.00 C ATOM 431 CD ARG A 24 6.335 -1.159 -8.872 1.00 0.00 C ATOM 432 NE ARG A 24 6.288 -2.161 -9.938 1.00 0.00 N ATOM 433 CZ ARG A 24 7.140 -2.206 -10.962 1.00 0.00 C ATOM 434 NH1 ARG A 24 8.106 -1.302 -11.080 1.00 0.00 N ATOM 435 NH2 ARG A 24 7.022 -3.158 -11.877 1.00 0.00 N ATOM 0 H ARG A 24 4.106 2.241 -9.667 1.00 0.00 H new ATOM 0 HA ARG A 24 3.279 0.857 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.066 1.727 -8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.673 0.451 -7.034 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.314 -0.492 -9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.510 0.456 -10.023 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.333 -0.723 -8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.156 -1.643 -7.912 1.00 0.00 H new ATOM 0 HE ARG A 24 5.556 -2.870 -9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.201 -0.564 -10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.752 -1.346 -11.868 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.280 -3.854 -11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.673 -3.195 -12.662 1.00 0.00 H new ATOM 449 N TYR A 25 3.829 3.933 -6.949 1.00 0.00 N ATOM 450 CA TYR A 25 3.938 5.042 -6.009 1.00 0.00 C ATOM 451 C TYR A 25 2.560 5.498 -5.540 1.00 0.00 C ATOM 452 O TYR A 25 1.541 4.929 -5.929 1.00 0.00 O ATOM 453 CB TYR A 25 4.676 6.214 -6.655 1.00 0.00 C ATOM 454 CG TYR A 25 6.178 6.054 -6.669 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.788 5.104 -7.477 1.00 0.00 C ATOM 456 CD2 TYR A 25 6.987 6.856 -5.874 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.161 4.955 -7.492 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.362 6.714 -5.884 1.00 0.00 C ATOM 459 CZ TYR A 25 8.943 5.762 -6.694 1.00 0.00 C ATOM 460 OH TYR A 25 10.312 5.617 -6.707 1.00 0.00 O ATOM 0 H TYR A 25 3.509 4.200 -7.880 1.00 0.00 H new ATOM 0 HA TYR A 25 4.502 4.694 -5.143 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.323 6.334 -7.679 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.422 7.130 -6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.178 4.471 -8.105 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.534 7.602 -5.238 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.619 4.210 -8.126 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.978 7.345 -5.261 1.00 0.00 H new ATOM 0 HH TYR A 25 10.715 6.262 -6.090 1.00 0.00 H new ATOM 470 N LEU A 26 2.540 6.532 -4.706 1.00 0.00 N ATOM 471 CA LEU A 26 1.288 7.073 -4.189 1.00 0.00 C ATOM 472 C LEU A 26 1.379 8.586 -4.025 1.00 0.00 C ATOM 473 O LEU A 26 2.428 9.188 -4.252 1.00 0.00 O ATOM 474 CB LEU A 26 0.938 6.433 -2.838 1.00 0.00 C ATOM 475 CG LEU A 26 0.001 5.217 -2.882 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.533 4.926 -1.488 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.163 5.435 -3.839 1.00 0.00 C ATOM 0 H LEU A 26 3.376 7.012 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 26 0.503 6.840 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.866 6.132 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.480 7.195 -2.207 1.00 0.00 H new ATOM 0 HG LEU A 26 0.579 4.367 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.197 4.062 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.299 4.715 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.084 5.792 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.802 4.552 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.741 6.301 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.780 5.608 -4.845 1.00 0.00 H new ATOM 489 N THR A 27 0.269 9.187 -3.618 1.00 0.00 N ATOM 490 CA THR A 27 0.198 10.628 -3.407 1.00 0.00 C ATOM 491 C THR A 27 -0.749 10.935 -2.257 1.00 0.00 C ATOM 492 O THR A 27 -1.524 10.076 -1.845 1.00 0.00 O ATOM 493 CB THR A 27 -0.289 11.337 -4.675 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.686 11.170 -4.834 1.00 0.00 O ATOM 495 CG2 THR A 27 0.379 10.844 -5.942 1.00 0.00 C ATOM 0 H THR A 27 -0.603 8.694 -3.426 1.00 0.00 H new ATOM 0 HA THR A 27 1.197 10.991 -3.165 1.00 0.00 H new ATOM 0 HB THR A 27 -0.025 12.385 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.980 11.631 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.016 11.391 -6.798 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.455 11.006 -5.873 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.179 9.780 -6.068 1.00 0.00 H new ATOM 503 N GLU A 28 -0.695 12.156 -1.739 1.00 0.00 N ATOM 504 CA GLU A 28 -1.572 12.543 -0.640 1.00 0.00 C ATOM 505 C GLU A 28 -3.032 12.321 -1.025 1.00 0.00 C ATOM 506 O GLU A 28 -3.788 11.679 -0.296 1.00 0.00 O ATOM 507 CB GLU A 28 -1.344 14.007 -0.259 1.00 0.00 C ATOM 508 CG GLU A 28 0.095 14.325 0.112 1.00 0.00 C ATOM 509 CD GLU A 28 0.198 15.300 1.268 1.00 0.00 C ATOM 510 OE1 GLU A 28 0.053 16.519 1.032 1.00 0.00 O ATOM 511 OE2 GLU A 28 0.423 14.847 2.409 1.00 0.00 O ATOM 0 H GLU A 28 -0.061 12.888 -2.058 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.337 11.920 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.643 14.641 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.991 14.259 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.611 13.401 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.606 14.741 -0.756 1.00 0.00 H new ATOM 518 N ARG A 29 -3.413 12.849 -2.183 1.00 0.00 N ATOM 519 CA ARG A 29 -4.774 12.707 -2.681 1.00 0.00 C ATOM 520 C ARG A 29 -5.139 11.237 -2.874 1.00 0.00 C ATOM 521 O ARG A 29 -6.280 10.836 -2.643 1.00 0.00 O ATOM 522 CB ARG A 29 -4.937 13.457 -4.005 1.00 0.00 C ATOM 523 CG ARG A 29 -4.695 14.953 -3.895 1.00 0.00 C ATOM 524 CD ARG A 29 -5.691 15.613 -2.953 1.00 0.00 C ATOM 525 NE ARG A 29 -7.065 15.502 -3.441 1.00 0.00 N ATOM 526 CZ ARG A 29 -8.021 16.394 -3.187 1.00 0.00 C ATOM 527 NH1 ARG A 29 -7.763 17.466 -2.445 1.00 0.00 N ATOM 528 NH2 ARG A 29 -9.240 16.213 -3.674 1.00 0.00 N ATOM 0 H ARG A 29 -2.795 13.381 -2.796 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.447 13.136 -1.939 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.245 13.039 -4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.944 13.288 -4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.681 15.133 -3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.771 15.408 -4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.618 15.152 -1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.433 16.665 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.306 14.691 -4.011 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.827 17.610 -2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.501 18.144 -2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.445 15.391 -4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.973 16.895 -3.480 1.00 0.00 H new ATOM 542 N ARG A 30 -4.166 10.438 -3.309 1.00 0.00 N ATOM 543 CA ARG A 30 -4.391 9.017 -3.543 1.00 0.00 C ATOM 544 C ARG A 30 -4.577 8.265 -2.229 1.00 0.00 C ATOM 545 O ARG A 30 -5.516 7.484 -2.078 1.00 0.00 O ATOM 546 CB ARG A 30 -3.223 8.421 -4.331 1.00 0.00 C ATOM 547 CG ARG A 30 -3.653 7.460 -5.428 1.00 0.00 C ATOM 548 CD ARG A 30 -2.528 7.202 -6.419 1.00 0.00 C ATOM 549 NE ARG A 30 -2.556 8.140 -7.540 1.00 0.00 N ATOM 550 CZ ARG A 30 -2.126 7.848 -8.768 1.00 0.00 C ATOM 551 NH1 ARG A 30 -1.626 6.650 -9.041 1.00 0.00 N ATOM 552 NH2 ARG A 30 -2.194 8.763 -9.726 1.00 0.00 N ATOM 0 H ARG A 30 -3.216 10.752 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.306 8.911 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.645 9.231 -4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.560 7.898 -3.641 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.970 6.517 -4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.515 7.870 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.569 7.279 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.606 6.183 -6.798 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.927 9.075 -7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.568 5.943 -8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.300 6.436 -9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.574 9.687 -9.522 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.866 8.542 -10.666 1.00 0.00 H new ATOM 566 N ARG A 31 -3.680 8.507 -1.280 1.00 0.00 N ATOM 567 CA ARG A 31 -3.750 7.852 0.020 1.00 0.00 C ATOM 568 C ARG A 31 -5.072 8.169 0.710 1.00 0.00 C ATOM 569 O ARG A 31 -5.746 7.277 1.227 1.00 0.00 O ATOM 570 CB ARG A 31 -2.582 8.296 0.902 1.00 0.00 C ATOM 571 CG ARG A 31 -2.011 7.182 1.765 1.00 0.00 C ATOM 572 CD ARG A 31 -0.511 7.341 1.950 1.00 0.00 C ATOM 573 NE ARG A 31 -0.156 8.689 2.393 1.00 0.00 N ATOM 574 CZ ARG A 31 0.878 9.384 1.921 1.00 0.00 C ATOM 575 NH1 ARG A 31 1.677 8.866 0.995 1.00 0.00 N ATOM 576 NH2 ARG A 31 1.117 10.605 2.380 1.00 0.00 N ATOM 0 H ARG A 31 -2.897 9.151 -1.387 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.687 6.775 -0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.790 8.695 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.914 9.110 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.502 7.185 2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.223 6.217 1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.156 6.614 2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.004 7.122 1.010 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.737 9.125 3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.502 7.927 0.638 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.466 9.407 0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.510 11.010 3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.908 11.139 2.020 1.00 0.00 H new ATOM 590 N GLN A 32 -5.437 9.447 0.709 1.00 0.00 N ATOM 591 CA GLN A 32 -6.678 9.890 1.331 1.00 0.00 C ATOM 592 C GLN A 32 -7.885 9.356 0.566 1.00 0.00 C ATOM 593 O GLN A 32 -8.912 9.026 1.159 1.00 0.00 O ATOM 594 CB GLN A 32 -6.730 11.418 1.386 1.00 0.00 C ATOM 595 CG GLN A 32 -7.880 11.960 2.218 1.00 0.00 C ATOM 596 CD GLN A 32 -8.356 13.317 1.740 1.00 0.00 C ATOM 597 OE1 GLN A 32 -7.768 14.347 2.072 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.427 13.326 0.955 1.00 0.00 N ATOM 0 H GLN A 32 -4.889 10.195 0.283 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.708 9.497 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.791 11.790 1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.813 11.807 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.711 11.255 2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.567 12.035 3.259 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.883 12.449 0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.793 14.210 0.602 1.00 0.00 H new ATOM 607 N GLN A 33 -7.752 9.269 -0.754 1.00 0.00 N ATOM 608 CA GLN A 33 -8.829 8.770 -1.598 1.00 0.00 C ATOM 609 C GLN A 33 -9.079 7.292 -1.328 1.00 0.00 C ATOM 610 O GLN A 33 -10.210 6.881 -1.067 1.00 0.00 O ATOM 611 CB GLN A 33 -8.495 8.986 -3.074 1.00 0.00 C ATOM 612 CG GLN A 33 -8.842 10.377 -3.580 1.00 0.00 C ATOM 613 CD GLN A 33 -10.019 10.375 -4.537 1.00 0.00 C ATOM 614 OE1 GLN A 33 -9.863 10.117 -5.730 1.00 0.00 O ATOM 615 NE2 GLN A 33 -11.206 10.663 -4.016 1.00 0.00 N ATOM 0 H GLN A 33 -6.909 9.538 -1.261 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.736 9.326 -1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.430 8.808 -3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.030 8.247 -3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.070 11.021 -2.731 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.973 10.805 -4.080 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.289 10.871 -3.021 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.034 10.676 -4.611 1.00 0.00 H new ATOM 624 N LEU A 34 -8.016 6.496 -1.382 1.00 0.00 N ATOM 625 CA LEU A 34 -8.124 5.065 -1.131 1.00 0.00 C ATOM 626 C LEU A 34 -8.546 4.812 0.313 1.00 0.00 C ATOM 627 O LEU A 34 -9.287 3.873 0.602 1.00 0.00 O ATOM 628 CB LEU A 34 -6.790 4.370 -1.417 1.00 0.00 C ATOM 629 CG LEU A 34 -6.653 3.778 -2.822 1.00 0.00 C ATOM 630 CD1 LEU A 34 -6.040 4.794 -3.775 1.00 0.00 C ATOM 631 CD2 LEU A 34 -5.814 2.508 -2.785 1.00 0.00 C ATOM 0 H LEU A 34 -7.072 6.818 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.882 4.654 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.984 5.087 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.651 3.572 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.649 3.524 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.951 4.354 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.678 5.677 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.052 5.080 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.727 2.100 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.821 2.739 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.293 1.774 -2.137 1.00 0.00 H new ATOM 643 N SER A 35 -8.069 5.665 1.213 1.00 0.00 N ATOM 644 CA SER A 35 -8.394 5.551 2.629 1.00 0.00 C ATOM 645 C SER A 35 -9.898 5.679 2.844 1.00 0.00 C ATOM 646 O SER A 35 -10.509 4.868 3.536 1.00 0.00 O ATOM 647 CB SER A 35 -7.653 6.628 3.428 1.00 0.00 C ATOM 648 OG SER A 35 -8.363 6.979 4.604 1.00 0.00 O ATOM 0 H SER A 35 -7.454 6.446 0.985 1.00 0.00 H new ATOM 0 HA SER A 35 -8.076 4.569 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.660 6.267 3.695 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.514 7.513 2.807 1.00 0.00 H new ATOM 0 HG SER A 35 -8.026 6.453 5.359 1.00 0.00 H new ATOM 654 N SER A 36 -10.480 6.714 2.251 1.00 0.00 N ATOM 655 CA SER A 36 -11.913 6.964 2.371 1.00 0.00 C ATOM 656 C SER A 36 -12.732 5.926 1.606 1.00 0.00 C ATOM 657 O SER A 36 -13.720 5.401 2.118 1.00 0.00 O ATOM 658 CB SER A 36 -12.247 8.368 1.859 1.00 0.00 C ATOM 659 OG SER A 36 -11.937 9.352 2.830 1.00 0.00 O ATOM 0 H SER A 36 -9.981 7.396 1.680 1.00 0.00 H new ATOM 0 HA SER A 36 -12.175 6.888 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.689 8.567 0.944 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.306 8.424 1.605 1.00 0.00 H new ATOM 0 HG SER A 36 -12.158 10.240 2.478 1.00 0.00 H new ATOM 665 N GLU A 37 -12.325 5.653 0.370 1.00 0.00 N ATOM 666 CA GLU A 37 -13.028 4.696 -0.482 1.00 0.00 C ATOM 667 C GLU A 37 -13.011 3.286 0.104 1.00 0.00 C ATOM 668 O GLU A 37 -14.038 2.607 0.129 1.00 0.00 O ATOM 669 CB GLU A 37 -12.410 4.682 -1.880 1.00 0.00 C ATOM 670 CG GLU A 37 -13.246 3.936 -2.906 1.00 0.00 C ATOM 671 CD GLU A 37 -12.401 3.124 -3.868 1.00 0.00 C ATOM 672 OE1 GLU A 37 -11.808 3.724 -4.790 1.00 0.00 O ATOM 673 OE2 GLU A 37 -12.332 1.888 -3.700 1.00 0.00 O ATOM 0 H GLU A 37 -11.509 6.082 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.068 5.018 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.269 5.709 -2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.422 4.225 -1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.941 3.273 -2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.846 4.651 -3.469 1.00 0.00 H new ATOM 680 N LEU A 38 -11.846 2.843 0.561 1.00 0.00 N ATOM 681 CA LEU A 38 -11.712 1.504 1.127 1.00 0.00 C ATOM 682 C LEU A 38 -12.084 1.488 2.606 1.00 0.00 C ATOM 683 O LEU A 38 -12.880 0.658 3.047 1.00 0.00 O ATOM 684 CB LEU A 38 -10.282 0.992 0.942 1.00 0.00 C ATOM 685 CG LEU A 38 -9.865 0.750 -0.510 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.377 1.009 -0.688 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.216 -0.667 -0.936 1.00 0.00 C ATOM 0 H LEU A 38 -10.984 3.387 0.552 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.401 0.846 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.594 1.711 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.171 0.060 1.496 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.413 1.445 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.099 0.832 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.153 2.043 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.811 0.338 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.912 -0.821 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.696 -1.379 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.292 -0.818 -0.847 1.00 0.00 H new ATOM 699 N GLY A 39 -11.507 2.409 3.367 1.00 0.00 N ATOM 700 CA GLY A 39 -11.790 2.483 4.789 1.00 0.00 C ATOM 701 C GLY A 39 -10.579 2.156 5.638 1.00 0.00 C ATOM 702 O GLY A 39 -10.673 1.391 6.598 1.00 0.00 O ATOM 0 H GLY A 39 -10.847 3.108 3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.142 3.485 5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.598 1.793 5.032 1.00 0.00 H new ATOM 706 N LEU A 40 -9.436 2.733 5.281 1.00 0.00 N ATOM 707 CA LEU A 40 -8.197 2.496 6.015 1.00 0.00 C ATOM 708 C LEU A 40 -7.444 3.803 6.243 1.00 0.00 C ATOM 709 O LEU A 40 -7.736 4.816 5.610 1.00 0.00 O ATOM 710 CB LEU A 40 -7.311 1.509 5.254 1.00 0.00 C ATOM 711 CG LEU A 40 -8.002 0.208 4.832 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.692 -0.117 3.376 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.585 -0.940 5.740 1.00 0.00 C ATOM 0 H LEU A 40 -9.342 3.368 4.488 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.452 2.070 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.926 2.003 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.452 1.260 5.877 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.079 0.346 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.192 -1.044 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.047 0.693 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.615 -0.233 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.087 -1.855 5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.506 -1.078 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.864 -0.710 6.768 1.00 0.00 H new ATOM 725 N ASN A 41 -6.474 3.774 7.153 1.00 0.00 N ATOM 726 CA ASN A 41 -5.684 4.961 7.459 1.00 0.00 C ATOM 727 C ASN A 41 -4.588 5.170 6.419 1.00 0.00 C ATOM 728 O ASN A 41 -3.951 4.215 5.967 1.00 0.00 O ATOM 729 CB ASN A 41 -5.070 4.856 8.858 1.00 0.00 C ATOM 730 CG ASN A 41 -4.403 3.518 9.105 1.00 0.00 C ATOM 731 OD1 ASN A 41 -5.001 2.464 8.887 1.00 0.00 O ATOM 732 ND2 ASN A 41 -3.157 3.553 9.564 1.00 0.00 N ATOM 0 H ASN A 41 -6.218 2.945 7.689 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.352 5.822 7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.337 5.652 8.989 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.848 5.013 9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.657 2.683 9.750 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.700 4.449 9.730 1.00 0.00 H new ATOM 739 N GLU A 42 -4.374 6.427 6.042 1.00 0.00 N ATOM 740 CA GLU A 42 -3.358 6.774 5.052 1.00 0.00 C ATOM 741 C GLU A 42 -2.012 6.147 5.403 1.00 0.00 C ATOM 742 O GLU A 42 -1.266 5.721 4.521 1.00 0.00 O ATOM 743 CB GLU A 42 -3.217 8.294 4.951 1.00 0.00 C ATOM 744 CG GLU A 42 -4.494 8.994 4.516 1.00 0.00 C ATOM 745 CD GLU A 42 -4.241 10.391 3.980 1.00 0.00 C ATOM 746 OE1 GLU A 42 -3.207 10.590 3.308 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.076 11.284 4.234 1.00 0.00 O ATOM 0 H GLU A 42 -4.892 7.225 6.408 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.677 6.379 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.908 8.687 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.423 8.531 4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.987 8.398 3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.178 9.052 5.362 1.00 0.00 H new ATOM 754 N ALA A 43 -1.708 6.092 6.695 1.00 0.00 N ATOM 755 CA ALA A 43 -0.453 5.515 7.160 1.00 0.00 C ATOM 756 C ALA A 43 -0.360 4.037 6.795 1.00 0.00 C ATOM 757 O ALA A 43 0.705 3.546 6.416 1.00 0.00 O ATOM 758 CB ALA A 43 -0.311 5.702 8.663 1.00 0.00 C ATOM 0 H ALA A 43 -2.314 6.440 7.438 1.00 0.00 H new ATOM 0 HA ALA A 43 0.365 6.036 6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.631 5.266 8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.323 6.766 8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.139 5.208 9.171 1.00 0.00 H new ATOM 764 N GLN A 44 -1.481 3.330 6.903 1.00 0.00 N ATOM 765 CA GLN A 44 -1.516 1.908 6.579 1.00 0.00 C ATOM 766 C GLN A 44 -1.348 1.702 5.081 1.00 0.00 C ATOM 767 O GLN A 44 -0.641 0.793 4.645 1.00 0.00 O ATOM 768 CB GLN A 44 -2.829 1.281 7.051 1.00 0.00 C ATOM 769 CG GLN A 44 -2.675 0.401 8.282 1.00 0.00 C ATOM 770 CD GLN A 44 -1.929 -0.886 7.989 1.00 0.00 C ATOM 771 OE1 GLN A 44 -2.280 -1.626 7.071 1.00 0.00 O ATOM 772 NE2 GLN A 44 -0.890 -1.158 8.772 1.00 0.00 N ATOM 0 H GLN A 44 -2.373 3.716 7.211 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.691 1.419 7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.543 2.075 7.269 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.250 0.687 6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.145 0.956 9.056 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.662 0.162 8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.634 -0.515 9.522 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.348 -2.009 8.623 1.00 0.00 H new ATOM 781 N ILE A 45 -1.990 2.558 4.296 1.00 0.00 N ATOM 782 CA ILE A 45 -1.893 2.471 2.846 1.00 0.00 C ATOM 783 C ILE A 45 -0.461 2.741 2.400 1.00 0.00 C ATOM 784 O ILE A 45 0.078 2.041 1.543 1.00 0.00 O ATOM 785 CB ILE A 45 -2.835 3.474 2.150 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.254 3.348 2.707 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.829 3.249 0.646 1.00 0.00 C ATOM 788 CD1 ILE A 45 -4.991 4.668 2.780 1.00 0.00 C ATOM 0 H ILE A 45 -2.580 3.316 4.637 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.191 1.462 2.560 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.476 4.484 2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.821 2.658 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.207 2.911 3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.499 3.964 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.818 3.386 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.166 2.235 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.990 4.505 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.445 5.354 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.069 5.097 1.781 1.00 0.00 H new ATOM 800 N LYS A 46 0.149 3.759 2.999 1.00 0.00 N ATOM 801 CA LYS A 46 1.523 4.125 2.680 1.00 0.00 C ATOM 802 C LYS A 46 2.468 2.956 2.939 1.00 0.00 C ATOM 803 O LYS A 46 3.326 2.644 2.113 1.00 0.00 O ATOM 804 CB LYS A 46 1.952 5.340 3.507 1.00 0.00 C ATOM 805 CG LYS A 46 2.569 6.453 2.676 1.00 0.00 C ATOM 806 CD LYS A 46 4.015 6.710 3.070 1.00 0.00 C ATOM 807 CE LYS A 46 4.574 7.938 2.369 1.00 0.00 C ATOM 808 NZ LYS A 46 5.415 7.571 1.195 1.00 0.00 N ATOM 0 H LYS A 46 -0.288 4.346 3.709 1.00 0.00 H new ATOM 0 HA LYS A 46 1.572 4.380 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.085 5.732 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.670 5.020 4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.521 6.189 1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.989 7.367 2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.081 6.845 4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.621 5.839 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.752 8.575 2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.168 8.520 3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.778 8.435 0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.213 6.984 1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.842 7.038 0.510 1.00 0.00 H new ATOM 822 N ILE A 47 2.304 2.311 4.092 1.00 0.00 N ATOM 823 CA ILE A 47 3.145 1.175 4.454 1.00 0.00 C ATOM 824 C ILE A 47 2.973 0.028 3.463 1.00 0.00 C ATOM 825 O ILE A 47 3.946 -0.612 3.067 1.00 0.00 O ATOM 826 CB ILE A 47 2.828 0.669 5.877 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.979 1.803 6.892 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.737 -0.497 6.245 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.084 1.653 8.103 1.00 0.00 C ATOM 0 H ILE A 47 1.599 2.555 4.788 1.00 0.00 H new ATOM 0 HA ILE A 47 4.178 1.523 4.426 1.00 0.00 H new ATOM 0 HB ILE A 47 1.795 0.320 5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.017 1.850 7.221 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.757 2.751 6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.499 -0.840 7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.586 -1.313 5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.777 -0.173 6.209 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.244 2.492 8.780 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.041 1.637 7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.321 0.722 8.617 1.00 0.00 H new ATOM 841 N TRP A 48 1.730 -0.228 3.066 1.00 0.00 N ATOM 842 CA TRP A 48 1.438 -1.300 2.121 1.00 0.00 C ATOM 843 C TRP A 48 2.146 -1.063 0.792 1.00 0.00 C ATOM 844 O TRP A 48 2.788 -1.963 0.250 1.00 0.00 O ATOM 845 CB TRP A 48 -0.071 -1.415 1.893 1.00 0.00 C ATOM 846 CG TRP A 48 -0.451 -2.571 1.018 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.691 -3.855 1.415 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.631 -2.550 -0.403 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.010 -4.633 0.329 1.00 0.00 N ATOM 850 CE2 TRP A 48 -0.979 -3.855 -0.799 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.531 -1.553 -1.379 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.229 -4.189 -2.129 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.779 -1.886 -2.697 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.125 -3.193 -3.061 1.00 0.00 C ATOM 0 H TRP A 48 0.911 0.291 3.383 1.00 0.00 H new ATOM 0 HA TRP A 48 1.806 -2.233 2.548 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.570 -1.518 2.856 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.435 -0.492 1.442 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.638 -4.208 2.434 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.234 -5.628 0.357 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.265 -0.542 -1.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.495 -5.196 -2.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.705 -1.125 -3.460 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.314 -3.420 -4.100 1.00 0.00 H new ATOM 865 N PHE A 49 2.026 0.153 0.272 1.00 0.00 N ATOM 866 CA PHE A 49 2.657 0.506 -0.993 1.00 0.00 C ATOM 867 C PHE A 49 4.175 0.431 -0.878 1.00 0.00 C ATOM 868 O PHE A 49 4.850 -0.095 -1.764 1.00 0.00 O ATOM 869 CB PHE A 49 2.230 1.911 -1.426 1.00 0.00 C ATOM 870 CG PHE A 49 1.272 1.915 -2.582 1.00 0.00 C ATOM 871 CD1 PHE A 49 1.741 1.915 -3.885 1.00 0.00 C ATOM 872 CD2 PHE A 49 -0.096 1.916 -2.366 1.00 0.00 C ATOM 873 CE1 PHE A 49 0.864 1.916 -4.952 1.00 0.00 C ATOM 874 CE2 PHE A 49 -0.979 1.917 -3.430 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.498 1.917 -4.724 1.00 0.00 C ATOM 0 H PHE A 49 1.498 0.910 0.707 1.00 0.00 H new ATOM 0 HA PHE A 49 2.332 -0.210 -1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.768 2.419 -0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.116 2.485 -1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.805 1.914 -4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.477 1.916 -1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.243 1.916 -5.963 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.044 1.918 -3.249 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.186 1.918 -5.557 1.00 0.00 H new ATOM 885 N GLN A 50 4.705 0.956 0.220 1.00 0.00 N ATOM 886 CA GLN A 50 6.143 0.947 0.455 1.00 0.00 C ATOM 887 C GLN A 50 6.666 -0.481 0.573 1.00 0.00 C ATOM 888 O GLN A 50 7.724 -0.812 0.035 1.00 0.00 O ATOM 889 CB GLN A 50 6.479 1.732 1.724 1.00 0.00 C ATOM 890 CG GLN A 50 7.963 2.014 1.891 1.00 0.00 C ATOM 891 CD GLN A 50 8.233 3.368 2.517 1.00 0.00 C ATOM 892 OE1 GLN A 50 8.225 4.392 1.834 1.00 0.00 O ATOM 893 NE2 GLN A 50 8.473 3.379 3.823 1.00 0.00 N ATOM 0 H GLN A 50 4.159 1.394 0.962 1.00 0.00 H new ATOM 0 HA GLN A 50 6.628 1.423 -0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.937 2.678 1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.124 1.174 2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.409 1.236 2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.450 1.965 0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.470 2.505 4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.661 4.261 4.300 1.00 0.00 H new ATOM 902 N ASN A 51 5.920 -1.325 1.280 1.00 0.00 N ATOM 903 CA ASN A 51 6.311 -2.717 1.467 1.00 0.00 C ATOM 904 C ASN A 51 6.217 -3.488 0.154 1.00 0.00 C ATOM 905 O ASN A 51 7.035 -4.366 -0.123 1.00 0.00 O ATOM 906 CB ASN A 51 5.427 -3.379 2.528 1.00 0.00 C ATOM 907 CG ASN A 51 6.185 -3.676 3.807 1.00 0.00 C ATOM 908 OD1 ASN A 51 7.082 -4.519 3.830 1.00 0.00 O ATOM 909 ND2 ASN A 51 5.827 -2.983 4.882 1.00 0.00 N ATOM 0 H ASN A 51 5.042 -1.069 1.732 1.00 0.00 H new ATOM 0 HA ASN A 51 7.347 -2.737 1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.583 -2.727 2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.016 -4.306 2.128 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.301 -3.140 5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.078 -2.294 4.818 1.00 0.00 H new ATOM 916 N LYS A 52 5.213 -3.154 -0.651 1.00 0.00 N ATOM 917 CA LYS A 52 5.010 -3.816 -1.934 1.00 0.00 C ATOM 918 C LYS A 52 6.135 -3.473 -2.908 1.00 0.00 C ATOM 919 O LYS A 52 6.478 -4.271 -3.779 1.00 0.00 O ATOM 920 CB LYS A 52 3.659 -3.412 -2.529 1.00 0.00 C ATOM 921 CG LYS A 52 2.876 -4.581 -3.108 1.00 0.00 C ATOM 922 CD LYS A 52 2.274 -4.234 -4.461 1.00 0.00 C ATOM 923 CE LYS A 52 1.203 -5.234 -4.868 1.00 0.00 C ATOM 924 NZ LYS A 52 1.746 -6.616 -4.982 1.00 0.00 N ATOM 0 H LYS A 52 4.528 -2.429 -0.437 1.00 0.00 H new ATOM 0 HA LYS A 52 5.018 -4.893 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.060 -2.931 -1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.823 -2.671 -3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.533 -5.444 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.082 -4.866 -2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.843 -3.233 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.060 -4.214 -5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.397 -5.220 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.771 -4.934 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.420 -7.045 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.785 -6.582 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.413 -7.187 -4.180 1.00 0.00 H new ATOM 938 N ARG A 53 6.707 -2.282 -2.754 1.00 0.00 N ATOM 939 CA ARG A 53 7.794 -1.838 -3.621 1.00 0.00 C ATOM 940 C ARG A 53 9.061 -2.645 -3.357 1.00 0.00 C ATOM 941 O ARG A 53 9.762 -3.040 -4.288 1.00 0.00 O ATOM 942 CB ARG A 53 8.071 -0.349 -3.410 1.00 0.00 C ATOM 943 CG ARG A 53 9.002 0.251 -4.450 1.00 0.00 C ATOM 944 CD ARG A 53 8.245 0.668 -5.702 1.00 0.00 C ATOM 945 NE ARG A 53 9.006 1.619 -6.513 1.00 0.00 N ATOM 946 CZ ARG A 53 9.647 1.302 -7.637 1.00 0.00 C ATOM 947 NH1 ARG A 53 9.642 0.054 -8.091 1.00 0.00 N ATOM 948 NH2 ARG A 53 10.301 2.239 -8.310 1.00 0.00 N ATOM 0 H ARG A 53 6.436 -1.608 -2.038 1.00 0.00 H new ATOM 0 HA ARG A 53 7.489 -1.998 -4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.126 0.193 -3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.505 -0.206 -2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.512 1.116 -4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.771 -0.475 -4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.017 -0.215 -6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.293 1.115 -5.417 1.00 0.00 H new ATOM 0 HE ARG A 53 9.048 2.588 -6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.144 -0.673 -7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.136 -0.177 -8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.312 3.199 -7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.793 1.999 -9.171 1.00 0.00 H new