USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 498 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 65 ASN : amide:sc= 0.942 K(o=2.7,f=-7.1!) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 152:sc= 1.71 (180deg=0.317) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 37:sc= 1.21 USER MOD Single : A 31 HIS : no HD1:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 35 THR OG1 : rot -40:sc= 0.331 USER MOD Single : A 40 MET CE :methyl 165:sc= -0.0429 (180deg=-0.334) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -6:sc= 0.404 USER MOD Single : A 47 THR OG1 : rot 109:sc= 0.619 USER MOD Single : A 49 THR OG1 : rot -41:sc= 1.19 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.266 X(o=-0.27,f=0.04) USER MOD Single : A 62 LYS NZ :NH3+ -134:sc= 1.23 (180deg=0.811) USER MOD Single : A 64 GLN :FLIP amide:sc=-0.00123 F(o=-0.9,f=-0.0012) USER MOD Single : A 71 THR OG1 : rot 180:sc=0.000262 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.0454 (180deg=-0.313) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ALA A 22 -15.338 13.246 -4.896 1.00 0.00 N ATOM 225 CA ALA A 22 -15.437 14.278 -5.869 1.00 0.00 C ATOM 226 C ALA A 22 -16.619 13.845 -6.675 1.00 0.00 C ATOM 227 O ALA A 22 -16.630 12.722 -7.153 1.00 0.00 O ATOM 228 CB ALA A 22 -14.181 14.324 -6.725 1.00 0.00 C ATOM 0 HA ALA A 22 -15.543 15.277 -5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.274 15.119 -7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.316 14.517 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.052 13.369 -7.234 1.00 0.00 H new ATOM 234 N ARG A 23 -17.626 14.656 -6.774 1.00 0.00 N ATOM 235 CA ARG A 23 -18.850 14.185 -7.380 1.00 0.00 C ATOM 236 C ARG A 23 -18.838 14.330 -8.885 1.00 0.00 C ATOM 237 O ARG A 23 -19.600 13.661 -9.593 1.00 0.00 O ATOM 238 CB ARG A 23 -20.094 14.817 -6.738 1.00 0.00 C ATOM 239 CG ARG A 23 -20.183 14.581 -5.225 1.00 0.00 C ATOM 240 CD ARG A 23 -21.507 15.061 -4.652 1.00 0.00 C ATOM 241 NE ARG A 23 -21.527 15.050 -3.179 1.00 0.00 N ATOM 242 CZ ARG A 23 -22.333 14.307 -2.394 1.00 0.00 C ATOM 243 NH1 ARG A 23 -23.098 13.341 -2.910 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -22.334 14.515 -1.092 1.00 0.00 N ATOM 0 H ARG A 23 -17.636 15.625 -6.455 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.908 13.116 -7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -20.089 15.890 -6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.986 14.411 -7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.061 13.518 -5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.363 15.100 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.706 16.072 -5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.311 14.428 -5.027 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.865 15.666 -2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -23.078 13.156 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -23.702 12.789 -2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -21.730 15.231 -0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -22.939 13.960 -0.487 1.00 0.00 H new ATOM 258 N PHE A 24 -17.984 15.176 -9.387 1.00 0.00 N ATOM 259 CA PHE A 24 -17.854 15.346 -10.803 1.00 0.00 C ATOM 260 C PHE A 24 -16.403 15.249 -11.196 1.00 0.00 C ATOM 261 O PHE A 24 -15.520 15.123 -10.353 1.00 0.00 O ATOM 262 CB PHE A 24 -18.424 16.695 -11.279 1.00 0.00 C ATOM 263 CG PHE A 24 -19.882 16.889 -11.010 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.825 16.437 -11.910 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.311 17.532 -9.859 1.00 0.00 C ATOM 266 CE1 PHE A 24 -22.165 16.614 -11.671 1.00 0.00 C ATOM 267 CE2 PHE A 24 -21.650 17.713 -9.617 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.577 17.253 -10.524 1.00 0.00 C ATOM 0 H PHE A 24 -17.363 15.763 -8.830 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.429 14.553 -11.282 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.869 17.499 -10.795 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.251 16.789 -12.351 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -20.505 15.938 -12.813 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -19.585 17.894 -9.146 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.894 16.253 -12.381 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -21.975 18.215 -8.718 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.631 17.394 -10.335 1.00 0.00 H new ATOM 278 N CYS A 25 -16.174 15.263 -12.453 1.00 0.00 N ATOM 279 CA CYS A 25 -14.867 15.297 -12.991 1.00 0.00 C ATOM 280 C CYS A 25 -14.909 16.257 -14.145 1.00 0.00 C ATOM 281 O CYS A 25 -15.934 16.356 -14.837 1.00 0.00 O ATOM 282 CB CYS A 25 -14.444 13.920 -13.461 1.00 0.00 C ATOM 283 SG CYS A 25 -12.692 13.796 -13.914 1.00 0.00 S ATOM 0 H CYS A 25 -16.911 15.251 -13.158 1.00 0.00 H new ATOM 0 HA CYS A 25 -14.143 15.613 -12.240 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.656 13.198 -12.672 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -15.051 13.639 -14.322 1.00 0.00 H new ATOM 288 N VAL A 26 -13.857 16.974 -14.329 1.00 0.00 N ATOM 289 CA VAL A 26 -13.783 17.996 -15.351 1.00 0.00 C ATOM 290 C VAL A 26 -12.846 17.534 -16.439 1.00 0.00 C ATOM 291 O VAL A 26 -11.710 17.164 -16.156 1.00 0.00 O ATOM 292 CB VAL A 26 -13.226 19.320 -14.774 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.486 20.463 -15.716 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.774 19.619 -13.397 1.00 0.00 C ATOM 0 H VAL A 26 -13.006 16.878 -13.775 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.788 18.166 -15.737 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.148 19.197 -14.668 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.086 21.383 -15.290 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.001 20.264 -16.672 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.560 20.571 -15.870 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.354 20.557 -13.034 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.860 19.703 -13.448 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.504 18.813 -12.715 1.00 0.00 H new ATOM 304 N TYR A 27 -13.319 17.540 -17.659 1.00 0.00 N ATOM 305 CA TYR A 27 -12.517 17.127 -18.789 1.00 0.00 C ATOM 306 C TYR A 27 -12.088 18.310 -19.608 1.00 0.00 C ATOM 307 O TYR A 27 -12.845 19.289 -19.767 1.00 0.00 O ATOM 308 CB TYR A 27 -13.251 16.123 -19.665 1.00 0.00 C ATOM 309 CG TYR A 27 -13.509 14.814 -18.973 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.575 14.658 -18.098 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.677 13.738 -19.175 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.794 13.464 -17.455 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.896 12.548 -18.534 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.953 12.414 -17.675 1.00 0.00 C ATOM 315 OH TYR A 27 -14.172 11.214 -17.037 1.00 0.00 O ATOM 0 H TYR A 27 -14.267 17.830 -17.900 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.629 16.638 -18.388 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.201 16.553 -19.982 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.667 15.941 -20.567 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.243 15.488 -17.920 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.839 13.833 -19.849 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.629 13.358 -16.778 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.233 11.713 -18.707 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.483 10.571 -17.304 1.00 0.00 H new ATOM 325 N TYR A 28 -10.888 18.231 -20.115 1.00 0.00 N ATOM 326 CA TYR A 28 -10.310 19.273 -20.917 1.00 0.00 C ATOM 327 C TYR A 28 -9.652 18.667 -22.140 1.00 0.00 C ATOM 328 O TYR A 28 -9.213 17.504 -22.115 1.00 0.00 O ATOM 329 CB TYR A 28 -9.214 20.029 -20.154 1.00 0.00 C ATOM 330 CG TYR A 28 -9.583 20.574 -18.801 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.482 19.776 -17.672 1.00 0.00 C ATOM 332 CD2 TYR A 28 -9.991 21.887 -18.644 1.00 0.00 C ATOM 333 CE1 TYR A 28 -9.785 20.262 -16.434 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.289 22.387 -17.394 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.183 21.566 -16.293 1.00 0.00 C ATOM 336 OH TYR A 28 -10.465 22.050 -15.043 1.00 0.00 O ATOM 0 H TYR A 28 -10.275 17.427 -19.980 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.116 19.956 -21.185 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.363 19.360 -20.030 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.879 20.860 -20.775 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.158 18.751 -17.774 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.077 22.527 -19.510 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.712 19.621 -15.568 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.603 23.414 -17.279 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.839 21.666 -14.394 1.00 0.00 H new ATOM 346 N ASP A 29 -9.599 19.447 -23.183 1.00 0.00 N ATOM 347 CA ASP A 29 -8.896 19.112 -24.402 1.00 0.00 C ATOM 348 C ASP A 29 -7.519 19.715 -24.284 1.00 0.00 C ATOM 349 O ASP A 29 -7.370 20.952 -24.257 1.00 0.00 O ATOM 350 CB ASP A 29 -9.607 19.717 -25.622 1.00 0.00 C ATOM 351 CG ASP A 29 -8.910 19.428 -26.947 1.00 0.00 C ATOM 352 OD1 ASP A 29 -7.861 20.045 -27.244 1.00 0.00 O1- ATOM 353 OD2 ASP A 29 -9.406 18.608 -27.725 1.00 0.00 O ATOM 0 H ASP A 29 -10.054 20.359 -23.215 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.858 18.031 -24.536 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.625 19.330 -25.666 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.681 20.796 -25.489 1.00 0.00 H new ATOM 358 N GLY A 30 -6.547 18.895 -24.143 1.00 0.00 N ATOM 359 CA GLY A 30 -5.209 19.355 -23.994 1.00 0.00 C ATOM 360 C GLY A 30 -4.701 18.992 -22.644 1.00 0.00 C ATOM 361 O GLY A 30 -5.444 19.028 -21.663 1.00 0.00 O ATOM 0 H GLY A 30 -6.651 17.880 -24.127 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.575 18.913 -24.763 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.169 20.436 -24.130 1.00 0.00 H new ATOM 365 N HIS A 31 -3.453 18.684 -22.574 1.00 0.00 N ATOM 366 CA HIS A 31 -2.866 18.201 -21.339 1.00 0.00 C ATOM 367 C HIS A 31 -2.303 19.351 -20.523 1.00 0.00 C ATOM 368 O HIS A 31 -2.130 19.238 -19.309 1.00 0.00 O ATOM 369 CB HIS A 31 -1.754 17.149 -21.626 1.00 0.00 C ATOM 370 CG HIS A 31 -0.525 17.687 -22.335 1.00 0.00 C ATOM 371 ND1 HIS A 31 -0.305 17.596 -23.690 1.00 0.00 N ATOM 372 CD2 HIS A 31 0.554 18.338 -21.827 1.00 0.00 C ATOM 373 CE1 HIS A 31 0.865 18.185 -23.956 1.00 0.00 C ATOM 374 NE2 HIS A 31 1.431 18.653 -22.855 1.00 0.00 N ATOM 0 H HIS A 31 -2.801 18.753 -23.356 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.655 17.720 -20.761 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.443 16.705 -20.680 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.181 16.348 -22.230 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.706 18.574 -20.784 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.294 18.268 -24.944 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.323 19.142 -22.778 1.00 0.00 H new ATOM 382 N LEU A 32 -2.061 20.453 -21.183 1.00 0.00 N ATOM 383 CA LEU A 32 -1.378 21.558 -20.591 1.00 0.00 C ATOM 384 C LEU A 32 -2.379 22.622 -20.173 1.00 0.00 C ATOM 385 O LEU A 32 -3.026 23.217 -21.027 1.00 0.00 O ATOM 386 CB LEU A 32 -0.372 22.133 -21.595 1.00 0.00 C ATOM 387 CG LEU A 32 0.533 23.248 -21.084 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.499 22.714 -20.041 1.00 0.00 C ATOM 389 CD2 LEU A 32 1.286 23.896 -22.229 1.00 0.00 C ATOM 0 H LEU A 32 -2.337 20.604 -22.153 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.841 21.222 -19.704 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.258 21.318 -21.952 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.925 22.509 -22.456 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.092 24.008 -20.616 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.137 23.524 -19.688 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.938 22.302 -19.202 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.117 21.932 -20.483 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.926 24.689 -21.841 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.899 23.148 -22.731 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.575 24.318 -22.939 1.00 0.00 H new ATOM 401 N PRO A 33 -2.516 22.856 -18.853 1.00 0.00 N ATOM 402 CA PRO A 33 -3.456 23.836 -18.256 1.00 0.00 C ATOM 403 C PRO A 33 -3.497 25.175 -18.971 1.00 0.00 C ATOM 404 O PRO A 33 -4.569 25.683 -19.289 1.00 0.00 O ATOM 405 CB PRO A 33 -2.915 24.004 -16.845 1.00 0.00 C ATOM 406 CG PRO A 33 -2.334 22.682 -16.529 1.00 0.00 C ATOM 407 CD PRO A 33 -1.752 22.156 -17.811 1.00 0.00 C ATOM 0 HA PRO A 33 -4.485 23.481 -18.314 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.164 24.793 -16.796 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.705 24.272 -16.143 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.566 22.769 -15.761 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.096 22.005 -16.142 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.686 22.370 -17.884 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.866 21.075 -17.889 1.00 0.00 H new ATOM 415 N ALA A 34 -2.334 25.696 -19.266 1.00 0.00 N ATOM 416 CA ALA A 34 -2.184 26.999 -19.917 1.00 0.00 C ATOM 417 C ALA A 34 -2.828 27.072 -21.315 1.00 0.00 C ATOM 418 O ALA A 34 -3.113 28.167 -21.810 1.00 0.00 O ATOM 419 CB ALA A 34 -0.714 27.382 -20.007 1.00 0.00 C ATOM 0 H ALA A 34 -1.447 25.234 -19.064 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.720 27.710 -19.289 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.620 28.353 -20.493 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.290 27.436 -19.004 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.177 26.632 -20.588 1.00 0.00 H new ATOM 425 N THR A 35 -3.062 25.943 -21.959 1.00 0.00 N ATOM 426 CA THR A 35 -3.601 25.988 -23.302 1.00 0.00 C ATOM 427 C THR A 35 -4.740 24.966 -23.501 1.00 0.00 C ATOM 428 O THR A 35 -5.236 24.773 -24.624 1.00 0.00 O ATOM 429 CB THR A 35 -2.461 25.781 -24.346 1.00 0.00 C ATOM 430 OG1 THR A 35 -2.910 26.088 -25.675 1.00 0.00 O ATOM 431 CG2 THR A 35 -1.927 24.356 -24.307 1.00 0.00 C ATOM 0 H THR A 35 -2.893 25.009 -21.586 1.00 0.00 H new ATOM 0 HA THR A 35 -4.037 26.975 -23.456 1.00 0.00 H new ATOM 0 HB THR A 35 -1.656 26.466 -24.078 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.821 25.749 -25.799 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.134 24.244 -25.046 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.530 24.143 -23.314 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.734 23.659 -24.532 1.00 0.00 H new ATOM 439 N ARG A 36 -5.186 24.362 -22.432 1.00 0.00 N ATOM 440 CA ARG A 36 -6.204 23.338 -22.521 1.00 0.00 C ATOM 441 C ARG A 36 -7.593 23.983 -22.628 1.00 0.00 C ATOM 442 O ARG A 36 -7.806 25.106 -22.153 1.00 0.00 O ATOM 443 CB ARG A 36 -6.111 22.385 -21.322 1.00 0.00 C ATOM 444 CG ARG A 36 -6.453 23.030 -19.997 1.00 0.00 C ATOM 445 CD ARG A 36 -6.284 22.075 -18.831 1.00 0.00 C ATOM 446 NE ARG A 36 -6.573 22.763 -17.570 1.00 0.00 N ATOM 447 CZ ARG A 36 -6.571 22.205 -16.347 1.00 0.00 C ATOM 448 NH1 ARG A 36 -6.077 20.997 -16.154 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -7.008 22.898 -15.307 1.00 0.00 N ATOM 0 H ARG A 36 -4.862 24.559 -21.485 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.040 22.747 -23.422 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.781 21.542 -21.488 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.100 21.982 -21.268 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.817 23.902 -19.845 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.482 23.388 -20.025 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.952 21.222 -18.950 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.267 21.684 -18.816 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.796 23.757 -17.625 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.689 20.473 -16.939 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.083 20.587 -15.220 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.345 23.852 -15.435 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.008 22.478 -14.378 1.00 0.00 H new ATOM 463 N VAL A 37 -8.496 23.308 -23.285 1.00 0.00 N ATOM 464 CA VAL A 37 -9.841 23.809 -23.490 1.00 0.00 C ATOM 465 C VAL A 37 -10.796 23.049 -22.584 1.00 0.00 C ATOM 466 O VAL A 37 -10.730 21.837 -22.512 1.00 0.00 O ATOM 467 CB VAL A 37 -10.289 23.624 -24.971 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.678 24.211 -25.215 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.271 24.228 -25.933 1.00 0.00 C ATOM 0 H VAL A 37 -8.326 22.391 -23.698 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.854 24.873 -23.255 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.343 22.552 -25.162 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.957 24.064 -26.258 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.402 23.712 -24.572 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.667 25.277 -24.990 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.610 24.084 -26.959 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.168 25.294 -25.731 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.307 23.738 -25.797 1.00 0.00 H new ATOM 479 N LEU A 38 -11.651 23.752 -21.897 1.00 0.00 N ATOM 480 CA LEU A 38 -12.634 23.144 -21.011 1.00 0.00 C ATOM 481 C LEU A 38 -13.679 22.413 -21.863 1.00 0.00 C ATOM 482 O LEU A 38 -14.268 23.009 -22.775 1.00 0.00 O ATOM 483 CB LEU A 38 -13.272 24.271 -20.132 1.00 0.00 C ATOM 484 CG LEU A 38 -14.323 23.903 -19.043 1.00 0.00 C ATOM 485 CD1 LEU A 38 -15.683 23.539 -19.622 1.00 0.00 C ATOM 486 CD2 LEU A 38 -13.816 22.784 -18.176 1.00 0.00 C ATOM 0 H LEU A 38 -11.695 24.771 -21.928 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.176 22.413 -20.345 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.457 24.795 -19.633 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.742 24.984 -20.809 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.465 24.799 -18.439 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.369 23.293 -18.812 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.076 24.384 -20.187 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.579 22.678 -20.283 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.564 22.541 -17.421 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.623 21.905 -18.792 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.893 23.093 -17.686 1.00 0.00 H new ATOM 498 N LEU A 39 -13.892 21.136 -21.599 1.00 0.00 N ATOM 499 CA LEU A 39 -14.864 20.392 -22.363 1.00 0.00 C ATOM 500 C LEU A 39 -16.181 20.248 -21.617 1.00 0.00 C ATOM 501 O LEU A 39 -17.176 20.835 -22.025 1.00 0.00 O ATOM 502 CB LEU A 39 -14.320 19.018 -22.759 1.00 0.00 C ATOM 503 CG LEU A 39 -13.127 19.011 -23.714 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.656 17.589 -23.953 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.488 19.679 -25.040 1.00 0.00 C ATOM 0 H LEU A 39 -13.412 20.604 -20.873 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.059 20.962 -23.272 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.034 18.489 -21.850 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.129 18.449 -23.218 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.318 19.579 -23.255 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.806 17.597 -24.635 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.357 17.141 -23.006 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.466 17.006 -24.391 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.623 19.662 -25.703 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.313 19.141 -25.506 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.785 20.712 -24.858 1.00 0.00 H new ATOM 517 N MET A 40 -16.177 19.560 -20.477 1.00 0.00 N ATOM 518 CA MET A 40 -17.420 19.311 -19.743 1.00 0.00 C ATOM 519 C MET A 40 -17.167 18.656 -18.417 1.00 0.00 C ATOM 520 O MET A 40 -16.056 18.171 -18.141 1.00 0.00 O ATOM 521 CB MET A 40 -18.440 18.478 -20.562 1.00 0.00 C ATOM 522 CG MET A 40 -17.947 17.114 -20.986 1.00 0.00 C ATOM 523 SD MET A 40 -19.228 16.108 -21.779 1.00 0.00 S ATOM 524 CE MET A 40 -19.616 17.107 -23.218 1.00 0.00 C ATOM 0 H MET A 40 -15.340 19.169 -20.044 1.00 0.00 H new ATOM 0 HA MET A 40 -17.859 20.293 -19.565 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.346 18.353 -19.969 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.717 19.042 -21.453 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.111 17.235 -21.675 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.567 16.584 -20.113 1.00 0.00 H new ATOM 0 HE1 MET A 40 -20.181 16.510 -23.934 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.212 17.968 -22.914 1.00 0.00 H new ATOM 0 HE3 MET A 40 -18.692 17.451 -23.682 1.00 0.00 H new ATOM 534 N TYR A 41 -18.188 18.679 -17.608 1.00 0.00 N ATOM 535 CA TYR A 41 -18.196 18.104 -16.289 1.00 0.00 C ATOM 536 C TYR A 41 -19.030 16.832 -16.320 1.00 0.00 C ATOM 537 O TYR A 41 -20.124 16.816 -16.886 1.00 0.00 O ATOM 538 CB TYR A 41 -18.804 19.097 -15.288 1.00 0.00 C ATOM 539 CG TYR A 41 -18.020 20.388 -15.109 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.033 21.384 -16.081 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.270 20.608 -13.967 1.00 0.00 C ATOM 542 CE1 TYR A 41 -17.323 22.551 -15.917 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.557 21.777 -13.798 1.00 0.00 C ATOM 544 CZ TYR A 41 -16.587 22.743 -14.775 1.00 0.00 C ATOM 545 OH TYR A 41 -15.876 23.908 -14.609 1.00 0.00 O ATOM 0 H TYR A 41 -19.075 19.116 -17.858 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.176 17.876 -15.979 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.814 19.345 -15.613 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.892 18.605 -14.319 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.611 21.238 -16.981 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.242 19.853 -13.196 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.345 23.312 -16.683 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.977 21.932 -12.900 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.410 23.887 -13.747 1.00 0.00 H new ATOM 555 N VAL A 42 -18.508 15.774 -15.756 1.00 0.00 N ATOM 556 CA VAL A 42 -19.190 14.487 -15.747 1.00 0.00 C ATOM 557 C VAL A 42 -19.355 13.987 -14.322 1.00 0.00 C ATOM 558 O VAL A 42 -18.447 14.122 -13.517 1.00 0.00 O ATOM 559 CB VAL A 42 -18.408 13.427 -16.581 1.00 0.00 C ATOM 560 CG1 VAL A 42 -19.087 12.058 -16.550 1.00 0.00 C ATOM 561 CG2 VAL A 42 -18.229 13.897 -18.015 1.00 0.00 C ATOM 0 H VAL A 42 -17.601 15.770 -15.289 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.171 14.630 -16.199 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.426 13.316 -16.120 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.508 11.351 -17.144 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.146 11.704 -15.521 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -20.092 12.141 -16.963 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.681 13.143 -18.579 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.206 14.053 -18.472 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.671 14.833 -18.024 1.00 0.00 H new ATOM 571 N ARG A 43 -20.512 13.438 -14.025 1.00 0.00 N ATOM 572 CA ARG A 43 -20.820 12.883 -12.729 1.00 0.00 C ATOM 573 C ARG A 43 -20.056 11.573 -12.496 1.00 0.00 C ATOM 574 O ARG A 43 -20.183 10.599 -13.280 1.00 0.00 O ATOM 575 CB ARG A 43 -22.326 12.620 -12.643 1.00 0.00 C ATOM 576 CG ARG A 43 -22.795 12.004 -11.341 1.00 0.00 C ATOM 577 CD ARG A 43 -22.638 12.959 -10.180 1.00 0.00 C ATOM 578 NE ARG A 43 -23.020 12.322 -8.925 1.00 0.00 N ATOM 579 CZ ARG A 43 -23.694 12.891 -7.923 1.00 0.00 C ATOM 580 NH1 ARG A 43 -24.162 14.137 -8.030 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -23.934 12.186 -6.827 1.00 0.00 N ATOM 0 H ARG A 43 -21.280 13.364 -14.693 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.517 13.596 -11.962 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.853 13.562 -12.792 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.612 11.961 -13.463 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.841 11.712 -11.433 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -22.227 11.095 -11.143 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -21.604 13.298 -10.120 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -23.254 13.843 -10.346 1.00 0.00 H new ATOM 0 HE ARG A 43 -22.746 11.347 -8.801 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -24.006 14.668 -8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -24.675 14.557 -7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -23.605 11.223 -6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -24.448 12.606 -6.052 1.00 0.00 H new ATOM 595 N ILE A 44 -19.284 11.542 -11.436 1.00 0.00 N ATOM 596 CA ILE A 44 -18.560 10.349 -11.064 1.00 0.00 C ATOM 597 C ILE A 44 -19.541 9.256 -10.643 1.00 0.00 C ATOM 598 O ILE A 44 -20.412 9.454 -9.772 1.00 0.00 O ATOM 599 CB ILE A 44 -17.439 10.606 -9.995 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.339 11.501 -10.617 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.841 9.287 -9.482 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.142 11.769 -9.724 1.00 0.00 C ATOM 0 H ILE A 44 -19.140 12.335 -10.811 1.00 0.00 H new ATOM 0 HA ILE A 44 -18.019 10.003 -11.945 1.00 0.00 H new ATOM 0 HB ILE A 44 -17.881 11.115 -9.138 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.988 11.032 -11.536 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.785 12.456 -10.896 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.068 9.501 -8.744 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.626 8.686 -9.022 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.404 8.737 -10.316 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.430 12.404 -10.251 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.472 12.271 -8.814 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.663 10.825 -9.464 1.00 0.00 H new ATOM 614 N GLY A 45 -19.430 8.146 -11.320 1.00 0.00 N ATOM 615 CA GLY A 45 -20.317 7.043 -11.162 1.00 0.00 C ATOM 616 C GLY A 45 -20.992 6.747 -12.482 1.00 0.00 C ATOM 617 O GLY A 45 -21.467 5.633 -12.727 1.00 0.00 O ATOM 0 H GLY A 45 -18.699 7.987 -12.013 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.767 6.167 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -21.064 7.269 -10.402 1.00 0.00 H new ATOM 621 N THR A 46 -21.007 7.733 -13.363 1.00 0.00 N ATOM 622 CA THR A 46 -21.671 7.575 -14.628 1.00 0.00 C ATOM 623 C THR A 46 -20.734 7.784 -15.798 1.00 0.00 C ATOM 624 O THR A 46 -19.592 8.287 -15.649 1.00 0.00 O ATOM 625 CB THR A 46 -22.898 8.521 -14.750 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.511 9.884 -14.496 1.00 0.00 O ATOM 627 CG2 THR A 46 -24.002 8.121 -13.779 1.00 0.00 C ATOM 0 H THR A 46 -20.568 8.642 -13.219 1.00 0.00 H new ATOM 0 HA THR A 46 -22.022 6.544 -14.662 1.00 0.00 H new ATOM 0 HB THR A 46 -23.279 8.435 -15.768 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.578 9.909 -14.198 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.847 8.801 -13.888 1.00 0.00 H new ATOM 0 HG22 THR A 46 -24.326 7.103 -13.996 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.624 8.172 -12.758 1.00 0.00 H new ATOM 635 N THR A 47 -21.197 7.376 -16.932 1.00 0.00 N ATOM 636 CA THR A 47 -20.508 7.562 -18.153 1.00 0.00 C ATOM 637 C THR A 47 -21.101 8.753 -18.866 1.00 0.00 C ATOM 638 O THR A 47 -22.252 9.150 -18.595 1.00 0.00 O ATOM 639 CB THR A 47 -20.629 6.325 -19.069 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.011 6.016 -19.304 1.00 0.00 O ATOM 641 CG2 THR A 47 -19.939 5.112 -18.479 1.00 0.00 C ATOM 0 H THR A 47 -22.089 6.892 -17.032 1.00 0.00 H new ATOM 0 HA THR A 47 -19.453 7.720 -17.930 1.00 0.00 H new ATOM 0 HB THR A 47 -20.136 6.572 -20.010 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.242 6.235 -20.231 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.049 4.265 -19.156 1.00 0.00 H new ATOM 0 HG22 THR A 47 -18.880 5.328 -18.338 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.391 4.868 -17.517 1.00 0.00 H new ATOM 649 N ALA A 48 -20.344 9.324 -19.730 1.00 0.00 N ATOM 650 CA ALA A 48 -20.786 10.449 -20.522 1.00 0.00 C ATOM 651 C ALA A 48 -20.067 10.449 -21.827 1.00 0.00 C ATOM 652 O ALA A 48 -18.949 9.927 -21.927 1.00 0.00 O ATOM 653 CB ALA A 48 -20.543 11.762 -19.801 1.00 0.00 C ATOM 0 H ALA A 48 -19.386 9.032 -19.921 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.859 10.351 -20.689 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.887 12.588 -20.424 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -21.090 11.766 -18.858 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.477 11.876 -19.602 1.00 0.00 H new ATOM 659 N THR A 49 -20.690 11.011 -22.813 1.00 0.00 N ATOM 660 CA THR A 49 -20.104 11.101 -24.101 1.00 0.00 C ATOM 661 C THR A 49 -19.427 12.469 -24.244 1.00 0.00 C ATOM 662 O THR A 49 -20.100 13.512 -24.316 1.00 0.00 O ATOM 663 CB THR A 49 -21.171 10.941 -25.208 1.00 0.00 C ATOM 664 OG1 THR A 49 -22.024 9.826 -24.906 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.509 10.702 -26.557 1.00 0.00 C ATOM 0 H THR A 49 -21.622 11.420 -22.742 1.00 0.00 H new ATOM 0 HA THR A 49 -19.373 10.300 -24.210 1.00 0.00 H new ATOM 0 HB THR A 49 -21.758 11.858 -25.252 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.483 9.083 -24.564 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.276 10.592 -27.324 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.869 11.549 -26.803 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.908 9.794 -26.512 1.00 0.00 H new ATOM 673 N ILE A 50 -18.126 12.457 -24.290 1.00 0.00 N ATOM 674 CA ILE A 50 -17.350 13.660 -24.453 1.00 0.00 C ATOM 675 C ILE A 50 -17.146 13.773 -25.936 1.00 0.00 C ATOM 676 O ILE A 50 -17.067 12.762 -26.625 1.00 0.00 O ATOM 677 CB ILE A 50 -15.933 13.504 -23.824 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.985 12.886 -22.421 1.00 0.00 C ATOM 679 CG2 ILE A 50 -15.194 14.843 -23.791 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.723 13.701 -21.387 1.00 0.00 C ATOM 0 H ILE A 50 -17.566 11.608 -24.215 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.850 14.509 -23.988 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.380 12.816 -24.464 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.455 11.905 -22.491 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.964 12.726 -22.074 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.208 14.704 -23.347 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.084 15.223 -24.807 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.762 15.558 -23.196 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.703 13.179 -20.430 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.243 14.674 -21.280 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.757 13.840 -21.703 1.00 0.00 H new ATOM 692 N THR A 51 -17.124 14.937 -26.437 1.00 0.00 N ATOM 693 CA THR A 51 -16.934 15.112 -27.844 1.00 0.00 C ATOM 694 C THR A 51 -15.859 16.150 -28.087 1.00 0.00 C ATOM 695 O THR A 51 -16.052 17.337 -27.836 1.00 0.00 O ATOM 696 CB THR A 51 -18.260 15.482 -28.536 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.257 14.511 -28.144 1.00 0.00 O ATOM 698 CG2 THR A 51 -18.105 15.444 -30.050 1.00 0.00 C ATOM 0 H THR A 51 -17.234 15.800 -25.905 1.00 0.00 H new ATOM 0 HA THR A 51 -16.602 14.171 -28.282 1.00 0.00 H new ATOM 0 HB THR A 51 -18.553 16.489 -28.241 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.111 14.728 -28.572 1.00 0.00 H new ATOM 0 HG21 THR A 51 -19.053 15.708 -30.519 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.338 16.156 -30.355 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.813 14.441 -30.361 1.00 0.00 H new ATOM 706 N ALA A 52 -14.726 15.686 -28.523 1.00 0.00 N ATOM 707 CA ALA A 52 -13.593 16.528 -28.732 1.00 0.00 C ATOM 708 C ALA A 52 -12.903 16.113 -30.001 1.00 0.00 C ATOM 709 O ALA A 52 -12.741 14.916 -30.259 1.00 0.00 O ATOM 710 CB ALA A 52 -12.642 16.424 -27.547 1.00 0.00 C ATOM 0 H ALA A 52 -14.564 14.704 -28.745 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.915 17.566 -28.821 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.780 17.070 -27.715 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.157 16.735 -26.638 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.307 15.392 -27.439 1.00 0.00 H new ATOM 716 N ARG A 53 -12.572 17.098 -30.823 1.00 0.00 N ATOM 717 CA ARG A 53 -11.863 16.923 -32.097 1.00 0.00 C ATOM 718 C ARG A 53 -12.669 16.075 -33.071 1.00 0.00 C ATOM 719 O ARG A 53 -12.133 15.460 -33.993 1.00 0.00 O ATOM 720 CB ARG A 53 -10.473 16.354 -31.852 1.00 0.00 C ATOM 721 CG ARG A 53 -9.683 17.248 -30.938 1.00 0.00 C ATOM 722 CD ARG A 53 -8.355 16.688 -30.594 1.00 0.00 C ATOM 723 NE ARG A 53 -7.732 17.492 -29.537 1.00 0.00 N ATOM 724 CZ ARG A 53 -6.431 17.635 -29.317 1.00 0.00 C ATOM 725 NH1 ARG A 53 -5.545 16.964 -30.038 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -6.017 18.453 -28.367 1.00 0.00 N ATOM 0 H ARG A 53 -12.793 18.073 -30.622 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.744 17.900 -32.565 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.555 15.359 -31.414 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.949 16.242 -32.801 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.550 18.220 -31.413 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.250 17.416 -30.022 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.461 15.655 -30.262 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.716 16.675 -31.477 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.361 17.991 -28.908 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.860 16.329 -30.772 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.548 17.082 -29.860 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.695 18.970 -27.808 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.019 18.568 -28.192 1.00 0.00 H new ATOM 740 N GLY A 54 -13.967 16.111 -32.886 1.00 0.00 N ATOM 741 CA GLY A 54 -14.880 15.367 -33.713 1.00 0.00 C ATOM 742 C GLY A 54 -15.093 13.952 -33.232 1.00 0.00 C ATOM 743 O GLY A 54 -15.877 13.203 -33.820 1.00 0.00 O ATOM 0 H GLY A 54 -14.419 16.660 -32.155 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.839 15.884 -33.741 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.500 15.344 -34.734 1.00 0.00 H new ATOM 747 N HIS A 55 -14.420 13.579 -32.170 1.00 0.00 N ATOM 748 CA HIS A 55 -14.510 12.237 -31.651 1.00 0.00 C ATOM 749 C HIS A 55 -15.377 12.200 -30.427 1.00 0.00 C ATOM 750 O HIS A 55 -15.322 13.100 -29.584 1.00 0.00 O ATOM 751 CB HIS A 55 -13.128 11.671 -31.318 1.00 0.00 C ATOM 752 CG HIS A 55 -12.247 11.413 -32.499 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.818 10.162 -32.863 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.690 12.270 -33.386 1.00 0.00 C ATOM 755 CE1 HIS A 55 -11.037 10.290 -33.926 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.925 11.550 -34.290 1.00 0.00 N ATOM 0 H HIS A 55 -13.798 14.194 -31.644 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.958 11.618 -32.428 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.619 12.366 -30.650 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.257 10.738 -30.770 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.821 13.342 -33.389 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.554 9.466 -34.429 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.387 11.919 -35.074 1.00 0.00 H new ATOM 764 N GLU A 56 -16.181 11.185 -30.343 1.00 0.00 N ATOM 765 CA GLU A 56 -17.049 10.975 -29.233 1.00 0.00 C ATOM 766 C GLU A 56 -16.481 9.872 -28.364 1.00 0.00 C ATOM 767 O GLU A 56 -16.264 8.742 -28.826 1.00 0.00 O ATOM 768 CB GLU A 56 -18.432 10.606 -29.719 1.00 0.00 C ATOM 769 CG GLU A 56 -19.054 11.658 -30.605 1.00 0.00 C ATOM 770 CD GLU A 56 -20.422 11.278 -31.056 1.00 0.00 C ATOM 771 OE1 GLU A 56 -20.552 10.422 -31.944 1.00 0.00 O ATOM 772 OE2 GLU A 56 -21.405 11.841 -30.541 1.00 0.00 O1- ATOM 0 H GLU A 56 -16.251 10.465 -31.062 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.126 11.891 -28.648 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.378 9.665 -30.267 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.079 10.437 -28.858 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.101 12.604 -30.065 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.418 11.819 -31.476 1.00 0.00 H new ATOM 779 N PHE A 57 -16.213 10.206 -27.146 1.00 0.00 N ATOM 780 CA PHE A 57 -15.631 9.308 -26.210 1.00 0.00 C ATOM 781 C PHE A 57 -16.620 9.018 -25.108 1.00 0.00 C ATOM 782 O PHE A 57 -17.023 9.935 -24.395 1.00 0.00 O ATOM 783 CB PHE A 57 -14.393 9.957 -25.589 1.00 0.00 C ATOM 784 CG PHE A 57 -13.360 10.430 -26.574 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.486 9.540 -27.175 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.258 11.775 -26.886 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.533 9.982 -28.069 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.313 12.221 -27.777 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.447 11.325 -28.370 1.00 0.00 C ATOM 0 H PHE A 57 -16.398 11.134 -26.766 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.358 8.385 -26.721 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.711 10.806 -24.984 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.927 9.241 -24.913 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.551 8.488 -26.941 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.930 12.482 -26.423 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.857 9.279 -28.532 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.248 13.273 -28.014 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.702 11.675 -29.069 1.00 0.00 H new ATOM 799 N GLU A 58 -17.047 7.786 -24.986 1.00 0.00 N ATOM 800 CA GLU A 58 -17.892 7.426 -23.869 1.00 0.00 C ATOM 801 C GLU A 58 -16.945 7.073 -22.745 1.00 0.00 C ATOM 802 O GLU A 58 -16.279 6.028 -22.780 1.00 0.00 O ATOM 803 CB GLU A 58 -18.781 6.221 -24.220 1.00 0.00 C ATOM 804 CG GLU A 58 -19.843 5.845 -23.164 1.00 0.00 C ATOM 805 CD GLU A 58 -20.952 6.871 -23.032 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.184 7.624 -23.987 1.00 0.00 O1- ATOM 807 OE2 GLU A 58 -21.642 6.926 -21.972 1.00 0.00 O ATOM 0 H GLU A 58 -16.830 7.026 -25.631 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.563 8.241 -23.596 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.289 6.429 -25.162 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.140 5.356 -24.388 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.279 4.881 -23.426 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.355 5.722 -22.197 1.00 0.00 H new ATOM 814 N VAL A 59 -16.863 7.939 -21.783 1.00 0.00 N ATOM 815 CA VAL A 59 -15.929 7.787 -20.701 1.00 0.00 C ATOM 816 C VAL A 59 -16.680 7.494 -19.436 1.00 0.00 C ATOM 817 O VAL A 59 -17.795 7.992 -19.242 1.00 0.00 O ATOM 818 CB VAL A 59 -15.071 9.086 -20.483 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.280 9.448 -21.727 1.00 0.00 C ATOM 820 CG2 VAL A 59 -15.929 10.269 -20.040 1.00 0.00 C ATOM 0 H VAL A 59 -17.443 8.776 -21.722 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.257 6.968 -20.956 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.367 8.862 -19.681 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.699 10.351 -21.539 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.606 8.629 -21.981 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.966 9.624 -22.556 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.296 11.146 -19.901 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.679 10.480 -20.802 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.425 10.027 -19.100 1.00 0.00 H new ATOM 830 N GLU A 60 -16.114 6.693 -18.607 1.00 0.00 N ATOM 831 CA GLU A 60 -16.690 6.427 -17.333 1.00 0.00 C ATOM 832 C GLU A 60 -15.938 7.221 -16.297 1.00 0.00 C ATOM 833 O GLU A 60 -14.720 7.042 -16.125 1.00 0.00 O ATOM 834 CB GLU A 60 -16.617 4.935 -16.986 1.00 0.00 C ATOM 835 CG GLU A 60 -17.380 4.569 -15.715 1.00 0.00 C ATOM 836 CD GLU A 60 -17.243 3.115 -15.348 1.00 0.00 C ATOM 837 OE1 GLU A 60 -17.752 2.261 -16.077 1.00 0.00 O ATOM 838 OE2 GLU A 60 -16.638 2.799 -14.316 1.00 0.00 O1- ATOM 0 H GLU A 60 -15.239 6.202 -18.790 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.742 6.713 -17.354 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.015 4.356 -17.819 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.572 4.648 -16.869 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.018 5.182 -14.890 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.435 4.807 -15.849 1.00 0.00 H new ATOM 845 N ALA A 61 -16.617 8.126 -15.642 1.00 0.00 N ATOM 846 CA ALA A 61 -16.004 8.839 -14.547 1.00 0.00 C ATOM 847 C ALA A 61 -16.098 7.923 -13.343 1.00 0.00 C ATOM 848 O ALA A 61 -17.079 7.914 -12.636 1.00 0.00 O ATOM 849 CB ALA A 61 -16.695 10.176 -14.305 1.00 0.00 C ATOM 0 H ALA A 61 -17.583 8.386 -15.842 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.964 9.084 -14.762 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.212 10.690 -13.474 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.624 10.790 -15.203 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.744 10.005 -14.064 1.00 0.00 H new ATOM 855 N LYS A 62 -15.108 7.085 -13.195 1.00 0.00 N ATOM 856 CA LYS A 62 -15.166 5.987 -12.253 1.00 0.00 C ATOM 857 C LYS A 62 -14.358 6.175 -10.976 1.00 0.00 C ATOM 858 O LYS A 62 -14.627 5.508 -9.977 1.00 0.00 O ATOM 859 CB LYS A 62 -14.718 4.713 -12.961 1.00 0.00 C ATOM 860 CG LYS A 62 -13.311 4.795 -13.530 1.00 0.00 C ATOM 861 CD LYS A 62 -12.916 3.584 -14.389 1.00 0.00 C ATOM 862 CE LYS A 62 -13.044 2.254 -13.645 1.00 0.00 C ATOM 863 NZ LYS A 62 -14.343 1.581 -13.892 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.236 7.139 -13.721 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.203 5.931 -11.922 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.769 3.880 -12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.415 4.492 -13.769 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.225 5.699 -14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.602 4.892 -12.708 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.544 3.557 -15.280 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.887 3.706 -14.728 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.233 1.592 -13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.928 2.428 -12.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.738 1.247 -12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.004 2.253 -14.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.199 0.771 -14.528 1.00 0.00 H new ATOM 877 N ASP A 63 -13.388 7.053 -10.971 1.00 0.00 N ATOM 878 CA ASP A 63 -12.501 7.098 -9.855 1.00 0.00 C ATOM 879 C ASP A 63 -12.352 8.514 -9.375 1.00 0.00 C ATOM 880 O ASP A 63 -12.409 9.446 -10.180 1.00 0.00 O ATOM 881 CB ASP A 63 -11.149 6.515 -10.272 1.00 0.00 C ATOM 882 CG ASP A 63 -10.183 6.395 -9.138 1.00 0.00 C ATOM 883 OD1 ASP A 63 -9.460 7.353 -8.876 1.00 0.00 O1- ATOM 884 OD2 ASP A 63 -10.127 5.324 -8.500 1.00 0.00 O ATOM 0 H ASP A 63 -13.200 7.729 -11.712 1.00 0.00 H new ATOM 0 HA ASP A 63 -12.904 6.506 -9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.306 5.530 -10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.713 7.145 -11.047 1.00 0.00 H new ATOM 889 N GLN A 64 -12.142 8.671 -8.082 1.00 0.00 N ATOM 890 CA GLN A 64 -12.001 9.980 -7.432 1.00 0.00 C ATOM 891 C GLN A 64 -10.720 10.713 -7.844 1.00 0.00 C ATOM 892 O GLN A 64 -10.539 11.879 -7.517 1.00 0.00 O ATOM 893 CB GLN A 64 -12.034 9.827 -5.910 1.00 0.00 C ATOM 894 CG GLN A 64 -10.991 8.853 -5.369 1.00 0.00 C ATOM 895 CD GLN A 64 -10.959 8.781 -3.857 1.00 0.00 C ATOM 896 OE1 GLN A 64 -11.151 9.892 -3.202 1.00 0.00 O flip ATOM 897 NE2 GLN A 64 -10.697 7.730 -3.290 1.00 0.00 N flip ATOM 0 H GLN A 64 -12.062 7.887 -7.435 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.846 10.583 -7.765 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.878 10.804 -5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.025 9.488 -5.609 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.192 7.859 -5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.007 9.149 -5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -10.553 6.879 -3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.623 7.704 -2.273 1.00 0.00 H new ATOM 906 N ASN A 65 -9.838 10.031 -8.533 1.00 0.00 N ATOM 907 CA ASN A 65 -8.595 10.649 -9.002 1.00 0.00 C ATOM 908 C ASN A 65 -8.747 10.930 -10.492 1.00 0.00 C ATOM 909 O ASN A 65 -7.845 11.426 -11.162 1.00 0.00 O ATOM 910 CB ASN A 65 -7.380 9.718 -8.708 1.00 0.00 C ATOM 911 CG ASN A 65 -6.021 10.294 -9.117 1.00 0.00 C ATOM 912 OD1 ASN A 65 -5.552 10.090 -10.237 1.00 0.00 O ATOM 913 ND2 ASN A 65 -5.371 10.981 -8.224 1.00 0.00 N ATOM 0 H ASN A 65 -9.946 9.049 -8.787 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.406 11.585 -8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.359 9.496 -7.641 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.530 8.772 -9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.452 11.364 -8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.780 11.137 -7.303 1.00 0.00 H new ATOM 920 N CYS A 66 -9.942 10.641 -10.979 1.00 0.00 N ATOM 921 CA CYS A 66 -10.307 10.779 -12.366 1.00 0.00 C ATOM 922 C CYS A 66 -9.506 9.908 -13.283 1.00 0.00 C ATOM 923 O CYS A 66 -8.612 10.361 -13.997 1.00 0.00 O ATOM 924 CB CYS A 66 -10.370 12.223 -12.847 1.00 0.00 C ATOM 925 SG CYS A 66 -11.801 13.128 -12.219 1.00 0.00 S ATOM 0 H CYS A 66 -10.704 10.294 -10.396 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.331 10.408 -12.413 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.460 12.740 -12.541 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.392 12.234 -13.937 1.00 0.00 H new ATOM 930 N LYS A 67 -9.754 8.639 -13.192 1.00 0.00 N ATOM 931 CA LYS A 67 -9.185 7.710 -14.105 1.00 0.00 C ATOM 932 C LYS A 67 -10.143 7.507 -15.206 1.00 0.00 C ATOM 933 O LYS A 67 -11.082 6.719 -15.118 1.00 0.00 O ATOM 934 CB LYS A 67 -8.734 6.427 -13.427 1.00 0.00 C ATOM 935 CG LYS A 67 -7.277 6.375 -12.927 1.00 0.00 C ATOM 936 CD LYS A 67 -6.818 7.672 -12.288 1.00 0.00 C ATOM 937 CE LYS A 67 -6.039 8.480 -13.303 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.884 9.901 -12.930 1.00 0.00 N1+ ATOM 0 H LYS A 67 -10.356 8.222 -12.482 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.262 8.112 -14.523 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.391 6.244 -12.576 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.882 5.604 -14.126 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.177 5.566 -12.204 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.621 6.138 -13.764 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.678 8.241 -11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.196 7.462 -11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.052 8.036 -13.429 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.542 8.418 -14.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.010 10.277 -13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.698 10.443 -13.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.834 9.985 -11.895 1.00 0.00 H new ATOM 952 N VAL A 68 -9.969 8.345 -16.177 1.00 0.00 N ATOM 953 CA VAL A 68 -10.794 8.387 -17.334 1.00 0.00 C ATOM 954 C VAL A 68 -10.577 7.158 -18.192 1.00 0.00 C ATOM 955 O VAL A 68 -9.560 7.010 -18.875 1.00 0.00 O ATOM 956 CB VAL A 68 -10.612 9.722 -18.130 1.00 0.00 C ATOM 957 CG1 VAL A 68 -9.138 10.066 -18.355 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.367 9.673 -19.454 1.00 0.00 C ATOM 0 H VAL A 68 -9.223 9.041 -16.183 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.835 8.372 -17.010 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.036 10.519 -17.519 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.063 11.000 -18.911 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.639 10.176 -17.392 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.660 9.267 -18.922 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.225 10.612 -19.989 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.987 8.850 -20.059 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.429 9.522 -19.262 1.00 0.00 H new ATOM 968 N ILE A 69 -11.486 6.253 -18.074 1.00 0.00 N ATOM 969 CA ILE A 69 -11.445 5.045 -18.812 1.00 0.00 C ATOM 970 C ILE A 69 -12.741 4.918 -19.563 1.00 0.00 C ATOM 971 O ILE A 69 -13.816 5.185 -19.029 1.00 0.00 O ATOM 972 CB ILE A 69 -11.169 3.820 -17.890 1.00 0.00 C ATOM 973 CG1 ILE A 69 -9.802 4.007 -17.214 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.190 2.522 -18.689 1.00 0.00 C ATOM 975 CD1 ILE A 69 -9.447 2.961 -16.188 1.00 0.00 C ATOM 0 H ILE A 69 -12.290 6.336 -17.452 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.618 5.066 -19.522 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.951 3.757 -17.133 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.031 4.014 -17.985 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.782 4.986 -16.734 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -10.995 1.682 -18.023 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.168 2.397 -19.154 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.422 2.558 -19.462 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.465 3.181 -15.769 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.191 2.966 -15.391 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.428 1.979 -16.661 1.00 0.00 H new ATOM 987 N LEU A 70 -12.623 4.587 -20.800 1.00 0.00 N ATOM 988 CA LEU A 70 -13.724 4.527 -21.688 1.00 0.00 C ATOM 989 C LEU A 70 -14.281 3.136 -21.732 1.00 0.00 C ATOM 990 O LEU A 70 -13.574 2.152 -21.464 1.00 0.00 O ATOM 991 CB LEU A 70 -13.330 4.980 -23.101 1.00 0.00 C ATOM 992 CG LEU A 70 -12.959 6.467 -23.324 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.692 6.882 -22.590 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.820 6.759 -24.798 1.00 0.00 C ATOM 0 H LEU A 70 -11.732 4.344 -21.232 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.489 5.209 -21.316 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.480 4.375 -23.418 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.158 4.741 -23.769 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.776 7.056 -22.906 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.486 7.934 -22.786 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.827 6.732 -21.519 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.855 6.277 -22.939 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.559 7.808 -24.938 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.036 6.131 -25.221 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.764 6.550 -25.301 1.00 0.00 H new ATOM 1006 N THR A 71 -15.498 3.058 -22.163 1.00 0.00 N ATOM 1007 CA THR A 71 -16.277 1.838 -22.188 1.00 0.00 C ATOM 1008 C THR A 71 -15.701 0.813 -23.165 1.00 0.00 C ATOM 1009 O THR A 71 -15.878 -0.399 -22.997 1.00 0.00 O ATOM 1010 CB THR A 71 -17.721 2.170 -22.571 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.715 2.915 -23.800 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.384 3.006 -21.492 1.00 0.00 C ATOM 0 H THR A 71 -16.006 3.866 -22.523 1.00 0.00 H new ATOM 0 HA THR A 71 -16.244 1.394 -21.193 1.00 0.00 H new ATOM 0 HB THR A 71 -18.278 1.240 -22.687 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.636 3.132 -24.056 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.410 3.231 -21.785 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.387 2.452 -20.553 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.832 3.937 -21.362 1.00 0.00 H new ATOM 1020 N ASN A 72 -14.968 1.300 -24.151 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.376 0.431 -25.168 1.00 0.00 C ATOM 1022 C ASN A 72 -13.041 -0.115 -24.720 1.00 0.00 C ATOM 1023 O ASN A 72 -12.369 -0.818 -25.465 1.00 0.00 O ATOM 1024 CB ASN A 72 -14.222 1.139 -26.520 1.00 0.00 C ATOM 1025 CG ASN A 72 -15.550 1.527 -27.134 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -16.186 0.727 -27.815 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -15.946 2.761 -26.960 1.00 0.00 N ATOM 0 H ASN A 72 -14.765 2.292 -24.274 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.070 -0.399 -25.300 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.612 2.033 -26.389 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.686 0.485 -27.208 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.809 3.086 -27.397 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.392 3.398 -26.388 1.00 0.00 H new ATOM 1034 N GLY A 73 -12.641 0.223 -23.510 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.412 -0.288 -22.987 1.00 0.00 C ATOM 1036 C GLY A 73 -10.300 0.707 -23.114 1.00 0.00 C ATOM 1037 O GLY A 73 -9.158 0.424 -22.744 1.00 0.00 O ATOM 0 H GLY A 73 -13.152 0.845 -22.883 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.545 -0.553 -21.938 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.144 -1.203 -23.516 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.620 1.884 -23.605 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.618 2.884 -23.815 1.00 0.00 C ATOM 1043 C LYS A 74 -9.323 3.573 -22.509 1.00 0.00 C ATOM 1044 O LYS A 74 -10.222 3.893 -21.761 1.00 0.00 O ATOM 1045 CB LYS A 74 -10.049 3.911 -24.866 1.00 0.00 C ATOM 1046 CG LYS A 74 -10.315 3.357 -26.258 1.00 0.00 C ATOM 1047 CD LYS A 74 -9.067 2.753 -26.880 1.00 0.00 C ATOM 1048 CE LYS A 74 -9.312 2.343 -28.328 1.00 0.00 C ATOM 1049 NZ LYS A 74 -9.632 3.509 -29.200 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.566 2.164 -23.863 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.720 2.393 -24.190 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.953 4.407 -24.513 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.275 4.675 -24.940 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.096 2.598 -26.203 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.690 4.154 -26.900 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.251 3.475 -26.837 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.754 1.884 -26.302 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.428 1.835 -28.714 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.133 1.627 -28.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.508 3.241 -30.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.617 3.802 -29.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.995 4.298 -28.972 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.084 3.788 -22.244 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.643 4.443 -21.021 1.00 0.00 C ATOM 1065 C GLN A 75 -7.372 5.919 -21.281 1.00 0.00 C ATOM 1066 O GLN A 75 -6.575 6.564 -20.586 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.427 3.723 -20.446 1.00 0.00 C ATOM 1068 CG GLN A 75 -6.748 2.302 -20.008 1.00 0.00 C ATOM 1069 CD GLN A 75 -5.546 1.544 -19.516 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -4.861 0.875 -20.291 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -5.274 1.626 -18.240 1.00 0.00 N ATOM 0 H GLN A 75 -7.322 3.518 -22.866 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.435 4.387 -20.274 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.635 3.699 -21.194 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.044 4.285 -19.594 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.497 2.334 -19.217 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.191 1.763 -20.845 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.864 2.190 -17.628 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.472 1.126 -17.856 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.083 6.419 -22.286 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.119 7.820 -22.702 1.00 0.00 C ATOM 1082 C ALA A 76 -6.863 8.297 -23.401 1.00 0.00 C ATOM 1083 O ALA A 76 -5.744 7.913 -23.045 1.00 0.00 O ATOM 1084 CB ALA A 76 -8.476 8.746 -21.556 1.00 0.00 C ATOM 0 H ALA A 76 -8.682 5.829 -22.864 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.914 7.862 -23.446 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.491 9.776 -21.912 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.460 8.482 -21.168 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.735 8.646 -20.763 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.034 9.110 -24.458 1.00 0.00 N ATOM 1091 CA PRO A 77 -5.918 9.757 -25.135 1.00 0.00 C ATOM 1092 C PRO A 77 -5.153 10.656 -24.166 1.00 0.00 C ATOM 1093 O PRO A 77 -5.749 11.262 -23.268 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.596 10.614 -26.199 1.00 0.00 C ATOM 1095 CG PRO A 77 -7.910 9.976 -26.432 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.326 9.423 -25.111 1.00 0.00 C ATOM 0 HA PRO A 77 -5.201 9.043 -25.541 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.713 11.643 -25.860 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.005 10.645 -27.115 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.637 10.699 -26.801 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.836 9.188 -27.181 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.904 10.146 -24.535 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.947 8.534 -25.223 1.00 0.00 H new ATOM 1104 N ASP A 78 -3.855 10.754 -24.364 1.00 0.00 N ATOM 1105 CA ASP A 78 -2.947 11.554 -23.506 1.00 0.00 C ATOM 1106 C ASP A 78 -3.371 13.026 -23.408 1.00 0.00 C ATOM 1107 O ASP A 78 -3.170 13.682 -22.379 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.510 11.450 -24.034 1.00 0.00 C ATOM 1109 CG ASP A 78 -0.531 12.362 -23.319 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -0.079 12.033 -22.193 1.00 0.00 O1- ATOM 1111 OD2 ASP A 78 -0.167 13.422 -23.882 1.00 0.00 O ATOM 0 H ASP A 78 -3.375 10.281 -25.130 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.004 11.141 -22.499 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.170 10.419 -23.937 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.505 11.688 -25.098 1.00 0.00 H new ATOM 1116 N TRP A 79 -3.997 13.515 -24.454 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.424 14.899 -24.519 1.00 0.00 C ATOM 1118 C TRP A 79 -5.757 15.133 -23.802 1.00 0.00 C ATOM 1119 O TRP A 79 -6.155 16.257 -23.601 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.493 15.370 -25.981 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.388 14.558 -26.858 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -5.008 13.536 -27.644 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.802 14.709 -27.045 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -6.082 13.027 -28.313 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -7.199 13.729 -27.961 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.770 15.572 -26.520 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.518 13.584 -28.373 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -9.076 15.429 -26.929 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.439 14.441 -27.846 1.00 0.00 C ATOM 0 H TRP A 79 -4.226 12.968 -25.284 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.678 15.494 -23.993 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.832 16.406 -25.999 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.487 15.357 -26.400 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.996 13.170 -27.733 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -6.055 12.248 -28.970 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.497 16.336 -25.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.803 12.822 -29.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.832 16.092 -26.534 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.473 14.353 -28.145 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.441 14.078 -23.435 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.699 14.227 -22.741 1.00 0.00 C ATOM 1142 C LEU A 80 -7.403 14.309 -21.257 1.00 0.00 C ATOM 1143 O LEU A 80 -6.876 13.359 -20.667 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.641 13.053 -23.062 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.033 13.102 -22.415 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.807 14.336 -22.865 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.819 11.840 -22.733 1.00 0.00 C ATOM 0 H LEU A 80 -6.153 13.114 -23.603 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.207 15.135 -23.066 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.768 13.002 -24.143 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.153 12.128 -22.754 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.895 13.163 -21.336 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.788 14.343 -22.391 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.259 15.234 -22.579 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.928 14.315 -23.948 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.802 11.896 -22.265 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.936 11.747 -23.813 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.283 10.971 -22.350 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.701 15.426 -20.659 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.357 15.647 -19.275 1.00 0.00 C ATOM 1161 C ALA A 81 -8.586 15.618 -18.420 1.00 0.00 C ATOM 1162 O ALA A 81 -9.651 16.052 -18.852 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.612 16.964 -19.108 1.00 0.00 C ATOM 0 H ALA A 81 -8.184 16.205 -21.107 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.696 14.843 -18.952 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.363 17.110 -18.057 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.696 16.941 -19.699 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.243 17.785 -19.449 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.446 15.090 -17.234 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.535 14.987 -16.298 1.00 0.00 C ATOM 1171 C ALA A 82 -9.060 15.354 -14.891 1.00 0.00 C ATOM 1172 O ALA A 82 -7.997 14.880 -14.434 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.101 13.578 -16.319 1.00 0.00 C ATOM 0 H ALA A 82 -7.564 14.715 -16.886 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.321 15.685 -16.588 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.925 13.506 -15.609 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.464 13.347 -17.320 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.321 12.868 -16.043 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.819 16.202 -14.228 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.525 16.638 -12.873 1.00 0.00 C ATOM 1181 C GLU A 83 -10.768 16.445 -12.013 1.00 0.00 C ATOM 1182 O GLU A 83 -11.866 16.814 -12.440 1.00 0.00 O ATOM 1183 CB GLU A 83 -9.147 18.119 -12.836 1.00 0.00 C ATOM 1184 CG GLU A 83 -7.969 18.515 -13.699 1.00 0.00 C ATOM 1185 CD GLU A 83 -7.645 19.984 -13.569 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -8.582 20.820 -13.483 1.00 0.00 O1- ATOM 1187 OE2 GLU A 83 -6.443 20.339 -13.546 1.00 0.00 O ATOM 0 H GLU A 83 -10.667 16.614 -14.617 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.687 16.049 -12.500 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.013 18.704 -13.144 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.927 18.394 -11.804 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.097 17.925 -13.417 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.188 18.282 -14.741 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.624 15.867 -10.815 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.752 15.625 -9.902 1.00 0.00 C ATOM 1196 C PRO A 84 -12.416 16.928 -9.434 1.00 0.00 C ATOM 1197 O PRO A 84 -11.737 17.933 -9.188 1.00 0.00 O ATOM 1198 CB PRO A 84 -11.084 14.893 -8.733 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.666 15.296 -8.802 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.366 15.364 -10.247 1.00 0.00 C ATOM 0 HA PRO A 84 -12.560 15.063 -10.371 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.531 15.177 -7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.194 13.813 -8.827 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.504 16.259 -8.318 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -9.024 14.574 -8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.531 16.033 -10.456 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.101 14.387 -10.652 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.717 16.910 -9.341 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.488 18.062 -8.964 1.00 0.00 C ATOM 1210 C TYR A 85 -15.443 17.665 -7.833 1.00 0.00 C ATOM 1211 O TYR A 85 -16.524 17.102 -8.105 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.251 18.554 -10.203 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.974 19.885 -10.082 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -15.333 21.069 -10.419 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -17.301 19.953 -9.682 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -15.991 22.281 -10.362 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -17.964 21.159 -9.614 1.00 0.00 C ATOM 1218 CZ TYR A 85 -17.305 22.320 -9.958 1.00 0.00 C ATOM 1219 OH TYR A 85 -17.969 23.526 -9.902 1.00 0.00 O ATOM 1220 OXT TYR A 85 -15.113 17.894 -6.665 1.00 0.00 O1- ATOM 0 H TYR A 85 -14.280 16.081 -9.528 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.852 18.870 -8.603 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.545 18.626 -11.030 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.983 17.794 -10.474 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -14.300 21.041 -10.732 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.823 19.045 -9.419 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -15.478 23.192 -10.633 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.995 21.195 -9.293 1.00 0.00 H new ATOM 0 HH TYR A 85 -18.889 23.379 -9.599 1.00 0.00 H new