USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 443 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 51 MET CE :methyl 151:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 SER OG : rot -90:sc= -2.3 USER MOD Set 2.2: A 48 MET CE :methyl 175:sc= -4.67! (180deg=-5.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 30 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.1) USER MOD Single : A 31 TYR OH : rot 132:sc= 0.0366 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HE2:sc= -1.59 F(o=-2.9!,f=-1.6) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -168:sc= -0.683 (180deg=-1.31) USER MOD Single : A 56 THR OG1 : rot 101:sc= 0.0263 USER MOD Single : A 58 ASN : amide:sc= -1.97! C(o=-2!,f=-4.6!) USER MOD Single : A 60 GLN : amide:sc= -0.0347 X(o=-0.035,f=-0.035) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -131:sc= -0.542 (180deg=-1.56!) USER MOD Single : A 79 CYS SG : rot 180:sc= -0.0116 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -5.437 5.556 1.417 1.00 0.00 N ATOM 215 CA VAL A 19 -6.082 4.449 0.733 1.00 0.00 C ATOM 216 C VAL A 19 -5.066 3.751 -0.171 1.00 0.00 C ATOM 217 O VAL A 19 -4.198 4.400 -0.753 1.00 0.00 O ATOM 218 CB VAL A 19 -7.314 4.949 -0.025 1.00 0.00 C ATOM 219 CG1 VAL A 19 -6.920 5.549 -1.376 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.341 3.829 -0.201 1.00 0.00 C ATOM 0 HA VAL A 19 -6.437 3.711 1.452 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.776 5.737 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.814 5.897 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.243 6.388 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.422 4.790 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.207 4.211 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.893 3.010 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.656 3.467 0.778 1.00 0.00 H new ATOM 230 N LEU A 20 -5.206 2.436 -0.264 1.00 0.00 N ATOM 231 CA LEU A 20 -4.311 1.643 -1.088 1.00 0.00 C ATOM 232 C LEU A 20 -5.136 0.740 -2.006 1.00 0.00 C ATOM 233 O LEU A 20 -5.429 -0.404 -1.658 1.00 0.00 O ATOM 234 CB LEU A 20 -3.311 0.884 -0.215 1.00 0.00 C ATOM 235 CG LEU A 20 -2.498 1.732 0.766 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.907 0.865 1.881 1.00 0.00 C ATOM 237 CD2 LEU A 20 -1.422 2.536 0.036 1.00 0.00 C ATOM 0 H LEU A 20 -5.927 1.900 0.219 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.712 2.289 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.854 0.128 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.617 0.354 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.171 2.449 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.334 1.492 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.713 0.375 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.252 0.110 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.859 3.129 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.746 1.854 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.893 3.198 -0.690 1.00 0.00 H new ATOM 248 N ARG A 21 -5.489 1.286 -3.160 1.00 0.00 N ATOM 249 CA ARG A 21 -6.275 0.543 -4.131 1.00 0.00 C ATOM 250 C ARG A 21 -5.356 -0.152 -5.137 1.00 0.00 C ATOM 251 O ARG A 21 -4.179 0.187 -5.246 1.00 0.00 O ATOM 252 CB ARG A 21 -7.239 1.464 -4.881 1.00 0.00 C ATOM 253 CG ARG A 21 -8.573 1.581 -4.142 1.00 0.00 C ATOM 254 CD ARG A 21 -9.712 1.893 -5.114 1.00 0.00 C ATOM 255 NE ARG A 21 -10.893 2.384 -4.369 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.969 2.937 -4.945 1.00 0.00 C ATOM 257 NH1 ARG A 21 -12.020 3.073 -6.278 1.00 0.00 N ATOM 258 NH2 ARG A 21 -12.994 3.354 -4.190 1.00 0.00 N ATOM 0 H ARG A 21 -5.245 2.235 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.854 -0.203 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.792 2.452 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.409 1.078 -5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.784 0.650 -3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.508 2.366 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.390 2.643 -5.836 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.974 0.999 -5.679 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.887 2.296 -3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.240 2.755 -6.853 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.839 3.494 -6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.956 3.251 -3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.813 3.775 -4.629 1.00 0.00 H new ATOM 269 N SER A 22 -5.929 -1.112 -5.849 1.00 0.00 N ATOM 270 CA SER A 22 -5.177 -1.857 -6.844 1.00 0.00 C ATOM 271 C SER A 22 -5.172 -1.099 -8.173 1.00 0.00 C ATOM 272 O SER A 22 -6.230 -0.782 -8.715 1.00 0.00 O ATOM 273 CB SER A 22 -5.756 -3.261 -7.035 1.00 0.00 C ATOM 274 OG SER A 22 -5.026 -4.011 -8.002 1.00 0.00 O ATOM 0 H SER A 22 -6.906 -1.391 -5.756 1.00 0.00 H new ATOM 0 HA SER A 22 -4.152 -1.962 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.746 -3.790 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.798 -3.185 -7.346 1.00 0.00 H new ATOM 0 HG SER A 22 -5.409 -3.859 -8.891 1.00 0.00 H new ATOM 279 N PRO A 23 -3.938 -0.823 -8.673 1.00 0.00 N ATOM 280 CA PRO A 23 -3.781 -0.109 -9.929 1.00 0.00 C ATOM 281 C PRO A 23 -4.099 -1.015 -11.119 1.00 0.00 C ATOM 282 O PRO A 23 -4.421 -0.532 -12.204 1.00 0.00 O ATOM 283 CB PRO A 23 -2.344 0.386 -9.925 1.00 0.00 C ATOM 284 CG PRO A 23 -1.617 -0.461 -8.892 1.00 0.00 C ATOM 285 CD PRO A 23 -2.663 -1.182 -8.060 1.00 0.00 C ATOM 0 HA PRO A 23 -4.474 0.726 -10.027 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.890 0.277 -10.910 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.296 1.444 -9.667 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.958 -1.178 -9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.990 0.166 -8.257 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.506 -2.261 -8.075 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.623 -0.869 -7.017 1.00 0.00 H new ATOM 290 N SER A 24 -3.998 -2.314 -10.876 1.00 0.00 N ATOM 291 CA SER A 24 -4.270 -3.293 -11.915 1.00 0.00 C ATOM 292 C SER A 24 -4.677 -4.626 -11.283 1.00 0.00 C ATOM 293 O SER A 24 -4.313 -4.914 -10.144 1.00 0.00 O ATOM 294 CB SER A 24 -3.055 -3.485 -12.823 1.00 0.00 C ATOM 295 OG SER A 24 -3.433 -3.745 -14.173 1.00 0.00 O ATOM 0 H SER A 24 -3.732 -2.711 -9.975 1.00 0.00 H new ATOM 0 HA SER A 24 -5.092 -2.922 -12.528 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.431 -2.592 -12.787 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.451 -4.312 -12.450 1.00 0.00 H new ATOM 0 HG SER A 24 -2.629 -3.860 -14.721 1.00 0.00 H new ATOM 300 N ALA A 25 -5.425 -5.405 -12.052 1.00 0.00 N ATOM 301 CA ALA A 25 -5.885 -6.700 -11.582 1.00 0.00 C ATOM 302 C ALA A 25 -4.679 -7.618 -11.371 1.00 0.00 C ATOM 303 O ALA A 25 -3.672 -7.497 -12.068 1.00 0.00 O ATOM 304 CB ALA A 25 -6.890 -7.278 -12.580 1.00 0.00 C ATOM 0 H ALA A 25 -5.723 -5.164 -12.997 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.397 -6.602 -10.625 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.235 -8.250 -12.227 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.740 -6.603 -12.672 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.411 -7.394 -13.552 1.00 0.00 H new ATOM 310 N GLY A 26 -4.821 -8.516 -10.407 1.00 0.00 N ATOM 311 CA GLY A 26 -3.756 -9.454 -10.096 1.00 0.00 C ATOM 312 C GLY A 26 -4.238 -10.528 -9.118 1.00 0.00 C ATOM 313 O GLY A 26 -5.402 -10.926 -9.154 1.00 0.00 O ATOM 0 H GLY A 26 -5.657 -8.614 -9.831 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.402 -9.925 -11.013 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.910 -8.919 -9.666 1.00 0.00 H new ATOM 317 N LYS A 27 -3.320 -10.964 -8.269 1.00 0.00 N ATOM 318 CA LYS A 27 -3.639 -11.984 -7.283 1.00 0.00 C ATOM 319 C LYS A 27 -2.747 -11.795 -6.054 1.00 0.00 C ATOM 320 O LYS A 27 -1.535 -11.990 -6.125 1.00 0.00 O ATOM 321 CB LYS A 27 -3.540 -13.378 -7.905 1.00 0.00 C ATOM 322 CG LYS A 27 -4.688 -14.272 -7.430 1.00 0.00 C ATOM 323 CD LYS A 27 -4.748 -15.566 -8.244 1.00 0.00 C ATOM 324 CE LYS A 27 -6.195 -16.025 -8.438 1.00 0.00 C ATOM 325 NZ LYS A 27 -6.235 -17.435 -8.886 1.00 0.00 N ATOM 0 H LYS A 27 -2.356 -10.631 -8.243 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.671 -11.881 -6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.562 -13.298 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.586 -13.832 -7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.557 -14.508 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.633 -13.736 -7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.279 -15.411 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.180 -16.346 -7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.745 -15.918 -7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.689 -15.389 -9.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.224 -17.731 -9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.727 -17.527 -9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.782 -18.039 -8.171 1.00 0.00 H new ATOM 335 N LEU A 28 -3.383 -11.415 -4.954 1.00 0.00 N ATOM 336 CA LEU A 28 -2.663 -11.196 -3.712 1.00 0.00 C ATOM 337 C LEU A 28 -1.926 -12.480 -3.321 1.00 0.00 C ATOM 338 O LEU A 28 -2.396 -13.580 -3.608 1.00 0.00 O ATOM 339 CB LEU A 28 -3.610 -10.677 -2.628 1.00 0.00 C ATOM 340 CG LEU A 28 -2.946 -10.113 -1.371 1.00 0.00 C ATOM 341 CD1 LEU A 28 -2.006 -8.957 -1.719 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.994 -9.708 -0.332 1.00 0.00 C ATOM 0 H LEU A 28 -4.389 -11.254 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.908 -10.421 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.237 -9.899 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.271 -11.491 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.337 -10.899 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.547 -8.574 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.228 -9.311 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.572 -8.161 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.495 -9.310 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.648 -8.945 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.586 -10.580 -0.053 1.00 0.00 H new ATOM 353 N THR A 29 -0.785 -12.296 -2.674 1.00 0.00 N ATOM 354 CA THR A 29 0.020 -13.425 -2.242 1.00 0.00 C ATOM 355 C THR A 29 0.377 -13.290 -0.761 1.00 0.00 C ATOM 356 O THR A 29 0.026 -14.149 0.047 1.00 0.00 O ATOM 357 CB THR A 29 1.245 -13.509 -3.156 1.00 0.00 C ATOM 358 OG1 THR A 29 1.911 -12.266 -2.961 1.00 0.00 O ATOM 359 CG2 THR A 29 0.870 -13.503 -4.640 1.00 0.00 C ATOM 0 H THR A 29 -0.399 -11.382 -2.438 1.00 0.00 H new ATOM 0 HA THR A 29 -0.533 -14.360 -2.327 1.00 0.00 H new ATOM 0 HB THR A 29 1.806 -14.415 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.718 -12.237 -3.516 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.775 -13.564 -5.244 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.230 -14.358 -4.857 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.337 -12.582 -4.877 1.00 0.00 H new ATOM 367 N GLN A 30 1.069 -12.205 -0.448 1.00 0.00 N ATOM 368 CA GLN A 30 1.477 -11.946 0.922 1.00 0.00 C ATOM 369 C GLN A 30 2.206 -10.605 1.015 1.00 0.00 C ATOM 370 O GLN A 30 2.680 -10.080 0.008 1.00 0.00 O ATOM 371 CB GLN A 30 2.349 -13.083 1.459 1.00 0.00 C ATOM 372 CG GLN A 30 3.617 -13.244 0.618 1.00 0.00 C ATOM 373 CD GLN A 30 4.742 -13.881 1.437 1.00 0.00 C ATOM 374 OE1 GLN A 30 4.539 -14.389 2.528 1.00 0.00 O ATOM 375 NE2 GLN A 30 5.934 -13.828 0.852 1.00 0.00 N ATOM 0 H GLN A 30 1.358 -11.494 -1.120 1.00 0.00 H new ATOM 0 HA GLN A 30 0.582 -11.894 1.543 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.619 -12.881 2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.783 -14.015 1.453 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.403 -13.862 -0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.938 -12.270 0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.034 -13.388 -0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.749 -14.227 1.318 1.00 0.00 H new ATOM 382 N TYR A 31 2.273 -10.087 2.233 1.00 0.00 N ATOM 383 CA TYR A 31 2.937 -8.816 2.470 1.00 0.00 C ATOM 384 C TYR A 31 4.446 -9.006 2.625 1.00 0.00 C ATOM 385 O TYR A 31 4.921 -10.128 2.792 1.00 0.00 O ATOM 386 CB TYR A 31 2.365 -8.280 3.784 1.00 0.00 C ATOM 387 CG TYR A 31 0.838 -8.175 3.802 1.00 0.00 C ATOM 388 CD1 TYR A 31 0.220 -7.030 3.343 1.00 0.00 C ATOM 389 CD2 TYR A 31 0.080 -9.227 4.276 1.00 0.00 C ATOM 390 CE1 TYR A 31 -1.217 -6.932 3.359 1.00 0.00 C ATOM 391 CE2 TYR A 31 -1.357 -9.128 4.293 1.00 0.00 C ATOM 392 CZ TYR A 31 -1.934 -7.986 3.833 1.00 0.00 C ATOM 393 OH TYR A 31 -3.291 -7.893 3.849 1.00 0.00 O ATOM 0 H TYR A 31 1.879 -10.524 3.066 1.00 0.00 H new ATOM 0 HA TYR A 31 2.773 -8.136 1.634 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.684 -8.930 4.599 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.789 -7.295 3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.813 -6.208 2.972 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.564 -10.124 4.634 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.714 -6.042 3.003 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.962 -9.942 4.663 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.679 -8.703 3.458 1.00 0.00 H new ATOM 402 N THR A 32 5.161 -7.891 2.564 1.00 0.00 N ATOM 403 CA THR A 32 6.608 -7.921 2.695 1.00 0.00 C ATOM 404 C THR A 32 7.052 -7.077 3.891 1.00 0.00 C ATOM 405 O THR A 32 8.244 -6.976 4.176 1.00 0.00 O ATOM 406 CB THR A 32 7.212 -7.461 1.368 1.00 0.00 C ATOM 407 OG1 THR A 32 6.797 -6.103 1.250 1.00 0.00 O ATOM 408 CG2 THR A 32 6.574 -8.153 0.162 1.00 0.00 C ATOM 0 H THR A 32 4.765 -6.961 2.426 1.00 0.00 H new ATOM 0 HA THR A 32 6.967 -8.930 2.899 1.00 0.00 H new ATOM 0 HB THR A 32 8.285 -7.655 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.147 -5.725 0.416 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.040 -7.790 -0.754 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.720 -9.230 0.241 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.507 -7.933 0.139 1.00 0.00 H new ATOM 416 N VAL A 33 6.069 -6.492 4.559 1.00 0.00 N ATOM 417 CA VAL A 33 6.343 -5.660 5.718 1.00 0.00 C ATOM 418 C VAL A 33 5.744 -6.314 6.965 1.00 0.00 C ATOM 419 O VAL A 33 4.897 -7.199 6.859 1.00 0.00 O ATOM 420 CB VAL A 33 5.823 -4.240 5.478 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.083 -3.797 4.037 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.337 -4.137 5.825 1.00 0.00 C ATOM 0 H VAL A 33 5.081 -6.578 4.320 1.00 0.00 H new ATOM 0 HA VAL A 33 7.417 -5.575 5.881 1.00 0.00 H new ATOM 0 HB VAL A 33 6.369 -3.566 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.704 -2.785 3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.155 -3.815 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.576 -4.475 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.991 -3.119 5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.769 -4.828 5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.190 -4.391 6.875 1.00 0.00 H new ATOM 432 N GLU A 34 6.207 -5.852 8.117 1.00 0.00 N ATOM 433 CA GLU A 34 5.727 -6.381 9.382 1.00 0.00 C ATOM 434 C GLU A 34 4.609 -5.497 9.937 1.00 0.00 C ATOM 435 O GLU A 34 4.245 -4.494 9.326 1.00 0.00 O ATOM 436 CB GLU A 34 6.871 -6.516 10.390 1.00 0.00 C ATOM 437 CG GLU A 34 7.397 -7.952 10.433 1.00 0.00 C ATOM 438 CD GLU A 34 8.901 -7.994 10.154 1.00 0.00 C ATOM 439 OE1 GLU A 34 9.266 -7.799 8.975 1.00 0.00 O ATOM 440 OE2 GLU A 34 9.651 -8.218 11.128 1.00 0.00 O ATOM 0 H GLU A 34 6.909 -5.117 8.201 1.00 0.00 H new ATOM 0 HA GLU A 34 5.322 -7.378 9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.680 -5.837 10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.524 -6.222 11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.193 -8.389 11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.870 -8.558 9.696 1.00 0.00 H new ATOM 445 N ASP A 35 4.095 -5.901 11.091 1.00 0.00 N ATOM 446 CA ASP A 35 3.027 -5.157 11.735 1.00 0.00 C ATOM 447 C ASP A 35 3.347 -3.662 11.682 1.00 0.00 C ATOM 448 O ASP A 35 4.475 -3.255 11.959 1.00 0.00 O ATOM 449 CB ASP A 35 2.884 -5.559 13.204 1.00 0.00 C ATOM 450 CG ASP A 35 1.444 -5.723 13.693 1.00 0.00 C ATOM 451 OD1 ASP A 35 0.806 -6.706 13.260 1.00 0.00 O ATOM 452 OD2 ASP A 35 1.013 -4.860 14.488 1.00 0.00 O ATOM 0 H ASP A 35 4.399 -6.734 11.595 1.00 0.00 H new ATOM 0 HA ASP A 35 2.098 -5.378 11.209 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.414 -6.498 13.361 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.378 -4.808 13.820 1.00 0.00 H new ATOM 456 N GLY A 36 2.335 -2.884 11.326 1.00 0.00 N ATOM 457 CA GLY A 36 2.497 -1.442 11.234 1.00 0.00 C ATOM 458 C GLY A 36 3.757 -1.081 10.446 1.00 0.00 C ATOM 459 O GLY A 36 4.492 -0.171 10.829 1.00 0.00 O ATOM 0 H GLY A 36 1.401 -3.224 11.098 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.624 -1.005 10.750 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.555 -1.014 12.235 1.00 0.00 H new ATOM 463 N GLY A 37 3.968 -1.810 9.361 1.00 0.00 N ATOM 464 CA GLY A 37 5.127 -1.577 8.516 1.00 0.00 C ATOM 465 C GLY A 37 5.078 -0.181 7.891 1.00 0.00 C ATOM 466 O GLY A 37 4.068 0.206 7.306 1.00 0.00 O ATOM 0 H GLY A 37 3.356 -2.563 9.047 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.038 -1.684 9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.165 -2.330 7.729 1.00 0.00 H new ATOM 470 N HIS A 38 6.182 0.536 8.039 1.00 0.00 N ATOM 471 CA HIS A 38 6.278 1.881 7.496 1.00 0.00 C ATOM 472 C HIS A 38 7.266 1.894 6.328 1.00 0.00 C ATOM 473 O HIS A 38 8.389 1.407 6.454 1.00 0.00 O ATOM 474 CB HIS A 38 6.643 2.885 8.592 1.00 0.00 C ATOM 475 CG HIS A 38 6.885 4.286 8.086 1.00 0.00 C ATOM 476 ND1 HIS A 38 6.029 5.335 7.923 1.00 0.00 N flip ATOM 477 CD2 HIS A 38 8.131 4.731 7.680 1.00 0.00 C flip ATOM 478 CE1 HIS A 38 6.715 6.367 7.446 1.00 0.00 C flip ATOM 479 NE2 HIS A 38 8.018 5.994 7.294 1.00 0.00 N flip ATOM 0 H HIS A 38 7.017 0.212 8.527 1.00 0.00 H new ATOM 0 HA HIS A 38 5.307 2.190 7.109 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.841 2.910 9.329 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.538 2.536 9.107 1.00 0.00 H new ATOM 0 HD1 HIS A 38 5.031 5.328 8.132 1.00 0.00 H new ATOM 0 HD2 HIS A 38 9.040 4.148 7.678 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.308 7.341 7.216 1.00 0.00 H new ATOM 486 N VAL A 39 6.813 2.456 5.217 1.00 0.00 N ATOM 487 CA VAL A 39 7.643 2.538 4.028 1.00 0.00 C ATOM 488 C VAL A 39 7.540 3.945 3.435 1.00 0.00 C ATOM 489 O VAL A 39 6.798 4.784 3.945 1.00 0.00 O ATOM 490 CB VAL A 39 7.248 1.442 3.036 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.524 0.053 3.616 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.783 1.581 2.620 1.00 0.00 C ATOM 0 H VAL A 39 5.882 2.859 5.116 1.00 0.00 H new ATOM 0 HA VAL A 39 8.689 2.367 4.281 1.00 0.00 H new ATOM 0 HB VAL A 39 7.862 1.561 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.235 -0.708 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.587 -0.044 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.948 -0.080 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.528 0.790 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.146 1.501 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.629 2.551 2.148 1.00 0.00 H new ATOM 502 N GLU A 40 8.294 4.161 2.367 1.00 0.00 N ATOM 503 CA GLU A 40 8.296 5.452 1.701 1.00 0.00 C ATOM 504 C GLU A 40 7.536 5.366 0.376 1.00 0.00 C ATOM 505 O GLU A 40 7.295 4.273 -0.136 1.00 0.00 O ATOM 506 CB GLU A 40 9.725 5.953 1.482 1.00 0.00 C ATOM 507 CG GLU A 40 10.409 5.184 0.350 1.00 0.00 C ATOM 508 CD GLU A 40 11.931 5.235 0.495 1.00 0.00 C ATOM 509 OE1 GLU A 40 12.407 4.909 1.604 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.584 5.597 -0.508 1.00 0.00 O ATOM 0 H GLU A 40 8.908 3.463 1.947 1.00 0.00 H new ATOM 0 HA GLU A 40 7.788 6.172 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.709 7.017 1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.299 5.840 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.074 4.147 0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.117 5.608 -0.611 1.00 0.00 H new ATOM 515 N ALA A 41 7.181 6.532 -0.143 1.00 0.00 N ATOM 516 CA ALA A 41 6.453 6.602 -1.398 1.00 0.00 C ATOM 517 C ALA A 41 7.369 6.153 -2.539 1.00 0.00 C ATOM 518 O ALA A 41 8.105 6.961 -3.103 1.00 0.00 O ATOM 519 CB ALA A 41 5.922 8.022 -1.603 1.00 0.00 C ATOM 0 H ALA A 41 7.384 7.436 0.283 1.00 0.00 H new ATOM 0 HA ALA A 41 5.593 5.932 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.376 8.074 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.255 8.283 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.757 8.722 -1.629 1.00 0.00 H new ATOM 525 N GLY A 42 7.293 4.866 -2.845 1.00 0.00 N ATOM 526 CA GLY A 42 8.105 4.300 -3.908 1.00 0.00 C ATOM 527 C GLY A 42 8.587 2.894 -3.541 1.00 0.00 C ATOM 528 O GLY A 42 9.036 2.144 -4.405 1.00 0.00 O ATOM 0 H GLY A 42 6.681 4.199 -2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.526 4.261 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.963 4.945 -4.097 1.00 0.00 H new ATOM 532 N SER A 43 8.477 2.582 -2.258 1.00 0.00 N ATOM 533 CA SER A 43 8.895 1.281 -1.766 1.00 0.00 C ATOM 534 C SER A 43 7.812 0.239 -2.056 1.00 0.00 C ATOM 535 O SER A 43 6.824 0.536 -2.726 1.00 0.00 O ATOM 536 CB SER A 43 9.197 1.330 -0.267 1.00 0.00 C ATOM 537 OG SER A 43 10.571 1.599 -0.008 1.00 0.00 O ATOM 0 H SER A 43 8.104 3.208 -1.544 1.00 0.00 H new ATOM 0 HA SER A 43 9.811 0.997 -2.284 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.583 2.099 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.921 0.379 0.190 1.00 0.00 H new ATOM 0 HG SER A 43 10.723 1.624 0.960 1.00 0.00 H new ATOM 542 N SER A 44 8.037 -0.960 -1.538 1.00 0.00 N ATOM 543 CA SER A 44 7.093 -2.048 -1.733 1.00 0.00 C ATOM 544 C SER A 44 6.636 -2.593 -0.379 1.00 0.00 C ATOM 545 O SER A 44 7.456 -2.843 0.502 1.00 0.00 O ATOM 546 CB SER A 44 7.708 -3.166 -2.576 1.00 0.00 C ATOM 547 OG SER A 44 9.068 -3.412 -2.227 1.00 0.00 O ATOM 0 H SER A 44 8.859 -1.202 -0.984 1.00 0.00 H new ATOM 0 HA SER A 44 6.228 -1.659 -2.271 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.129 -4.080 -2.444 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.647 -2.900 -3.631 1.00 0.00 H new ATOM 0 HG SER A 44 9.424 -4.134 -2.786 1.00 0.00 H new ATOM 552 N TYR A 45 5.328 -2.763 -0.256 1.00 0.00 N ATOM 553 CA TYR A 45 4.752 -3.273 0.976 1.00 0.00 C ATOM 554 C TYR A 45 4.099 -4.639 0.751 1.00 0.00 C ATOM 555 O TYR A 45 3.856 -5.380 1.702 1.00 0.00 O ATOM 556 CB TYR A 45 3.675 -2.268 1.387 1.00 0.00 C ATOM 557 CG TYR A 45 2.332 -2.473 0.685 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.551 -3.569 0.993 1.00 0.00 C ATOM 559 CD2 TYR A 45 1.900 -1.562 -0.258 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.287 -3.761 0.332 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.636 -1.754 -0.920 1.00 0.00 C ATOM 562 CZ TYR A 45 -0.108 -2.845 -0.592 1.00 0.00 C ATOM 563 OH TYR A 45 -1.303 -3.026 -1.217 1.00 0.00 O ATOM 0 H TYR A 45 4.650 -2.556 -0.990 1.00 0.00 H new ATOM 0 HA TYR A 45 5.522 -3.395 1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.524 -2.334 2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.033 -1.260 1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.889 -4.282 1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.511 -0.705 -0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.334 -4.614 0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.287 -1.049 -1.660 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.455 -2.294 -1.850 1.00 0.00 H new ATOM 572 N ALA A 46 3.833 -4.931 -0.513 1.00 0.00 N ATOM 573 CA ALA A 46 3.213 -6.194 -0.876 1.00 0.00 C ATOM 574 C ALA A 46 3.456 -6.468 -2.362 1.00 0.00 C ATOM 575 O ALA A 46 4.157 -5.711 -3.030 1.00 0.00 O ATOM 576 CB ALA A 46 1.723 -6.149 -0.527 1.00 0.00 C ATOM 0 H ALA A 46 4.036 -4.314 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 46 3.656 -7.016 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.257 -7.096 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.605 -5.981 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.245 -5.338 -1.077 1.00 0.00 H new ATOM 582 N GLU A 47 2.863 -7.554 -2.834 1.00 0.00 N ATOM 583 CA GLU A 47 3.006 -7.939 -4.228 1.00 0.00 C ATOM 584 C GLU A 47 1.679 -8.475 -4.770 1.00 0.00 C ATOM 585 O GLU A 47 0.691 -8.550 -4.041 1.00 0.00 O ATOM 586 CB GLU A 47 4.125 -8.969 -4.401 1.00 0.00 C ATOM 587 CG GLU A 47 5.496 -8.335 -4.163 1.00 0.00 C ATOM 588 CD GLU A 47 6.436 -8.602 -5.340 1.00 0.00 C ATOM 589 OE1 GLU A 47 5.929 -8.607 -6.481 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.642 -8.796 -5.070 1.00 0.00 O ATOM 0 H GLU A 47 2.282 -8.180 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 47 3.280 -7.054 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.976 -9.794 -3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.085 -9.390 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.384 -7.260 -4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.931 -8.735 -3.247 1.00 0.00 H new ATOM 595 N MET A 48 1.699 -8.832 -6.046 1.00 0.00 N ATOM 596 CA MET A 48 0.509 -9.358 -6.694 1.00 0.00 C ATOM 597 C MET A 48 0.871 -10.109 -7.977 1.00 0.00 C ATOM 598 O MET A 48 1.811 -9.733 -8.677 1.00 0.00 O ATOM 599 CB MET A 48 -0.441 -8.207 -7.027 1.00 0.00 C ATOM 600 CG MET A 48 0.218 -7.208 -7.981 1.00 0.00 C ATOM 601 SD MET A 48 -0.667 -5.659 -7.949 1.00 0.00 S ATOM 602 CE MET A 48 -2.261 -6.200 -8.542 1.00 0.00 C ATOM 0 H MET A 48 2.520 -8.767 -6.648 1.00 0.00 H new ATOM 0 HA MET A 48 0.024 -10.056 -6.011 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.351 -8.601 -7.480 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.736 -7.698 -6.110 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.257 -7.049 -7.693 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.226 -7.611 -8.994 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.966 -5.370 -8.500 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.168 -6.545 -9.572 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.624 -7.016 -7.917 1.00 0.00 H new ATOM 610 N GLU A 49 0.106 -11.156 -8.248 1.00 0.00 N ATOM 611 CA GLU A 49 0.334 -11.963 -9.434 1.00 0.00 C ATOM 612 C GLU A 49 -0.553 -11.480 -10.583 1.00 0.00 C ATOM 613 O GLU A 49 -1.753 -11.748 -10.601 1.00 0.00 O ATOM 614 CB GLU A 49 0.094 -13.446 -9.143 1.00 0.00 C ATOM 615 CG GLU A 49 0.210 -14.281 -10.420 1.00 0.00 C ATOM 616 CD GLU A 49 -0.259 -15.717 -10.180 1.00 0.00 C ATOM 617 OE1 GLU A 49 -0.032 -16.207 -9.053 1.00 0.00 O ATOM 618 OE2 GLU A 49 -0.832 -16.293 -11.130 1.00 0.00 O ATOM 0 H GLU A 49 -0.673 -11.464 -7.666 1.00 0.00 H new ATOM 0 HA GLU A 49 1.376 -11.849 -9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.817 -13.798 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.896 -13.579 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.387 -13.827 -11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.244 -14.285 -10.764 1.00 0.00 H new ATOM 623 N VAL A 50 0.071 -10.775 -11.515 1.00 0.00 N ATOM 624 CA VAL A 50 -0.645 -10.252 -12.664 1.00 0.00 C ATOM 625 C VAL A 50 0.174 -10.507 -13.932 1.00 0.00 C ATOM 626 O VAL A 50 1.399 -10.611 -13.872 1.00 0.00 O ATOM 627 CB VAL A 50 -0.970 -8.772 -12.450 1.00 0.00 C ATOM 628 CG1 VAL A 50 0.230 -8.028 -11.861 1.00 0.00 C ATOM 629 CG2 VAL A 50 -1.435 -8.119 -13.753 1.00 0.00 C ATOM 0 H VAL A 50 1.067 -10.554 -11.497 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.598 -10.766 -12.785 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.789 -8.708 -11.733 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.027 -6.978 -11.719 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.497 -8.470 -10.901 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.077 -8.105 -12.543 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.660 -7.068 -13.573 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.647 -8.199 -14.502 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.331 -8.625 -14.114 1.00 0.00 H new ATOM 639 N MET A 51 -0.534 -10.599 -15.047 1.00 0.00 N ATOM 640 CA MET A 51 0.112 -10.840 -16.326 1.00 0.00 C ATOM 641 C MET A 51 1.003 -12.083 -16.265 1.00 0.00 C ATOM 642 O MET A 51 1.969 -12.196 -17.018 1.00 0.00 O ATOM 643 CB MET A 51 0.959 -9.624 -16.708 1.00 0.00 C ATOM 644 CG MET A 51 0.126 -8.595 -17.476 1.00 0.00 C ATOM 645 SD MET A 51 0.688 -8.494 -19.167 1.00 0.00 S ATOM 646 CE MET A 51 1.837 -7.135 -19.030 1.00 0.00 C ATOM 0 H MET A 51 -1.549 -10.511 -15.092 1.00 0.00 H new ATOM 0 HA MET A 51 -0.661 -11.006 -17.076 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.370 -9.166 -15.809 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.804 -9.942 -17.319 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.927 -8.875 -17.450 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.208 -7.619 -16.998 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.624 -7.247 -19.776 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.311 -6.195 -19.197 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.279 -7.131 -18.034 1.00 0.00 H new ATOM 654 N LYS A 52 0.646 -12.983 -15.361 1.00 0.00 N ATOM 655 CA LYS A 52 1.402 -14.213 -15.191 1.00 0.00 C ATOM 656 C LYS A 52 2.731 -13.900 -14.501 1.00 0.00 C ATOM 657 O LYS A 52 3.580 -14.778 -14.355 1.00 0.00 O ATOM 658 CB LYS A 52 1.559 -14.934 -16.532 1.00 0.00 C ATOM 659 CG LYS A 52 0.835 -16.282 -16.518 1.00 0.00 C ATOM 660 CD LYS A 52 1.536 -17.290 -17.432 1.00 0.00 C ATOM 661 CE LYS A 52 0.982 -18.700 -17.219 1.00 0.00 C ATOM 662 NZ LYS A 52 1.308 -19.564 -18.375 1.00 0.00 N ATOM 0 H LYS A 52 -0.156 -12.886 -14.739 1.00 0.00 H new ATOM 0 HA LYS A 52 0.863 -14.905 -14.544 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.160 -14.311 -17.333 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.617 -15.088 -16.745 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.802 -16.670 -15.500 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.197 -16.148 -16.842 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.403 -16.996 -18.473 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.608 -17.283 -17.233 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.400 -19.128 -16.308 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.099 -18.656 -17.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.925 -20.518 -18.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.888 -19.163 -19.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.341 -19.620 -18.486 1.00 0.00 H new ATOM 672 N MET A 53 2.869 -12.646 -14.096 1.00 0.00 N ATOM 673 CA MET A 53 4.080 -12.207 -13.424 1.00 0.00 C ATOM 674 C MET A 53 3.761 -11.604 -12.055 1.00 0.00 C ATOM 675 O MET A 53 2.703 -11.006 -11.868 1.00 0.00 O ATOM 676 CB MET A 53 4.792 -11.163 -14.288 1.00 0.00 C ATOM 677 CG MET A 53 3.908 -9.933 -14.503 1.00 0.00 C ATOM 678 SD MET A 53 4.905 -8.547 -15.020 1.00 0.00 S ATOM 679 CE MET A 53 4.808 -8.738 -16.792 1.00 0.00 C ATOM 0 H MET A 53 2.163 -11.921 -14.220 1.00 0.00 H new ATOM 0 HA MET A 53 4.725 -13.073 -13.276 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.725 -10.865 -13.810 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.053 -11.600 -15.252 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.150 -10.147 -15.256 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.381 -9.688 -13.581 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.381 -7.947 -17.275 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.217 -9.708 -17.076 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.767 -8.676 -17.108 1.00 0.00 H new ATOM 687 N ILE A 54 4.695 -11.782 -11.133 1.00 0.00 N ATOM 688 CA ILE A 54 4.526 -11.264 -9.786 1.00 0.00 C ATOM 689 C ILE A 54 4.973 -9.801 -9.748 1.00 0.00 C ATOM 690 O ILE A 54 6.164 -9.509 -9.839 1.00 0.00 O ATOM 691 CB ILE A 54 5.250 -12.154 -8.775 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.801 -13.612 -8.907 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.068 -11.626 -7.350 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.275 -13.713 -8.955 1.00 0.00 C ATOM 0 H ILE A 54 5.572 -12.278 -11.292 1.00 0.00 H new ATOM 0 HA ILE A 54 3.475 -11.285 -9.499 1.00 0.00 H new ATOM 0 HB ILE A 54 6.317 -12.124 -8.996 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.227 -14.047 -9.811 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.181 -14.191 -8.065 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.593 -12.277 -6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.475 -10.617 -7.281 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.007 -11.607 -7.102 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.982 -14.759 -9.049 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.854 -13.299 -8.039 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.900 -13.153 -9.812 1.00 0.00 H new ATOM 705 N MET A 55 3.993 -8.920 -9.612 1.00 0.00 N ATOM 706 CA MET A 55 4.270 -7.494 -9.561 1.00 0.00 C ATOM 707 C MET A 55 4.270 -6.987 -8.117 1.00 0.00 C ATOM 708 O MET A 55 3.433 -7.395 -7.313 1.00 0.00 O ATOM 709 CB MET A 55 3.212 -6.739 -10.368 1.00 0.00 C ATOM 710 CG MET A 55 3.478 -5.232 -10.346 1.00 0.00 C ATOM 711 SD MET A 55 4.119 -4.702 -11.924 1.00 0.00 S ATOM 712 CE MET A 55 5.611 -5.678 -11.998 1.00 0.00 C ATOM 0 H MET A 55 3.006 -9.166 -9.536 1.00 0.00 H new ATOM 0 HA MET A 55 5.258 -7.319 -9.988 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.211 -7.097 -11.398 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.223 -6.943 -9.959 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.557 -4.695 -10.120 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.189 -4.992 -9.556 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.241 -5.319 -12.812 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.151 -5.589 -11.055 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.354 -6.723 -12.172 1.00 0.00 H new ATOM 720 N THR A 56 5.216 -6.105 -7.833 1.00 0.00 N ATOM 721 CA THR A 56 5.336 -5.539 -6.501 1.00 0.00 C ATOM 722 C THR A 56 4.328 -4.402 -6.312 1.00 0.00 C ATOM 723 O THR A 56 3.995 -3.699 -7.265 1.00 0.00 O ATOM 724 CB THR A 56 6.788 -5.103 -6.300 1.00 0.00 C ATOM 725 OG1 THR A 56 7.538 -6.023 -7.089 1.00 0.00 O ATOM 726 CG2 THR A 56 7.282 -5.346 -4.872 1.00 0.00 C ATOM 0 H THR A 56 5.907 -5.768 -8.503 1.00 0.00 H new ATOM 0 HA THR A 56 5.095 -6.276 -5.735 1.00 0.00 H new ATOM 0 HB THR A 56 6.886 -4.044 -6.541 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.790 -5.598 -7.936 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.318 -5.019 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.664 -4.784 -4.172 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.217 -6.409 -4.640 1.00 0.00 H new ATOM 734 N LEU A 57 3.873 -4.258 -5.077 1.00 0.00 N ATOM 735 CA LEU A 57 2.910 -3.218 -4.752 1.00 0.00 C ATOM 736 C LEU A 57 3.582 -2.165 -3.869 1.00 0.00 C ATOM 737 O LEU A 57 4.075 -2.480 -2.787 1.00 0.00 O ATOM 738 CB LEU A 57 1.652 -3.828 -4.132 1.00 0.00 C ATOM 739 CG LEU A 57 0.461 -4.014 -5.075 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.682 -4.754 -4.376 1.00 0.00 C ATOM 741 CD2 LEU A 57 0.007 -2.674 -5.655 1.00 0.00 C ATOM 0 H LEU A 57 4.152 -4.843 -4.289 1.00 0.00 H new ATOM 0 HA LEU A 57 2.577 -2.710 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.913 -4.800 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.337 -3.196 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 57 0.781 -4.635 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.516 -4.873 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.336 -5.736 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.010 -4.181 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.840 -2.834 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.290 -2.009 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.827 -2.222 -6.213 1.00 0.00 H new ATOM 752 N ASN A 58 3.581 -0.935 -4.364 1.00 0.00 N ATOM 753 CA ASN A 58 4.185 0.165 -3.633 1.00 0.00 C ATOM 754 C ASN A 58 3.082 1.047 -3.044 1.00 0.00 C ATOM 755 O ASN A 58 1.922 0.946 -3.443 1.00 0.00 O ATOM 756 CB ASN A 58 5.042 1.034 -4.555 1.00 0.00 C ATOM 757 CG ASN A 58 6.128 0.201 -5.239 1.00 0.00 C ATOM 758 OD1 ASN A 58 6.396 -0.933 -4.880 1.00 0.00 O ATOM 759 ND2 ASN A 58 6.737 0.827 -6.243 1.00 0.00 N ATOM 0 H ASN A 58 3.172 -0.677 -5.262 1.00 0.00 H new ATOM 0 HA ASN A 58 4.813 -0.256 -2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.410 1.504 -5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.503 1.837 -3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.477 0.356 -6.764 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.464 1.778 -6.492 1.00 0.00 H new ATOM 765 N VAL A 59 3.481 1.892 -2.104 1.00 0.00 N ATOM 766 CA VAL A 59 2.540 2.790 -1.458 1.00 0.00 C ATOM 767 C VAL A 59 2.438 4.085 -2.266 1.00 0.00 C ATOM 768 O VAL A 59 3.440 4.579 -2.782 1.00 0.00 O ATOM 769 CB VAL A 59 2.956 3.025 -0.004 1.00 0.00 C ATOM 770 CG1 VAL A 59 3.046 1.704 0.761 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.278 3.793 0.070 1.00 0.00 C ATOM 0 H VAL A 59 4.443 1.973 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 59 1.545 2.345 -1.431 1.00 0.00 H new ATOM 0 HB VAL A 59 2.187 3.634 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.343 1.900 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.074 1.211 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.785 1.058 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.551 3.947 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.060 3.221 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.166 4.759 -0.422 1.00 0.00 H new ATOM 781 N GLN A 60 1.220 4.596 -2.353 1.00 0.00 N ATOM 782 CA GLN A 60 0.973 5.824 -3.092 1.00 0.00 C ATOM 783 C GLN A 60 1.641 7.009 -2.389 1.00 0.00 C ATOM 784 O GLN A 60 1.986 8.001 -3.029 1.00 0.00 O ATOM 785 CB GLN A 60 -0.526 6.066 -3.270 1.00 0.00 C ATOM 786 CG GLN A 60 -1.001 5.579 -4.640 1.00 0.00 C ATOM 787 CD GLN A 60 -0.693 4.093 -4.832 1.00 0.00 C ATOM 788 OE1 GLN A 60 0.073 3.698 -5.696 1.00 0.00 O ATOM 789 NE2 GLN A 60 -1.329 3.294 -3.980 1.00 0.00 N ATOM 0 H GLN A 60 0.392 4.183 -1.924 1.00 0.00 H new ATOM 0 HA GLN A 60 1.410 5.721 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.077 5.548 -2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.742 7.129 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.074 5.747 -4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.515 6.159 -5.424 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.957 3.691 -3.281 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.189 2.285 -4.026 1.00 0.00 H new ATOM 796 N GLU A 61 1.801 6.865 -1.081 1.00 0.00 N ATOM 797 CA GLU A 61 2.420 7.911 -0.285 1.00 0.00 C ATOM 798 C GLU A 61 2.943 7.336 1.033 1.00 0.00 C ATOM 799 O GLU A 61 2.252 6.560 1.693 1.00 0.00 O ATOM 800 CB GLU A 61 1.441 9.060 -0.032 1.00 0.00 C ATOM 801 CG GLU A 61 1.016 9.717 -1.346 1.00 0.00 C ATOM 802 CD GLU A 61 0.259 11.021 -1.087 1.00 0.00 C ATOM 803 OE1 GLU A 61 -0.781 10.947 -0.400 1.00 0.00 O ATOM 804 OE2 GLU A 61 0.739 12.063 -1.584 1.00 0.00 O ATOM 0 H GLU A 61 1.513 6.041 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 61 3.265 8.314 -0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.562 8.685 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.906 9.803 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.896 9.918 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.385 9.032 -1.912 1.00 0.00 H new ATOM 809 N ARG A 62 4.157 7.739 1.378 1.00 0.00 N ATOM 810 CA ARG A 62 4.780 7.272 2.605 1.00 0.00 C ATOM 811 C ARG A 62 3.731 7.126 3.710 1.00 0.00 C ATOM 812 O ARG A 62 2.738 7.852 3.729 1.00 0.00 O ATOM 813 CB ARG A 62 5.870 8.239 3.071 1.00 0.00 C ATOM 814 CG ARG A 62 5.274 9.596 3.451 1.00 0.00 C ATOM 815 CD ARG A 62 5.603 10.654 2.395 1.00 0.00 C ATOM 816 NE ARG A 62 6.274 11.811 3.030 1.00 0.00 N ATOM 817 CZ ARG A 62 6.645 12.917 2.372 1.00 0.00 C ATOM 818 NH1 ARG A 62 6.414 13.025 1.057 1.00 0.00 N ATOM 819 NH2 ARG A 62 7.248 13.917 3.030 1.00 0.00 N ATOM 0 H ARG A 62 4.726 8.384 0.829 1.00 0.00 H new ATOM 0 HA ARG A 62 5.234 6.303 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.395 7.816 3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.607 8.371 2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.193 9.506 3.556 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.663 9.910 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.247 10.226 1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.689 10.980 1.898 1.00 0.00 H new ATOM 0 HE ARG A 62 6.466 11.763 4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.955 12.264 0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.697 13.868 0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.424 13.835 4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.531 14.759 2.529 1.00 0.00 H new ATOM 830 N GLY A 63 3.987 6.182 4.604 1.00 0.00 N ATOM 831 CA GLY A 63 3.077 5.931 5.708 1.00 0.00 C ATOM 832 C GLY A 63 3.290 4.530 6.286 1.00 0.00 C ATOM 833 O GLY A 63 4.422 4.056 6.375 1.00 0.00 O ATOM 0 H GLY A 63 4.812 5.582 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.231 6.677 6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.047 6.035 5.366 1.00 0.00 H new ATOM 837 N ARG A 64 2.184 3.907 6.665 1.00 0.00 N ATOM 838 CA ARG A 64 2.235 2.570 7.231 1.00 0.00 C ATOM 839 C ARG A 64 1.207 1.665 6.549 1.00 0.00 C ATOM 840 O ARG A 64 0.085 2.087 6.279 1.00 0.00 O ATOM 841 CB ARG A 64 1.959 2.599 8.736 1.00 0.00 C ATOM 842 CG ARG A 64 3.264 2.558 9.534 1.00 0.00 C ATOM 843 CD ARG A 64 2.986 2.533 11.038 1.00 0.00 C ATOM 844 NE ARG A 64 3.643 3.687 11.693 1.00 0.00 N ATOM 845 CZ ARG A 64 3.332 4.131 12.918 1.00 0.00 C ATOM 846 NH1 ARG A 64 2.373 3.523 13.629 1.00 0.00 N ATOM 847 NH2 ARG A 64 3.981 5.186 13.433 1.00 0.00 N ATOM 0 H ARG A 64 1.247 4.304 6.591 1.00 0.00 H new ATOM 0 HA ARG A 64 3.238 2.177 7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.402 3.501 8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.334 1.750 9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.839 1.676 9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.873 3.428 9.287 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.911 2.565 11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.354 1.602 11.469 1.00 0.00 H new ATOM 0 HE ARG A 64 4.378 4.174 11.180 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.879 2.721 13.238 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.137 3.862 14.562 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.711 5.650 12.892 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.745 5.525 14.366 1.00 0.00 H new ATOM 858 N VAL A 65 1.630 0.435 6.289 1.00 0.00 N ATOM 859 CA VAL A 65 0.760 -0.533 5.643 1.00 0.00 C ATOM 860 C VAL A 65 -0.027 -1.297 6.710 1.00 0.00 C ATOM 861 O VAL A 65 0.531 -1.699 7.729 1.00 0.00 O ATOM 862 CB VAL A 65 1.583 -1.451 4.735 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.719 -2.581 4.172 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.249 -0.656 3.611 1.00 0.00 C ATOM 0 H VAL A 65 2.562 0.088 6.514 1.00 0.00 H new ATOM 0 HA VAL A 65 0.035 -0.029 5.004 1.00 0.00 H new ATOM 0 HB VAL A 65 2.372 -1.901 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.327 -3.219 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.314 -3.173 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.100 -2.158 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.827 -1.332 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.484 -0.165 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.911 0.096 4.040 1.00 0.00 H new ATOM 874 N LYS A 66 -1.312 -1.472 6.439 1.00 0.00 N ATOM 875 CA LYS A 66 -2.182 -2.179 7.363 1.00 0.00 C ATOM 876 C LYS A 66 -2.902 -3.306 6.618 1.00 0.00 C ATOM 877 O LYS A 66 -2.992 -3.284 5.391 1.00 0.00 O ATOM 878 CB LYS A 66 -3.129 -1.203 8.062 1.00 0.00 C ATOM 879 CG LYS A 66 -2.578 -0.787 9.427 1.00 0.00 C ATOM 880 CD LYS A 66 -2.958 -1.805 10.505 1.00 0.00 C ATOM 881 CE LYS A 66 -3.134 -1.124 11.864 1.00 0.00 C ATOM 882 NZ LYS A 66 -4.053 -1.908 12.720 1.00 0.00 N ATOM 0 H LYS A 66 -1.772 -1.136 5.593 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.597 -2.643 8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.272 -0.320 7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.108 -1.667 8.187 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.493 -0.697 9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.967 0.195 9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.883 -2.309 10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.186 -2.571 10.575 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.166 -1.024 12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.527 -0.117 11.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.162 -1.433 13.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.981 -1.982 12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.662 -2.861 12.867 1.00 0.00 H new ATOM 892 N TYR A 67 -3.394 -4.263 7.391 1.00 0.00 N ATOM 893 CA TYR A 67 -4.102 -5.396 6.819 1.00 0.00 C ATOM 894 C TYR A 67 -5.592 -5.088 6.661 1.00 0.00 C ATOM 895 O TYR A 67 -6.299 -4.899 7.650 1.00 0.00 O ATOM 896 CB TYR A 67 -3.934 -6.545 7.816 1.00 0.00 C ATOM 897 CG TYR A 67 -5.116 -7.515 7.852 1.00 0.00 C ATOM 898 CD1 TYR A 67 -5.432 -8.260 6.734 1.00 0.00 C ATOM 899 CD2 TYR A 67 -5.866 -7.645 9.003 1.00 0.00 C ATOM 900 CE1 TYR A 67 -6.545 -9.173 6.769 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.979 -8.559 9.037 1.00 0.00 C ATOM 902 CZ TYR A 67 -7.263 -9.277 7.919 1.00 0.00 C ATOM 903 OH TYR A 67 -8.314 -10.140 7.951 1.00 0.00 O ATOM 0 H TYR A 67 -3.316 -4.277 8.408 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.707 -5.637 5.832 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.029 -7.100 7.566 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.788 -6.129 8.813 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.845 -8.158 5.833 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.619 -7.062 9.878 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.804 -9.762 5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.574 -8.671 9.931 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.734 -10.111 8.836 1.00 0.00 H new ATOM 912 N ILE A 68 -6.025 -5.047 5.410 1.00 0.00 N ATOM 913 CA ILE A 68 -7.419 -4.765 5.109 1.00 0.00 C ATOM 914 C ILE A 68 -8.080 -6.025 4.545 1.00 0.00 C ATOM 915 O ILE A 68 -9.041 -6.535 5.117 1.00 0.00 O ATOM 916 CB ILE A 68 -7.533 -3.546 4.191 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.917 -2.308 4.845 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.985 -3.311 3.770 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.372 -2.171 6.299 1.00 0.00 C ATOM 0 H ILE A 68 -5.436 -5.204 4.593 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.959 -4.502 6.018 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.964 -3.747 3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.830 -2.375 4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.202 -1.417 4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.038 -2.439 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.355 -4.186 3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.597 -3.140 4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.919 -1.283 6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.458 -2.080 6.333 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.064 -3.052 6.861 1.00 0.00 H new ATOM 930 N LYS A 69 -7.536 -6.490 3.430 1.00 0.00 N ATOM 931 CA LYS A 69 -8.061 -7.680 2.781 1.00 0.00 C ATOM 932 C LYS A 69 -7.170 -8.876 3.124 1.00 0.00 C ATOM 933 O LYS A 69 -5.970 -8.719 3.338 1.00 0.00 O ATOM 934 CB LYS A 69 -8.224 -7.444 1.279 1.00 0.00 C ATOM 935 CG LYS A 69 -9.312 -6.404 1.002 1.00 0.00 C ATOM 936 CD LYS A 69 -10.688 -6.927 1.417 1.00 0.00 C ATOM 937 CE LYS A 69 -11.041 -6.475 2.836 1.00 0.00 C ATOM 938 NZ LYS A 69 -11.423 -7.636 3.669 1.00 0.00 N ATOM 0 H LYS A 69 -6.737 -6.065 2.959 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.060 -7.909 3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.278 -7.107 0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.478 -8.382 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.089 -5.486 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.319 -6.153 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.444 -6.568 0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.698 -8.016 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.189 -5.963 3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.862 -5.758 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.315 -7.431 4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.547 -8.472 3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.676 -7.823 4.368 1.00 0.00 H new ATOM 948 N ARG A 70 -7.794 -10.044 3.164 1.00 0.00 N ATOM 949 CA ARG A 70 -7.072 -11.267 3.476 1.00 0.00 C ATOM 950 C ARG A 70 -6.142 -11.644 2.322 1.00 0.00 C ATOM 951 O ARG A 70 -6.450 -11.381 1.160 1.00 0.00 O ATOM 952 CB ARG A 70 -8.038 -12.423 3.743 1.00 0.00 C ATOM 953 CG ARG A 70 -8.176 -12.687 5.244 1.00 0.00 C ATOM 954 CD ARG A 70 -7.856 -14.146 5.576 1.00 0.00 C ATOM 955 NE ARG A 70 -9.080 -14.971 5.467 1.00 0.00 N ATOM 956 CZ ARG A 70 -9.079 -16.306 5.364 1.00 0.00 C ATOM 957 NH1 ARG A 70 -7.919 -16.977 5.353 1.00 0.00 N ATOM 958 NH2 ARG A 70 -10.238 -16.972 5.271 1.00 0.00 N ATOM 0 H ARG A 70 -8.790 -10.170 2.986 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.484 -11.085 4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.015 -12.190 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.680 -13.323 3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.505 -12.029 5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.190 -12.451 5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.092 -14.523 4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.448 -14.217 6.584 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.981 -14.493 5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.036 -16.471 5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.919 -17.994 5.275 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.121 -16.462 5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.237 -17.989 5.193 1.00 0.00 H new ATOM 969 N PRO A 71 -4.993 -12.270 2.690 1.00 0.00 N ATOM 970 CA PRO A 71 -4.016 -12.686 1.698 1.00 0.00 C ATOM 971 C PRO A 71 -4.493 -13.930 0.947 1.00 0.00 C ATOM 972 O PRO A 71 -4.825 -14.942 1.562 1.00 0.00 O ATOM 973 CB PRO A 71 -2.735 -12.920 2.483 1.00 0.00 C ATOM 974 CG PRO A 71 -3.157 -13.078 3.934 1.00 0.00 C ATOM 975 CD PRO A 71 -4.594 -12.597 4.056 1.00 0.00 C ATOM 0 HA PRO A 71 -3.860 -11.938 0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.217 -13.811 2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.047 -12.083 2.366 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.075 -14.120 4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.504 -12.499 4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.235 -13.369 4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.666 -11.727 4.709 1.00 0.00 H new ATOM 980 N GLY A 72 -4.511 -13.814 -0.373 1.00 0.00 N ATOM 981 CA GLY A 72 -4.942 -14.917 -1.215 1.00 0.00 C ATOM 982 C GLY A 72 -6.276 -14.600 -1.894 1.00 0.00 C ATOM 983 O GLY A 72 -7.000 -15.507 -2.301 1.00 0.00 O ATOM 0 H GLY A 72 -4.234 -12.973 -0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.184 -15.119 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.042 -15.821 -0.614 1.00 0.00 H new ATOM 987 N ALA A 73 -6.560 -13.310 -1.994 1.00 0.00 N ATOM 988 CA ALA A 73 -7.795 -12.862 -2.616 1.00 0.00 C ATOM 989 C ALA A 73 -7.537 -12.564 -4.094 1.00 0.00 C ATOM 990 O ALA A 73 -6.389 -12.534 -4.534 1.00 0.00 O ATOM 991 CB ALA A 73 -8.335 -11.645 -1.862 1.00 0.00 C ATOM 0 H ALA A 73 -5.957 -12.561 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.555 -13.641 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.261 -11.309 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.529 -11.917 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.600 -10.841 -1.895 1.00 0.00 H new ATOM 997 N VAL A 74 -8.625 -12.352 -4.821 1.00 0.00 N ATOM 998 CA VAL A 74 -8.531 -12.057 -6.241 1.00 0.00 C ATOM 999 C VAL A 74 -8.338 -10.552 -6.433 1.00 0.00 C ATOM 1000 O VAL A 74 -9.286 -9.780 -6.301 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.760 -12.602 -6.970 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -11.008 -11.786 -6.625 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.530 -12.637 -8.482 1.00 0.00 C ATOM 0 H VAL A 74 -9.576 -12.379 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.665 -12.553 -6.679 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.924 -13.625 -6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.868 -12.194 -7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.189 -11.834 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.857 -10.748 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.419 -13.029 -8.976 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.329 -11.628 -8.843 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.678 -13.279 -8.706 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.105 -10.181 -6.744 1.00 0.00 N ATOM 1014 CA LEU A 75 -6.777 -8.781 -6.958 1.00 0.00 C ATOM 1015 C LEU A 75 -7.461 -8.289 -8.234 1.00 0.00 C ATOM 1016 O LEU A 75 -7.158 -8.764 -9.328 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.259 -8.581 -6.957 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.709 -7.623 -5.898 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -4.840 -6.169 -6.354 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.379 -7.861 -4.543 1.00 0.00 C ATOM 0 H LEU A 75 -6.321 -10.825 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.157 -8.171 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.785 -9.553 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.960 -8.215 -7.939 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.646 -7.827 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.442 -5.509 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.281 -6.026 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.891 -5.935 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.970 -7.167 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.453 -7.701 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.191 -8.885 -4.219 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.372 -7.344 -8.053 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.102 -6.783 -9.177 1.00 0.00 C ATOM 1033 C GLU A 76 -8.776 -5.296 -9.331 1.00 0.00 C ATOM 1034 O GLU A 76 -8.403 -4.635 -8.364 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.607 -7.002 -9.017 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.160 -7.863 -10.154 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.674 -8.039 -10.022 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -13.129 -8.203 -8.868 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -13.344 -8.006 -11.076 1.00 0.00 O ATOM 0 H GLU A 76 -8.621 -6.953 -7.145 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.789 -7.299 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.808 -7.484 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.119 -6.040 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.926 -7.400 -11.113 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.675 -8.839 -10.145 1.00 0.00 H new ATOM 1044 N ALA A 77 -8.930 -4.814 -10.556 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.657 -3.417 -10.850 1.00 0.00 C ATOM 1046 C ALA A 77 -9.599 -2.534 -10.028 1.00 0.00 C ATOM 1047 O ALA A 77 -10.805 -2.773 -9.990 1.00 0.00 O ATOM 1048 CB ALA A 77 -8.797 -3.175 -12.354 1.00 0.00 C ATOM 0 H ALA A 77 -9.240 -5.366 -11.356 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.635 -3.159 -10.572 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.592 -2.127 -12.575 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.088 -3.804 -12.891 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.811 -3.421 -12.669 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.012 -1.533 -9.389 1.00 0.00 N ATOM 1055 CA GLY A 78 -9.783 -0.613 -8.570 1.00 0.00 C ATOM 1056 C GLY A 78 -10.458 -1.347 -7.409 1.00 0.00 C ATOM 1057 O GLY A 78 -11.682 -1.326 -7.284 1.00 0.00 O ATOM 0 H GLY A 78 -8.011 -1.339 -9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.130 0.168 -8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.539 -0.121 -9.182 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.630 -1.978 -6.589 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.132 -2.718 -5.443 1.00 0.00 C ATOM 1063 C CYS A 79 -9.308 -2.319 -4.217 1.00 0.00 C ATOM 1064 O CYS A 79 -8.319 -1.598 -4.336 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.099 -4.228 -5.685 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.686 -4.780 -6.411 1.00 0.00 S ATOM 0 H CYS A 79 -8.616 -1.992 -6.695 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.179 -2.467 -5.275 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.276 -4.480 -6.354 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.917 -4.751 -4.746 1.00 0.00 H new ATOM 0 HG CYS A 79 -11.647 -6.063 -6.615 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.749 -2.804 -3.066 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.066 -2.507 -1.818 1.00 0.00 C ATOM 1073 C VAL A 80 -8.126 -3.663 -1.468 1.00 0.00 C ATOM 1074 O VAL A 80 -8.472 -4.828 -1.661 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.088 -2.213 -0.718 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.946 -3.446 -0.425 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.398 -1.710 0.552 1.00 0.00 C ATOM 0 H VAL A 80 -10.571 -3.401 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.454 -1.611 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.748 -1.422 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.664 -3.211 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.480 -3.741 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.306 -4.265 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.147 -1.509 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.704 -2.469 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.851 -0.794 0.330 1.00 0.00 H new ATOM 1087 N VAL A 81 -6.957 -3.301 -0.961 1.00 0.00 N ATOM 1088 CA VAL A 81 -5.965 -4.294 -0.583 1.00 0.00 C ATOM 1089 C VAL A 81 -5.537 -4.054 0.866 1.00 0.00 C ATOM 1090 O VAL A 81 -5.727 -4.914 1.725 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.794 -4.264 -1.566 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.821 -5.414 -1.294 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.291 -4.295 -3.012 1.00 0.00 C ATOM 0 H VAL A 81 -6.674 -2.334 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.389 -5.297 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.256 -3.328 -1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.997 -5.370 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.429 -5.327 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.343 -6.365 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.438 -4.273 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.865 -5.206 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.925 -3.428 -3.198 1.00 0.00 H new ATOM 1103 N ALA A 82 -4.966 -2.880 1.094 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.509 -2.515 2.424 1.00 0.00 C ATOM 1105 C ALA A 82 -4.856 -1.050 2.696 1.00 0.00 C ATOM 1106 O ALA A 82 -5.412 -0.371 1.833 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.009 -2.790 2.542 1.00 0.00 C ATOM 0 H ALA A 82 -4.809 -2.169 0.379 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.012 -3.118 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.666 -2.516 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.819 -3.850 2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.471 -2.201 1.799 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.515 -0.607 3.896 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.783 0.766 4.291 1.00 0.00 C ATOM 1115 C ARG A 83 -3.475 1.498 4.592 1.00 0.00 C ATOM 1116 O ARG A 83 -2.523 0.896 5.086 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.684 0.817 5.527 1.00 0.00 C ATOM 1118 CG ARG A 83 -5.628 2.195 6.190 1.00 0.00 C ATOM 1119 CD ARG A 83 -6.160 3.277 5.249 1.00 0.00 C ATOM 1120 NE ARG A 83 -7.480 3.754 5.721 1.00 0.00 N ATOM 1121 CZ ARG A 83 -7.656 4.546 6.787 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -6.597 4.956 7.499 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -8.890 4.929 7.142 1.00 0.00 N ATOM 0 H ARG A 83 -4.055 -1.174 4.609 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.294 1.255 3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.711 0.588 5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.373 0.054 6.240 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.216 2.185 7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.601 2.426 6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.458 4.109 5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.248 2.880 4.238 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.308 3.461 5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.657 4.665 7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.731 5.559 8.311 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.696 4.617 6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.023 5.532 7.954 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.469 2.786 4.282 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.292 3.606 4.512 1.00 0.00 C ATOM 1136 C LEU A 84 -2.537 4.513 5.721 1.00 0.00 C ATOM 1137 O LEU A 84 -3.608 5.104 5.850 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.910 4.366 3.241 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.441 4.777 3.121 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.142 6.000 3.990 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.485 3.603 3.446 1.00 0.00 C ATOM 0 H LEU A 84 -4.261 3.282 3.873 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.432 2.980 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.165 3.747 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.524 5.264 3.180 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.249 5.062 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.909 6.272 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.766 6.835 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.355 5.766 5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.523 3.922 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.299 3.264 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.293 2.785 2.751 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.527 4.595 6.574 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.620 5.420 7.766 1.00 0.00 C ATOM 1154 C GLU A 85 -0.441 6.394 7.831 1.00 0.00 C ATOM 1155 O GLU A 85 0.631 6.045 8.323 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.687 4.556 9.027 1.00 0.00 C ATOM 1157 CG GLU A 85 -1.754 5.425 10.284 1.00 0.00 C ATOM 1158 CD GLU A 85 -2.603 4.758 11.368 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -2.120 3.749 11.926 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -3.716 5.272 11.615 1.00 0.00 O ATOM 0 H GLU A 85 -0.640 4.104 6.463 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.542 5.999 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.562 3.908 8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.812 3.908 9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.747 5.601 10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.176 6.399 10.035 1.00 0.00 H new