USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 931 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0872 (180deg=-0.51) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 1.01 (180deg=0.904) USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.119) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0507 USER MOD Single : A 56 THR OG1 : rot 43:sc= 0.612 USER MOD Single : A 59 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.42) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.288 F(o=-0.91,f=-0.29) USER MOD Single : A 81 ASN : amide:sc= -0.0849 K(o=-0.085,f=-0.75) USER MOD Single : A 82 ASN : amide:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 83 THR OG1 : rot 74:sc= 1.14 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -178:sc= -0.682 (180deg=-0.705) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 95 TYR OH : rot 150:sc= 0.242 USER MOD Single : A 98 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.0026) USER MOD Single : A 99 HIS : no HE2:sc= 0.922 K(o=0.92,f=-3.3!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -125:sc= 0.0217 USER MOD Single : A 113 SER OG : rot 46:sc= 0.415 USER MOD Single : B 732 TYR OH : rot -149:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 197 N HIS A 9 -10.044 12.975 4.510 1.00 0.00 N ATOM 198 CA HIS A 9 -11.261 13.752 4.313 1.00 0.00 C ATOM 199 C HIS A 9 -12.428 12.851 3.883 1.00 0.00 C ATOM 200 O HIS A 9 -13.397 12.799 4.645 1.00 0.00 O ATOM 201 CB HIS A 9 -11.036 14.896 3.315 1.00 0.00 C ATOM 202 CG HIS A 9 -10.505 16.148 3.951 1.00 0.00 C ATOM 203 ND1 HIS A 9 -11.176 17.344 4.042 1.00 0.00 N ATOM 204 CD2 HIS A 9 -9.281 16.303 4.536 1.00 0.00 C ATOM 205 CE1 HIS A 9 -10.366 18.218 4.653 1.00 0.00 C ATOM 206 NE2 HIS A 9 -9.184 17.641 4.947 1.00 0.00 N ATOM 0 HA HIS A 9 -11.528 14.202 5.269 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.339 14.565 2.545 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.978 15.123 2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.528 15.539 4.659 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -10.624 19.242 4.879 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.378 18.089 5.383 1.00 0.00 H new ATOM 214 N PRO A 10 -12.379 12.116 2.752 1.00 0.00 N ATOM 215 CA PRO A 10 -13.452 11.243 2.277 1.00 0.00 C ATOM 216 C PRO A 10 -13.571 9.938 3.091 1.00 0.00 C ATOM 217 O PRO A 10 -13.708 8.869 2.501 1.00 0.00 O ATOM 218 CB PRO A 10 -13.110 11.003 0.795 1.00 0.00 C ATOM 219 CG PRO A 10 -11.592 10.980 0.792 1.00 0.00 C ATOM 220 CD PRO A 10 -11.300 12.106 1.774 1.00 0.00 C ATOM 0 HA PRO A 10 -14.436 11.696 2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.528 10.064 0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.503 11.795 0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.190 10.023 1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.176 11.173 -0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.339 11.950 2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.242 13.063 1.256 1.00 0.00 H new ATOM 228 N PHE A 11 -13.564 10.011 4.424 1.00 0.00 N ATOM 229 CA PHE A 11 -13.660 8.891 5.358 1.00 0.00 C ATOM 230 C PHE A 11 -14.857 8.012 4.984 1.00 0.00 C ATOM 231 O PHE A 11 -14.688 6.806 4.827 1.00 0.00 O ATOM 232 CB PHE A 11 -13.772 9.492 6.776 1.00 0.00 C ATOM 233 CG PHE A 11 -13.724 8.631 8.038 1.00 0.00 C ATOM 234 CD1 PHE A 11 -14.313 7.349 8.124 1.00 0.00 C ATOM 235 CD2 PHE A 11 -13.204 9.215 9.214 1.00 0.00 C ATOM 236 CE1 PHE A 11 -14.439 6.701 9.368 1.00 0.00 C ATOM 237 CE2 PHE A 11 -13.311 8.557 10.453 1.00 0.00 C ATOM 238 CZ PHE A 11 -13.963 7.317 10.539 1.00 0.00 C ATOM 0 H PHE A 11 -13.487 10.906 4.907 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.783 8.244 5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -12.971 10.226 6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.713 10.041 6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.669 6.862 7.228 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.718 10.178 9.162 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.903 5.727 9.423 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.890 9.007 11.340 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.098 6.839 11.498 1.00 0.00 H new ATOM 248 N GLU A 12 -16.053 8.576 4.777 1.00 0.00 N ATOM 249 CA GLU A 12 -17.225 7.768 4.430 1.00 0.00 C ATOM 250 C GLU A 12 -17.058 7.024 3.097 1.00 0.00 C ATOM 251 O GLU A 12 -17.551 5.903 2.936 1.00 0.00 O ATOM 252 CB GLU A 12 -18.511 8.606 4.498 1.00 0.00 C ATOM 253 CG GLU A 12 -18.644 9.722 3.443 1.00 0.00 C ATOM 254 CD GLU A 12 -19.863 10.636 3.656 1.00 0.00 C ATOM 255 OE1 GLU A 12 -20.619 10.467 4.645 1.00 0.00 O ATOM 256 OE2 GLU A 12 -20.049 11.587 2.864 1.00 0.00 O ATOM 0 H GLU A 12 -16.233 9.578 4.843 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.317 6.984 5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.364 7.935 4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.575 9.059 5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.739 10.330 3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.710 9.268 2.454 1.00 0.00 H new ATOM 263 N TYR A 13 -16.393 7.636 2.116 1.00 0.00 N ATOM 264 CA TYR A 13 -16.160 7.012 0.819 1.00 0.00 C ATOM 265 C TYR A 13 -15.126 5.909 0.983 1.00 0.00 C ATOM 266 O TYR A 13 -15.342 4.800 0.493 1.00 0.00 O ATOM 267 CB TYR A 13 -15.709 8.045 -0.223 1.00 0.00 C ATOM 268 CG TYR A 13 -16.825 8.487 -1.145 1.00 0.00 C ATOM 269 CD1 TYR A 13 -17.789 9.404 -0.691 1.00 0.00 C ATOM 270 CD2 TYR A 13 -16.928 7.949 -2.442 1.00 0.00 C ATOM 271 CE1 TYR A 13 -18.849 9.788 -1.529 1.00 0.00 C ATOM 272 CE2 TYR A 13 -17.987 8.328 -3.285 1.00 0.00 C ATOM 273 CZ TYR A 13 -18.947 9.261 -2.835 1.00 0.00 C ATOM 274 OH TYR A 13 -19.968 9.643 -3.650 1.00 0.00 O ATOM 0 H TYR A 13 -16.003 8.575 2.201 1.00 0.00 H new ATOM 0 HA TYR A 13 -17.093 6.582 0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.304 8.917 0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.900 7.622 -0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -17.714 9.815 0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.190 7.242 -2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -19.591 10.488 -1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -18.066 7.906 -4.276 1.00 0.00 H new ATOM 0 HH TYR A 13 -19.885 9.187 -4.513 1.00 0.00 H new ATOM 284 N ARG A 14 -14.035 6.210 1.690 1.00 0.00 N ATOM 285 CA ARG A 14 -12.936 5.305 1.973 1.00 0.00 C ATOM 286 C ARG A 14 -13.440 4.087 2.737 1.00 0.00 C ATOM 287 O ARG A 14 -13.111 2.961 2.380 1.00 0.00 O ATOM 288 CB ARG A 14 -11.905 6.080 2.804 1.00 0.00 C ATOM 289 CG ARG A 14 -10.669 5.235 3.091 1.00 0.00 C ATOM 290 CD ARG A 14 -9.649 6.058 3.875 1.00 0.00 C ATOM 291 NE ARG A 14 -8.411 5.294 4.041 1.00 0.00 N ATOM 292 CZ ARG A 14 -7.442 5.175 3.131 1.00 0.00 C ATOM 293 NH1 ARG A 14 -7.617 5.663 1.904 1.00 0.00 N ATOM 294 NH2 ARG A 14 -6.320 4.549 3.445 1.00 0.00 N ATOM 0 H ARG A 14 -13.894 7.135 2.096 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.483 4.946 1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.613 6.985 2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.357 6.396 3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.948 4.348 3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.229 4.889 2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.443 6.991 3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.056 6.323 4.851 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.278 4.811 4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.492 6.128 1.660 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.876 5.572 1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.198 4.159 4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.577 4.456 2.752 1.00 0.00 H new ATOM 308 N LYS A 15 -14.320 4.289 3.711 1.00 0.00 N ATOM 309 CA LYS A 15 -14.882 3.219 4.507 1.00 0.00 C ATOM 310 C LYS A 15 -15.735 2.323 3.619 1.00 0.00 C ATOM 311 O LYS A 15 -15.588 1.098 3.656 1.00 0.00 O ATOM 312 CB LYS A 15 -15.615 3.835 5.711 1.00 0.00 C ATOM 313 CG LYS A 15 -16.224 2.771 6.631 1.00 0.00 C ATOM 314 CD LYS A 15 -17.664 2.404 6.265 1.00 0.00 C ATOM 315 CE LYS A 15 -18.618 2.979 7.309 1.00 0.00 C ATOM 316 NZ LYS A 15 -18.859 4.432 7.185 1.00 0.00 N ATOM 0 H LYS A 15 -14.664 5.214 3.969 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.114 2.566 4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.918 4.449 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.404 4.497 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.607 1.873 6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.199 3.133 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.910 2.795 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.773 1.321 6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.573 2.458 7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.217 2.773 8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.516 4.740 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.959 4.943 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.272 4.637 6.253 1.00 0.00 H new ATOM 330 N LYS A 16 -16.630 2.901 2.808 1.00 0.00 N ATOM 331 CA LYS A 16 -17.472 2.078 1.945 1.00 0.00 C ATOM 332 C LYS A 16 -16.658 1.335 0.891 1.00 0.00 C ATOM 333 O LYS A 16 -16.897 0.138 0.715 1.00 0.00 O ATOM 334 CB LYS A 16 -18.578 2.907 1.286 1.00 0.00 C ATOM 335 CG LYS A 16 -19.679 3.257 2.299 1.00 0.00 C ATOM 336 CD LYS A 16 -20.846 3.991 1.634 1.00 0.00 C ATOM 337 CE LYS A 16 -21.684 3.053 0.769 1.00 0.00 C ATOM 338 NZ LYS A 16 -22.803 3.752 0.113 1.00 0.00 N ATOM 0 H LYS A 16 -16.785 3.907 2.734 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.941 1.331 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.154 3.822 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.008 2.350 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.044 2.344 2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.261 3.879 3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.477 4.440 2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.461 4.805 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.048 2.596 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.075 2.244 1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -23.344 3.076 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -23.425 4.166 0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -22.431 4.507 -0.497 1.00 0.00 H new ATOM 352 N GLU A 17 -15.734 2.010 0.201 1.00 0.00 N ATOM 353 CA GLU A 17 -14.915 1.401 -0.845 1.00 0.00 C ATOM 354 C GLU A 17 -13.990 0.316 -0.284 1.00 0.00 C ATOM 355 O GLU A 17 -13.860 -0.757 -0.877 1.00 0.00 O ATOM 356 CB GLU A 17 -14.203 2.471 -1.698 1.00 0.00 C ATOM 357 CG GLU A 17 -12.943 3.030 -1.054 1.00 0.00 C ATOM 358 CD GLU A 17 -12.313 4.169 -1.858 1.00 0.00 C ATOM 359 OE1 GLU A 17 -12.860 5.294 -1.890 1.00 0.00 O ATOM 360 OE2 GLU A 17 -11.253 3.950 -2.494 1.00 0.00 O ATOM 0 H GLU A 17 -15.534 2.998 0.355 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.574 0.876 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.945 2.039 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.896 3.290 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.182 3.389 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.214 2.228 -0.939 1.00 0.00 H new ATOM 367 N GLY A 18 -13.405 0.555 0.890 1.00 0.00 N ATOM 368 CA GLY A 18 -12.517 -0.381 1.553 1.00 0.00 C ATOM 369 C GLY A 18 -13.279 -1.635 1.910 1.00 0.00 C ATOM 370 O GLY A 18 -12.875 -2.751 1.580 1.00 0.00 O ATOM 0 H GLY A 18 -13.542 1.422 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.678 -0.626 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.100 0.072 2.453 1.00 0.00 H new ATOM 374 N GLU A 19 -14.462 -1.465 2.493 1.00 0.00 N ATOM 375 CA GLU A 19 -15.288 -2.599 2.840 1.00 0.00 C ATOM 376 C GLU A 19 -15.739 -3.320 1.566 1.00 0.00 C ATOM 377 O GLU A 19 -15.891 -4.546 1.577 1.00 0.00 O ATOM 378 CB GLU A 19 -16.469 -2.102 3.672 1.00 0.00 C ATOM 379 CG GLU A 19 -17.476 -3.223 3.914 1.00 0.00 C ATOM 380 CD GLU A 19 -18.595 -2.731 4.821 1.00 0.00 C ATOM 381 OE1 GLU A 19 -18.437 -2.771 6.061 1.00 0.00 O ATOM 382 OE2 GLU A 19 -19.658 -2.354 4.274 1.00 0.00 O ATOM 0 H GLU A 19 -14.861 -0.557 2.731 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.728 -3.321 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.110 -1.718 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.957 -1.274 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.889 -3.563 2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.977 -4.079 4.369 1.00 0.00 H new ATOM 389 N LYS A 20 -15.948 -2.607 0.457 1.00 0.00 N ATOM 390 CA LYS A 20 -16.386 -3.238 -0.773 1.00 0.00 C ATOM 391 C LYS A 20 -15.276 -4.138 -1.314 1.00 0.00 C ATOM 392 O LYS A 20 -15.548 -5.307 -1.607 1.00 0.00 O ATOM 393 CB LYS A 20 -16.778 -2.147 -1.796 1.00 0.00 C ATOM 394 CG LYS A 20 -17.294 -2.658 -3.156 1.00 0.00 C ATOM 395 CD LYS A 20 -18.717 -3.239 -3.136 1.00 0.00 C ATOM 396 CE LYS A 20 -19.834 -2.200 -3.352 1.00 0.00 C ATOM 397 NZ LYS A 20 -19.994 -1.231 -2.251 1.00 0.00 N ATOM 0 H LYS A 20 -15.819 -1.597 0.393 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.260 -3.861 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.548 -1.517 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.910 -1.513 -1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.264 -1.836 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.610 -3.424 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.795 -4.003 -3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.880 -3.735 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.630 -1.653 -4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.778 -2.726 -3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.913 -0.753 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.950 -1.730 -1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.231 -0.525 -2.296 1.00 0.00 H new ATOM 411 N ILE A 21 -14.023 -3.665 -1.386 1.00 0.00 N ATOM 412 CA ILE A 21 -12.955 -4.506 -1.926 1.00 0.00 C ATOM 413 C ILE A 21 -12.526 -5.579 -0.917 1.00 0.00 C ATOM 414 O ILE A 21 -12.281 -6.714 -1.333 1.00 0.00 O ATOM 415 CB ILE A 21 -11.791 -3.604 -2.418 1.00 0.00 C ATOM 416 CG1 ILE A 21 -10.785 -4.355 -3.314 1.00 0.00 C ATOM 417 CG2 ILE A 21 -11.028 -2.911 -1.279 1.00 0.00 C ATOM 418 CD1 ILE A 21 -11.354 -4.704 -4.694 1.00 0.00 C ATOM 0 H ILE A 21 -13.734 -2.734 -1.086 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.319 -5.062 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.288 -2.837 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.892 -3.743 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.475 -5.272 -2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.229 -2.298 -1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.713 -2.279 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.599 -3.664 -0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.598 -5.231 -5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.230 -5.341 -4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.638 -3.788 -5.212 1.00 0.00 H new ATOM 430 N ARG A 22 -12.625 -5.313 0.393 1.00 0.00 N ATOM 431 CA ARG A 22 -12.260 -6.274 1.435 1.00 0.00 C ATOM 432 C ARG A 22 -13.248 -7.420 1.388 1.00 0.00 C ATOM 433 O ARG A 22 -12.848 -8.577 1.303 1.00 0.00 O ATOM 434 CB ARG A 22 -12.158 -5.575 2.801 1.00 0.00 C ATOM 435 CG ARG A 22 -11.507 -6.431 3.902 1.00 0.00 C ATOM 436 CD ARG A 22 -12.423 -7.532 4.441 1.00 0.00 C ATOM 437 NE ARG A 22 -12.095 -7.895 5.833 1.00 0.00 N ATOM 438 CZ ARG A 22 -12.918 -8.177 6.851 1.00 0.00 C ATOM 439 NH1 ARG A 22 -14.235 -8.183 6.678 1.00 0.00 N ATOM 440 NH2 ARG A 22 -12.422 -8.464 8.046 1.00 0.00 N ATOM 0 H ARG A 22 -12.962 -4.422 0.757 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.269 -6.694 1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.584 -4.656 2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.158 -5.287 3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.598 -6.886 3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.208 -5.783 4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.459 -7.199 4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.340 -8.415 3.807 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.099 -7.937 6.051 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.630 -7.971 5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.851 -8.399 7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.412 -8.470 8.191 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.050 -8.679 8.821 1.00 0.00 H new ATOM 454 N LYS A 23 -14.552 -7.120 1.390 1.00 0.00 N ATOM 455 CA LYS A 23 -15.552 -8.179 1.330 1.00 0.00 C ATOM 456 C LYS A 23 -15.428 -8.945 0.020 1.00 0.00 C ATOM 457 O LYS A 23 -15.677 -10.150 0.007 1.00 0.00 O ATOM 458 CB LYS A 23 -16.964 -7.621 1.520 1.00 0.00 C ATOM 459 CG LYS A 23 -17.898 -8.610 2.237 1.00 0.00 C ATOM 460 CD LYS A 23 -19.288 -8.683 1.599 1.00 0.00 C ATOM 461 CE LYS A 23 -19.193 -9.490 0.300 1.00 0.00 C ATOM 462 NZ LYS A 23 -20.515 -9.755 -0.295 1.00 0.00 N ATOM 0 H LYS A 23 -14.929 -6.173 1.432 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.369 -8.873 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -16.911 -6.696 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.385 -7.369 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.446 -9.602 2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.998 -8.316 3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.994 -9.153 2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.662 -7.680 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.577 -8.948 -0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.691 -10.437 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.398 -10.303 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.096 -10.296 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.985 -8.853 -0.511 1.00 0.00 H new ATOM 476 N LYS A 24 -15.076 -8.277 -1.087 1.00 0.00 N ATOM 477 CA LYS A 24 -14.925 -8.965 -2.368 1.00 0.00 C ATOM 478 C LYS A 24 -13.777 -9.983 -2.287 1.00 0.00 C ATOM 479 O LYS A 24 -13.953 -11.110 -2.750 1.00 0.00 O ATOM 480 CB LYS A 24 -14.687 -7.960 -3.514 1.00 0.00 C ATOM 481 CG LYS A 24 -14.870 -8.578 -4.911 1.00 0.00 C ATOM 482 CD LYS A 24 -16.319 -8.902 -5.329 1.00 0.00 C ATOM 483 CE LYS A 24 -17.259 -7.698 -5.159 1.00 0.00 C ATOM 484 NZ LYS A 24 -18.424 -7.753 -6.066 1.00 0.00 N ATOM 0 H LYS A 24 -14.893 -7.274 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.851 -9.498 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.375 -7.122 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.677 -7.557 -3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.446 -7.894 -5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.286 -9.497 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.331 -9.225 -6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.689 -9.736 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.608 -7.658 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.703 -6.779 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.025 -6.918 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.096 -7.764 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.973 -8.615 -5.874 1.00 0.00 H new ATOM 498 N TYR A 25 -12.644 -9.627 -1.672 1.00 0.00 N ATOM 499 CA TYR A 25 -11.471 -10.487 -1.541 1.00 0.00 C ATOM 500 C TYR A 25 -11.007 -10.578 -0.073 1.00 0.00 C ATOM 501 O TYR A 25 -10.033 -9.913 0.281 1.00 0.00 O ATOM 502 CB TYR A 25 -10.342 -9.958 -2.447 1.00 0.00 C ATOM 503 CG TYR A 25 -10.683 -9.723 -3.909 1.00 0.00 C ATOM 504 CD1 TYR A 25 -10.565 -10.768 -4.844 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.080 -8.440 -4.340 1.00 0.00 C ATOM 506 CE1 TYR A 25 -10.852 -10.535 -6.200 1.00 0.00 C ATOM 507 CE2 TYR A 25 -11.393 -8.210 -5.694 1.00 0.00 C ATOM 508 CZ TYR A 25 -11.280 -9.260 -6.631 1.00 0.00 C ATOM 509 OH TYR A 25 -11.653 -9.067 -7.926 1.00 0.00 O ATOM 0 H TYR A 25 -12.518 -8.710 -1.243 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.737 -11.495 -1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.984 -9.018 -2.028 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.513 -10.664 -2.402 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.254 -11.750 -4.519 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.144 -7.630 -3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.745 -11.336 -6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.719 -7.232 -6.015 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.921 -8.133 -8.054 1.00 0.00 H new ATOM 519 N PRO A 26 -11.622 -11.406 0.793 1.00 0.00 N ATOM 520 CA PRO A 26 -11.232 -11.527 2.201 1.00 0.00 C ATOM 521 C PRO A 26 -9.778 -11.969 2.428 1.00 0.00 C ATOM 522 O PRO A 26 -9.127 -11.448 3.331 1.00 0.00 O ATOM 523 CB PRO A 26 -12.221 -12.523 2.825 1.00 0.00 C ATOM 524 CG PRO A 26 -12.773 -13.297 1.628 1.00 0.00 C ATOM 525 CD PRO A 26 -12.778 -12.241 0.527 1.00 0.00 C ATOM 0 HA PRO A 26 -11.274 -10.544 2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.726 -13.186 3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.014 -12.010 3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.144 -14.149 1.370 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.773 -13.686 1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.713 -12.701 -0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.698 -11.657 0.546 1.00 0.00 H new ATOM 533 N ASP A 27 -9.238 -12.873 1.608 1.00 0.00 N ATOM 534 CA ASP A 27 -7.858 -13.379 1.739 1.00 0.00 C ATOM 535 C ASP A 27 -6.803 -12.342 1.316 1.00 0.00 C ATOM 536 O ASP A 27 -5.608 -12.650 1.262 1.00 0.00 O ATOM 537 CB ASP A 27 -7.641 -14.607 0.828 1.00 0.00 C ATOM 538 CG ASP A 27 -8.487 -15.846 1.101 1.00 0.00 C ATOM 539 OD1 ASP A 27 -9.240 -15.901 2.094 1.00 0.00 O ATOM 540 OD2 ASP A 27 -8.454 -16.757 0.232 1.00 0.00 O ATOM 0 H ASP A 27 -9.747 -13.282 0.824 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.737 -13.624 2.794 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.821 -14.298 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.592 -14.895 0.896 1.00 0.00 H new ATOM 545 N ARG A 28 -7.223 -11.133 0.925 1.00 0.00 N ATOM 546 CA ARG A 28 -6.316 -10.092 0.460 1.00 0.00 C ATOM 547 C ARG A 28 -6.543 -8.788 1.207 1.00 0.00 C ATOM 548 O ARG A 28 -7.643 -8.526 1.694 1.00 0.00 O ATOM 549 CB ARG A 28 -6.505 -9.930 -1.063 1.00 0.00 C ATOM 550 CG ARG A 28 -6.403 -11.264 -1.835 1.00 0.00 C ATOM 551 CD ARG A 28 -6.715 -11.112 -3.325 1.00 0.00 C ATOM 552 NE ARG A 28 -6.790 -12.429 -3.984 1.00 0.00 N ATOM 553 CZ ARG A 28 -7.092 -12.659 -5.267 1.00 0.00 C ATOM 554 NH1 ARG A 28 -7.545 -11.671 -6.034 1.00 0.00 N ATOM 555 NH2 ARG A 28 -6.913 -13.868 -5.781 1.00 0.00 N ATOM 0 H ARG A 28 -8.204 -10.854 0.924 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.284 -10.379 0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.479 -9.480 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.753 -9.239 -1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.398 -11.670 -1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.091 -11.986 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.660 -10.584 -3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.945 -10.506 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.592 -13.245 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.663 -10.736 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.775 -11.849 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.546 -14.621 -5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.143 -14.046 -6.759 1.00 0.00 H new ATOM 569 N VAL A 29 -5.544 -7.911 1.196 1.00 0.00 N ATOM 570 CA VAL A 29 -5.590 -6.616 1.857 1.00 0.00 C ATOM 571 C VAL A 29 -5.176 -5.515 0.870 1.00 0.00 C ATOM 572 O VAL A 29 -4.167 -5.672 0.162 1.00 0.00 O ATOM 573 CB VAL A 29 -4.720 -6.639 3.139 1.00 0.00 C ATOM 574 CG1 VAL A 29 -3.280 -7.144 2.933 1.00 0.00 C ATOM 575 CG2 VAL A 29 -4.667 -5.249 3.795 1.00 0.00 C ATOM 0 H VAL A 29 -4.661 -8.087 0.716 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.608 -6.394 2.176 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.217 -7.358 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.748 -7.124 3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.303 -8.165 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.768 -6.501 2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.050 -5.294 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.238 -4.532 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.676 -4.935 4.063 1.00 0.00 H new ATOM 585 N PRO A 30 -5.948 -4.411 0.779 1.00 0.00 N ATOM 586 CA PRO A 30 -5.616 -3.294 -0.083 1.00 0.00 C ATOM 587 C PRO A 30 -4.538 -2.463 0.623 1.00 0.00 C ATOM 588 O PRO A 30 -4.712 -2.011 1.764 1.00 0.00 O ATOM 589 CB PRO A 30 -6.904 -2.496 -0.269 1.00 0.00 C ATOM 590 CG PRO A 30 -7.675 -2.765 1.016 1.00 0.00 C ATOM 591 CD PRO A 30 -7.167 -4.114 1.521 1.00 0.00 C ATOM 0 HA PRO A 30 -5.231 -3.600 -1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.702 -1.433 -0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.459 -2.827 -1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.500 -1.979 1.751 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.749 -2.794 0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.968 -4.075 2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.914 -4.892 1.364 1.00 0.00 H new ATOM 599 N VAL A 31 -3.443 -2.216 -0.091 1.00 0.00 N ATOM 600 CA VAL A 31 -2.318 -1.465 0.421 1.00 0.00 C ATOM 601 C VAL A 31 -2.179 -0.169 -0.369 1.00 0.00 C ATOM 602 O VAL A 31 -2.121 -0.169 -1.604 1.00 0.00 O ATOM 603 CB VAL A 31 -1.045 -2.336 0.368 1.00 0.00 C ATOM 604 CG1 VAL A 31 0.179 -1.586 0.915 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.204 -3.625 1.189 1.00 0.00 C ATOM 0 H VAL A 31 -3.318 -2.538 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.477 -1.196 1.465 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.895 -2.579 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.055 -2.232 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.352 -0.689 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.001 -1.304 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.287 -4.211 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.403 -3.371 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.035 -4.208 0.793 1.00 0.00 H new ATOM 615 N ILE A 32 -2.076 0.931 0.364 1.00 0.00 N ATOM 616 CA ILE A 32 -1.905 2.285 -0.137 1.00 0.00 C ATOM 617 C ILE A 32 -0.418 2.561 0.058 1.00 0.00 C ATOM 618 O ILE A 32 0.067 2.625 1.190 1.00 0.00 O ATOM 619 CB ILE A 32 -2.828 3.279 0.607 1.00 0.00 C ATOM 620 CG1 ILE A 32 -4.326 2.913 0.480 1.00 0.00 C ATOM 621 CG2 ILE A 32 -2.585 4.720 0.119 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.866 2.827 -0.955 1.00 0.00 C ATOM 0 H ILE A 32 -2.112 0.899 1.383 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.191 2.403 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.571 3.211 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.490 1.953 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.911 3.654 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.245 5.402 0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.547 4.997 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.791 4.782 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.924 2.565 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.742 3.791 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.316 2.064 -1.506 1.00 0.00 H new ATOM 634 N VAL A 33 0.328 2.638 -1.040 1.00 0.00 N ATOM 635 CA VAL A 33 1.759 2.884 -1.002 1.00 0.00 C ATOM 636 C VAL A 33 2.004 4.386 -1.128 1.00 0.00 C ATOM 637 O VAL A 33 1.478 5.029 -2.042 1.00 0.00 O ATOM 638 CB VAL A 33 2.452 2.100 -2.131 1.00 0.00 C ATOM 639 CG1 VAL A 33 3.973 2.225 -2.003 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.091 0.601 -2.129 1.00 0.00 C ATOM 0 H VAL A 33 -0.048 2.531 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 33 2.180 2.542 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 33 2.099 2.536 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.453 1.667 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.259 3.275 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.291 1.823 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.609 0.101 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.393 0.155 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.015 0.486 -2.257 1.00 0.00 H new ATOM 650 N GLU A 34 2.807 4.951 -0.230 1.00 0.00 N ATOM 651 CA GLU A 34 3.171 6.357 -0.217 1.00 0.00 C ATOM 652 C GLU A 34 4.695 6.456 -0.128 1.00 0.00 C ATOM 653 O GLU A 34 5.366 5.615 0.484 1.00 0.00 O ATOM 654 CB GLU A 34 2.421 7.077 0.912 1.00 0.00 C ATOM 655 CG GLU A 34 2.459 8.609 0.773 1.00 0.00 C ATOM 656 CD GLU A 34 1.231 9.262 1.417 1.00 0.00 C ATOM 657 OE1 GLU A 34 0.117 9.106 0.857 1.00 0.00 O ATOM 658 OE2 GLU A 34 1.367 9.913 2.480 1.00 0.00 O ATOM 0 H GLU A 34 3.233 4.422 0.531 1.00 0.00 H new ATOM 0 HA GLU A 34 2.871 6.864 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.383 6.744 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.857 6.793 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.365 8.995 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.505 8.879 -0.282 1.00 0.00 H new ATOM 665 N LYS A 35 5.242 7.472 -0.793 1.00 0.00 N ATOM 666 CA LYS A 35 6.670 7.724 -0.832 1.00 0.00 C ATOM 667 C LYS A 35 6.940 8.910 0.081 1.00 0.00 C ATOM 668 O LYS A 35 6.256 9.937 0.002 1.00 0.00 O ATOM 669 CB LYS A 35 7.124 7.855 -2.294 1.00 0.00 C ATOM 670 CG LYS A 35 6.825 9.178 -3.015 1.00 0.00 C ATOM 671 CD LYS A 35 8.056 10.092 -3.035 1.00 0.00 C ATOM 672 CE LYS A 35 9.155 9.591 -3.981 1.00 0.00 C ATOM 673 NZ LYS A 35 8.749 9.632 -5.399 1.00 0.00 N ATOM 0 H LYS A 35 4.694 8.148 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 35 7.277 6.904 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.201 7.690 -2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.660 7.050 -2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.505 8.974 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.999 9.687 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.753 11.095 -3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.460 10.171 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.050 10.199 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.421 8.568 -3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.576 9.447 -6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.024 8.907 -5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.361 10.571 -5.622 1.00 0.00 H new ATOM 687 N ALA A 36 7.980 8.808 0.892 1.00 0.00 N ATOM 688 CA ALA A 36 8.346 9.833 1.848 1.00 0.00 C ATOM 689 C ALA A 36 9.329 10.840 1.251 1.00 0.00 C ATOM 690 O ALA A 36 9.968 10.572 0.221 1.00 0.00 O ATOM 691 CB ALA A 36 9.002 9.099 3.025 1.00 0.00 C ATOM 0 H ALA A 36 8.601 7.999 0.903 1.00 0.00 H new ATOM 0 HA ALA A 36 7.466 10.400 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.302 9.822 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.291 8.394 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.880 8.558 2.673 1.00 0.00 H new ATOM 697 N PRO A 37 9.443 12.032 1.860 1.00 0.00 N ATOM 698 CA PRO A 37 10.390 13.024 1.391 1.00 0.00 C ATOM 699 C PRO A 37 11.794 12.459 1.676 1.00 0.00 C ATOM 700 O PRO A 37 11.961 11.647 2.585 1.00 0.00 O ATOM 701 CB PRO A 37 10.062 14.312 2.144 1.00 0.00 C ATOM 702 CG PRO A 37 9.274 13.870 3.378 1.00 0.00 C ATOM 703 CD PRO A 37 8.742 12.481 3.055 1.00 0.00 C ATOM 0 HA PRO A 37 10.344 13.246 0.325 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.970 14.844 2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.475 14.991 1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.911 13.849 4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.459 14.562 3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.916 11.797 3.886 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.666 12.509 2.885 1.00 0.00 H new ATOM 711 N LYS A 38 12.804 12.915 0.928 1.00 0.00 N ATOM 712 CA LYS A 38 14.224 12.525 0.976 1.00 0.00 C ATOM 713 C LYS A 38 14.485 11.204 0.227 1.00 0.00 C ATOM 714 O LYS A 38 15.646 10.835 0.063 1.00 0.00 O ATOM 715 CB LYS A 38 14.844 12.513 2.396 1.00 0.00 C ATOM 716 CG LYS A 38 15.167 13.881 3.018 1.00 0.00 C ATOM 717 CD LYS A 38 14.002 14.835 3.299 1.00 0.00 C ATOM 718 CE LYS A 38 13.820 15.841 2.156 1.00 0.00 C ATOM 719 NZ LYS A 38 12.929 16.954 2.541 1.00 0.00 N ATOM 0 H LYS A 38 12.640 13.625 0.214 1.00 0.00 H new ATOM 0 HA LYS A 38 14.747 13.322 0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.159 11.989 3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.764 11.929 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.689 13.706 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.866 14.393 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.084 14.263 3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.183 15.369 4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.792 16.238 1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.409 15.331 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.600 17.447 1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.110 16.579 3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.448 17.621 3.147 1.00 0.00 H new ATOM 733 N ALA A 39 13.463 10.507 -0.293 1.00 0.00 N ATOM 734 CA ALA A 39 13.667 9.259 -1.024 1.00 0.00 C ATOM 735 C ALA A 39 14.469 9.507 -2.315 1.00 0.00 C ATOM 736 O ALA A 39 14.001 10.216 -3.217 1.00 0.00 O ATOM 737 CB ALA A 39 12.312 8.607 -1.332 1.00 0.00 C ATOM 0 H ALA A 39 12.487 10.792 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 39 14.246 8.577 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.471 7.677 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.789 8.396 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.712 9.285 -1.939 1.00 0.00 H new ATOM 743 N ARG A 40 15.632 8.848 -2.446 1.00 0.00 N ATOM 744 CA ARG A 40 16.543 8.939 -3.598 1.00 0.00 C ATOM 745 C ARG A 40 16.175 7.983 -4.732 1.00 0.00 C ATOM 746 O ARG A 40 16.650 8.157 -5.848 1.00 0.00 O ATOM 747 CB ARG A 40 17.977 8.609 -3.111 1.00 0.00 C ATOM 748 CG ARG A 40 19.135 9.062 -4.027 1.00 0.00 C ATOM 749 CD ARG A 40 19.671 8.017 -5.023 1.00 0.00 C ATOM 750 NE ARG A 40 20.876 8.484 -5.741 1.00 0.00 N ATOM 751 CZ ARG A 40 20.948 9.473 -6.639 1.00 0.00 C ATOM 752 NH1 ARG A 40 19.849 10.110 -7.036 1.00 0.00 N ATOM 753 NH2 ARG A 40 22.135 9.834 -7.112 1.00 0.00 N ATOM 0 H ARG A 40 15.976 8.214 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 40 16.470 9.951 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.118 9.065 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.052 7.530 -2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 40 18.803 9.933 -4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 40 19.962 9.388 -3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 40 19.905 7.097 -4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 40 18.892 7.776 -5.746 1.00 0.00 H new ATOM 0 HE ARG A 40 21.748 7.999 -5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.941 9.846 -6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.915 10.863 -7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 40 22.978 9.359 -6.790 1.00 0.00 H new ATOM 0 HH22 ARG A 40 22.204 10.587 -7.797 1.00 0.00 H new ATOM 767 N VAL A 41 15.286 7.029 -4.489 1.00 0.00 N ATOM 768 CA VAL A 41 14.898 6.023 -5.464 1.00 0.00 C ATOM 769 C VAL A 41 13.803 6.581 -6.392 1.00 0.00 C ATOM 770 O VAL A 41 13.098 7.523 -6.003 1.00 0.00 O ATOM 771 CB VAL A 41 14.467 4.753 -4.689 1.00 0.00 C ATOM 772 CG1 VAL A 41 15.612 4.231 -3.802 1.00 0.00 C ATOM 773 CG2 VAL A 41 13.227 4.955 -3.802 1.00 0.00 C ATOM 0 H VAL A 41 14.807 6.932 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 41 15.728 5.754 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 41 14.212 4.028 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.282 3.339 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.472 3.984 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 41 15.894 5.000 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.988 4.021 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.431 5.730 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.382 5.257 -4.421 1.00 0.00 H new ATOM 783 N PRO A 42 13.644 6.039 -7.616 1.00 0.00 N ATOM 784 CA PRO A 42 12.653 6.518 -8.571 1.00 0.00 C ATOM 785 C PRO A 42 11.212 6.252 -8.140 1.00 0.00 C ATOM 786 O PRO A 42 10.933 5.376 -7.318 1.00 0.00 O ATOM 787 CB PRO A 42 12.989 5.828 -9.898 1.00 0.00 C ATOM 788 CG PRO A 42 13.648 4.526 -9.457 1.00 0.00 C ATOM 789 CD PRO A 42 14.404 4.937 -8.196 1.00 0.00 C ATOM 0 HA PRO A 42 12.703 7.604 -8.653 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.095 5.645 -10.494 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.660 6.433 -10.508 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.911 3.750 -9.251 1.00 0.00 H new ATOM 0 HG3 PRO A 42 14.319 4.134 -10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 42 14.480 4.104 -7.497 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.422 5.247 -8.434 1.00 0.00 H new ATOM 797 N ASP A 43 10.296 7.048 -8.688 1.00 0.00 N ATOM 798 CA ASP A 43 8.862 6.970 -8.435 1.00 0.00 C ATOM 799 C ASP A 43 8.213 5.968 -9.392 1.00 0.00 C ATOM 800 O ASP A 43 8.797 5.652 -10.436 1.00 0.00 O ATOM 801 CB ASP A 43 8.225 8.351 -8.622 1.00 0.00 C ATOM 802 CG ASP A 43 6.867 8.426 -7.937 1.00 0.00 C ATOM 803 OD1 ASP A 43 6.795 8.154 -6.719 1.00 0.00 O ATOM 804 OD2 ASP A 43 5.869 8.807 -8.583 1.00 0.00 O ATOM 0 H ASP A 43 10.542 7.790 -9.343 1.00 0.00 H new ATOM 0 HA ASP A 43 8.702 6.636 -7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.884 9.117 -8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.111 8.561 -9.685 1.00 0.00 H new ATOM 809 N LEU A 44 7.007 5.492 -9.064 1.00 0.00 N ATOM 810 CA LEU A 44 6.247 4.527 -9.856 1.00 0.00 C ATOM 811 C LEU A 44 4.812 5.028 -10.024 1.00 0.00 C ATOM 812 O LEU A 44 4.266 5.649 -9.114 1.00 0.00 O ATOM 813 CB LEU A 44 6.265 3.160 -9.161 1.00 0.00 C ATOM 814 CG LEU A 44 7.623 2.433 -9.104 1.00 0.00 C ATOM 815 CD1 LEU A 44 7.478 1.137 -8.298 1.00 0.00 C ATOM 816 CD2 LEU A 44 8.149 2.082 -10.500 1.00 0.00 C ATOM 0 H LEU A 44 6.521 5.778 -8.214 1.00 0.00 H new ATOM 0 HA LEU A 44 6.700 4.420 -10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.906 3.292 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.552 2.510 -9.668 1.00 0.00 H new ATOM 0 HG LEU A 44 8.333 3.110 -8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.439 0.624 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.151 1.373 -7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.741 0.492 -8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.108 1.571 -10.410 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.436 1.429 -11.004 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.278 2.995 -11.081 1.00 0.00 H new ATOM 828 N ASP A 45 4.154 4.692 -11.134 1.00 0.00 N ATOM 829 CA ASP A 45 2.786 5.132 -11.471 1.00 0.00 C ATOM 830 C ASP A 45 1.634 4.420 -10.744 1.00 0.00 C ATOM 831 O ASP A 45 0.485 4.862 -10.855 1.00 0.00 O ATOM 832 CB ASP A 45 2.549 4.972 -12.986 1.00 0.00 C ATOM 833 CG ASP A 45 3.553 5.731 -13.848 1.00 0.00 C ATOM 834 OD1 ASP A 45 3.655 6.971 -13.736 1.00 0.00 O ATOM 835 OD2 ASP A 45 4.295 5.070 -14.615 1.00 0.00 O ATOM 0 H ASP A 45 4.563 4.090 -11.848 1.00 0.00 H new ATOM 0 HA ASP A 45 2.758 6.168 -11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.592 3.913 -13.241 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.543 5.318 -13.226 1.00 0.00 H new ATOM 840 N LYS A 46 1.876 3.320 -10.023 1.00 0.00 N ATOM 841 CA LYS A 46 0.825 2.571 -9.318 1.00 0.00 C ATOM 842 C LYS A 46 0.922 2.869 -7.831 1.00 0.00 C ATOM 843 O LYS A 46 1.976 2.651 -7.235 1.00 0.00 O ATOM 844 CB LYS A 46 0.916 1.079 -9.658 1.00 0.00 C ATOM 845 CG LYS A 46 0.562 0.848 -11.140 1.00 0.00 C ATOM 846 CD LYS A 46 0.835 -0.589 -11.585 1.00 0.00 C ATOM 847 CE LYS A 46 0.480 -0.729 -13.069 1.00 0.00 C ATOM 848 NZ LYS A 46 0.608 -2.121 -13.539 1.00 0.00 N ATOM 0 H LYS A 46 2.808 2.921 -9.910 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.165 2.888 -9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.923 0.713 -9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.237 0.512 -9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.490 1.082 -11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.139 1.534 -11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.883 -0.840 -11.424 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.245 -1.286 -10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.541 -0.384 -13.232 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.132 -0.085 -13.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.359 -2.171 -14.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.588 -2.443 -13.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.033 -2.732 -12.993 1.00 0.00 H new ATOM 862 N ARG A 47 -0.164 3.386 -7.250 1.00 0.00 N ATOM 863 CA ARG A 47 -0.251 3.774 -5.844 1.00 0.00 C ATOM 864 C ARG A 47 -1.097 2.844 -4.973 1.00 0.00 C ATOM 865 O ARG A 47 -0.910 2.847 -3.755 1.00 0.00 O ATOM 866 CB ARG A 47 -0.839 5.200 -5.769 1.00 0.00 C ATOM 867 CG ARG A 47 0.132 6.350 -6.097 1.00 0.00 C ATOM 868 CD ARG A 47 0.529 6.552 -7.568 1.00 0.00 C ATOM 869 NE ARG A 47 -0.573 7.059 -8.414 1.00 0.00 N ATOM 870 CZ ARG A 47 -0.437 7.916 -9.441 1.00 0.00 C ATOM 871 NH1 ARG A 47 0.749 8.341 -9.863 1.00 0.00 N ATOM 872 NH2 ARG A 47 -1.499 8.394 -10.077 1.00 0.00 N ATOM 0 H ARG A 47 -1.031 3.550 -7.762 1.00 0.00 H new ATOM 0 HA ARG A 47 0.762 3.716 -5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.685 5.259 -6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.231 5.357 -4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.314 7.278 -5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.044 6.193 -5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.365 7.250 -7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.881 5.604 -7.974 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.515 6.731 -8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.600 8.017 -9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.808 8.992 -10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.436 8.112 -9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.378 9.043 -10.854 1.00 0.00 H new ATOM 886 N LYS A 48 -2.034 2.070 -5.535 1.00 0.00 N ATOM 887 CA LYS A 48 -2.893 1.175 -4.752 1.00 0.00 C ATOM 888 C LYS A 48 -2.684 -0.249 -5.222 1.00 0.00 C ATOM 889 O LYS A 48 -2.853 -0.513 -6.412 1.00 0.00 O ATOM 890 CB LYS A 48 -4.385 1.543 -4.869 1.00 0.00 C ATOM 891 CG LYS A 48 -4.726 3.019 -4.601 1.00 0.00 C ATOM 892 CD LYS A 48 -4.759 3.833 -5.901 1.00 0.00 C ATOM 893 CE LYS A 48 -5.236 5.256 -5.625 1.00 0.00 C ATOM 894 NZ LYS A 48 -5.568 5.953 -6.881 1.00 0.00 N ATOM 0 H LYS A 48 -2.217 2.047 -6.538 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.614 1.279 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.727 1.285 -5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.950 0.925 -4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.694 3.086 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.989 3.446 -3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.765 3.856 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.422 3.354 -6.621 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.111 5.231 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.461 5.807 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.890 6.919 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.725 5.995 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.324 5.437 -7.375 1.00 0.00 H new ATOM 908 N TYR A 49 -2.339 -1.146 -4.304 1.00 0.00 N ATOM 909 CA TYR A 49 -2.104 -2.552 -4.588 1.00 0.00 C ATOM 910 C TYR A 49 -2.983 -3.435 -3.702 1.00 0.00 C ATOM 911 O TYR A 49 -3.619 -2.951 -2.768 1.00 0.00 O ATOM 912 CB TYR A 49 -0.619 -2.886 -4.411 1.00 0.00 C ATOM 913 CG TYR A 49 0.230 -2.598 -5.635 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.271 -3.531 -6.689 1.00 0.00 C ATOM 915 CD2 TYR A 49 1.000 -1.423 -5.714 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.104 -3.321 -7.802 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.827 -1.198 -6.828 1.00 0.00 C ATOM 918 CZ TYR A 49 1.892 -2.150 -7.872 1.00 0.00 C ATOM 919 OH TYR A 49 2.710 -1.938 -8.941 1.00 0.00 O ATOM 0 H TYR A 49 -2.213 -0.907 -3.320 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.375 -2.752 -5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.227 -2.317 -3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.523 -3.941 -4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.344 -4.417 -6.642 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.956 -0.694 -4.919 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.141 -4.050 -8.598 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.415 -0.294 -6.887 1.00 0.00 H new ATOM 0 HH TYR A 49 3.179 -1.085 -8.830 1.00 0.00 H new ATOM 929 N LEU A 50 -3.081 -4.731 -4.005 1.00 0.00 N ATOM 930 CA LEU A 50 -3.845 -5.733 -3.259 1.00 0.00 C ATOM 931 C LEU A 50 -2.909 -6.929 -3.166 1.00 0.00 C ATOM 932 O LEU A 50 -2.456 -7.400 -4.214 1.00 0.00 O ATOM 933 CB LEU A 50 -5.170 -6.139 -3.943 1.00 0.00 C ATOM 934 CG LEU A 50 -6.378 -6.197 -2.991 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.103 -4.851 -2.992 1.00 0.00 C ATOM 936 CD2 LEU A 50 -7.384 -7.275 -3.411 1.00 0.00 C ATOM 0 H LEU A 50 -2.607 -5.129 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.149 -5.337 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.385 -5.430 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.041 -7.116 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.994 -6.436 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.957 -4.897 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.420 -4.069 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.450 -4.625 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.221 -7.283 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.750 -7.060 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.897 -8.250 -3.404 1.00 0.00 H new ATOM 948 N VAL A 51 -2.608 -7.396 -1.958 1.00 0.00 N ATOM 949 CA VAL A 51 -1.706 -8.530 -1.718 1.00 0.00 C ATOM 950 C VAL A 51 -2.392 -9.565 -0.824 1.00 0.00 C ATOM 951 O VAL A 51 -3.351 -9.193 -0.142 1.00 0.00 O ATOM 952 CB VAL A 51 -0.389 -8.024 -1.087 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.443 -7.251 -2.114 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.598 -7.130 0.141 1.00 0.00 C ATOM 0 H VAL A 51 -2.988 -6.994 -1.101 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.466 -9.013 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 51 0.136 -8.921 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.365 -6.904 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.683 -7.904 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.127 -6.394 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.370 -6.813 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.180 -6.253 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.133 -7.687 0.910 1.00 0.00 H new ATOM 964 N PRO A 52 -1.964 -10.841 -0.840 1.00 0.00 N ATOM 965 CA PRO A 52 -2.561 -11.868 -0.001 1.00 0.00 C ATOM 966 C PRO A 52 -2.027 -11.692 1.421 1.00 0.00 C ATOM 967 O PRO A 52 -0.920 -11.174 1.612 1.00 0.00 O ATOM 968 CB PRO A 52 -2.078 -13.199 -0.587 1.00 0.00 C ATOM 969 CG PRO A 52 -0.675 -12.835 -1.063 1.00 0.00 C ATOM 970 CD PRO A 52 -0.848 -11.409 -1.592 1.00 0.00 C ATOM 0 HA PRO A 52 -3.650 -11.820 0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.064 -13.994 0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.712 -13.541 -1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.050 -12.879 -0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.324 -13.514 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.060 -10.824 -1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.057 -11.411 -2.662 1.00 0.00 H new ATOM 978 N SER A 53 -2.771 -12.151 2.420 1.00 0.00 N ATOM 979 CA SER A 53 -2.332 -12.048 3.810 1.00 0.00 C ATOM 980 C SER A 53 -1.052 -12.873 4.063 1.00 0.00 C ATOM 981 O SER A 53 -0.174 -12.473 4.825 1.00 0.00 O ATOM 982 CB SER A 53 -3.479 -12.531 4.708 1.00 0.00 C ATOM 983 OG SER A 53 -4.115 -13.668 4.155 1.00 0.00 O ATOM 0 H SER A 53 -3.680 -12.598 2.296 1.00 0.00 H new ATOM 0 HA SER A 53 -2.085 -11.011 4.038 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.093 -12.772 5.698 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.207 -11.730 4.836 1.00 0.00 H new ATOM 0 HG SER A 53 -4.841 -13.957 4.747 1.00 0.00 H new ATOM 989 N ASP A 54 -0.893 -13.981 3.349 1.00 0.00 N ATOM 990 CA ASP A 54 0.201 -14.947 3.425 1.00 0.00 C ATOM 991 C ASP A 54 1.574 -14.436 2.968 1.00 0.00 C ATOM 992 O ASP A 54 2.584 -15.112 3.199 1.00 0.00 O ATOM 993 CB ASP A 54 -0.137 -16.181 2.565 1.00 0.00 C ATOM 994 CG ASP A 54 -1.596 -16.631 2.623 1.00 0.00 C ATOM 995 OD1 ASP A 54 -2.406 -16.092 1.838 1.00 0.00 O ATOM 996 OD2 ASP A 54 -1.919 -17.582 3.367 1.00 0.00 O ATOM 0 H ASP A 54 -1.580 -14.250 2.645 1.00 0.00 H new ATOM 0 HA ASP A 54 0.287 -15.174 4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.119 -15.963 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.496 -17.010 2.882 1.00 0.00 H new ATOM 1001 N LEU A 55 1.649 -13.295 2.279 1.00 0.00 N ATOM 1002 CA LEU A 55 2.909 -12.743 1.779 1.00 0.00 C ATOM 1003 C LEU A 55 3.747 -12.114 2.891 1.00 0.00 C ATOM 1004 O LEU A 55 3.201 -11.417 3.740 1.00 0.00 O ATOM 1005 CB LEU A 55 2.579 -11.707 0.694 1.00 0.00 C ATOM 1006 CG LEU A 55 3.792 -11.026 0.037 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.625 -12.037 -0.758 1.00 0.00 C ATOM 1008 CD2 LEU A 55 3.294 -9.919 -0.894 1.00 0.00 C ATOM 0 H LEU A 55 0.834 -12.726 2.052 1.00 0.00 H new ATOM 0 HA LEU A 55 3.511 -13.552 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.993 -12.196 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.945 -10.936 1.133 1.00 0.00 H new ATOM 0 HG LEU A 55 4.427 -10.604 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.476 -11.530 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.983 -12.819 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.009 -12.482 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.146 -9.429 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.653 -10.351 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.728 -9.187 -0.318 1.00 0.00 H new ATOM 1020 N THR A 56 5.063 -12.345 2.912 1.00 0.00 N ATOM 1021 CA THR A 56 5.947 -11.748 3.916 1.00 0.00 C ATOM 1022 C THR A 56 6.370 -10.365 3.396 1.00 0.00 C ATOM 1023 O THR A 56 6.531 -10.192 2.181 1.00 0.00 O ATOM 1024 CB THR A 56 7.114 -12.688 4.275 1.00 0.00 C ATOM 1025 OG1 THR A 56 8.014 -12.065 5.171 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.936 -13.144 3.069 1.00 0.00 C ATOM 0 H THR A 56 5.541 -12.945 2.240 1.00 0.00 H new ATOM 0 HA THR A 56 5.431 -11.607 4.866 1.00 0.00 H new ATOM 0 HB THR A 56 6.633 -13.557 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.509 -11.588 5.863 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.738 -13.802 3.403 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.292 -13.681 2.372 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.364 -12.274 2.571 1.00 0.00 H new ATOM 1034 N VAL A 57 6.581 -9.378 4.278 1.00 0.00 N ATOM 1035 CA VAL A 57 6.966 -8.043 3.829 1.00 0.00 C ATOM 1036 C VAL A 57 8.294 -8.072 3.088 1.00 0.00 C ATOM 1037 O VAL A 57 8.436 -7.385 2.077 1.00 0.00 O ATOM 1038 CB VAL A 57 6.983 -7.022 4.974 1.00 0.00 C ATOM 1039 CG1 VAL A 57 5.570 -6.836 5.533 1.00 0.00 C ATOM 1040 CG2 VAL A 57 7.971 -7.348 6.097 1.00 0.00 C ATOM 0 H VAL A 57 6.492 -9.480 5.289 1.00 0.00 H new ATOM 0 HA VAL A 57 6.199 -7.712 3.129 1.00 0.00 H new ATOM 0 HB VAL A 57 7.339 -6.088 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.593 -6.109 6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.911 -6.477 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.199 -7.789 5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.918 -6.575 6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.718 -8.313 6.536 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.982 -7.388 5.692 1.00 0.00 H new ATOM 1050 N GLY A 58 9.228 -8.930 3.511 1.00 0.00 N ATOM 1051 CA GLY A 58 10.523 -9.041 2.871 1.00 0.00 C ATOM 1052 C GLY A 58 10.387 -9.338 1.382 1.00 0.00 C ATOM 1053 O GLY A 58 11.214 -8.867 0.603 1.00 0.00 O ATOM 0 H GLY A 58 9.099 -9.560 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.079 -8.113 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.100 -9.832 3.350 1.00 0.00 H new ATOM 1057 N GLN A 59 9.412 -10.165 0.993 1.00 0.00 N ATOM 1058 CA GLN A 59 9.156 -10.510 -0.395 1.00 0.00 C ATOM 1059 C GLN A 59 8.566 -9.318 -1.145 1.00 0.00 C ATOM 1060 O GLN A 59 8.972 -9.058 -2.278 1.00 0.00 O ATOM 1061 CB GLN A 59 8.242 -11.739 -0.488 1.00 0.00 C ATOM 1062 CG GLN A 59 8.994 -13.054 -0.229 1.00 0.00 C ATOM 1063 CD GLN A 59 10.066 -13.322 -1.280 1.00 0.00 C ATOM 1064 OE1 GLN A 59 11.247 -13.051 -1.063 1.00 0.00 O ATOM 1065 NE2 GLN A 59 9.676 -13.820 -2.440 1.00 0.00 N ATOM 0 H GLN A 59 8.773 -10.616 1.648 1.00 0.00 H new ATOM 0 HA GLN A 59 10.104 -10.765 -0.869 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.431 -11.640 0.234 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.786 -11.774 -1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.456 -13.018 0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.284 -13.881 -0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.692 -14.037 -2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.359 -13.988 -3.179 1.00 0.00 H new ATOM 1074 N PHE A 60 7.600 -8.610 -0.549 1.00 0.00 N ATOM 1075 CA PHE A 60 6.986 -7.451 -1.187 1.00 0.00 C ATOM 1076 C PHE A 60 8.049 -6.374 -1.425 1.00 0.00 C ATOM 1077 O PHE A 60 8.182 -5.883 -2.550 1.00 0.00 O ATOM 1078 CB PHE A 60 5.832 -6.925 -0.313 1.00 0.00 C ATOM 1079 CG PHE A 60 5.371 -5.514 -0.639 1.00 0.00 C ATOM 1080 CD1 PHE A 60 5.033 -5.150 -1.956 1.00 0.00 C ATOM 1081 CD2 PHE A 60 5.299 -4.549 0.383 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.664 -3.826 -2.250 1.00 0.00 C ATOM 1083 CE2 PHE A 60 4.945 -3.221 0.084 1.00 0.00 C ATOM 1084 CZ PHE A 60 4.632 -2.855 -1.235 1.00 0.00 C ATOM 0 H PHE A 60 7.229 -8.824 0.377 1.00 0.00 H new ATOM 0 HA PHE A 60 6.570 -7.735 -2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.983 -7.601 -0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.143 -6.957 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.057 -5.890 -2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.517 -4.830 1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.404 -3.553 -3.262 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.914 -2.481 0.870 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.368 -1.834 -1.468 1.00 0.00 H new ATOM 1094 N TYR A 61 8.870 -6.077 -0.414 1.00 0.00 N ATOM 1095 CA TYR A 61 9.920 -5.072 -0.508 1.00 0.00 C ATOM 1096 C TYR A 61 10.932 -5.495 -1.575 1.00 0.00 C ATOM 1097 O TYR A 61 11.268 -4.697 -2.444 1.00 0.00 O ATOM 1098 CB TYR A 61 10.583 -4.855 0.862 1.00 0.00 C ATOM 1099 CG TYR A 61 9.707 -4.377 2.019 1.00 0.00 C ATOM 1100 CD1 TYR A 61 8.375 -3.942 1.841 1.00 0.00 C ATOM 1101 CD2 TYR A 61 10.264 -4.355 3.312 1.00 0.00 C ATOM 1102 CE1 TYR A 61 7.594 -3.561 2.948 1.00 0.00 C ATOM 1103 CE2 TYR A 61 9.488 -3.979 4.425 1.00 0.00 C ATOM 1104 CZ TYR A 61 8.140 -3.595 4.249 1.00 0.00 C ATOM 1105 OH TYR A 61 7.373 -3.274 5.328 1.00 0.00 O ATOM 0 H TYR A 61 8.820 -6.533 0.497 1.00 0.00 H new ATOM 0 HA TYR A 61 9.490 -4.116 -0.807 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.046 -5.796 1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.387 -4.131 0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.953 -3.901 0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.299 -4.630 3.452 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.573 -3.241 2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.923 -3.984 5.413 1.00 0.00 H new ATOM 0 HH TYR A 61 7.909 -3.352 6.145 1.00 0.00 H new ATOM 1115 N PHE A 62 11.368 -6.760 -1.574 1.00 0.00 N ATOM 1116 CA PHE A 62 12.319 -7.298 -2.546 1.00 0.00 C ATOM 1117 C PHE A 62 11.778 -7.178 -3.977 1.00 0.00 C ATOM 1118 O PHE A 62 12.533 -6.863 -4.903 1.00 0.00 O ATOM 1119 CB PHE A 62 12.612 -8.759 -2.180 1.00 0.00 C ATOM 1120 CG PHE A 62 13.526 -9.521 -3.120 1.00 0.00 C ATOM 1121 CD1 PHE A 62 14.917 -9.301 -3.097 1.00 0.00 C ATOM 1122 CD2 PHE A 62 12.990 -10.515 -3.962 1.00 0.00 C ATOM 1123 CE1 PHE A 62 15.771 -10.091 -3.889 1.00 0.00 C ATOM 1124 CE2 PHE A 62 13.845 -11.300 -4.753 1.00 0.00 C ATOM 1125 CZ PHE A 62 15.236 -11.100 -4.711 1.00 0.00 C ATOM 0 H PHE A 62 11.063 -7.448 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 62 13.244 -6.722 -2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.054 -8.779 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.663 -9.292 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.329 -8.524 -2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.922 -10.673 -3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.838 -9.923 -3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.431 -12.062 -5.397 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.891 -11.718 -5.307 1.00 0.00 H new ATOM 1135 N LEU A 63 10.474 -7.409 -4.177 1.00 0.00 N ATOM 1136 CA LEU A 63 9.844 -7.320 -5.490 1.00 0.00 C ATOM 1137 C LEU A 63 9.830 -5.869 -5.974 1.00 0.00 C ATOM 1138 O LEU A 63 10.147 -5.604 -7.136 1.00 0.00 O ATOM 1139 CB LEU A 63 8.433 -7.929 -5.451 1.00 0.00 C ATOM 1140 CG LEU A 63 7.825 -8.137 -6.852 1.00 0.00 C ATOM 1141 CD1 LEU A 63 8.618 -9.168 -7.670 1.00 0.00 C ATOM 1142 CD2 LEU A 63 6.378 -8.623 -6.717 1.00 0.00 C ATOM 0 H LEU A 63 9.830 -7.663 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 63 10.427 -7.898 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.471 -8.887 -4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.779 -7.278 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 63 7.863 -7.180 -7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.158 -9.286 -8.651 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.645 -8.824 -7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.614 -10.126 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.949 -8.770 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.360 -9.566 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.793 -7.879 -6.175 1.00 0.00 H new ATOM 1154 N ILE A 64 9.468 -4.913 -5.113 1.00 0.00 N ATOM 1155 CA ILE A 64 9.469 -3.512 -5.526 1.00 0.00 C ATOM 1156 C ILE A 64 10.924 -3.088 -5.745 1.00 0.00 C ATOM 1157 O ILE A 64 11.199 -2.401 -6.725 1.00 0.00 O ATOM 1158 CB ILE A 64 8.688 -2.606 -4.557 1.00 0.00 C ATOM 1159 CG1 ILE A 64 7.207 -3.038 -4.434 1.00 0.00 C ATOM 1160 CG2 ILE A 64 8.785 -1.145 -5.032 1.00 0.00 C ATOM 1161 CD1 ILE A 64 6.374 -2.992 -5.725 1.00 0.00 C ATOM 0 H ILE A 64 9.178 -5.079 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 64 8.929 -3.397 -6.466 1.00 0.00 H new ATOM 0 HB ILE A 64 9.134 -2.700 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.179 -4.056 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.725 -2.400 -3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.232 -0.502 -4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.831 -0.838 -5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.361 -1.059 -6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.355 -3.316 -5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.357 -1.973 -6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.818 -3.654 -6.468 1.00 0.00 H new ATOM 1173 N ARG A 65 11.879 -3.549 -4.922 1.00 0.00 N ATOM 1174 CA ARG A 65 13.296 -3.221 -5.086 1.00 0.00 C ATOM 1175 C ARG A 65 13.728 -3.660 -6.488 1.00 0.00 C ATOM 1176 O ARG A 65 14.418 -2.925 -7.191 1.00 0.00 O ATOM 1177 CB ARG A 65 14.143 -3.882 -3.988 1.00 0.00 C ATOM 1178 CG ARG A 65 15.512 -3.193 -3.900 1.00 0.00 C ATOM 1179 CD ARG A 65 16.449 -3.898 -2.916 1.00 0.00 C ATOM 1180 NE ARG A 65 16.973 -5.134 -3.502 1.00 0.00 N ATOM 1181 CZ ARG A 65 17.776 -6.008 -2.900 1.00 0.00 C ATOM 1182 NH1 ARG A 65 18.263 -5.788 -1.689 1.00 0.00 N ATOM 1183 NH2 ARG A 65 18.083 -7.119 -3.550 1.00 0.00 N ATOM 0 H ARG A 65 11.687 -4.158 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 65 13.450 -2.147 -4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.629 -3.814 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.273 -4.942 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.972 -3.174 -4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.377 -2.156 -3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.274 -3.236 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.914 -4.124 -1.994 1.00 0.00 H new ATOM 0 HE ARG A 65 16.697 -5.344 -4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.025 -4.930 -1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.876 -6.477 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.707 -7.284 -4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.696 -7.810 -3.118 1.00 0.00 H new ATOM 1197 N LYS A 66 13.265 -4.840 -6.923 1.00 0.00 N ATOM 1198 CA LYS A 66 13.550 -5.395 -8.242 1.00 0.00 C ATOM 1199 C LYS A 66 13.012 -4.445 -9.308 1.00 0.00 C ATOM 1200 O LYS A 66 13.694 -4.197 -10.304 1.00 0.00 O ATOM 1201 CB LYS A 66 12.966 -6.819 -8.340 1.00 0.00 C ATOM 1202 CG LYS A 66 13.335 -7.595 -9.611 1.00 0.00 C ATOM 1203 CD LYS A 66 12.317 -7.405 -10.746 1.00 0.00 C ATOM 1204 CE LYS A 66 12.779 -8.174 -11.986 1.00 0.00 C ATOM 1205 NZ LYS A 66 11.919 -7.916 -13.158 1.00 0.00 N ATOM 0 H LYS A 66 12.671 -5.442 -6.353 1.00 0.00 H new ATOM 0 HA LYS A 66 14.624 -5.487 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.301 -7.391 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.880 -6.753 -8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.318 -7.273 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.412 -8.656 -9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.336 -7.760 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.213 -6.346 -10.981 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.806 -7.894 -12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.782 -9.242 -11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.271 -8.458 -13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.944 -8.207 -12.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.936 -6.901 -13.384 1.00 0.00 H new ATOM 1219 N ARG A 67 11.786 -3.934 -9.135 1.00 0.00 N ATOM 1220 CA ARG A 67 11.175 -3.009 -10.088 1.00 0.00 C ATOM 1221 C ARG A 67 11.924 -1.679 -10.161 1.00 0.00 C ATOM 1222 O ARG A 67 12.225 -1.258 -11.272 1.00 0.00 O ATOM 1223 CB ARG A 67 9.701 -2.755 -9.711 1.00 0.00 C ATOM 1224 CG ARG A 67 8.742 -3.908 -10.050 1.00 0.00 C ATOM 1225 CD ARG A 67 8.166 -3.811 -11.469 1.00 0.00 C ATOM 1226 NE ARG A 67 9.150 -4.107 -12.527 1.00 0.00 N ATOM 1227 CZ ARG A 67 8.939 -3.893 -13.830 1.00 0.00 C ATOM 1228 NH1 ARG A 67 7.810 -3.344 -14.261 1.00 0.00 N ATOM 1229 NH2 ARG A 67 9.851 -4.266 -14.718 1.00 0.00 N ATOM 0 H ARG A 67 11.195 -4.151 -8.333 1.00 0.00 H new ATOM 0 HA ARG A 67 11.230 -3.475 -11.072 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.643 -2.556 -8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.360 -1.855 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.269 -4.856 -9.942 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.923 -3.915 -9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.328 -4.502 -11.560 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.770 -2.807 -11.623 1.00 0.00 H new ATOM 0 HE ARG A 67 10.049 -4.500 -12.247 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.085 -3.078 -13.594 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.667 -3.188 -15.259 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.712 -4.716 -14.407 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.691 -4.103 -15.712 1.00 0.00 H new ATOM 1243 N ILE A 68 12.313 -1.068 -9.042 1.00 0.00 N ATOM 1244 CA ILE A 68 13.021 0.222 -9.029 1.00 0.00 C ATOM 1245 C ILE A 68 14.515 0.117 -9.322 1.00 0.00 C ATOM 1246 O ILE A 68 15.188 1.144 -9.282 1.00 0.00 O ATOM 1247 CB ILE A 68 12.691 1.013 -7.744 1.00 0.00 C ATOM 1248 CG1 ILE A 68 13.288 0.331 -6.497 1.00 0.00 C ATOM 1249 CG2 ILE A 68 11.169 1.228 -7.668 1.00 0.00 C ATOM 1250 CD1 ILE A 68 12.767 0.846 -5.153 1.00 0.00 C ATOM 0 H ILE A 68 12.147 -1.452 -8.112 1.00 0.00 H new ATOM 0 HA ILE A 68 12.642 0.800 -9.871 1.00 0.00 H new ATOM 0 HB ILE A 68 13.159 1.997 -7.776 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.089 -0.739 -6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 68 14.371 0.455 -6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.925 1.786 -6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 68 10.837 1.789 -8.541 1.00 0.00 H new ATOM 0 HG23 ILE A 68 10.666 0.261 -7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.250 0.301 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.991 1.909 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.689 0.696 -5.099 1.00 0.00 H new ATOM 1262 N HIS A 69 15.023 -1.095 -9.600 1.00 0.00 N ATOM 1263 CA HIS A 69 16.405 -1.429 -9.964 1.00 0.00 C ATOM 1264 C HIS A 69 17.492 -0.539 -9.324 1.00 0.00 C ATOM 1265 O HIS A 69 18.478 -0.165 -9.958 1.00 0.00 O ATOM 1266 CB HIS A 69 16.468 -1.502 -11.507 1.00 0.00 C ATOM 1267 CG HIS A 69 15.732 -0.392 -12.235 1.00 0.00 C ATOM 1268 ND1 HIS A 69 15.934 0.954 -12.089 1.00 0.00 N flip ATOM 1269 CD2 HIS A 69 14.615 -0.546 -13.031 1.00 0.00 C flip ATOM 1270 CE1 HIS A 69 14.970 1.625 -12.849 1.00 0.00 C flip ATOM 1271 NE2 HIS A 69 14.169 0.678 -13.365 1.00 0.00 N flip ATOM 0 H HIS A 69 14.433 -1.926 -9.574 1.00 0.00 H new ATOM 0 HA HIS A 69 16.657 -2.398 -9.534 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.514 -1.485 -11.814 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.057 -2.460 -11.827 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.176 -1.485 -13.333 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.886 2.692 -12.992 1.00 0.00 H new ATOM 0 HE2 HIS A 69 13.340 0.861 -13.930 1.00 0.00 H new ATOM 1279 N LEU A 70 17.323 -0.218 -8.041 1.00 0.00 N ATOM 1280 CA LEU A 70 18.224 0.627 -7.264 1.00 0.00 C ATOM 1281 C LEU A 70 19.596 -0.022 -7.037 1.00 0.00 C ATOM 1282 O LEU A 70 19.755 -1.238 -7.182 1.00 0.00 O ATOM 1283 CB LEU A 70 17.511 1.121 -5.999 1.00 0.00 C ATOM 1284 CG LEU A 70 16.910 0.060 -5.068 1.00 0.00 C ATOM 1285 CD1 LEU A 70 17.957 -0.824 -4.403 1.00 0.00 C ATOM 1286 CD2 LEU A 70 16.137 0.791 -3.981 1.00 0.00 C ATOM 0 H LEU A 70 16.527 -0.552 -7.497 1.00 0.00 H new ATOM 0 HA LEU A 70 18.471 1.518 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 70 18.221 1.713 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.710 1.794 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 70 16.279 -0.594 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.463 -1.551 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.530 -1.347 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.628 -0.207 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.695 0.065 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.814 1.443 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.348 1.390 -4.436 1.00 0.00 H new ATOM 1298 N ARG A 71 20.622 0.790 -6.788 1.00 0.00 N ATOM 1299 CA ARG A 71 22.002 0.347 -6.568 1.00 0.00 C ATOM 1300 C ARG A 71 22.114 -0.497 -5.298 1.00 0.00 C ATOM 1301 O ARG A 71 21.253 -0.396 -4.428 1.00 0.00 O ATOM 1302 CB ARG A 71 22.923 1.585 -6.452 1.00 0.00 C ATOM 1303 CG ARG A 71 22.761 2.625 -7.573 1.00 0.00 C ATOM 1304 CD ARG A 71 22.989 1.968 -8.933 1.00 0.00 C ATOM 1305 NE ARG A 71 22.840 2.933 -10.022 1.00 0.00 N ATOM 1306 CZ ARG A 71 22.415 2.653 -11.252 1.00 0.00 C ATOM 1307 NH1 ARG A 71 22.008 1.432 -11.579 1.00 0.00 N ATOM 1308 NH2 ARG A 71 22.389 3.618 -12.151 1.00 0.00 N ATOM 0 H ARG A 71 20.516 1.803 -6.732 1.00 0.00 H new ATOM 0 HA ARG A 71 22.308 -0.269 -7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 71 22.733 2.072 -5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.959 1.248 -6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 71 21.763 3.062 -7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 71 23.471 3.440 -7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 71 23.987 1.531 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 71 22.280 1.152 -9.068 1.00 0.00 H new ATOM 0 HE ARG A 71 23.082 3.903 -9.822 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.017 0.688 -10.882 1.00 0.00 H new ATOM 0 HH12 ARG A 71 21.686 1.239 -12.527 1.00 0.00 H new ATOM 0 HH21 ARG A 71 22.691 4.559 -11.898 1.00 0.00 H new ATOM 0 HH22 ARG A 71 22.067 3.423 -13.099 1.00 0.00 H new ATOM 1322 N PRO A 72 23.180 -1.297 -5.135 1.00 0.00 N ATOM 1323 CA PRO A 72 23.353 -2.105 -3.931 1.00 0.00 C ATOM 1324 C PRO A 72 23.619 -1.217 -2.707 1.00 0.00 C ATOM 1325 O PRO A 72 23.323 -1.607 -1.578 1.00 0.00 O ATOM 1326 CB PRO A 72 24.528 -3.034 -4.231 1.00 0.00 C ATOM 1327 CG PRO A 72 25.330 -2.295 -5.300 1.00 0.00 C ATOM 1328 CD PRO A 72 24.268 -1.524 -6.075 1.00 0.00 C ATOM 0 HA PRO A 72 22.456 -2.675 -3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 72 25.128 -3.217 -3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 72 24.186 -4.005 -4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 72 26.068 -1.626 -4.857 1.00 0.00 H new ATOM 0 HG3 PRO A 72 25.873 -2.987 -5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.665 -0.580 -6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 72 23.926 -2.092 -6.940 1.00 0.00 H new ATOM 1336 N GLU A 73 24.143 -0.020 -2.950 1.00 0.00 N ATOM 1337 CA GLU A 73 24.486 1.009 -1.987 1.00 0.00 C ATOM 1338 C GLU A 73 23.270 1.842 -1.566 1.00 0.00 C ATOM 1339 O GLU A 73 23.278 2.419 -0.482 1.00 0.00 O ATOM 1340 CB GLU A 73 25.487 1.893 -2.736 1.00 0.00 C ATOM 1341 CG GLU A 73 26.101 3.062 -1.957 1.00 0.00 C ATOM 1342 CD GLU A 73 26.784 4.033 -2.922 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.168 3.640 -4.052 1.00 0.00 O ATOM 1344 OE2 GLU A 73 26.899 5.232 -2.591 1.00 0.00 O ATOM 0 H GLU A 73 24.354 0.274 -3.904 1.00 0.00 H new ATOM 0 HA GLU A 73 24.880 0.578 -1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 73 26.299 1.259 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 73 24.989 2.297 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 73 25.326 3.581 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.824 2.687 -1.233 1.00 0.00 H new ATOM 1351 N ASP A 74 22.222 1.891 -2.393 1.00 0.00 N ATOM 1352 CA ASP A 74 21.018 2.672 -2.120 1.00 0.00 C ATOM 1353 C ASP A 74 20.326 2.081 -0.899 1.00 0.00 C ATOM 1354 O ASP A 74 20.075 0.868 -0.856 1.00 0.00 O ATOM 1355 CB ASP A 74 20.077 2.684 -3.339 1.00 0.00 C ATOM 1356 CG ASP A 74 20.600 3.462 -4.554 1.00 0.00 C ATOM 1357 OD1 ASP A 74 21.609 4.192 -4.441 1.00 0.00 O ATOM 1358 OD2 ASP A 74 20.011 3.306 -5.650 1.00 0.00 O ATOM 0 H ASP A 74 22.188 1.384 -3.278 1.00 0.00 H new ATOM 0 HA ASP A 74 21.291 3.708 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.885 1.654 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.121 3.111 -3.037 1.00 0.00 H new ATOM 1363 N ALA A 75 20.117 2.894 0.141 1.00 0.00 N ATOM 1364 CA ALA A 75 19.457 2.459 1.366 1.00 0.00 C ATOM 1365 C ALA A 75 17.966 2.225 1.081 1.00 0.00 C ATOM 1366 O ALA A 75 17.468 2.568 0.007 1.00 0.00 O ATOM 1367 CB ALA A 75 19.706 3.471 2.487 1.00 0.00 C ATOM 0 H ALA A 75 20.403 3.873 0.153 1.00 0.00 H new ATOM 0 HA ALA A 75 19.874 1.512 1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.208 3.136 3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 75 20.777 3.556 2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.310 4.443 2.194 1.00 0.00 H new ATOM 1373 N LEU A 76 17.261 1.529 1.981 1.00 0.00 N ATOM 1374 CA LEU A 76 15.844 1.252 1.790 1.00 0.00 C ATOM 1375 C LEU A 76 15.194 0.934 3.128 1.00 0.00 C ATOM 1376 O LEU A 76 15.619 -0.007 3.805 1.00 0.00 O ATOM 1377 CB LEU A 76 15.663 0.069 0.811 1.00 0.00 C ATOM 1378 CG LEU A 76 14.402 0.171 -0.067 1.00 0.00 C ATOM 1379 CD1 LEU A 76 14.520 1.360 -1.033 1.00 0.00 C ATOM 1380 CD2 LEU A 76 14.284 -1.124 -0.882 1.00 0.00 C ATOM 0 H LEU A 76 17.653 1.151 2.844 1.00 0.00 H new ATOM 0 HA LEU A 76 15.362 2.133 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.539 0.008 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.622 -0.859 1.382 1.00 0.00 H new ATOM 0 HG LEU A 76 13.525 0.317 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 76 13.622 1.420 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.632 2.282 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.390 1.222 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.397 -1.077 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 76 15.169 -1.242 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.202 -1.974 -0.205 1.00 0.00 H new ATOM 1392 N PHE A 77 14.151 1.686 3.476 1.00 0.00 N ATOM 1393 CA PHE A 77 13.380 1.540 4.701 1.00 0.00 C ATOM 1394 C PHE A 77 11.894 1.642 4.357 1.00 0.00 C ATOM 1395 O PHE A 77 11.528 2.292 3.367 1.00 0.00 O ATOM 1396 CB PHE A 77 13.804 2.595 5.731 1.00 0.00 C ATOM 1397 CG PHE A 77 15.279 2.535 6.090 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.774 1.477 6.875 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.168 3.504 5.590 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.147 1.395 7.167 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.542 3.417 5.875 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.033 2.361 6.661 1.00 0.00 C ATOM 0 H PHE A 77 13.809 2.444 2.885 1.00 0.00 H new ATOM 0 HA PHE A 77 13.569 0.566 5.152 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.574 3.586 5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.212 2.465 6.637 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.097 0.726 7.254 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.794 4.317 4.985 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.521 0.589 7.781 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.221 4.163 5.489 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.089 2.292 6.876 1.00 0.00 H new ATOM 1412 N PHE A 78 11.051 0.965 5.143 1.00 0.00 N ATOM 1413 CA PHE A 78 9.602 0.935 4.986 1.00 0.00 C ATOM 1414 C PHE A 78 8.962 1.015 6.369 1.00 0.00 C ATOM 1415 O PHE A 78 9.415 0.321 7.287 1.00 0.00 O ATOM 1416 CB PHE A 78 9.153 -0.365 4.309 1.00 0.00 C ATOM 1417 CG PHE A 78 9.629 -0.568 2.885 1.00 0.00 C ATOM 1418 CD1 PHE A 78 10.888 -1.147 2.639 1.00 0.00 C ATOM 1419 CD2 PHE A 78 8.800 -0.218 1.803 1.00 0.00 C ATOM 1420 CE1 PHE A 78 11.315 -1.371 1.321 1.00 0.00 C ATOM 1421 CE2 PHE A 78 9.227 -0.447 0.483 1.00 0.00 C ATOM 1422 CZ PHE A 78 10.486 -1.023 0.241 1.00 0.00 C ATOM 0 H PHE A 78 11.375 0.405 5.932 1.00 0.00 H new ATOM 0 HA PHE A 78 9.296 1.777 4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.501 -1.204 4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.064 -0.398 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.527 -1.419 3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.834 0.228 1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.283 -1.812 1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.587 -0.180 -0.345 1.00 0.00 H new ATOM 0 HZ PHE A 78 10.816 -1.198 -0.773 1.00 0.00 H new ATOM 1432 N PHE A 79 7.898 1.805 6.516 1.00 0.00 N ATOM 1433 CA PHE A 79 7.173 1.997 7.770 1.00 0.00 C ATOM 1434 C PHE A 79 5.674 1.809 7.530 1.00 0.00 C ATOM 1435 O PHE A 79 5.180 2.021 6.421 1.00 0.00 O ATOM 1436 CB PHE A 79 7.436 3.410 8.328 1.00 0.00 C ATOM 1437 CG PHE A 79 8.872 3.914 8.274 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.933 3.115 8.742 1.00 0.00 C ATOM 1439 CD2 PHE A 79 9.153 5.191 7.747 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.259 3.574 8.662 1.00 0.00 C ATOM 1441 CE2 PHE A 79 10.479 5.656 7.679 1.00 0.00 C ATOM 1442 CZ PHE A 79 11.534 4.845 8.129 1.00 0.00 C ATOM 0 H PHE A 79 7.507 2.344 5.743 1.00 0.00 H new ATOM 0 HA PHE A 79 7.521 1.262 8.495 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.808 4.113 7.781 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.107 3.431 9.367 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.726 2.143 9.165 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.346 5.816 7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.068 2.949 9.011 1.00 0.00 H new ATOM 0 HE2 PHE A 79 10.686 6.638 7.280 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.553 5.197 8.066 1.00 0.00 H new ATOM 1452 N VAL A 80 4.951 1.365 8.553 1.00 0.00 N ATOM 1453 CA VAL A 80 3.506 1.147 8.542 1.00 0.00 C ATOM 1454 C VAL A 80 3.028 1.539 9.938 1.00 0.00 C ATOM 1455 O VAL A 80 3.729 1.254 10.906 1.00 0.00 O ATOM 1456 CB VAL A 80 3.157 -0.303 8.131 1.00 0.00 C ATOM 1457 CG1 VAL A 80 4.041 -1.368 8.787 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.693 -0.663 8.411 1.00 0.00 C ATOM 0 H VAL A 80 5.374 1.137 9.453 1.00 0.00 H new ATOM 0 HA VAL A 80 2.993 1.752 7.794 1.00 0.00 H new ATOM 0 HB VAL A 80 3.343 -0.312 7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.732 -2.357 8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.082 -1.198 8.511 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.939 -1.308 9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.506 -1.692 8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.491 -0.561 9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.040 0.008 7.852 1.00 0.00 H new ATOM 1468 N ASN A 81 1.855 2.169 10.056 1.00 0.00 N ATOM 1469 CA ASN A 81 1.241 2.628 11.307 1.00 0.00 C ATOM 1470 C ASN A 81 2.267 3.333 12.204 1.00 0.00 C ATOM 1471 O ASN A 81 2.291 3.141 13.421 1.00 0.00 O ATOM 1472 CB ASN A 81 0.516 1.461 12.007 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.617 1.954 12.903 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -1.404 2.808 12.502 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -0.787 1.408 14.094 1.00 0.00 N ATOM 0 H ASN A 81 1.279 2.383 9.242 1.00 0.00 H new ATOM 0 HA ASN A 81 0.483 3.377 11.079 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.116 0.779 11.257 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.231 0.894 12.604 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.571 1.696 14.680 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.134 0.699 14.428 1.00 0.00 H new ATOM 1482 N ASN A 82 3.150 4.133 11.586 1.00 0.00 N ATOM 1483 CA ASN A 82 4.245 4.893 12.196 1.00 0.00 C ATOM 1484 C ASN A 82 5.092 4.000 13.106 1.00 0.00 C ATOM 1485 O ASN A 82 5.619 4.450 14.125 1.00 0.00 O ATOM 1486 CB ASN A 82 3.742 6.174 12.883 1.00 0.00 C ATOM 1487 CG ASN A 82 3.137 7.182 11.913 1.00 0.00 C ATOM 1488 OD1 ASN A 82 1.988 7.580 12.060 1.00 0.00 O ATOM 1489 ND2 ASN A 82 3.858 7.606 10.890 1.00 0.00 N ATOM 0 H ASN A 82 3.112 4.274 10.576 1.00 0.00 H new ATOM 0 HA ASN A 82 4.907 5.235 11.401 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.995 5.907 13.631 1.00 0.00 H new ATOM 0 HB3 ASN A 82 4.571 6.643 13.413 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.458 8.265 10.222 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.815 7.274 10.768 1.00 0.00 H new ATOM 1496 N THR A 83 5.261 2.743 12.711 1.00 0.00 N ATOM 1497 CA THR A 83 5.979 1.677 13.384 1.00 0.00 C ATOM 1498 C THR A 83 6.924 1.008 12.373 1.00 0.00 C ATOM 1499 O THR A 83 6.717 1.095 11.155 1.00 0.00 O ATOM 1500 CB THR A 83 4.911 0.721 13.957 1.00 0.00 C ATOM 1501 OG1 THR A 83 4.020 1.448 14.789 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.502 -0.397 14.811 1.00 0.00 C ATOM 0 H THR A 83 4.861 2.419 11.831 1.00 0.00 H new ATOM 0 HA THR A 83 6.605 2.027 14.205 1.00 0.00 H new ATOM 0 HB THR A 83 4.410 0.278 13.097 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.427 1.996 14.233 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.699 -1.033 15.183 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.187 -0.993 14.207 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.042 0.035 15.653 1.00 0.00 H new ATOM 1510 N ILE A 84 8.007 0.405 12.871 1.00 0.00 N ATOM 1511 CA ILE A 84 9.012 -0.291 12.077 1.00 0.00 C ATOM 1512 C ILE A 84 8.860 -1.781 12.425 1.00 0.00 C ATOM 1513 O ILE A 84 9.491 -2.231 13.381 1.00 0.00 O ATOM 1514 CB ILE A 84 10.434 0.273 12.333 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.449 1.821 12.305 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.399 -0.331 11.297 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.847 2.450 12.341 1.00 0.00 C ATOM 0 H ILE A 84 8.211 0.390 13.870 1.00 0.00 H new ATOM 0 HA ILE A 84 8.865 -0.145 11.007 1.00 0.00 H new ATOM 0 HB ILE A 84 10.761 -0.012 13.333 1.00 0.00 H new ATOM 0 HG12 ILE A 84 9.937 2.159 11.404 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.877 2.192 13.156 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.403 0.057 11.466 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.408 -1.416 11.398 1.00 0.00 H new ATOM 0 HG23 ILE A 84 11.070 -0.062 10.293 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.758 3.536 12.318 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.359 2.147 13.254 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.419 2.114 11.476 1.00 0.00 H new ATOM 1529 N PRO A 85 8.004 -2.539 11.722 1.00 0.00 N ATOM 1530 CA PRO A 85 7.778 -3.962 11.992 1.00 0.00 C ATOM 1531 C PRO A 85 8.913 -4.869 11.471 1.00 0.00 C ATOM 1532 O PRO A 85 9.719 -4.420 10.647 1.00 0.00 O ATOM 1533 CB PRO A 85 6.468 -4.246 11.264 1.00 0.00 C ATOM 1534 CG PRO A 85 6.612 -3.386 10.016 1.00 0.00 C ATOM 1535 CD PRO A 85 7.201 -2.106 10.585 1.00 0.00 C ATOM 0 HA PRO A 85 7.745 -4.173 13.061 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.356 -5.303 11.022 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.600 -3.962 11.859 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.269 -3.845 9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.654 -3.213 9.526 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.811 -1.588 9.845 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.418 -1.414 10.894 1.00 0.00 H new ATOM 1543 N PRO A 86 8.960 -6.156 11.880 1.00 0.00 N ATOM 1544 CA PRO A 86 9.996 -7.089 11.446 1.00 0.00 C ATOM 1545 C PRO A 86 9.841 -7.502 9.980 1.00 0.00 C ATOM 1546 O PRO A 86 8.740 -7.514 9.422 1.00 0.00 O ATOM 1547 CB PRO A 86 9.887 -8.298 12.379 1.00 0.00 C ATOM 1548 CG PRO A 86 8.443 -8.278 12.862 1.00 0.00 C ATOM 1549 CD PRO A 86 8.066 -6.798 12.839 1.00 0.00 C ATOM 0 HA PRO A 86 10.979 -6.621 11.503 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.117 -9.226 11.855 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.585 -8.221 13.212 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.796 -8.865 12.210 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.351 -8.698 13.864 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.024 -6.668 12.545 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.176 -6.354 13.829 1.00 0.00 H new ATOM 1557 N THR A 87 10.950 -7.924 9.372 1.00 0.00 N ATOM 1558 CA THR A 87 11.039 -8.351 7.976 1.00 0.00 C ATOM 1559 C THR A 87 10.307 -9.672 7.732 1.00 0.00 C ATOM 1560 O THR A 87 9.707 -9.873 6.674 1.00 0.00 O ATOM 1561 CB THR A 87 12.532 -8.456 7.598 1.00 0.00 C ATOM 1562 OG1 THR A 87 13.187 -9.482 8.329 1.00 0.00 O ATOM 1563 CG2 THR A 87 13.290 -7.150 7.888 1.00 0.00 C ATOM 0 H THR A 87 11.845 -7.980 9.857 1.00 0.00 H new ATOM 0 HA THR A 87 10.546 -7.614 7.342 1.00 0.00 H new ATOM 0 HB THR A 87 12.547 -8.675 6.530 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.130 -9.522 8.064 1.00 0.00 H new ATOM 0 HG21 THR A 87 14.337 -7.267 7.608 1.00 0.00 H new ATOM 0 HG22 THR A 87 12.848 -6.337 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 87 13.223 -6.919 8.951 1.00 0.00 H new ATOM 1571 N SER A 88 10.311 -10.563 8.725 1.00 0.00 N ATOM 1572 CA SER A 88 9.654 -11.853 8.638 1.00 0.00 C ATOM 1573 C SER A 88 8.144 -11.732 8.881 1.00 0.00 C ATOM 1574 O SER A 88 7.462 -12.760 8.879 1.00 0.00 O ATOM 1575 CB SER A 88 10.355 -12.874 9.542 1.00 0.00 C ATOM 1576 OG SER A 88 10.250 -14.185 9.000 1.00 0.00 O ATOM 0 H SER A 88 10.777 -10.401 9.618 1.00 0.00 H new ATOM 0 HA SER A 88 9.747 -12.234 7.621 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.405 -12.605 9.655 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.911 -12.850 10.537 1.00 0.00 H new ATOM 0 HG SER A 88 10.705 -14.821 9.591 1.00 0.00 H new ATOM 1582 N ALA A 89 7.598 -10.541 9.169 1.00 0.00 N ATOM 1583 CA ALA A 89 6.156 -10.436 9.362 1.00 0.00 C ATOM 1584 C ALA A 89 5.458 -10.731 8.031 1.00 0.00 C ATOM 1585 O ALA A 89 6.089 -10.777 6.963 1.00 0.00 O ATOM 1586 CB ALA A 89 5.745 -9.036 9.819 1.00 0.00 C ATOM 0 H ALA A 89 8.117 -9.669 9.269 1.00 0.00 H new ATOM 0 HA ALA A 89 5.866 -11.150 10.133 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.664 -8.999 9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.234 -8.804 10.765 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.043 -8.306 9.067 1.00 0.00 H new ATOM 1592 N THR A 90 4.143 -10.880 8.094 1.00 0.00 N ATOM 1593 CA THR A 90 3.300 -11.144 6.946 1.00 0.00 C ATOM 1594 C THR A 90 2.308 -10.001 6.788 1.00 0.00 C ATOM 1595 O THR A 90 2.042 -9.247 7.731 1.00 0.00 O ATOM 1596 CB THR A 90 2.628 -12.518 7.075 1.00 0.00 C ATOM 1597 OG1 THR A 90 2.040 -12.655 8.350 1.00 0.00 O ATOM 1598 CG2 THR A 90 3.641 -13.646 6.872 1.00 0.00 C ATOM 0 H THR A 90 3.623 -10.818 8.969 1.00 0.00 H new ATOM 0 HA THR A 90 3.898 -11.189 6.036 1.00 0.00 H new ATOM 0 HB THR A 90 1.861 -12.586 6.304 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.613 -13.534 8.421 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.138 -14.608 6.969 1.00 0.00 H new ATOM 0 HG22 THR A 90 4.081 -13.565 5.878 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.426 -13.570 7.624 1.00 0.00 H new ATOM 1606 N MET A 91 1.778 -9.867 5.575 1.00 0.00 N ATOM 1607 CA MET A 91 0.806 -8.851 5.233 1.00 0.00 C ATOM 1608 C MET A 91 -0.412 -9.024 6.130 1.00 0.00 C ATOM 1609 O MET A 91 -0.954 -8.025 6.586 1.00 0.00 O ATOM 1610 CB MET A 91 0.426 -8.959 3.750 1.00 0.00 C ATOM 1611 CG MET A 91 1.567 -8.559 2.800 1.00 0.00 C ATOM 1612 SD MET A 91 2.387 -6.961 3.100 1.00 0.00 S ATOM 1613 CE MET A 91 0.966 -5.859 3.347 1.00 0.00 C ATOM 0 H MET A 91 2.021 -10.476 4.794 1.00 0.00 H new ATOM 0 HA MET A 91 1.227 -7.858 5.391 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.124 -9.984 3.533 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.438 -8.324 3.556 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.327 -9.340 2.839 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.172 -8.549 1.784 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.319 -4.840 3.505 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.325 -5.888 2.466 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.399 -6.186 4.219 1.00 0.00 H new ATOM 1623 N GLY A 92 -0.790 -10.278 6.405 1.00 0.00 N ATOM 1624 CA GLY A 92 -1.907 -10.644 7.242 1.00 0.00 C ATOM 1625 C GLY A 92 -1.653 -10.190 8.665 1.00 0.00 C ATOM 1626 O GLY A 92 -2.492 -9.494 9.211 1.00 0.00 O ATOM 0 H GLY A 92 -0.297 -11.088 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.822 -10.188 6.863 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.054 -11.724 7.216 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.479 -10.470 9.238 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.187 -10.085 10.616 1.00 0.00 C ATOM 1632 C GLN A 93 -0.298 -8.579 10.813 1.00 0.00 C ATOM 1633 O GLN A 93 -0.958 -8.139 11.751 1.00 0.00 O ATOM 1634 CB GLN A 93 1.233 -10.538 10.983 1.00 0.00 C ATOM 1635 CG GLN A 93 1.576 -10.363 12.472 1.00 0.00 C ATOM 1636 CD GLN A 93 1.047 -11.488 13.367 1.00 0.00 C ATOM 1637 OE1 GLN A 93 0.261 -12.346 12.967 1.00 0.00 O ATOM 1638 NE2 GLN A 93 1.563 -11.571 14.585 1.00 0.00 N ATOM 0 H GLN A 93 0.281 -10.961 8.768 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.920 -10.568 11.262 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.350 -11.588 10.714 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.950 -9.974 10.386 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.659 -10.304 12.581 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.169 -9.414 12.819 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.214 -10.858 14.913 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.309 -12.348 15.195 1.00 0.00 H new ATOM 1647 N LEU A 94 0.365 -7.783 9.969 1.00 0.00 N ATOM 1648 CA LEU A 94 0.298 -6.332 10.115 1.00 0.00 C ATOM 1649 C LEU A 94 -1.114 -5.814 9.812 1.00 0.00 C ATOM 1650 O LEU A 94 -1.578 -4.912 10.497 1.00 0.00 O ATOM 1651 CB LEU A 94 1.442 -5.641 9.356 1.00 0.00 C ATOM 1652 CG LEU A 94 1.472 -5.861 7.835 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.760 -4.731 7.100 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.914 -5.913 7.324 1.00 0.00 C ATOM 0 H LEU A 94 0.942 -8.112 9.195 1.00 0.00 H new ATOM 0 HA LEU A 94 0.469 -6.060 11.157 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.383 -4.569 9.547 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.388 -5.987 9.772 1.00 0.00 H new ATOM 0 HG LEU A 94 0.965 -6.807 7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.798 -4.915 6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.280 -4.685 7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.252 -3.785 7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.912 -6.069 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.415 -4.973 7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.442 -6.734 7.809 1.00 0.00 H new ATOM 1666 N TYR A 95 -1.818 -6.354 8.815 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.184 -5.948 8.475 1.00 0.00 C ATOM 1668 C TYR A 95 -4.127 -6.263 9.642 1.00 0.00 C ATOM 1669 O TYR A 95 -5.013 -5.473 9.952 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.614 -6.685 7.207 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.101 -6.779 6.914 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.926 -5.634 6.883 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -5.653 -8.046 6.642 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -7.288 -5.755 6.544 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.008 -8.171 6.307 1.00 0.00 C ATOM 1676 CZ TYR A 95 -7.829 -7.026 6.242 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.131 -7.164 5.879 1.00 0.00 O ATOM 0 H TYR A 95 -1.452 -7.093 8.215 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.224 -4.874 8.293 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.135 -6.198 6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.218 -7.699 7.258 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.513 -4.665 7.119 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.029 -8.926 6.692 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.918 -4.878 6.515 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.424 -9.145 6.098 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.223 -7.931 5.277 1.00 0.00 H new ATOM 1687 N GLU A 96 -3.942 -7.419 10.275 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.700 -7.925 11.403 1.00 0.00 C ATOM 1689 C GLU A 96 -4.440 -7.043 12.616 1.00 0.00 C ATOM 1690 O GLU A 96 -5.377 -6.670 13.310 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.270 -9.381 11.659 1.00 0.00 C ATOM 1692 CG GLU A 96 -5.008 -10.087 12.801 1.00 0.00 C ATOM 1693 CD GLU A 96 -4.284 -11.383 13.182 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -4.270 -12.342 12.370 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -3.720 -11.449 14.305 1.00 0.00 O ATOM 0 H GLU A 96 -3.207 -8.066 9.989 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.771 -7.906 11.199 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.418 -9.953 10.743 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.202 -9.395 11.874 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.067 -9.428 13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.031 -10.310 12.499 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.190 -6.654 12.856 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.850 -5.829 14.007 1.00 0.00 C ATOM 1704 C ASP A 97 -3.182 -4.342 13.833 1.00 0.00 C ATOM 1705 O ASP A 97 -3.529 -3.659 14.794 1.00 0.00 O ATOM 1706 CB ASP A 97 -1.364 -6.001 14.318 1.00 0.00 C ATOM 1707 CG ASP A 97 -1.058 -5.448 15.699 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -1.737 -5.866 16.666 1.00 0.00 O ATOM 1709 OD2 ASP A 97 -0.091 -4.668 15.837 1.00 0.00 O ATOM 0 H ASP A 97 -2.395 -6.899 12.265 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.469 -6.173 14.836 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.093 -7.056 14.271 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.764 -5.484 13.569 1.00 0.00 H new ATOM 1714 N ASN A 98 -3.113 -3.835 12.602 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.372 -2.447 12.208 1.00 0.00 C ATOM 1716 C ASN A 98 -4.801 -2.223 11.707 1.00 0.00 C ATOM 1717 O ASN A 98 -5.106 -1.121 11.240 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.320 -1.935 11.203 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.882 -1.983 11.720 1.00 0.00 C ATOM 1720 OD1 ASN A 98 0.053 -2.287 10.985 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -0.640 -1.648 12.978 1.00 0.00 N ATOM 0 H ASN A 98 -2.859 -4.417 11.803 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.277 -1.849 13.114 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.386 -2.529 10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.563 -0.907 10.933 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.318 -1.644 13.330 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.411 -1.394 13.596 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.644 -3.255 11.720 1.00 0.00 N ATOM 1729 CA HIS A 99 -7.028 -3.248 11.271 1.00 0.00 C ATOM 1730 C HIS A 99 -7.783 -1.973 11.680 1.00 0.00 C ATOM 1731 O HIS A 99 -7.756 -1.558 12.842 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.730 -4.532 11.744 1.00 0.00 C ATOM 1733 CG HIS A 99 -8.080 -4.554 13.209 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -7.269 -4.969 14.237 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -9.264 -4.153 13.756 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -7.942 -4.823 15.385 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -9.168 -4.327 15.141 1.00 0.00 N ATOM 0 H HIS A 99 -5.358 -4.171 12.066 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.032 -3.235 10.181 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.643 -4.665 11.164 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.086 -5.384 11.525 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.318 -5.327 14.142 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -10.119 -3.771 13.218 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.557 -5.068 16.364 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.452 -1.357 10.706 1.00 0.00 N ATOM 1746 CA GLU A 100 -9.252 -0.148 10.850 1.00 0.00 C ATOM 1747 C GLU A 100 -10.665 -0.449 10.350 1.00 0.00 C ATOM 1748 O GLU A 100 -10.896 -1.435 9.639 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.642 1.001 10.023 1.00 0.00 C ATOM 1750 CG GLU A 100 -7.452 1.706 10.678 1.00 0.00 C ATOM 1751 CD GLU A 100 -7.804 2.346 12.020 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -8.709 3.211 12.079 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -7.231 1.920 13.049 1.00 0.00 O ATOM 0 H GLU A 100 -8.448 -1.708 9.748 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.274 0.158 11.896 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.325 0.606 9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.419 1.739 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.646 0.987 10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.075 2.474 10.003 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.602 0.462 10.609 1.00 0.00 N ATOM 1761 CA GLU A 101 -12.998 0.312 10.206 1.00 0.00 C ATOM 1762 C GLU A 101 -13.201 0.532 8.702 1.00 0.00 C ATOM 1763 O GLU A 101 -14.303 0.309 8.190 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.857 1.294 11.007 1.00 0.00 C ATOM 1765 CG GLU A 101 -13.547 2.773 10.745 1.00 0.00 C ATOM 1766 CD GLU A 101 -14.428 3.656 11.621 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -15.585 3.911 11.216 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -13.973 4.091 12.707 1.00 0.00 O ATOM 0 H GLU A 101 -11.411 1.331 11.108 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.301 -0.714 10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -14.906 1.110 10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.723 1.091 12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.496 2.975 10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.715 3.007 9.694 1.00 0.00 H new ATOM 1775 N ASP A 102 -12.141 0.965 8.015 1.00 0.00 N ATOM 1776 CA ASP A 102 -12.070 1.234 6.585 1.00 0.00 C ATOM 1777 C ASP A 102 -11.325 0.125 5.840 1.00 0.00 C ATOM 1778 O ASP A 102 -11.230 0.169 4.615 1.00 0.00 O ATOM 1779 CB ASP A 102 -11.434 2.607 6.322 1.00 0.00 C ATOM 1780 CG ASP A 102 -9.908 2.675 6.496 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -9.262 1.672 6.862 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -9.356 3.778 6.279 1.00 0.00 O ATOM 0 H ASP A 102 -11.251 1.148 8.479 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.089 1.253 6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.680 2.913 5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.891 3.334 6.993 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.820 -0.890 6.557 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.105 -2.036 6.006 1.00 0.00 C ATOM 1789 C TYR A 103 -8.880 -1.691 5.137 1.00 0.00 C ATOM 1790 O TYR A 103 -8.446 -2.550 4.363 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.143 -2.871 5.222 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.210 -3.531 6.079 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -11.861 -4.477 7.061 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.563 -3.194 5.891 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -12.862 -5.103 7.823 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.574 -3.861 6.606 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.224 -4.826 7.575 1.00 0.00 C ATOM 1798 OH TYR A 103 -15.201 -5.470 8.269 1.00 0.00 O ATOM 0 H TYR A 103 -10.905 -0.931 7.573 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.668 -2.596 6.833 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.631 -2.225 4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.618 -3.644 4.662 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.823 -4.722 7.229 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.828 -2.416 5.191 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -12.588 -5.799 8.602 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.613 -3.636 6.415 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.079 -5.154 7.968 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.320 -0.478 5.179 1.00 0.00 N ATOM 1809 CA PHE A 104 -7.174 -0.117 4.339 1.00 0.00 C ATOM 1810 C PHE A 104 -5.877 -0.201 5.126 1.00 0.00 C ATOM 1811 O PHE A 104 -5.872 -0.049 6.353 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.335 1.303 3.769 1.00 0.00 C ATOM 1813 CG PHE A 104 -8.079 1.383 2.451 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -7.448 0.962 1.263 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -9.384 1.904 2.399 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -8.122 1.050 0.030 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -10.051 2.000 1.165 1.00 0.00 C ATOM 1818 CZ PHE A 104 -9.428 1.567 -0.017 1.00 0.00 C ATOM 0 H PHE A 104 -8.644 0.273 5.788 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.137 -0.828 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.859 1.916 4.503 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.345 1.740 3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.442 0.570 1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -9.873 2.230 3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.637 0.721 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -11.050 2.410 1.126 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.951 1.631 -0.960 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.773 -0.445 4.407 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.455 -0.535 5.015 1.00 0.00 C ATOM 1830 C LEU A 105 -2.532 0.428 4.273 1.00 0.00 C ATOM 1831 O LEU A 105 -2.406 0.339 3.058 1.00 0.00 O ATOM 1832 CB LEU A 105 -3.003 -2.003 4.907 1.00 0.00 C ATOM 1833 CG LEU A 105 -1.970 -2.488 5.936 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -0.620 -1.809 5.684 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -2.416 -2.277 7.387 1.00 0.00 C ATOM 0 H LEU A 105 -4.776 -0.583 3.396 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.446 -0.253 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.886 -2.637 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.589 -2.158 3.911 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.871 -3.565 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.106 -2.159 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.270 -2.056 4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.734 -0.729 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.642 -2.641 8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.583 -1.215 7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.341 -2.825 7.567 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.835 1.310 4.976 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.911 2.289 4.419 1.00 0.00 C ATOM 1849 C TYR A 106 0.525 1.868 4.710 1.00 0.00 C ATOM 1850 O TYR A 106 0.818 1.369 5.798 1.00 0.00 O ATOM 1851 CB TYR A 106 -1.225 3.671 5.018 1.00 0.00 C ATOM 1852 CG TYR A 106 -0.127 4.714 4.895 1.00 0.00 C ATOM 1853 CD1 TYR A 106 0.991 4.669 5.754 1.00 0.00 C ATOM 1854 CD2 TYR A 106 -0.236 5.747 3.948 1.00 0.00 C ATOM 1855 CE1 TYR A 106 2.004 5.636 5.660 1.00 0.00 C ATOM 1856 CE2 TYR A 106 0.765 6.729 3.867 1.00 0.00 C ATOM 1857 CZ TYR A 106 1.891 6.685 4.723 1.00 0.00 C ATOM 1858 OH TYR A 106 2.838 7.667 4.681 1.00 0.00 O ATOM 0 H TYR A 106 -1.901 1.365 5.992 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.028 2.345 3.337 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.123 4.059 4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.460 3.542 6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.068 3.883 6.491 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.087 5.786 3.284 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.869 5.577 6.304 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.674 7.526 3.144 1.00 0.00 H new ATOM 0 HH TYR A 106 2.610 8.311 3.978 1.00 0.00 H new ATOM 1868 N VAL A 107 1.427 2.073 3.752 1.00 0.00 N ATOM 1869 CA VAL A 107 2.845 1.772 3.879 1.00 0.00 C ATOM 1870 C VAL A 107 3.605 2.961 3.287 1.00 0.00 C ATOM 1871 O VAL A 107 3.237 3.480 2.230 1.00 0.00 O ATOM 1872 CB VAL A 107 3.190 0.403 3.255 1.00 0.00 C ATOM 1873 CG1 VAL A 107 2.983 0.341 1.735 1.00 0.00 C ATOM 1874 CG2 VAL A 107 4.630 -0.014 3.591 1.00 0.00 C ATOM 0 H VAL A 107 1.181 2.464 2.842 1.00 0.00 H new ATOM 0 HA VAL A 107 3.146 1.657 4.920 1.00 0.00 H new ATOM 0 HB VAL A 107 2.485 -0.298 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.247 -0.652 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.938 0.547 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.617 1.084 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.844 -0.982 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.325 0.730 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.745 -0.086 4.673 1.00 0.00 H new ATOM 1884 N ALA A 108 4.661 3.394 3.971 1.00 0.00 N ATOM 1885 CA ALA A 108 5.514 4.502 3.578 1.00 0.00 C ATOM 1886 C ALA A 108 6.892 3.956 3.251 1.00 0.00 C ATOM 1887 O ALA A 108 7.353 3.060 3.962 1.00 0.00 O ATOM 1888 CB ALA A 108 5.653 5.467 4.754 1.00 0.00 C ATOM 0 H ALA A 108 4.954 2.963 4.848 1.00 0.00 H new ATOM 0 HA ALA A 108 5.084 5.014 2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.292 6.302 4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.669 5.843 5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.097 4.946 5.602 1.00 0.00 H new ATOM 1894 N TYR A 109 7.571 4.515 2.248 1.00 0.00 N ATOM 1895 CA TYR A 109 8.912 4.062 1.882 1.00 0.00 C ATOM 1896 C TYR A 109 9.869 5.236 1.646 1.00 0.00 C ATOM 1897 O TYR A 109 9.435 6.312 1.227 1.00 0.00 O ATOM 1898 CB TYR A 109 8.823 3.135 0.662 1.00 0.00 C ATOM 1899 CG TYR A 109 8.660 3.816 -0.685 1.00 0.00 C ATOM 1900 CD1 TYR A 109 9.787 4.359 -1.331 1.00 0.00 C ATOM 1901 CD2 TYR A 109 7.403 3.870 -1.315 1.00 0.00 C ATOM 1902 CE1 TYR A 109 9.662 4.972 -2.585 1.00 0.00 C ATOM 1903 CE2 TYR A 109 7.285 4.428 -2.601 1.00 0.00 C ATOM 1904 CZ TYR A 109 8.413 4.991 -3.239 1.00 0.00 C ATOM 1905 OH TYR A 109 8.302 5.551 -4.474 1.00 0.00 O ATOM 0 H TYR A 109 7.214 5.281 1.676 1.00 0.00 H new ATOM 0 HA TYR A 109 9.331 3.499 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.724 2.523 0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.982 2.457 0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.755 4.303 -0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.529 3.483 -0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.522 5.430 -3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.329 4.426 -3.103 1.00 0.00 H new ATOM 0 HH TYR A 109 7.375 5.480 -4.783 1.00 0.00 H new ATOM 1915 N SER A 110 11.166 5.021 1.895 1.00 0.00 N ATOM 1916 CA SER A 110 12.235 6.000 1.713 1.00 0.00 C ATOM 1917 C SER A 110 13.584 5.301 1.536 1.00 0.00 C ATOM 1918 O SER A 110 13.693 4.090 1.756 1.00 0.00 O ATOM 1919 CB SER A 110 12.335 6.961 2.901 1.00 0.00 C ATOM 1920 OG SER A 110 12.893 8.185 2.466 1.00 0.00 O ATOM 0 H SER A 110 11.509 4.125 2.242 1.00 0.00 H new ATOM 0 HA SER A 110 11.989 6.570 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.348 7.130 3.331 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.953 6.525 3.685 1.00 0.00 H new ATOM 0 HG SER A 110 13.682 8.395 3.007 1.00 0.00 H new ATOM 1926 N ASP A 111 14.557 6.043 1.004 1.00 0.00 N ATOM 1927 CA ASP A 111 15.926 5.568 0.804 1.00 0.00 C ATOM 1928 C ASP A 111 16.566 5.603 2.184 1.00 0.00 C ATOM 1929 O ASP A 111 16.947 4.568 2.716 1.00 0.00 O ATOM 1930 CB ASP A 111 16.717 6.468 -0.166 1.00 0.00 C ATOM 1931 CG ASP A 111 18.233 6.180 -0.195 1.00 0.00 C ATOM 1932 OD1 ASP A 111 18.965 6.642 0.710 1.00 0.00 O ATOM 1933 OD2 ASP A 111 18.743 5.669 -1.216 1.00 0.00 O ATOM 0 H ASP A 111 14.413 7.005 0.696 1.00 0.00 H new ATOM 0 HA ASP A 111 15.928 4.572 0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.315 6.343 -1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.561 7.510 0.113 1.00 0.00 H new ATOM 1938 N GLU A 112 16.624 6.792 2.787 1.00 0.00 N ATOM 1939 CA GLU A 112 17.212 7.018 4.093 1.00 0.00 C ATOM 1940 C GLU A 112 16.109 7.289 5.110 1.00 0.00 C ATOM 1941 O GLU A 112 15.097 7.923 4.789 1.00 0.00 O ATOM 1942 CB GLU A 112 18.225 8.176 4.033 1.00 0.00 C ATOM 1943 CG GLU A 112 17.654 9.504 3.492 1.00 0.00 C ATOM 1944 CD GLU A 112 18.647 10.674 3.566 1.00 0.00 C ATOM 1945 OE1 GLU A 112 19.661 10.586 4.297 1.00 0.00 O ATOM 1946 OE2 GLU A 112 18.393 11.739 2.950 1.00 0.00 O ATOM 0 H GLU A 112 16.251 7.641 2.363 1.00 0.00 H new ATOM 0 HA GLU A 112 17.755 6.126 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.620 8.347 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.064 7.875 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.348 9.363 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.758 9.762 4.057 1.00 0.00 H new ATOM 1953 N SER A 113 16.257 6.776 6.331 1.00 0.00 N ATOM 1954 CA SER A 113 15.278 7.007 7.377 1.00 0.00 C ATOM 1955 C SER A 113 15.513 8.446 7.843 1.00 0.00 C ATOM 1956 O SER A 113 16.366 8.666 8.709 1.00 0.00 O ATOM 1957 CB SER A 113 15.502 5.969 8.488 1.00 0.00 C ATOM 1958 OG SER A 113 16.876 5.905 8.844 1.00 0.00 O ATOM 0 H SER A 113 17.048 6.198 6.614 1.00 0.00 H new ATOM 0 HA SER A 113 14.244 6.895 7.051 1.00 0.00 H new ATOM 0 HB2 SER A 113 14.906 6.230 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 113 15.162 4.989 8.152 1.00 0.00 H new ATOM 0 HG SER A 113 17.229 6.813 8.949 1.00 0.00 H new ATOM 2086 N GLU B 730 -14.079 -1.818 -6.695 1.00 0.00 N ATOM 2087 CA GLU B 730 -13.156 -0.707 -6.882 1.00 0.00 C ATOM 2088 C GLU B 730 -11.990 -1.183 -7.759 1.00 0.00 C ATOM 2089 O GLU B 730 -11.556 -2.329 -7.598 1.00 0.00 O ATOM 2090 CB GLU B 730 -12.651 -0.231 -5.511 1.00 0.00 C ATOM 2091 CG GLU B 730 -13.699 -0.200 -4.384 1.00 0.00 C ATOM 2092 CD GLU B 730 -14.915 0.691 -4.663 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -14.929 1.477 -5.632 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -15.886 0.647 -3.874 1.00 0.00 O ATOM 0 HA GLU B 730 -13.654 0.129 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -11.832 -0.880 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -12.238 0.771 -5.625 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -14.046 -1.217 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -13.217 0.142 -3.468 1.00 0.00 H new ATOM 2101 N ASP B 731 -11.468 -0.342 -8.660 1.00 0.00 N ATOM 2102 CA ASP B 731 -10.362 -0.721 -9.547 1.00 0.00 C ATOM 2103 C ASP B 731 -9.023 -0.244 -9.000 1.00 0.00 C ATOM 2104 O ASP B 731 -8.668 0.935 -9.117 1.00 0.00 O ATOM 2105 CB ASP B 731 -10.552 -0.117 -10.953 1.00 0.00 C ATOM 2106 CG ASP B 731 -11.304 -1.009 -11.935 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -11.160 -2.251 -11.899 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -11.950 -0.450 -12.851 1.00 0.00 O ATOM 0 H ASP B 731 -11.798 0.614 -8.794 1.00 0.00 H new ATOM 0 HA ASP B 731 -10.365 -1.809 -9.605 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -11.088 0.828 -10.858 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -9.572 0.113 -11.370 1.00 0.00 H new ATOM 2113 N TYR B 732 -8.248 -1.192 -8.481 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.917 -1.037 -7.907 1.00 0.00 C ATOM 2115 C TYR B 732 -6.057 -2.194 -8.455 1.00 0.00 C ATOM 2116 O TYR B 732 -6.588 -3.072 -9.148 1.00 0.00 O ATOM 2117 CB TYR B 732 -7.036 -0.971 -6.376 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.885 0.168 -5.833 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -7.767 1.458 -6.381 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -8.838 -0.074 -4.825 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.683 2.463 -6.042 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -9.732 0.948 -4.438 1.00 0.00 C ATOM 2123 CZ TYR B 732 -9.692 2.204 -5.092 1.00 0.00 C ATOM 2124 OH TYR B 732 -10.649 3.151 -4.889 1.00 0.00 O ATOM 0 H TYR B 732 -8.559 -2.163 -8.449 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.422 -0.108 -8.189 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -7.453 -1.913 -6.021 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -6.034 -0.887 -5.955 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -6.964 1.676 -7.069 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -8.885 -1.042 -4.348 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -8.616 3.435 -6.508 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -10.444 0.773 -3.645 1.00 0.00 H new ATOM 0 HH TYR B 732 -10.957 3.111 -3.959 1.00 0.00 H new ATOM 2134 N ILE B 733 -4.747 -2.225 -8.204 1.00 0.00 N ATOM 2135 CA ILE B 733 -3.850 -3.254 -8.734 1.00 0.00 C ATOM 2136 C ILE B 733 -3.744 -4.516 -7.864 1.00 0.00 C ATOM 2137 O ILE B 733 -3.162 -4.483 -6.779 1.00 0.00 O ATOM 2138 CB ILE B 733 -2.453 -2.638 -8.996 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -2.476 -1.204 -9.580 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -1.628 -3.576 -9.899 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -3.152 -1.042 -10.941 1.00 0.00 C ATOM 0 H ILE B 733 -4.275 -1.532 -7.623 1.00 0.00 H new ATOM 0 HA ILE B 733 -4.291 -3.598 -9.669 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.983 -2.539 -8.018 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -2.980 -0.551 -8.867 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -1.448 -0.851 -9.664 1.00 0.00 H new ATOM 0 HG21 ILE B 733 -0.647 -3.137 -10.079 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -1.509 -4.542 -9.408 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -2.144 -3.713 -10.849 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -3.107 0.003 -11.248 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -2.638 -1.659 -11.678 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -4.194 -1.354 -10.869 1.00 0.00 H new ATOM 2153 N ILE B 734 -4.332 -5.639 -8.274 1.00 0.00 N ATOM 2154 CA ILE B 734 -4.221 -6.888 -7.524 1.00 0.00 C ATOM 2155 C ILE B 734 -2.946 -7.533 -8.074 1.00 0.00 C ATOM 2156 O ILE B 734 -2.842 -7.730 -9.286 1.00 0.00 O ATOM 2157 CB ILE B 734 -5.463 -7.790 -7.691 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -6.750 -7.029 -7.297 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -5.281 -9.059 -6.836 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -8.016 -7.890 -7.244 1.00 0.00 C ATOM 0 H ILE B 734 -4.892 -5.709 -9.124 1.00 0.00 H new ATOM 0 HA ILE B 734 -4.169 -6.723 -6.448 1.00 0.00 H new ATOM 0 HB ILE B 734 -5.566 -8.078 -8.737 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -6.599 -6.570 -6.320 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -6.908 -6.219 -8.009 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -6.154 -9.702 -6.948 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -4.391 -9.595 -7.165 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -5.169 -8.779 -5.789 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -8.866 -7.270 -6.959 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -8.199 -8.329 -8.225 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -7.885 -8.685 -6.510 1.00 0.00 H new ATOM 2172 N ILE B 735 -1.967 -7.835 -7.221 1.00 0.00 N ATOM 2173 CA ILE B 735 -0.706 -8.445 -7.634 1.00 0.00 C ATOM 2174 C ILE B 735 -0.652 -9.862 -7.057 1.00 0.00 C ATOM 2175 O ILE B 735 -0.063 -10.090 -6.007 1.00 0.00 O ATOM 2176 CB ILE B 735 0.484 -7.498 -7.318 1.00 0.00 C ATOM 2177 CG1 ILE B 735 1.827 -8.147 -7.720 1.00 0.00 C ATOM 2178 CG2 ILE B 735 0.531 -6.991 -5.863 1.00 0.00 C ATOM 2179 CD1 ILE B 735 2.986 -7.147 -7.827 1.00 0.00 C ATOM 0 H ILE B 735 -2.028 -7.662 -6.218 1.00 0.00 H new ATOM 0 HA ILE B 735 -0.628 -8.572 -8.714 1.00 0.00 H new ATOM 0 HB ILE B 735 0.315 -6.610 -7.927 1.00 0.00 H new ATOM 0 HG12 ILE B 735 2.085 -8.912 -6.987 1.00 0.00 H new ATOM 0 HG13 ILE B 735 1.704 -8.652 -8.678 1.00 0.00 H new ATOM 0 HG21 ILE B 735 1.393 -6.337 -5.733 1.00 0.00 H new ATOM 0 HG22 ILE B 735 -0.381 -6.437 -5.641 1.00 0.00 H new ATOM 0 HG23 ILE B 735 0.614 -7.840 -5.184 1.00 0.00 H new ATOM 0 HD11 ILE B 735 3.896 -7.674 -8.113 1.00 0.00 H new ATOM 0 HD12 ILE B 735 2.750 -6.396 -8.581 1.00 0.00 H new ATOM 0 HD13 ILE B 735 3.136 -6.660 -6.864 1.00 0.00 H new