USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 GLN : amide:sc= -0.569! C(o=-2.9!,f=-3.2!) USER MOD Set 1.2: A 89 GLN : amide:sc= -2.31! K(o=-2.9!,f=-2.3) USER MOD Set 2.1: A 78 THR OG1 : rot -116:sc= -1.31 USER MOD Set 2.2: A 81 GLN : amide:sc= -1.78 K(o=-3.1,f=-1.6) USER MOD Set 3.1: A 35 SER OG : rot -126:sc= 0.339 USER MOD Set 3.2: A 47 SER OG : rot 173:sc= 0.307 USER MOD Single : A 22 HIS : no HD1:sc= -4.2! C(o=-4.2!,f=-5.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= -0.0661 (180deg=-0.497) USER MOD Single : A 29 SER OG : rot 32:sc= 0.644 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 53 SER OG : rot 132:sc= 0.432 USER MOD Single : A 56 HIS : no HD1:sc= -0.167 K(o=-0.17,f=-0.92) USER MOD Single : A 57 GLN : amide:sc= -0.0468 X(o=-0.047,f=-0.42) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.37) USER MOD Single : A 70 ASN : amide:sc= -4.6! C(o=-4.6!,f=-8.8!) USER MOD Single : A 73 ASN : amide:sc= -0.0388 X(o=-0.039,f=-0.13) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 CYS SG : rot 75:sc= -0.916! USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0397 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -7.65! C(o=-7.6!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -1.723 -8.834 -0.254 1.00 0.00 N ATOM 230 CA VAL A 17 -1.351 -7.491 0.155 1.00 0.00 C ATOM 231 C VAL A 17 -2.410 -6.942 1.113 1.00 0.00 C ATOM 232 O VAL A 17 -3.457 -7.559 1.306 1.00 0.00 O ATOM 233 CB VAL A 17 -1.142 -6.607 -1.076 1.00 0.00 C ATOM 234 CG1 VAL A 17 0.253 -6.813 -1.669 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.226 -6.863 -2.125 1.00 0.00 C ATOM 0 HA VAL A 17 -0.403 -7.505 0.692 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.221 -5.567 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.375 -6.173 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.006 -6.558 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.373 -7.856 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.054 -6.222 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.193 -7.907 -2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.204 -6.642 -1.698 1.00 0.00 H new ATOM 245 N GLU A 18 -2.102 -5.789 1.687 1.00 0.00 N ATOM 246 CA GLU A 18 -3.015 -5.150 2.620 1.00 0.00 C ATOM 247 C GLU A 18 -4.216 -4.568 1.872 1.00 0.00 C ATOM 248 O GLU A 18 -4.098 -3.543 1.203 1.00 0.00 O ATOM 249 CB GLU A 18 -2.300 -4.070 3.434 1.00 0.00 C ATOM 250 CG GLU A 18 -0.891 -4.520 3.825 1.00 0.00 C ATOM 251 CD GLU A 18 -0.682 -4.415 5.337 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.813 -3.283 5.851 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.396 -5.469 5.945 1.00 0.00 O ATOM 0 H GLU A 18 -1.233 -5.280 1.524 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.377 -5.904 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.243 -3.150 2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.876 -3.845 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.731 -5.549 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.153 -3.906 3.309 1.00 0.00 H new ATOM 260 N GLU A 19 -5.345 -5.247 2.011 1.00 0.00 N ATOM 261 CA GLU A 19 -6.567 -4.811 1.357 1.00 0.00 C ATOM 262 C GLU A 19 -6.601 -3.284 1.260 1.00 0.00 C ATOM 263 O GLU A 19 -5.998 -2.593 2.080 1.00 0.00 O ATOM 264 CB GLU A 19 -7.801 -5.340 2.091 1.00 0.00 C ATOM 265 CG GLU A 19 -7.914 -4.728 3.488 1.00 0.00 C ATOM 266 CD GLU A 19 -9.363 -4.359 3.810 1.00 0.00 C ATOM 267 OE1 GLU A 19 -9.882 -3.449 3.128 1.00 0.00 O ATOM 268 OE2 GLU A 19 -9.920 -4.995 4.731 1.00 0.00 O ATOM 0 H GLU A 19 -5.439 -6.097 2.567 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.581 -5.221 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.697 -5.109 1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.744 -6.426 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.542 -5.435 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.286 -3.839 3.551 1.00 0.00 H new ATOM 275 N PRO A 20 -7.330 -2.790 0.224 1.00 0.00 N ATOM 276 CA PRO A 20 -7.450 -1.358 0.009 1.00 0.00 C ATOM 277 C PRO A 20 -8.404 -0.729 1.027 1.00 0.00 C ATOM 278 O PRO A 20 -9.565 -1.124 1.122 1.00 0.00 O ATOM 279 CB PRO A 20 -7.933 -1.215 -1.425 1.00 0.00 C ATOM 280 CG PRO A 20 -8.508 -2.568 -1.808 1.00 0.00 C ATOM 281 CD PRO A 20 -8.058 -3.578 -0.766 1.00 0.00 C ATOM 0 HA PRO A 20 -6.507 -0.830 0.152 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.688 -0.433 -1.507 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.113 -0.937 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.596 -2.522 -1.850 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.163 -2.863 -2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.909 -4.089 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.422 -4.345 -1.207 1.00 0.00 H new ATOM 289 N ARG A 21 -7.879 0.240 1.762 1.00 0.00 N ATOM 290 CA ARG A 21 -8.669 0.928 2.769 1.00 0.00 C ATOM 291 C ARG A 21 -9.124 2.292 2.246 1.00 0.00 C ATOM 292 O ARG A 21 -8.793 2.673 1.125 1.00 0.00 O ATOM 293 CB ARG A 21 -7.868 1.125 4.058 1.00 0.00 C ATOM 294 CG ARG A 21 -6.636 1.997 3.810 1.00 0.00 C ATOM 295 CD ARG A 21 -5.355 1.162 3.852 1.00 0.00 C ATOM 296 NE ARG A 21 -5.118 0.667 5.226 1.00 0.00 N ATOM 297 CZ ARG A 21 -4.308 -0.358 5.526 1.00 0.00 C ATOM 298 NH1 ARG A 21 -3.652 -1.001 4.551 1.00 0.00 N ATOM 299 NH2 ARG A 21 -4.154 -0.738 6.802 1.00 0.00 N ATOM 0 H ARG A 21 -6.916 0.565 1.680 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.540 0.310 2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.500 1.589 4.816 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.559 0.156 4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.723 2.488 2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.586 2.784 4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.436 0.321 3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.508 1.764 3.522 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.601 1.135 5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.769 -0.711 3.580 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.036 -1.781 4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.653 -0.247 7.544 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.538 -1.518 7.031 1.00 0.00 H new ATOM 313 N HIS A 22 -9.877 2.990 3.084 1.00 0.00 N ATOM 314 CA HIS A 22 -10.381 4.303 2.720 1.00 0.00 C ATOM 315 C HIS A 22 -10.072 5.299 3.840 1.00 0.00 C ATOM 316 O HIS A 22 -10.933 5.594 4.668 1.00 0.00 O ATOM 317 CB HIS A 22 -11.871 4.238 2.379 1.00 0.00 C ATOM 318 CG HIS A 22 -12.193 3.348 1.202 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.809 2.020 1.139 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.866 3.609 0.045 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.236 1.515 -0.008 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.891 2.501 -0.686 1.00 0.00 N ATOM 0 H HIS A 22 -10.150 2.671 4.014 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.877 4.653 1.819 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.418 3.881 3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.229 5.246 2.168 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.305 4.557 -0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.091 0.500 -0.347 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.328 2.403 -1.603 1.00 0.00 H new ATOM 330 N VAL A 23 -8.842 5.791 3.829 1.00 0.00 N ATOM 331 CA VAL A 23 -8.409 6.748 4.833 1.00 0.00 C ATOM 332 C VAL A 23 -9.082 8.096 4.570 1.00 0.00 C ATOM 333 O VAL A 23 -8.894 8.692 3.510 1.00 0.00 O ATOM 334 CB VAL A 23 -6.882 6.835 4.849 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.407 7.966 5.763 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.261 5.499 5.261 1.00 0.00 C ATOM 0 H VAL A 23 -8.131 5.545 3.140 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.713 6.422 5.828 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.549 7.061 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.318 8.006 5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.807 8.915 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.757 7.784 6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.175 5.588 5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.606 5.230 6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.559 4.725 4.553 1.00 0.00 H new ATOM 346 N LYS A 24 -9.853 8.539 5.552 1.00 0.00 N ATOM 347 CA LYS A 24 -10.555 9.806 5.440 1.00 0.00 C ATOM 348 C LYS A 24 -9.599 10.947 5.795 1.00 0.00 C ATOM 349 O LYS A 24 -8.660 10.758 6.567 1.00 0.00 O ATOM 350 CB LYS A 24 -11.831 9.788 6.284 1.00 0.00 C ATOM 351 CG LYS A 24 -13.070 9.991 5.410 1.00 0.00 C ATOM 352 CD LYS A 24 -14.099 10.878 6.114 1.00 0.00 C ATOM 353 CE LYS A 24 -15.246 10.041 6.682 1.00 0.00 C ATOM 354 NZ LYS A 24 -14.838 9.393 7.948 1.00 0.00 N ATOM 0 H LYS A 24 -10.007 8.043 6.430 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.882 9.971 4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.907 8.839 6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.782 10.572 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.780 10.446 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.517 9.025 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.616 11.433 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.493 11.612 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.116 10.675 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.544 9.283 5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.629 8.829 8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.022 8.772 7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.576 10.122 8.642 1.00 0.00 H new ATOM 368 N VAL A 25 -9.871 12.106 5.213 1.00 0.00 N ATOM 369 CA VAL A 25 -9.046 13.277 5.458 1.00 0.00 C ATOM 370 C VAL A 25 -9.948 14.476 5.761 1.00 0.00 C ATOM 371 O VAL A 25 -10.920 14.721 5.048 1.00 0.00 O ATOM 372 CB VAL A 25 -8.112 13.517 4.271 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.027 14.536 4.624 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.494 12.204 3.786 1.00 0.00 C ATOM 0 H VAL A 25 -10.650 12.259 4.573 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.409 13.120 6.329 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.706 13.929 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.377 14.688 3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.492 15.483 4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.438 14.164 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.834 12.403 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.921 11.751 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.286 11.522 3.475 1.00 0.00 H new ATOM 384 N GLN A 26 -9.593 15.191 6.818 1.00 0.00 N ATOM 385 CA GLN A 26 -10.358 16.358 7.223 1.00 0.00 C ATOM 386 C GLN A 26 -9.597 17.639 6.875 1.00 0.00 C ATOM 387 O GLN A 26 -9.045 18.296 7.757 1.00 0.00 O ATOM 388 CB GLN A 26 -10.689 16.305 8.716 1.00 0.00 C ATOM 389 CG GLN A 26 -12.188 16.099 8.938 1.00 0.00 C ATOM 390 CD GLN A 26 -12.653 16.794 10.220 1.00 0.00 C ATOM 391 OE1 GLN A 26 -12.416 17.970 10.441 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.327 16.002 11.050 1.00 0.00 N ATOM 0 H GLN A 26 -8.786 14.985 7.406 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.300 16.359 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.133 15.494 9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.370 17.230 9.196 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.743 16.491 8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.407 15.033 8.998 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.491 15.026 10.803 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.680 16.371 11.933 1.00 0.00 H new ATOM 401 N LYS A 27 -9.591 17.955 5.589 1.00 0.00 N ATOM 402 CA LYS A 27 -8.907 19.145 5.113 1.00 0.00 C ATOM 403 C LYS A 27 -9.509 20.379 5.789 1.00 0.00 C ATOM 404 O LYS A 27 -8.929 20.922 6.727 1.00 0.00 O ATOM 405 CB LYS A 27 -8.936 19.206 3.585 1.00 0.00 C ATOM 406 CG LYS A 27 -8.391 17.913 2.974 1.00 0.00 C ATOM 407 CD LYS A 27 -6.899 18.041 2.661 1.00 0.00 C ATOM 408 CE LYS A 27 -6.626 17.778 1.178 1.00 0.00 C ATOM 409 NZ LYS A 27 -5.722 18.812 0.626 1.00 0.00 N ATOM 0 H LYS A 27 -10.049 17.407 4.861 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.853 19.113 5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.958 19.371 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.344 20.053 3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.552 17.085 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.939 17.679 2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.552 19.040 2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.334 17.335 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.179 16.792 1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.565 17.774 0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.131 18.394 -0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.286 19.589 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.113 19.181 1.384 1.00 0.00 H new ATOM 423 N GLY A 28 -10.666 20.784 5.286 1.00 0.00 N ATOM 424 CA GLY A 28 -11.353 21.944 5.829 1.00 0.00 C ATOM 425 C GLY A 28 -10.920 23.224 5.111 1.00 0.00 C ATOM 426 O GLY A 28 -11.760 23.989 4.640 1.00 0.00 O ATOM 0 H GLY A 28 -11.145 20.330 4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.430 21.813 5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.141 22.031 6.895 1.00 0.00 H new ATOM 430 N SER A 29 -9.611 23.416 5.050 1.00 0.00 N ATOM 431 CA SER A 29 -9.057 24.590 4.397 1.00 0.00 C ATOM 432 C SER A 29 -7.528 24.534 4.428 1.00 0.00 C ATOM 433 O SER A 29 -6.869 25.561 4.580 1.00 0.00 O ATOM 434 CB SER A 29 -9.555 25.876 5.061 1.00 0.00 C ATOM 435 OG SER A 29 -9.410 25.835 6.478 1.00 0.00 O ATOM 0 H SER A 29 -8.918 22.779 5.442 1.00 0.00 H new ATOM 0 HA SER A 29 -9.393 24.595 3.360 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.001 26.727 4.664 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.604 26.032 4.808 1.00 0.00 H new ATOM 0 HG SER A 29 -8.625 25.297 6.711 1.00 0.00 H new ATOM 441 N GLU A 30 -7.010 23.324 4.283 1.00 0.00 N ATOM 442 CA GLU A 30 -5.571 23.120 4.292 1.00 0.00 C ATOM 443 C GLU A 30 -5.183 22.026 3.295 1.00 0.00 C ATOM 444 O GLU A 30 -5.999 21.169 2.961 1.00 0.00 O ATOM 445 CB GLU A 30 -5.075 22.781 5.699 1.00 0.00 C ATOM 446 CG GLU A 30 -4.964 24.041 6.560 1.00 0.00 C ATOM 447 CD GLU A 30 -5.949 23.995 7.729 1.00 0.00 C ATOM 448 OE1 GLU A 30 -7.137 24.298 7.483 1.00 0.00 O ATOM 449 OE2 GLU A 30 -5.493 23.657 8.843 1.00 0.00 O ATOM 0 H GLU A 30 -7.561 22.474 4.159 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.090 24.049 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.759 22.074 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.103 22.291 5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.947 24.137 6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.160 24.922 5.949 1.00 0.00 H new ATOM 456 N PRO A 31 -3.905 22.094 2.836 1.00 0.00 N ATOM 457 CA PRO A 31 -3.399 21.120 1.884 1.00 0.00 C ATOM 458 C PRO A 31 -3.119 19.779 2.568 1.00 0.00 C ATOM 459 O PRO A 31 -3.268 19.655 3.782 1.00 0.00 O ATOM 460 CB PRO A 31 -2.151 21.757 1.295 1.00 0.00 C ATOM 461 CG PRO A 31 -1.745 22.854 2.266 1.00 0.00 C ATOM 462 CD PRO A 31 -2.911 23.096 3.210 1.00 0.00 C ATOM 0 HA PRO A 31 -4.119 20.885 1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.354 21.022 1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.352 22.166 0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.856 22.560 2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.494 23.768 1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.608 22.984 4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.306 24.106 3.100 1.00 0.00 H new ATOM 470 N LEU A 32 -2.719 18.811 1.757 1.00 0.00 N ATOM 471 CA LEU A 32 -2.418 17.484 2.269 1.00 0.00 C ATOM 472 C LEU A 32 -1.023 17.490 2.897 1.00 0.00 C ATOM 473 O LEU A 32 -0.860 17.118 4.059 1.00 0.00 O ATOM 474 CB LEU A 32 -2.593 16.434 1.170 1.00 0.00 C ATOM 475 CG LEU A 32 -2.819 14.997 1.645 1.00 0.00 C ATOM 476 CD1 LEU A 32 -3.974 14.926 2.646 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.029 14.054 0.459 1.00 0.00 C ATOM 0 H LEU A 32 -2.596 18.918 0.750 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.121 17.210 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.438 16.727 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.707 16.451 0.535 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.921 14.664 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.114 13.894 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.744 15.548 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.888 15.285 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.187 13.039 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.901 14.375 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.148 14.075 -0.183 1.00 0.00 H new ATOM 489 N GLY A 33 -0.052 17.915 2.102 1.00 0.00 N ATOM 490 CA GLY A 33 1.324 17.974 2.567 1.00 0.00 C ATOM 491 C GLY A 33 1.970 16.587 2.544 1.00 0.00 C ATOM 492 O GLY A 33 2.327 16.048 3.590 1.00 0.00 O ATOM 0 H GLY A 33 -0.190 18.222 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.896 18.656 1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.353 18.376 3.580 1.00 0.00 H new ATOM 496 N ILE A 34 2.100 16.049 1.340 1.00 0.00 N ATOM 497 CA ILE A 34 2.696 14.736 1.168 1.00 0.00 C ATOM 498 C ILE A 34 3.361 14.659 -0.208 1.00 0.00 C ATOM 499 O ILE A 34 2.856 15.222 -1.178 1.00 0.00 O ATOM 500 CB ILE A 34 1.657 13.639 1.411 1.00 0.00 C ATOM 501 CG1 ILE A 34 0.470 13.788 0.457 1.00 0.00 C ATOM 502 CG2 ILE A 34 1.216 13.617 2.876 1.00 0.00 C ATOM 503 CD1 ILE A 34 0.282 12.525 -0.385 1.00 0.00 C ATOM 0 H ILE A 34 1.803 16.499 0.474 1.00 0.00 H new ATOM 0 HA ILE A 34 3.477 14.572 1.910 1.00 0.00 H new ATOM 0 HB ILE A 34 2.121 12.675 1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.437 13.987 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.630 14.645 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.478 12.829 3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.080 13.428 3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.776 14.579 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.568 12.657 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.182 12.342 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.098 11.674 0.271 1.00 0.00 H new ATOM 515 N SER A 35 4.484 13.957 -0.249 1.00 0.00 N ATOM 516 CA SER A 35 5.223 13.799 -1.490 1.00 0.00 C ATOM 517 C SER A 35 4.756 12.539 -2.220 1.00 0.00 C ATOM 518 O SER A 35 4.461 11.525 -1.589 1.00 0.00 O ATOM 519 CB SER A 35 6.729 13.735 -1.229 1.00 0.00 C ATOM 520 OG SER A 35 7.487 14.001 -2.407 1.00 0.00 O ATOM 0 H SER A 35 4.900 13.491 0.557 1.00 0.00 H new ATOM 0 HA SER A 35 5.027 14.668 -2.118 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.994 14.457 -0.457 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.989 12.748 -0.846 1.00 0.00 H new ATOM 0 HG SER A 35 8.124 13.272 -2.558 1.00 0.00 H new ATOM 526 N ILE A 36 4.704 12.643 -3.540 1.00 0.00 N ATOM 527 CA ILE A 36 4.277 11.524 -4.363 1.00 0.00 C ATOM 528 C ILE A 36 5.169 11.441 -5.604 1.00 0.00 C ATOM 529 O ILE A 36 5.679 12.456 -6.075 1.00 0.00 O ATOM 530 CB ILE A 36 2.785 11.633 -4.684 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.489 12.896 -5.494 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.944 11.559 -3.408 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.565 12.615 -6.996 1.00 0.00 C ATOM 0 H ILE A 36 4.951 13.485 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 36 4.394 10.585 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 36 2.505 10.781 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.497 13.271 -5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.202 13.677 -5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.887 11.639 -3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.125 10.608 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.219 12.377 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.350 13.530 -7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.565 12.264 -7.250 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.834 11.851 -7.261 1.00 0.00 H new ATOM 545 N VAL A 37 5.328 10.222 -6.098 1.00 0.00 N ATOM 546 CA VAL A 37 6.149 9.993 -7.275 1.00 0.00 C ATOM 547 C VAL A 37 5.409 9.059 -8.234 1.00 0.00 C ATOM 548 O VAL A 37 4.630 8.210 -7.801 1.00 0.00 O ATOM 549 CB VAL A 37 7.522 9.460 -6.860 1.00 0.00 C ATOM 550 CG1 VAL A 37 8.099 10.274 -5.701 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.447 7.974 -6.503 1.00 0.00 C ATOM 0 H VAL A 37 4.902 9.383 -5.705 1.00 0.00 H new ATOM 0 HA VAL A 37 6.326 10.929 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 37 8.195 9.567 -7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.075 9.874 -5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.206 11.315 -6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.428 10.214 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.436 7.619 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.752 7.833 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.099 7.409 -7.368 1.00 0.00 H new ATOM 561 N SER A 38 5.677 9.246 -9.518 1.00 0.00 N ATOM 562 CA SER A 38 5.046 8.430 -10.541 1.00 0.00 C ATOM 563 C SER A 38 5.985 7.298 -10.960 1.00 0.00 C ATOM 564 O SER A 38 7.204 7.457 -10.939 1.00 0.00 O ATOM 565 CB SER A 38 4.657 9.275 -11.757 1.00 0.00 C ATOM 566 OG SER A 38 4.104 8.481 -12.803 1.00 0.00 O ATOM 0 H SER A 38 6.323 9.951 -9.873 1.00 0.00 H new ATOM 0 HA SER A 38 4.135 8.002 -10.123 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.934 10.033 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.536 9.803 -12.128 1.00 0.00 H new ATOM 0 HG SER A 38 3.867 9.056 -13.560 1.00 0.00 H new ATOM 572 N GLY A 39 5.381 6.178 -11.331 1.00 0.00 N ATOM 573 CA GLY A 39 6.148 5.019 -11.754 1.00 0.00 C ATOM 574 C GLY A 39 6.424 5.063 -13.258 1.00 0.00 C ATOM 575 O GLY A 39 6.517 4.022 -13.907 1.00 0.00 O ATOM 0 H GLY A 39 4.369 6.049 -11.347 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.091 4.984 -11.209 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.603 4.108 -11.507 1.00 0.00 H new ATOM 623 N GLY A 43 0.335 4.950 -11.740 1.00 0.00 N ATOM 624 CA GLY A 43 0.336 4.700 -10.309 1.00 0.00 C ATOM 625 C GLY A 43 1.108 5.790 -9.563 1.00 0.00 C ATOM 626 O GLY A 43 2.067 6.350 -10.092 1.00 0.00 O ATOM 0 HA2 GLY A 43 -0.690 4.660 -9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.785 3.728 -10.106 1.00 0.00 H new ATOM 630 N ILE A 44 0.662 6.059 -8.344 1.00 0.00 N ATOM 631 CA ILE A 44 1.299 7.071 -7.520 1.00 0.00 C ATOM 632 C ILE A 44 1.722 6.448 -6.189 1.00 0.00 C ATOM 633 O ILE A 44 0.959 5.698 -5.580 1.00 0.00 O ATOM 634 CB ILE A 44 0.386 8.290 -7.366 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.121 8.951 -8.720 1.00 0.00 C ATOM 636 CG2 ILE A 44 0.958 9.278 -6.348 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.319 9.794 -9.163 1.00 0.00 C ATOM 0 H ILE A 44 -0.133 5.593 -7.908 1.00 0.00 H new ATOM 0 HA ILE A 44 2.205 7.439 -8.002 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.575 7.950 -6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.086 8.186 -9.468 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.766 9.580 -8.654 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.290 10.135 -6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.053 8.788 -5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.939 9.616 -6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.104 10.253 -10.128 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.508 10.574 -8.425 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.199 9.157 -9.252 1.00 0.00 H new ATOM 649 N TYR A 45 2.936 6.780 -5.775 1.00 0.00 N ATOM 650 CA TYR A 45 3.469 6.261 -4.526 1.00 0.00 C ATOM 651 C TYR A 45 3.975 7.396 -3.633 1.00 0.00 C ATOM 652 O TYR A 45 4.607 8.335 -4.114 1.00 0.00 O ATOM 653 CB TYR A 45 4.649 5.366 -4.911 1.00 0.00 C ATOM 654 CG TYR A 45 4.322 4.338 -5.995 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.363 4.702 -7.326 1.00 0.00 C ATOM 656 CD2 TYR A 45 3.985 3.047 -5.643 1.00 0.00 C ATOM 657 CE1 TYR A 45 4.056 3.734 -8.347 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.678 2.079 -6.664 1.00 0.00 C ATOM 659 CZ TYR A 45 3.728 2.470 -7.966 1.00 0.00 C ATOM 660 OH TYR A 45 3.438 1.556 -8.930 1.00 0.00 O ATOM 0 H TYR A 45 3.566 7.402 -6.282 1.00 0.00 H new ATOM 0 HA TYR A 45 2.699 5.723 -3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.471 5.994 -5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.000 4.842 -4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.625 5.713 -7.602 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.951 2.763 -4.602 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.086 4.005 -9.392 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.414 1.065 -6.402 1.00 0.00 H new ATOM 0 HH TYR A 45 3.223 0.696 -8.512 1.00 0.00 H new ATOM 670 N VAL A 46 3.678 7.271 -2.348 1.00 0.00 N ATOM 671 CA VAL A 46 4.095 8.275 -1.383 1.00 0.00 C ATOM 672 C VAL A 46 5.623 8.322 -1.331 1.00 0.00 C ATOM 673 O VAL A 46 6.277 7.286 -1.221 1.00 0.00 O ATOM 674 CB VAL A 46 3.459 7.987 -0.021 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.971 8.963 1.040 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.932 8.025 -0.110 1.00 0.00 C ATOM 0 H VAL A 46 3.154 6.490 -1.952 1.00 0.00 H new ATOM 0 HA VAL A 46 3.749 9.263 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 46 3.752 6.981 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.504 8.737 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.053 8.866 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.722 9.983 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.505 7.817 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.611 9.012 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.590 7.273 -0.821 1.00 0.00 H new ATOM 686 N SER A 47 6.149 9.535 -1.413 1.00 0.00 N ATOM 687 CA SER A 47 7.588 9.732 -1.377 1.00 0.00 C ATOM 688 C SER A 47 7.993 10.397 -0.060 1.00 0.00 C ATOM 689 O SER A 47 9.164 10.378 0.315 1.00 0.00 O ATOM 690 CB SER A 47 8.059 10.574 -2.564 1.00 0.00 C ATOM 691 OG SER A 47 9.108 11.468 -2.201 1.00 0.00 O ATOM 0 H SER A 47 5.604 10.392 -1.504 1.00 0.00 H new ATOM 0 HA SER A 47 8.068 8.756 -1.446 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.403 9.916 -3.362 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.219 11.143 -2.961 1.00 0.00 H new ATOM 0 HG SER A 47 9.458 11.905 -3.005 1.00 0.00 H new ATOM 697 N LYS A 48 7.001 10.969 0.606 1.00 0.00 N ATOM 698 CA LYS A 48 7.238 11.639 1.873 1.00 0.00 C ATOM 699 C LYS A 48 5.913 12.176 2.418 1.00 0.00 C ATOM 700 O LYS A 48 4.926 12.259 1.689 1.00 0.00 O ATOM 701 CB LYS A 48 8.319 12.712 1.718 1.00 0.00 C ATOM 702 CG LYS A 48 9.228 12.756 2.948 1.00 0.00 C ATOM 703 CD LYS A 48 10.699 12.858 2.539 1.00 0.00 C ATOM 704 CE LYS A 48 11.522 13.558 3.622 1.00 0.00 C ATOM 705 NZ LYS A 48 11.776 14.968 3.250 1.00 0.00 N ATOM 0 H LYS A 48 6.031 10.982 0.292 1.00 0.00 H new ATOM 0 HA LYS A 48 7.624 10.934 2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.915 12.507 0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.852 13.686 1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.960 13.609 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.075 11.860 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.100 11.861 2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.782 13.408 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.992 13.517 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.469 13.036 3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.336 15.428 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.301 15.001 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.870 15.467 3.140 1.00 0.00 H new ATOM 719 N VAL A 49 5.934 12.525 3.696 1.00 0.00 N ATOM 720 CA VAL A 49 4.746 13.051 4.347 1.00 0.00 C ATOM 721 C VAL A 49 5.130 14.267 5.193 1.00 0.00 C ATOM 722 O VAL A 49 6.278 14.397 5.615 1.00 0.00 O ATOM 723 CB VAL A 49 4.063 11.949 5.160 1.00 0.00 C ATOM 724 CG1 VAL A 49 3.488 12.506 6.464 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.979 11.253 4.335 1.00 0.00 C ATOM 0 H VAL A 49 6.754 12.454 4.298 1.00 0.00 H new ATOM 0 HA VAL A 49 4.021 13.386 3.605 1.00 0.00 H new ATOM 0 HB VAL A 49 4.817 11.205 5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.008 11.702 7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.292 12.934 7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.754 13.279 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.509 10.474 4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.227 11.982 4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.428 10.806 3.448 1.00 0.00 H new ATOM 735 N THR A 50 4.147 15.127 5.417 1.00 0.00 N ATOM 736 CA THR A 50 4.367 16.327 6.205 1.00 0.00 C ATOM 737 C THR A 50 3.771 16.163 7.604 1.00 0.00 C ATOM 738 O THR A 50 2.572 15.931 7.749 1.00 0.00 O ATOM 739 CB THR A 50 3.786 17.513 5.432 1.00 0.00 C ATOM 740 OG1 THR A 50 4.511 17.517 4.205 1.00 0.00 O ATOM 741 CG2 THR A 50 4.134 18.858 6.074 1.00 0.00 C ATOM 0 H THR A 50 3.196 15.016 5.066 1.00 0.00 H new ATOM 0 HA THR A 50 5.430 16.510 6.359 1.00 0.00 H new ATOM 0 HB THR A 50 2.703 17.410 5.370 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.196 18.254 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.698 19.666 5.486 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.736 18.891 7.088 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.217 18.977 6.106 1.00 0.00 H new ATOM 749 N VAL A 51 4.636 16.291 8.600 1.00 0.00 N ATOM 750 CA VAL A 51 4.210 16.160 9.983 1.00 0.00 C ATOM 751 C VAL A 51 3.344 17.363 10.362 1.00 0.00 C ATOM 752 O VAL A 51 3.723 18.507 10.115 1.00 0.00 O ATOM 753 CB VAL A 51 5.429 15.990 10.892 1.00 0.00 C ATOM 754 CG1 VAL A 51 5.031 16.092 12.366 1.00 0.00 C ATOM 755 CG2 VAL A 51 6.145 14.669 10.607 1.00 0.00 C ATOM 0 H VAL A 51 5.630 16.484 8.476 1.00 0.00 H new ATOM 0 HA VAL A 51 3.599 15.267 10.111 1.00 0.00 H new ATOM 0 HB VAL A 51 6.125 16.801 10.676 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.915 15.968 12.991 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.587 17.069 12.556 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.307 15.312 12.602 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.008 14.573 11.266 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.460 13.839 10.782 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.478 14.652 9.569 1.00 0.00 H new ATOM 765 N GLY A 52 2.198 17.064 10.955 1.00 0.00 N ATOM 766 CA GLY A 52 1.276 18.107 11.371 1.00 0.00 C ATOM 767 C GLY A 52 0.315 18.473 10.238 1.00 0.00 C ATOM 768 O GLY A 52 -0.766 19.005 10.483 1.00 0.00 O ATOM 0 H GLY A 52 1.887 16.114 11.157 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.709 17.771 12.239 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.835 18.991 11.678 1.00 0.00 H new ATOM 772 N SER A 53 0.744 18.172 9.021 1.00 0.00 N ATOM 773 CA SER A 53 -0.065 18.462 7.849 1.00 0.00 C ATOM 774 C SER A 53 -1.307 17.568 7.836 1.00 0.00 C ATOM 775 O SER A 53 -1.336 16.531 8.496 1.00 0.00 O ATOM 776 CB SER A 53 0.741 18.270 6.562 1.00 0.00 C ATOM 777 OG SER A 53 0.543 16.977 5.997 1.00 0.00 O ATOM 0 H SER A 53 1.641 17.730 8.821 1.00 0.00 H new ATOM 0 HA SER A 53 -0.377 19.505 7.898 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.453 19.031 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.801 18.415 6.772 1.00 0.00 H new ATOM 0 HG SER A 53 0.348 17.064 5.041 1.00 0.00 H new ATOM 783 N ILE A 54 -2.302 18.004 7.078 1.00 0.00 N ATOM 784 CA ILE A 54 -3.544 17.257 6.971 1.00 0.00 C ATOM 785 C ILE A 54 -3.229 15.762 6.887 1.00 0.00 C ATOM 786 O ILE A 54 -3.711 14.976 7.701 1.00 0.00 O ATOM 787 CB ILE A 54 -4.382 17.775 5.801 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.772 19.240 6.012 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.604 16.885 5.564 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.713 19.389 7.209 1.00 0.00 C ATOM 0 H ILE A 54 -2.274 18.865 6.532 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.155 17.405 7.861 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.772 17.731 4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.876 19.839 6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.256 19.624 5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.182 17.276 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.277 15.871 5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.225 16.874 6.460 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.975 20.439 7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.618 18.808 7.035 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.217 19.026 8.109 1.00 0.00 H new ATOM 802 N ALA A 55 -2.421 15.415 5.896 1.00 0.00 N ATOM 803 CA ALA A 55 -2.036 14.028 5.695 1.00 0.00 C ATOM 804 C ALA A 55 -1.765 13.377 7.053 1.00 0.00 C ATOM 805 O ALA A 55 -2.504 12.491 7.479 1.00 0.00 O ATOM 806 CB ALA A 55 -0.822 13.965 4.765 1.00 0.00 C ATOM 0 H ALA A 55 -2.022 16.070 5.224 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.842 13.471 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.533 12.925 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.076 14.414 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.008 14.511 5.213 1.00 0.00 H new ATOM 812 N HIS A 56 -0.703 13.841 7.694 1.00 0.00 N ATOM 813 CA HIS A 56 -0.325 13.315 8.995 1.00 0.00 C ATOM 814 C HIS A 56 -1.583 13.043 9.823 1.00 0.00 C ATOM 815 O HIS A 56 -1.732 11.964 10.395 1.00 0.00 O ATOM 816 CB HIS A 56 0.656 14.255 9.698 1.00 0.00 C ATOM 817 CG HIS A 56 1.289 13.668 10.937 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.017 14.136 12.211 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.182 12.648 11.083 1.00 0.00 C ATOM 820 CE1 HIS A 56 1.721 13.422 13.077 1.00 0.00 C ATOM 821 NE2 HIS A 56 2.442 12.501 12.376 1.00 0.00 N ATOM 0 H HIS A 56 -0.092 14.576 7.337 1.00 0.00 H new ATOM 0 HA HIS A 56 0.198 12.367 8.870 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.443 14.532 8.997 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.133 15.172 9.969 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.606 12.060 10.282 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.723 13.547 14.150 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.077 11.812 12.779 1.00 0.00 H new ATOM 829 N GLN A 57 -2.454 14.040 9.862 1.00 0.00 N ATOM 830 CA GLN A 57 -3.694 13.922 10.611 1.00 0.00 C ATOM 831 C GLN A 57 -4.454 12.665 10.183 1.00 0.00 C ATOM 832 O GLN A 57 -4.901 11.888 11.026 1.00 0.00 O ATOM 833 CB GLN A 57 -4.560 15.171 10.439 1.00 0.00 C ATOM 834 CG GLN A 57 -3.718 16.443 10.562 1.00 0.00 C ATOM 835 CD GLN A 57 -4.589 17.644 10.935 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.611 17.915 10.326 1.00 0.00 O ATOM 837 NE2 GLN A 57 -4.130 18.346 11.967 1.00 0.00 N ATOM 0 H GLN A 57 -2.326 14.934 9.387 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.449 13.833 11.669 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.049 15.147 9.465 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.348 15.178 11.192 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.946 16.300 11.318 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.208 16.638 9.619 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.267 18.064 12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.641 19.166 12.293 1.00 0.00 H new ATOM 846 N ALA A 58 -4.578 12.503 8.874 1.00 0.00 N ATOM 847 CA ALA A 58 -5.277 11.354 8.325 1.00 0.00 C ATOM 848 C ALA A 58 -4.545 10.074 8.734 1.00 0.00 C ATOM 849 O ALA A 58 -5.176 9.052 9.000 1.00 0.00 O ATOM 850 CB ALA A 58 -5.388 11.502 6.806 1.00 0.00 C ATOM 0 H ALA A 58 -4.206 13.149 8.177 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.290 11.296 8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.912 10.640 6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.941 12.411 6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.390 11.561 6.372 1.00 0.00 H new ATOM 856 N GLY A 59 -3.224 10.172 8.772 1.00 0.00 N ATOM 857 CA GLY A 59 -2.400 9.035 9.144 1.00 0.00 C ATOM 858 C GLY A 59 -1.823 8.347 7.905 1.00 0.00 C ATOM 859 O GLY A 59 -1.948 7.133 7.750 1.00 0.00 O ATOM 0 H GLY A 59 -2.704 11.021 8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.588 9.366 9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.994 8.323 9.716 1.00 0.00 H new ATOM 863 N LEU A 60 -1.203 9.152 7.055 1.00 0.00 N ATOM 864 CA LEU A 60 -0.607 8.636 5.835 1.00 0.00 C ATOM 865 C LEU A 60 0.829 8.191 6.122 1.00 0.00 C ATOM 866 O LEU A 60 1.437 8.635 7.095 1.00 0.00 O ATOM 867 CB LEU A 60 -0.718 9.664 4.707 1.00 0.00 C ATOM 868 CG LEU A 60 -2.025 9.648 3.912 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.090 10.828 2.941 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.217 8.308 3.199 1.00 0.00 C ATOM 0 H LEU A 60 -1.101 10.158 7.187 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.151 7.757 5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.588 10.658 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.108 9.504 4.014 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.852 9.761 4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.029 10.793 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.032 11.762 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.255 10.771 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.153 8.323 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.388 8.140 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.246 7.505 3.935 1.00 0.00 H new ATOM 882 N GLU A 61 1.329 7.321 5.258 1.00 0.00 N ATOM 883 CA GLU A 61 2.682 6.812 5.407 1.00 0.00 C ATOM 884 C GLU A 61 3.333 6.625 4.035 1.00 0.00 C ATOM 885 O GLU A 61 2.640 6.514 3.025 1.00 0.00 O ATOM 886 CB GLU A 61 2.691 5.504 6.201 1.00 0.00 C ATOM 887 CG GLU A 61 1.882 4.421 5.484 1.00 0.00 C ATOM 888 CD GLU A 61 0.610 4.081 6.263 1.00 0.00 C ATOM 889 OE1 GLU A 61 0.750 3.751 7.460 1.00 0.00 O ATOM 890 OE2 GLU A 61 -0.473 4.160 5.644 1.00 0.00 O ATOM 0 H GLU A 61 0.822 6.955 4.452 1.00 0.00 H new ATOM 0 HA GLU A 61 3.265 7.543 5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.718 5.165 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.276 5.675 7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.619 4.761 4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.491 3.525 5.366 1.00 0.00 H new ATOM 897 N TYR A 62 4.658 6.596 4.043 1.00 0.00 N ATOM 898 CA TYR A 62 5.410 6.425 2.811 1.00 0.00 C ATOM 899 C TYR A 62 5.434 4.956 2.383 1.00 0.00 C ATOM 900 O TYR A 62 5.260 4.062 3.210 1.00 0.00 O ATOM 901 CB TYR A 62 6.838 6.876 3.123 1.00 0.00 C ATOM 902 CG TYR A 62 7.849 6.545 2.024 1.00 0.00 C ATOM 903 CD1 TYR A 62 8.209 5.234 1.790 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.402 7.558 1.267 1.00 0.00 C ATOM 905 CE1 TYR A 62 9.161 4.922 0.755 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.354 7.246 0.232 1.00 0.00 C ATOM 907 CZ TYR A 62 9.686 5.944 0.027 1.00 0.00 C ATOM 908 OH TYR A 62 10.585 5.649 -0.950 1.00 0.00 O ATOM 0 H TYR A 62 5.230 6.688 4.883 1.00 0.00 H new ATOM 0 HA TYR A 62 4.958 6.999 2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.839 7.953 3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.161 6.408 4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.777 4.441 2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.121 8.584 1.451 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.451 3.900 0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.794 8.029 -0.368 1.00 0.00 H new ATOM 0 HH TYR A 62 10.875 6.476 -1.388 1.00 0.00 H new ATOM 918 N GLY A 63 5.650 4.753 1.092 1.00 0.00 N ATOM 919 CA GLY A 63 5.698 3.408 0.544 1.00 0.00 C ATOM 920 C GLY A 63 4.307 2.941 0.112 1.00 0.00 C ATOM 921 O GLY A 63 4.171 2.193 -0.855 1.00 0.00 O ATOM 0 H GLY A 63 5.794 5.497 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.375 3.384 -0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.100 2.722 1.289 1.00 0.00 H new ATOM 925 N ASP A 64 3.307 3.402 0.850 1.00 0.00 N ATOM 926 CA ASP A 64 1.931 3.041 0.556 1.00 0.00 C ATOM 927 C ASP A 64 1.586 3.483 -0.868 1.00 0.00 C ATOM 928 O ASP A 64 2.068 4.513 -1.336 1.00 0.00 O ATOM 929 CB ASP A 64 0.962 3.736 1.515 1.00 0.00 C ATOM 930 CG ASP A 64 0.411 2.848 2.633 1.00 0.00 C ATOM 931 OD1 ASP A 64 1.141 2.676 3.632 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.728 2.362 2.462 1.00 0.00 O ATOM 0 H ASP A 64 3.423 4.023 1.651 1.00 0.00 H new ATOM 0 HA ASP A 64 1.834 1.961 0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.469 4.589 1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.125 4.131 0.939 1.00 0.00 H new ATOM 937 N GLN A 65 0.753 2.682 -1.516 1.00 0.00 N ATOM 938 CA GLN A 65 0.338 2.977 -2.877 1.00 0.00 C ATOM 939 C GLN A 65 -1.105 3.485 -2.893 1.00 0.00 C ATOM 940 O GLN A 65 -1.980 2.900 -2.256 1.00 0.00 O ATOM 941 CB GLN A 65 0.498 1.751 -3.778 1.00 0.00 C ATOM 942 CG GLN A 65 0.562 2.158 -5.251 1.00 0.00 C ATOM 943 CD GLN A 65 -0.179 1.149 -6.131 1.00 0.00 C ATOM 944 OE1 GLN A 65 -0.239 -0.036 -5.847 1.00 0.00 O ATOM 945 NE2 GLN A 65 -0.739 1.684 -7.213 1.00 0.00 N ATOM 0 H GLN A 65 0.354 1.829 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 65 0.984 3.762 -3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.405 1.212 -3.506 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.337 1.069 -3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.123 3.148 -5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.603 2.227 -5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.651 2.684 -7.391 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.257 1.094 -7.864 1.00 0.00 H new ATOM 954 N LEU A 66 -1.309 4.569 -3.627 1.00 0.00 N ATOM 955 CA LEU A 66 -2.631 5.162 -3.734 1.00 0.00 C ATOM 956 C LEU A 66 -3.282 4.715 -5.045 1.00 0.00 C ATOM 957 O LEU A 66 -2.781 5.020 -6.126 1.00 0.00 O ATOM 958 CB LEU A 66 -2.551 6.682 -3.575 1.00 0.00 C ATOM 959 CG LEU A 66 -1.730 7.189 -2.388 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.448 8.687 -2.517 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.413 6.847 -1.062 1.00 0.00 C ATOM 0 H LEU A 66 -0.581 5.052 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.271 4.813 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.130 7.101 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.565 7.072 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.767 6.678 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.863 9.022 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.889 8.874 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.391 9.233 -2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.808 7.219 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.398 7.313 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.520 5.766 -0.976 1.00 0.00 H new ATOM 973 N LEU A 67 -4.388 3.999 -4.905 1.00 0.00 N ATOM 974 CA LEU A 67 -5.112 3.507 -6.065 1.00 0.00 C ATOM 975 C LEU A 67 -6.119 4.565 -6.519 1.00 0.00 C ATOM 976 O LEU A 67 -6.245 4.836 -7.712 1.00 0.00 O ATOM 977 CB LEU A 67 -5.743 2.146 -5.764 1.00 0.00 C ATOM 978 CG LEU A 67 -4.842 1.129 -5.060 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.669 0.004 -4.435 1.00 0.00 C ATOM 980 CD2 LEU A 67 -3.772 0.593 -6.013 1.00 0.00 C ATOM 0 H LEU A 67 -4.800 3.748 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.429 3.339 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.627 2.306 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.084 1.710 -6.703 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.324 1.637 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.004 -0.705 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.360 0.423 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.233 -0.509 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.145 -0.128 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.252 0.106 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.156 1.418 -6.369 1.00 0.00 H new ATOM 992 N GLU A 68 -6.811 5.135 -5.543 1.00 0.00 N ATOM 993 CA GLU A 68 -7.803 6.158 -5.828 1.00 0.00 C ATOM 994 C GLU A 68 -7.729 7.274 -4.784 1.00 0.00 C ATOM 995 O GLU A 68 -7.069 7.125 -3.757 1.00 0.00 O ATOM 996 CB GLU A 68 -9.209 5.556 -5.888 1.00 0.00 C ATOM 997 CG GLU A 68 -9.407 4.755 -7.177 1.00 0.00 C ATOM 998 CD GLU A 68 -10.838 4.222 -7.276 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.166 3.325 -6.469 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -11.571 4.723 -8.156 1.00 0.00 O ATOM 0 H GLU A 68 -6.704 4.908 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.584 6.587 -6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.369 4.909 -5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.952 6.352 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.190 5.386 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.703 3.924 -7.205 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.415 8.367 -5.083 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.436 9.508 -4.184 1.00 0.00 C ATOM 1009 C PHE A 69 -9.813 10.175 -4.175 1.00 0.00 C ATOM 1010 O PHE A 69 -10.150 10.922 -5.093 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.401 10.507 -4.705 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.270 11.769 -3.851 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.147 12.796 -4.014 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.275 11.865 -2.928 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.025 13.967 -3.221 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.153 13.037 -2.136 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.030 14.063 -2.299 1.00 0.00 C ATOM 0 H PHE A 69 -8.961 8.487 -5.936 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.213 9.184 -3.167 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.430 10.014 -4.758 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.669 10.795 -5.722 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.936 12.720 -4.747 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.578 11.050 -2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.722 14.782 -3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.363 13.114 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.936 14.954 -1.696 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.571 9.882 -3.129 1.00 0.00 N ATOM 1028 CA ASN A 70 -11.903 10.444 -2.989 1.00 0.00 C ATOM 1029 C ASN A 70 -12.756 10.029 -4.190 1.00 0.00 C ATOM 1030 O ASN A 70 -13.802 10.621 -4.447 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.855 11.972 -2.950 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.701 12.518 -1.798 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.301 11.783 -1.031 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.715 13.846 -1.719 1.00 0.00 N ATOM 0 H ASN A 70 -10.288 9.262 -2.370 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.329 10.072 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.823 12.304 -2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.218 12.375 -3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.250 14.308 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.190 14.403 -2.394 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.276 9.013 -4.893 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.981 8.512 -6.060 1.00 0.00 C ATOM 1043 C GLY A 71 -12.113 8.623 -7.315 1.00 0.00 C ATOM 1044 O GLY A 71 -12.290 7.863 -8.265 1.00 0.00 O ATOM 0 H GLY A 71 -11.408 8.524 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.263 7.471 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.904 9.075 -6.201 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.194 9.576 -7.277 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.297 9.796 -8.399 1.00 0.00 C ATOM 1050 C ILE A 72 -9.519 8.510 -8.685 1.00 0.00 C ATOM 1051 O ILE A 72 -9.378 7.658 -7.809 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.404 11.011 -8.141 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.108 12.306 -8.550 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.049 10.852 -8.833 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -9.955 13.379 -7.470 1.00 0.00 C ATOM 0 H ILE A 72 -11.051 10.205 -6.487 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.864 10.032 -9.299 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.213 11.073 -7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.692 12.669 -9.490 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.166 12.109 -8.725 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.433 11.729 -8.634 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.548 9.963 -8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.199 10.751 -9.908 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.465 14.289 -7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.394 13.022 -6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.897 13.591 -7.315 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.034 8.411 -9.914 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.274 7.243 -10.326 1.00 0.00 C ATOM 1069 C ASN A 73 -6.788 7.603 -10.389 1.00 0.00 C ATOM 1070 O ASN A 73 -6.323 8.163 -11.381 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.705 6.767 -11.715 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.859 5.245 -11.749 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -9.555 4.648 -10.946 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -8.172 4.654 -12.723 1.00 0.00 N ATOM 0 H ASN A 73 -9.152 9.120 -10.638 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.455 6.450 -9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.649 7.238 -11.988 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.968 7.078 -12.455 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.209 3.640 -12.831 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.608 5.214 -13.362 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.085 7.268 -9.318 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.661 7.549 -9.239 1.00 0.00 C ATOM 1083 C LEU A 74 -3.896 6.522 -10.076 1.00 0.00 C ATOM 1084 O LEU A 74 -2.951 6.872 -10.782 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.208 7.614 -7.779 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.457 8.940 -7.058 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -3.850 8.922 -5.653 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -3.946 10.120 -7.887 1.00 0.00 C ATOM 0 H LEU A 74 -6.474 6.804 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.442 8.530 -9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.714 6.822 -7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.140 7.397 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.533 9.069 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.041 9.876 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.302 8.118 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.775 8.759 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.136 11.050 -7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.875 10.010 -8.055 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.463 10.142 -8.846 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.332 5.276 -9.969 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.700 4.196 -10.707 1.00 0.00 C ATOM 1102 C ARG A 75 -3.312 4.667 -12.110 1.00 0.00 C ATOM 1103 O ARG A 75 -2.338 4.183 -12.684 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.632 2.988 -10.822 1.00 0.00 C ATOM 1105 CG ARG A 75 -4.064 1.784 -10.068 1.00 0.00 C ATOM 1106 CD ARG A 75 -2.919 1.136 -10.851 1.00 0.00 C ATOM 1107 NE ARG A 75 -3.376 -0.133 -11.459 1.00 0.00 N ATOM 1108 CZ ARG A 75 -2.625 -0.891 -12.269 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -1.377 -0.513 -12.574 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -3.123 -2.028 -12.774 1.00 0.00 N ATOM 0 H ARG A 75 -5.116 4.990 -9.382 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.805 3.900 -10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.614 3.242 -10.422 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.772 2.731 -11.872 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.706 2.100 -9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.853 1.052 -9.898 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.569 1.816 -11.628 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.075 0.948 -10.188 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.322 -0.451 -11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.998 0.352 -12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.806 -1.090 -13.191 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.074 -2.316 -12.542 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.552 -2.605 -13.391 1.00 0.00 H new ATOM 1124 N SER A 76 -4.094 5.607 -12.621 1.00 0.00 N ATOM 1125 CA SER A 76 -3.845 6.149 -13.946 1.00 0.00 C ATOM 1126 C SER A 76 -3.709 7.672 -13.871 1.00 0.00 C ATOM 1127 O SER A 76 -4.383 8.395 -14.602 1.00 0.00 O ATOM 1128 CB SER A 76 -4.961 5.763 -14.918 1.00 0.00 C ATOM 1129 OG SER A 76 -4.475 5.592 -16.247 1.00 0.00 O ATOM 0 H SER A 76 -4.900 6.007 -12.141 1.00 0.00 H new ATOM 0 HA SER A 76 -2.913 5.725 -14.319 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.431 4.839 -14.582 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.732 6.534 -14.910 1.00 0.00 H new ATOM 0 HG SER A 76 -5.217 5.345 -16.837 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.833 8.113 -12.980 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.601 9.536 -12.800 1.00 0.00 C ATOM 1137 C ALA A 77 -1.095 9.806 -12.796 1.00 0.00 C ATOM 1138 O ALA A 77 -0.296 8.886 -12.627 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.281 10.005 -11.512 1.00 0.00 C ATOM 0 H ALA A 77 -2.275 7.510 -12.375 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.035 10.103 -13.623 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.107 11.072 -11.377 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.353 9.817 -11.577 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.868 9.460 -10.663 1.00 0.00 H new ATOM 1145 N THR A 78 -0.752 11.071 -12.984 1.00 0.00 N ATOM 1146 CA THR A 78 0.644 11.474 -13.005 1.00 0.00 C ATOM 1147 C THR A 78 0.989 12.264 -11.741 1.00 0.00 C ATOM 1148 O THR A 78 0.112 12.861 -11.118 1.00 0.00 O ATOM 1149 CB THR A 78 0.892 12.255 -14.297 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.209 13.157 -14.374 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.748 11.383 -15.545 1.00 0.00 C ATOM 0 H THR A 78 -1.417 11.832 -13.123 1.00 0.00 H new ATOM 0 HA THR A 78 1.306 10.608 -13.001 1.00 0.00 H new ATOM 0 HB THR A 78 1.891 12.690 -14.272 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.746 12.950 -15.167 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.934 11.986 -16.434 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.469 10.566 -15.503 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.262 10.974 -15.589 1.00 0.00 H new ATOM 1159 N GLU A 79 2.269 12.243 -11.400 1.00 0.00 N ATOM 1160 CA GLU A 79 2.742 12.950 -10.222 1.00 0.00 C ATOM 1161 C GLU A 79 2.175 14.371 -10.193 1.00 0.00 C ATOM 1162 O GLU A 79 1.842 14.889 -9.128 1.00 0.00 O ATOM 1163 CB GLU A 79 4.271 12.969 -10.170 1.00 0.00 C ATOM 1164 CG GLU A 79 4.865 13.110 -11.572 1.00 0.00 C ATOM 1165 CD GLU A 79 6.289 13.667 -11.510 1.00 0.00 C ATOM 1166 OE1 GLU A 79 7.219 12.837 -11.407 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.416 14.909 -11.568 1.00 0.00 O ATOM 0 H GLU A 79 2.994 11.747 -11.919 1.00 0.00 H new ATOM 0 HA GLU A 79 2.388 12.420 -9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.607 13.796 -9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.634 12.051 -9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.872 12.139 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.238 13.770 -12.172 1.00 0.00 H new ATOM 1174 N GLN A 80 2.082 14.961 -11.375 1.00 0.00 N ATOM 1175 CA GLN A 80 1.562 16.312 -11.499 1.00 0.00 C ATOM 1176 C GLN A 80 0.099 16.360 -11.051 1.00 0.00 C ATOM 1177 O GLN A 80 -0.255 17.130 -10.159 1.00 0.00 O ATOM 1178 CB GLN A 80 1.714 16.830 -12.930 1.00 0.00 C ATOM 1179 CG GLN A 80 3.025 16.345 -13.552 1.00 0.00 C ATOM 1180 CD GLN A 80 3.519 17.322 -14.622 1.00 0.00 C ATOM 1181 OE1 GLN A 80 3.951 18.427 -14.338 1.00 0.00 O ATOM 1182 NE2 GLN A 80 3.431 16.854 -15.863 1.00 0.00 N ATOM 0 H GLN A 80 2.358 14.528 -12.256 1.00 0.00 H new ATOM 0 HA GLN A 80 2.144 16.965 -10.848 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.873 16.491 -13.535 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.688 17.920 -12.931 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.782 16.237 -12.775 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.879 15.359 -13.994 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.059 15.919 -16.030 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.735 17.430 -16.648 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.710 15.529 -11.690 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.125 15.467 -11.369 1.00 0.00 C ATOM 1193 C GLN A 81 -2.319 15.139 -9.887 1.00 0.00 C ATOM 1194 O GLN A 81 -3.133 15.767 -9.210 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.845 14.447 -12.254 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.361 15.102 -13.537 1.00 0.00 C ATOM 1197 CD GLN A 81 -2.392 14.873 -14.699 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -2.616 14.054 -15.575 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -1.307 15.640 -14.657 1.00 0.00 N ATOM 0 H GLN A 81 -0.412 14.892 -12.429 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.565 16.445 -11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.164 13.633 -12.505 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.678 14.008 -11.705 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.340 14.694 -13.789 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.494 16.172 -13.375 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.182 16.306 -13.894 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.599 15.563 -15.388 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.559 14.157 -9.426 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.637 13.739 -8.037 1.00 0.00 C ATOM 1210 C ALA A 82 -1.331 14.934 -7.131 1.00 0.00 C ATOM 1211 O ALA A 82 -2.024 15.160 -6.141 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.680 12.569 -7.801 1.00 0.00 C ATOM 0 H ALA A 82 -0.886 13.638 -9.990 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.642 13.392 -7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.739 12.256 -6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.958 11.736 -8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.339 12.881 -8.029 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.292 15.667 -7.503 1.00 0.00 N ATOM 1219 CA ARG A 83 0.114 16.833 -6.737 1.00 0.00 C ATOM 1220 C ARG A 83 -0.986 17.895 -6.764 1.00 0.00 C ATOM 1221 O ARG A 83 -0.938 18.862 -6.005 1.00 0.00 O ATOM 1222 CB ARG A 83 1.408 17.433 -7.291 1.00 0.00 C ATOM 1223 CG ARG A 83 2.618 16.580 -6.905 1.00 0.00 C ATOM 1224 CD ARG A 83 3.756 16.754 -7.913 1.00 0.00 C ATOM 1225 NE ARG A 83 4.648 17.854 -7.484 1.00 0.00 N ATOM 1226 CZ ARG A 83 4.443 19.145 -7.776 1.00 0.00 C ATOM 1227 NH1 ARG A 83 3.375 19.507 -8.500 1.00 0.00 N ATOM 1228 NH2 ARG A 83 5.306 20.075 -7.345 1.00 0.00 N ATOM 0 H ARG A 83 0.281 15.476 -8.325 1.00 0.00 H new ATOM 0 HA ARG A 83 0.287 16.511 -5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.343 17.508 -8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.536 18.446 -6.909 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.963 16.861 -5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.327 15.531 -6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.323 15.827 -7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.348 16.969 -8.901 1.00 0.00 H new ATOM 0 HE ARG A 83 5.471 17.614 -6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.718 18.799 -8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.219 20.490 -8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.119 19.800 -6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.150 21.058 -7.568 1.00 0.00 H new ATOM 1242 N LEU A 84 -1.950 17.680 -7.646 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.060 18.608 -7.783 1.00 0.00 C ATOM 1244 C LEU A 84 -4.286 18.039 -7.064 1.00 0.00 C ATOM 1245 O LEU A 84 -4.869 18.700 -6.206 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.308 18.934 -9.257 1.00 0.00 C ATOM 1247 CG LEU A 84 -4.634 18.439 -9.840 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -5.822 19.095 -9.134 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -4.679 18.649 -11.354 1.00 0.00 C ATOM 0 H LEU A 84 -1.986 16.877 -8.273 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.822 19.559 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.260 20.016 -9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.494 18.509 -9.845 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.707 17.366 -9.662 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.752 18.726 -9.567 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.794 18.851 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.768 20.176 -9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.631 18.289 -11.743 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.574 19.711 -11.577 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.864 18.097 -11.822 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.640 16.819 -7.441 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.785 16.154 -6.844 1.00 0.00 C ATOM 1263 C ILE A 85 -5.713 16.293 -5.322 1.00 0.00 C ATOM 1264 O ILE A 85 -6.697 16.660 -4.681 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.874 14.704 -7.325 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -5.975 14.638 -8.850 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -7.028 13.970 -6.641 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.328 13.360 -9.388 1.00 0.00 C ATOM 0 H ILE A 85 -4.154 16.274 -8.153 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.712 16.630 -7.165 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.954 14.192 -7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.022 14.674 -9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.488 15.509 -9.288 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.069 12.942 -7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.872 13.971 -5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.967 14.473 -6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.414 13.338 -10.474 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.275 13.339 -9.107 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.834 12.491 -8.967 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.539 15.993 -4.786 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.326 16.081 -3.352 1.00 0.00 C ATOM 1282 C ILE A 86 -4.319 17.551 -2.930 1.00 0.00 C ATOM 1283 O ILE A 86 -4.714 17.883 -1.813 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.061 15.320 -2.951 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.806 16.049 -3.434 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.110 13.873 -3.447 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.619 15.089 -3.537 1.00 0.00 C ATOM 0 H ILE A 86 -3.725 15.689 -5.320 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.144 15.600 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.015 15.286 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.997 16.503 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.564 16.859 -2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.199 13.355 -3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.973 13.369 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.193 13.864 -4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.260 15.633 -3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.416 14.655 -2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.855 14.294 -4.244 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.866 18.394 -3.846 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.802 19.822 -3.583 1.00 0.00 C ATOM 1301 C GLY A 87 -5.075 20.524 -4.059 1.00 0.00 C ATOM 1302 O GLY A 87 -5.020 21.648 -4.557 1.00 0.00 O ATOM 0 H GLY A 87 -3.540 18.116 -4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.666 19.993 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.936 20.250 -4.088 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.193 19.833 -3.888 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.478 20.377 -4.293 1.00 0.00 C ATOM 1308 C GLN A 88 -8.281 20.812 -3.066 1.00 0.00 C ATOM 1309 O GLN A 88 -7.777 20.775 -1.944 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.262 19.364 -5.131 1.00 0.00 C ATOM 1311 CG GLN A 88 -7.847 19.431 -6.602 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.070 19.566 -7.511 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -9.718 20.597 -7.575 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.349 18.468 -8.209 1.00 0.00 N ATOM 0 H GLN A 88 -6.235 18.902 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.300 21.254 -4.915 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.091 18.359 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.330 19.562 -5.041 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.179 20.278 -6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.289 18.533 -6.868 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.765 17.638 -8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.147 18.457 -8.845 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.518 21.215 -3.320 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.395 21.657 -2.249 1.00 0.00 C ATOM 1325 C GLN A 89 -11.398 20.556 -1.896 1.00 0.00 C ATOM 1326 O GLN A 89 -11.802 19.780 -2.760 1.00 0.00 O ATOM 1327 CB GLN A 89 -11.115 22.952 -2.630 1.00 0.00 C ATOM 1328 CG GLN A 89 -12.004 22.745 -3.858 1.00 0.00 C ATOM 1329 CD GLN A 89 -11.221 22.990 -5.150 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -10.850 24.104 -5.479 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -10.991 21.889 -5.860 1.00 0.00 N ATOM 0 H GLN A 89 -9.933 21.245 -4.251 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.786 21.863 -1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.721 23.295 -1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.382 23.733 -2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.402 21.730 -3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.857 23.422 -3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.330 20.987 -5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.475 21.947 -6.738 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.770 20.524 -0.625 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.717 19.532 -0.147 1.00 0.00 C ATOM 1342 C CYS A 90 -12.581 19.431 1.373 1.00 0.00 C ATOM 1343 O CYS A 90 -11.607 18.874 1.878 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.510 18.178 -0.830 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.787 17.924 -2.115 1.00 0.00 S ATOM 0 H CYS A 90 -11.432 21.170 0.089 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.731 19.842 -0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.517 18.136 -1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.561 17.378 -0.092 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.508 18.654 -3.154 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.572 19.978 2.062 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.575 19.957 3.515 1.00 0.00 C ATOM 1353 C ASP A 91 -13.124 18.578 4.001 1.00 0.00 C ATOM 1354 O ASP A 91 -12.283 18.475 4.893 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.978 20.217 4.066 1.00 0.00 C ATOM 1356 CG ASP A 91 -15.294 21.684 4.365 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -15.787 22.359 3.436 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -15.035 22.097 5.516 1.00 0.00 O ATOM 0 H ASP A 91 -14.379 20.439 1.641 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.900 20.737 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.709 19.842 3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -15.105 19.640 4.982 1.00 0.00 H new ATOM 1363 N THR A 92 -13.703 17.553 3.394 1.00 0.00 N ATOM 1364 CA THR A 92 -13.371 16.185 3.754 1.00 0.00 C ATOM 1365 C THR A 92 -13.168 15.337 2.497 1.00 0.00 C ATOM 1366 O THR A 92 -14.067 15.228 1.665 1.00 0.00 O ATOM 1367 CB THR A 92 -14.476 15.656 4.671 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.436 16.526 5.800 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.146 14.279 5.250 1.00 0.00 C ATOM 0 H THR A 92 -14.400 17.642 2.655 1.00 0.00 H new ATOM 0 HA THR A 92 -12.427 16.137 4.297 1.00 0.00 H new ATOM 0 HB THR A 92 -15.413 15.602 4.117 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.122 16.256 6.446 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.962 13.950 5.893 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.014 13.565 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.227 14.340 5.833 1.00 0.00 H new ATOM 1377 N ILE A 93 -11.980 14.758 2.398 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.647 13.924 1.257 1.00 0.00 C ATOM 1379 C ILE A 93 -11.052 12.604 1.752 1.00 0.00 C ATOM 1380 O ILE A 93 -10.343 12.577 2.757 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.739 14.681 0.286 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -9.830 13.718 -0.481 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.941 15.765 1.013 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.693 13.212 0.409 1.00 0.00 C ATOM 0 H ILE A 93 -11.236 14.851 3.090 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.545 13.678 0.691 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.369 15.182 -0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.414 12.873 -0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.416 14.221 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.304 16.288 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.628 16.475 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.322 15.306 1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.062 12.529 -0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.096 14.057 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.110 12.689 1.269 1.00 0.00 H new ATOM 1396 N THR A 94 -11.361 11.542 1.023 1.00 0.00 N ATOM 1397 CA THR A 94 -10.866 10.222 1.376 1.00 0.00 C ATOM 1398 C THR A 94 -9.743 9.802 0.425 1.00 0.00 C ATOM 1399 O THR A 94 -9.498 10.464 -0.583 1.00 0.00 O ATOM 1400 CB THR A 94 -12.053 9.257 1.378 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.127 10.028 1.909 1.00 0.00 O ATOM 1402 CG2 THR A 94 -11.879 8.117 2.384 1.00 0.00 C ATOM 0 H THR A 94 -11.948 11.568 0.189 1.00 0.00 H new ATOM 0 HA THR A 94 -10.424 10.219 2.372 1.00 0.00 H new ATOM 0 HB THR A 94 -12.185 8.842 0.379 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.938 9.479 1.944 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.749 7.461 2.345 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.984 7.547 2.137 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.780 8.530 3.388 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.091 8.704 0.779 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.000 8.188 -0.030 1.00 0.00 C ATOM 1412 C ILE A 95 -8.004 6.660 0.031 1.00 0.00 C ATOM 1413 O ILE A 95 -8.247 6.078 1.087 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.672 8.817 0.397 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.712 10.339 0.244 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.501 8.196 -0.366 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.433 10.979 0.788 1.00 0.00 C ATOM 0 H ILE A 95 -9.297 8.158 1.615 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.136 8.466 -1.075 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.517 8.603 1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.834 10.599 -0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.577 10.739 0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.569 8.661 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.462 7.126 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.636 8.358 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.488 12.061 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.326 10.737 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.573 10.596 0.240 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.733 6.052 -1.115 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.702 4.602 -1.205 1.00 0.00 C ATOM 1431 C LEU A 96 -6.249 4.132 -1.291 1.00 0.00 C ATOM 1432 O LEU A 96 -5.547 4.446 -2.251 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.575 4.119 -2.365 1.00 0.00 C ATOM 1434 CG LEU A 96 -8.692 2.602 -2.529 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -7.311 1.955 -2.644 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.520 1.991 -1.396 1.00 0.00 C ATOM 0 H LEU A 96 -7.533 6.538 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.129 4.155 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.577 4.529 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.178 4.535 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.221 2.398 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.423 0.877 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.790 2.361 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.734 2.165 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.588 0.912 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.041 2.203 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.521 2.422 -1.404 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.841 3.387 -0.274 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.484 2.869 -0.223 1.00 0.00 C ATOM 1450 C ALA A 97 -4.527 1.359 0.015 1.00 0.00 C ATOM 1451 O ALA A 97 -5.406 0.862 0.718 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.696 3.608 0.861 1.00 0.00 C ATOM 0 H ALA A 97 -6.426 3.130 0.521 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.973 3.038 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.678 3.220 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.670 4.673 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.178 3.459 1.827 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.567 0.670 -0.584 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.484 -0.774 -0.446 1.00 0.00 C ATOM 1460 C GLN A 98 -2.024 -1.212 -0.317 1.00 0.00 C ATOM 1461 O GLN A 98 -1.587 -2.139 -0.998 1.00 0.00 O ATOM 1462 CB GLN A 98 -4.165 -1.477 -1.622 1.00 0.00 C ATOM 1463 CG GLN A 98 -4.303 -2.978 -1.358 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.519 -3.747 -2.664 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -4.085 -3.344 -3.730 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -5.213 -4.872 -2.520 1.00 0.00 N ATOM 0 H GLN A 98 -2.840 1.085 -1.166 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.011 -1.063 0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.150 -1.042 -1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.586 -1.316 -2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.407 -3.347 -0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.141 -3.157 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.547 -5.151 -1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.411 -5.456 -3.332 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.309 -0.526 0.563 1.00 0.00 N ATOM 1476 CA TYR A 99 0.093 -0.833 0.790 1.00 0.00 C ATOM 1477 C TYR A 99 0.776 -1.271 -0.507 1.00 0.00 C ATOM 1478 O TYR A 99 0.315 -0.938 -1.598 1.00 0.00 O ATOM 1479 CB TYR A 99 0.114 -1.997 1.782 1.00 0.00 C ATOM 1480 CG TYR A 99 1.379 -2.060 2.640 1.00 0.00 C ATOM 1481 CD1 TYR A 99 1.812 -0.937 3.315 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.088 -3.240 2.739 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.003 -0.996 4.123 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.278 -3.300 3.547 1.00 0.00 C ATOM 1485 CZ TYR A 99 3.677 -2.175 4.199 1.00 0.00 C ATOM 1486 OH TYR A 99 4.802 -2.231 4.962 1.00 0.00 O ATOM 0 H TYR A 99 -1.674 0.241 1.127 1.00 0.00 H new ATOM 0 HA TYR A 99 0.622 0.044 1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.754 -1.918 2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.014 -2.932 1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.258 -0.013 3.237 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.750 -4.119 2.210 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.353 -0.124 4.656 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.841 -4.218 3.633 1.00 0.00 H new ATOM 0 HH TYR A 99 5.178 -3.135 4.924 1.00 0.00 H new ATOM 1496 N ASN A 100 1.863 -2.011 -0.345 1.00 0.00 N ATOM 1497 CA ASN A 100 2.614 -2.498 -1.490 1.00 0.00 C ATOM 1498 C ASN A 100 4.032 -2.862 -1.046 1.00 0.00 C ATOM 1499 O ASN A 100 4.969 -2.093 -1.256 1.00 0.00 O ATOM 1500 CB ASN A 100 2.719 -1.426 -2.576 1.00 0.00 C ATOM 1501 CG ASN A 100 3.062 -0.063 -1.971 1.00 0.00 C ATOM 1502 OD1 ASN A 100 2.883 0.183 -0.789 1.00 0.00 O ATOM 1503 ND2 ASN A 100 3.564 0.806 -2.844 1.00 0.00 N ATOM 0 H ASN A 100 2.242 -2.285 0.562 1.00 0.00 H new ATOM 0 HA ASN A 100 2.092 -3.367 -1.891 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.484 -1.710 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.776 -1.360 -3.119 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.825 1.743 -2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.688 0.535 -3.820 1.00 0.00 H new ATOM 1510 N PRO A 101 4.148 -4.067 -0.426 1.00 0.00 N ATOM 1511 CA PRO A 101 5.436 -4.543 0.049 1.00 0.00 C ATOM 1512 C PRO A 101 6.308 -5.020 -1.115 1.00 0.00 C ATOM 1513 O PRO A 101 6.789 -6.151 -1.111 1.00 0.00 O ATOM 1514 CB PRO A 101 5.107 -5.650 1.037 1.00 0.00 C ATOM 1515 CG PRO A 101 3.677 -6.068 0.733 1.00 0.00 C ATOM 1516 CD PRO A 101 3.061 -5.004 -0.161 1.00 0.00 C ATOM 0 HA PRO A 101 6.022 -3.760 0.530 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.792 -6.490 0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.201 -5.298 2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.660 -7.039 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.105 -6.170 1.655 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.677 -5.437 -1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.223 -4.510 0.331 1.00 0.00 H new