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 78 THR OG1 : rot -147:sc= -1.38 USER MOD Set 1.2: A 81 GLN : amide:sc= -2.41 K(o=-3.8,f=-0.93) USER MOD Set 2.1: A 65 GLN : amide:sc= -0.0587 K(o=-1.4,f=-5.9) USER MOD Set 2.2: A 100 ASN : amide:sc= -1.38! C(o=-1.4!,f=-5.5!) USER MOD Set 3.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 47 SER OG : rot 180:sc= -0.0376 USER MOD Single : A 22 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-3.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0713 K(o=-0.071,f=-0.82) USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= -1.72 (180deg=-3.87!) USER MOD Single : A 29 SER OG : rot 34:sc= 0.555 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 USER MOD Single : A 53 SER OG : rot -115:sc= 0.0338 USER MOD Single : A 56 HIS : no HD1:sc= -4.48 X(o=-4.5,f=-4!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -4.36! C(o=-4.4!,f=-8.5!) USER MOD Single : A 73 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.3) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.287 K(o=-0.29,f=-3.8!) USER MOD Single : A 88 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.3!) USER MOD Single : A 89 GLN : amide:sc= -0.976 K(o=-0.98,f=0) USER MOD Single : A 90 CYS SG : rot 60:sc= -0.13 USER MOD Single : A 92 THR OG1 : rot 180:sc=-0.00988 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -2.15 K(o=-2.2,f=-4.4!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -1.868 -9.624 -0.017 1.00 0.00 N ATOM 230 CA VAL A 17 -1.730 -8.190 -0.207 1.00 0.00 C ATOM 231 C VAL A 17 -2.699 -7.460 0.725 1.00 0.00 C ATOM 232 O VAL A 17 -3.914 -7.545 0.552 1.00 0.00 O ATOM 233 CB VAL A 17 -1.936 -7.834 -1.681 1.00 0.00 C ATOM 234 CG1 VAL A 17 -3.384 -8.083 -2.107 1.00 0.00 C ATOM 235 CG2 VAL A 17 -1.522 -6.388 -1.959 1.00 0.00 C ATOM 0 HA VAL A 17 -0.722 -7.866 0.054 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.295 -8.485 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.504 -7.822 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.630 -9.135 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.052 -7.469 -1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.678 -6.161 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.124 -5.714 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.468 -6.257 -1.712 1.00 0.00 H new ATOM 245 N GLU A 18 -2.126 -6.760 1.693 1.00 0.00 N ATOM 246 CA GLU A 18 -2.924 -6.016 2.652 1.00 0.00 C ATOM 247 C GLU A 18 -4.026 -5.235 1.934 1.00 0.00 C ATOM 248 O GLU A 18 -3.757 -4.215 1.301 1.00 0.00 O ATOM 249 CB GLU A 18 -2.047 -5.083 3.489 1.00 0.00 C ATOM 250 CG GLU A 18 -0.818 -5.820 4.026 1.00 0.00 C ATOM 251 CD GLU A 18 -0.726 -5.695 5.548 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.118 -4.700 5.999 1.00 0.00 O ATOM 253 OE2 GLU A 18 -1.264 -6.597 6.226 1.00 0.00 O ATOM 0 H GLU A 18 -1.118 -6.693 1.834 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.394 -6.726 3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.730 -4.235 2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.627 -4.682 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.869 -6.872 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.084 -5.412 3.569 1.00 0.00 H new ATOM 260 N GLU A 19 -5.243 -5.744 2.055 1.00 0.00 N ATOM 261 CA GLU A 19 -6.387 -5.107 1.425 1.00 0.00 C ATOM 262 C GLU A 19 -6.255 -3.584 1.501 1.00 0.00 C ATOM 263 O GLU A 19 -5.569 -3.060 2.378 1.00 0.00 O ATOM 264 CB GLU A 19 -7.696 -5.576 2.062 1.00 0.00 C ATOM 265 CG GLU A 19 -8.302 -6.741 1.276 1.00 0.00 C ATOM 266 CD GLU A 19 -9.828 -6.741 1.385 1.00 0.00 C ATOM 267 OE1 GLU A 19 -10.408 -5.644 1.230 1.00 0.00 O ATOM 268 OE2 GLU A 19 -10.380 -7.837 1.619 1.00 0.00 O ATOM 0 H GLU A 19 -5.462 -6.591 2.580 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.408 -5.399 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.514 -5.883 3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.405 -4.748 2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.009 -6.669 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.907 -7.684 1.654 1.00 0.00 H new ATOM 275 N PRO A 20 -6.941 -2.899 0.547 1.00 0.00 N ATOM 276 CA PRO A 20 -6.907 -1.448 0.498 1.00 0.00 C ATOM 277 C PRO A 20 -7.773 -0.841 1.604 1.00 0.00 C ATOM 278 O PRO A 20 -8.849 -1.354 1.907 1.00 0.00 O ATOM 279 CB PRO A 20 -7.390 -1.090 -0.898 1.00 0.00 C ATOM 280 CG PRO A 20 -8.115 -2.321 -1.416 1.00 0.00 C ATOM 281 CD PRO A 20 -7.763 -3.487 -0.506 1.00 0.00 C ATOM 0 HA PRO A 20 -5.910 -1.045 0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.055 -0.227 -0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.553 -0.828 -1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.192 -2.155 -1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.818 -2.535 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.659 -3.954 -0.096 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.219 -4.262 -1.047 1.00 0.00 H new ATOM 289 N ARG A 21 -7.270 0.242 2.178 1.00 0.00 N ATOM 290 CA ARG A 21 -7.984 0.924 3.244 1.00 0.00 C ATOM 291 C ARG A 21 -8.493 2.282 2.758 1.00 0.00 C ATOM 292 O ARG A 21 -8.042 2.787 1.731 1.00 0.00 O ATOM 293 CB ARG A 21 -7.085 1.131 4.465 1.00 0.00 C ATOM 294 CG ARG A 21 -6.077 2.255 4.218 1.00 0.00 C ATOM 295 CD ARG A 21 -5.229 2.514 5.466 1.00 0.00 C ATOM 296 NE ARG A 21 -6.098 2.925 6.591 1.00 0.00 N ATOM 297 CZ ARG A 21 -5.713 2.929 7.875 1.00 0.00 C ATOM 298 NH1 ARG A 21 -4.472 2.543 8.203 1.00 0.00 N ATOM 299 NH2 ARG A 21 -6.568 3.318 8.830 1.00 0.00 N ATOM 0 H ARG A 21 -6.377 0.664 1.925 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.828 0.297 3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.696 1.370 5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.555 0.206 4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.429 1.991 3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.605 3.166 3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.676 1.614 5.733 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.493 3.292 5.261 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.049 3.224 6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.821 2.246 7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.178 2.546 9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.512 3.611 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.275 3.321 9.807 1.00 0.00 H new ATOM 313 N HIS A 22 -9.426 2.836 3.519 1.00 0.00 N ATOM 314 CA HIS A 22 -10.002 4.126 3.179 1.00 0.00 C ATOM 315 C HIS A 22 -9.618 5.156 4.243 1.00 0.00 C ATOM 316 O HIS A 22 -10.281 5.266 5.273 1.00 0.00 O ATOM 317 CB HIS A 22 -11.515 4.011 2.983 1.00 0.00 C ATOM 318 CG HIS A 22 -11.929 2.925 2.019 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.447 1.630 2.096 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.784 2.955 0.957 1.00 0.00 C ATOM 321 CE1 HIS A 22 -11.994 0.922 1.119 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.821 1.745 0.414 1.00 0.00 N ATOM 0 H HIS A 22 -9.797 2.415 4.370 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.597 4.470 2.227 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.983 3.822 3.949 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.898 4.966 2.624 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.337 3.818 0.616 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.816 -0.124 0.917 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.377 1.475 -0.398 1.00 0.00 H new ATOM 330 N VAL A 23 -8.548 5.884 3.958 1.00 0.00 N ATOM 331 CA VAL A 23 -8.068 6.901 4.877 1.00 0.00 C ATOM 332 C VAL A 23 -8.812 8.212 4.615 1.00 0.00 C ATOM 333 O VAL A 23 -8.751 8.754 3.513 1.00 0.00 O ATOM 334 CB VAL A 23 -6.549 7.041 4.756 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.042 8.234 5.569 1.00 0.00 C ATOM 336 CG2 VAL A 23 -5.844 5.750 5.178 1.00 0.00 C ATOM 0 H VAL A 23 -8.000 5.789 3.103 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.273 6.611 5.908 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.312 7.225 3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.960 8.311 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.507 9.149 5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.297 8.093 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.766 5.876 5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.092 5.522 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.171 4.931 4.538 1.00 0.00 H new ATOM 346 N LYS A 24 -9.497 8.683 5.646 1.00 0.00 N ATOM 347 CA LYS A 24 -10.252 9.920 5.541 1.00 0.00 C ATOM 348 C LYS A 24 -9.330 11.103 5.842 1.00 0.00 C ATOM 349 O LYS A 24 -8.346 10.959 6.566 1.00 0.00 O ATOM 350 CB LYS A 24 -11.495 9.867 6.433 1.00 0.00 C ATOM 351 CG LYS A 24 -12.696 9.308 5.667 1.00 0.00 C ATOM 352 CD LYS A 24 -13.958 9.337 6.530 1.00 0.00 C ATOM 353 CE LYS A 24 -15.186 9.706 5.695 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.369 8.940 6.146 1.00 0.00 N ATOM 0 H LYS A 24 -9.545 8.230 6.559 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.622 10.054 4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.294 9.246 7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.727 10.867 6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.857 9.892 4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.488 8.285 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.109 8.362 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.834 10.058 7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.383 10.775 5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.992 9.501 4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.193 9.203 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.184 7.922 6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.563 9.156 7.145 1.00 0.00 H new ATOM 368 N VAL A 25 -9.680 12.246 5.271 1.00 0.00 N ATOM 369 CA VAL A 25 -8.896 13.453 5.469 1.00 0.00 C ATOM 370 C VAL A 25 -9.830 14.608 5.837 1.00 0.00 C ATOM 371 O VAL A 25 -10.851 14.817 5.185 1.00 0.00 O ATOM 372 CB VAL A 25 -8.052 13.739 4.225 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.055 14.869 4.487 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.335 12.475 3.747 1.00 0.00 C ATOM 0 H VAL A 25 -10.497 12.362 4.671 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.198 13.324 6.296 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.725 14.063 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.468 15.052 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.596 15.776 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.390 14.586 5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.742 12.706 2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.680 12.108 4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.071 11.710 3.501 1.00 0.00 H new ATOM 384 N GLN A 26 -9.445 15.328 6.880 1.00 0.00 N ATOM 385 CA GLN A 26 -10.235 16.457 7.343 1.00 0.00 C ATOM 386 C GLN A 26 -9.506 17.770 7.050 1.00 0.00 C ATOM 387 O GLN A 26 -9.027 18.436 7.966 1.00 0.00 O ATOM 388 CB GLN A 26 -10.556 16.328 8.833 1.00 0.00 C ATOM 389 CG GLN A 26 -12.040 16.030 9.051 1.00 0.00 C ATOM 390 CD GLN A 26 -12.565 16.740 10.301 1.00 0.00 C ATOM 391 OE1 GLN A 26 -11.823 17.091 11.203 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.881 16.931 10.302 1.00 0.00 N ATOM 0 H GLN A 26 -8.596 15.152 7.418 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.181 16.460 6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.954 15.532 9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.287 17.251 9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.611 16.351 8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.188 14.955 9.150 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.443 16.612 9.513 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.328 17.397 11.092 1.00 0.00 H new ATOM 401 N LYS A 27 -9.446 18.103 5.769 1.00 0.00 N ATOM 402 CA LYS A 27 -8.784 19.325 5.344 1.00 0.00 C ATOM 403 C LYS A 27 -9.485 20.527 5.979 1.00 0.00 C ATOM 404 O LYS A 27 -9.063 21.014 7.027 1.00 0.00 O ATOM 405 CB LYS A 27 -8.710 19.392 3.817 1.00 0.00 C ATOM 406 CG LYS A 27 -7.258 19.447 3.340 1.00 0.00 C ATOM 407 CD LYS A 27 -6.737 18.049 3.004 1.00 0.00 C ATOM 408 CE LYS A 27 -6.558 17.877 1.495 1.00 0.00 C ATOM 409 NZ LYS A 27 -7.086 16.566 1.056 1.00 0.00 N ATOM 0 H LYS A 27 -9.845 17.548 5.012 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.751 19.338 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.205 18.521 3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.247 20.272 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.185 20.087 2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.634 19.895 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.785 17.881 3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.433 17.298 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.075 18.679 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.502 17.955 1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.294 15.932 0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.655 16.148 1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.681 16.696 0.213 1.00 0.00 H new ATOM 423 N GLY A 28 -10.543 20.972 5.318 1.00 0.00 N ATOM 424 CA GLY A 28 -11.306 22.108 5.805 1.00 0.00 C ATOM 425 C GLY A 28 -10.785 23.416 5.206 1.00 0.00 C ATOM 426 O GLY A 28 -11.477 24.063 4.421 1.00 0.00 O ATOM 0 H GLY A 28 -10.890 20.566 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.358 21.980 5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.245 22.152 6.892 1.00 0.00 H new ATOM 430 N SER A 29 -9.569 23.767 5.599 1.00 0.00 N ATOM 431 CA SER A 29 -8.947 24.986 5.111 1.00 0.00 C ATOM 432 C SER A 29 -7.430 24.909 5.296 1.00 0.00 C ATOM 433 O SER A 29 -6.797 25.892 5.677 1.00 0.00 O ATOM 434 CB SER A 29 -9.507 26.215 5.829 1.00 0.00 C ATOM 435 OG SER A 29 -10.662 26.735 5.175 1.00 0.00 O ATOM 0 H SER A 29 -8.998 23.228 6.250 1.00 0.00 H new ATOM 0 HA SER A 29 -9.173 25.084 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.760 25.951 6.856 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.739 26.987 5.878 1.00 0.00 H new ATOM 0 HG SER A 29 -11.178 25.998 4.787 1.00 0.00 H new ATOM 441 N GLU A 30 -6.891 23.731 5.017 1.00 0.00 N ATOM 442 CA GLU A 30 -5.460 23.513 5.148 1.00 0.00 C ATOM 443 C GLU A 30 -4.965 22.570 4.050 1.00 0.00 C ATOM 444 O GLU A 30 -5.742 21.796 3.494 1.00 0.00 O ATOM 445 CB GLU A 30 -5.113 22.970 6.535 1.00 0.00 C ATOM 446 CG GLU A 30 -5.058 24.098 7.568 1.00 0.00 C ATOM 447 CD GLU A 30 -6.055 23.851 8.702 1.00 0.00 C ATOM 448 OE1 GLU A 30 -7.254 24.122 8.474 1.00 0.00 O ATOM 449 OE2 GLU A 30 -5.596 23.396 9.772 1.00 0.00 O ATOM 0 H GLU A 30 -7.419 22.918 4.701 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.954 24.471 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.856 22.232 6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.151 22.458 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.050 24.174 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.279 25.050 7.085 1.00 0.00 H new ATOM 456 N PRO A 31 -3.639 22.669 3.762 1.00 0.00 N ATOM 457 CA PRO A 31 -3.030 21.835 2.740 1.00 0.00 C ATOM 458 C PRO A 31 -2.850 20.400 3.240 1.00 0.00 C ATOM 459 O PRO A 31 -2.998 20.130 4.431 1.00 0.00 O ATOM 460 CB PRO A 31 -1.714 22.517 2.407 1.00 0.00 C ATOM 461 CG PRO A 31 -1.418 23.444 3.575 1.00 0.00 C ATOM 462 CD PRO A 31 -2.688 23.575 4.400 1.00 0.00 C ATOM 0 HA PRO A 31 -3.651 21.741 1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.917 21.785 2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.789 23.076 1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.607 23.044 4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.094 24.421 3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.515 23.299 5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.057 24.601 4.399 1.00 0.00 H new ATOM 470 N LEU A 32 -2.533 19.517 2.305 1.00 0.00 N ATOM 471 CA LEU A 32 -2.331 18.116 2.635 1.00 0.00 C ATOM 472 C LEU A 32 -0.946 17.939 3.260 1.00 0.00 C ATOM 473 O LEU A 32 -0.825 17.454 4.384 1.00 0.00 O ATOM 474 CB LEU A 32 -2.569 17.236 1.407 1.00 0.00 C ATOM 475 CG LEU A 32 -2.879 15.764 1.686 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.127 15.622 2.559 1.00 0.00 C ATOM 477 CD2 LEU A 32 -2.998 14.972 0.383 1.00 0.00 C ATOM 0 H LEU A 32 -2.411 19.744 1.318 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.060 17.790 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.396 17.659 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.685 17.286 0.772 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.045 15.340 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.325 14.566 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.966 16.131 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.981 16.068 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.219 13.929 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.801 15.389 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.059 15.033 -0.167 1.00 0.00 H new ATOM 489 N GLY A 33 0.065 18.341 2.504 1.00 0.00 N ATOM 490 CA GLY A 33 1.437 18.233 2.969 1.00 0.00 C ATOM 491 C GLY A 33 1.971 16.811 2.777 1.00 0.00 C ATOM 492 O GLY A 33 2.332 16.144 3.745 1.00 0.00 O ATOM 0 H GLY A 33 -0.039 18.742 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.066 18.938 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.490 18.506 4.023 1.00 0.00 H new ATOM 496 N ILE A 34 2.004 16.391 1.521 1.00 0.00 N ATOM 497 CA ILE A 34 2.487 15.062 1.189 1.00 0.00 C ATOM 498 C ILE A 34 3.167 15.098 -0.181 1.00 0.00 C ATOM 499 O ILE A 34 2.825 15.924 -1.026 1.00 0.00 O ATOM 500 CB ILE A 34 1.353 14.039 1.285 1.00 0.00 C ATOM 501 CG1 ILE A 34 0.194 14.418 0.360 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.895 13.863 2.735 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.163 13.259 -0.573 1.00 0.00 C ATOM 0 H ILE A 34 1.704 16.948 0.721 1.00 0.00 H new ATOM 0 HA ILE A 34 3.238 14.740 1.910 1.00 0.00 H new ATOM 0 HB ILE A 34 1.733 13.075 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.677 14.692 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.466 15.294 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.089 13.131 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.732 13.515 3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.538 14.817 3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.989 13.554 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.703 13.004 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.457 12.393 0.019 1.00 0.00 H new ATOM 515 N SER A 35 4.118 14.193 -0.358 1.00 0.00 N ATOM 516 CA SER A 35 4.850 14.111 -1.611 1.00 0.00 C ATOM 517 C SER A 35 4.459 12.837 -2.363 1.00 0.00 C ATOM 518 O SER A 35 4.224 11.797 -1.750 1.00 0.00 O ATOM 519 CB SER A 35 6.360 14.143 -1.370 1.00 0.00 C ATOM 520 OG SER A 35 7.077 14.564 -2.528 1.00 0.00 O ATOM 0 H SER A 35 4.399 13.510 0.345 1.00 0.00 H new ATOM 0 HA SER A 35 4.588 14.978 -2.217 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.581 14.817 -0.542 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.701 13.151 -1.073 1.00 0.00 H new ATOM 0 HG SER A 35 8.037 14.573 -2.333 1.00 0.00 H new ATOM 526 N ILE A 36 4.400 12.961 -3.681 1.00 0.00 N ATOM 527 CA ILE A 36 4.042 11.832 -4.523 1.00 0.00 C ATOM 528 C ILE A 36 5.039 11.727 -5.678 1.00 0.00 C ATOM 529 O ILE A 36 5.597 12.732 -6.116 1.00 0.00 O ATOM 530 CB ILE A 36 2.585 11.944 -4.977 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.394 13.133 -5.920 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.640 12.009 -3.775 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.428 12.684 -7.383 1.00 0.00 C ATOM 0 H ILE A 36 4.594 13.826 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 36 4.106 10.901 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 36 2.332 11.044 -5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.443 13.621 -5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.177 13.871 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.611 12.088 -4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.751 11.105 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.884 12.880 -3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.290 13.549 -8.032 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.390 12.218 -7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.629 11.965 -7.562 1.00 0.00 H new ATOM 545 N VAL A 37 5.233 10.500 -6.140 1.00 0.00 N ATOM 546 CA VAL A 37 6.154 10.249 -7.236 1.00 0.00 C ATOM 547 C VAL A 37 5.520 9.256 -8.211 1.00 0.00 C ATOM 548 O VAL A 37 4.711 8.419 -7.812 1.00 0.00 O ATOM 549 CB VAL A 37 7.502 9.774 -6.689 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.918 10.595 -5.467 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.464 8.281 -6.359 1.00 0.00 C ATOM 0 H VAL A 37 4.768 9.669 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 37 6.349 11.168 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 37 8.251 9.927 -7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.879 10.237 -5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.005 11.645 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.167 10.489 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.434 7.969 -5.972 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.697 8.094 -5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.234 7.715 -7.261 1.00 0.00 H new ATOM 561 N SER A 38 5.912 9.380 -9.471 1.00 0.00 N ATOM 562 CA SER A 38 5.393 8.503 -10.506 1.00 0.00 C ATOM 563 C SER A 38 6.447 7.463 -10.888 1.00 0.00 C ATOM 564 O SER A 38 7.645 7.738 -10.832 1.00 0.00 O ATOM 565 CB SER A 38 4.962 9.301 -11.739 1.00 0.00 C ATOM 566 OG SER A 38 4.423 8.461 -12.756 1.00 0.00 O ATOM 0 H SER A 38 6.583 10.075 -9.798 1.00 0.00 H new ATOM 0 HA SER A 38 4.514 7.992 -10.112 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.218 10.043 -11.449 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.818 9.847 -12.135 1.00 0.00 H new ATOM 0 HG SER A 38 4.158 9.007 -13.525 1.00 0.00 H new ATOM 572 N GLY A 39 5.964 6.289 -11.269 1.00 0.00 N ATOM 573 CA GLY A 39 6.850 5.206 -11.661 1.00 0.00 C ATOM 574 C GLY A 39 7.004 5.147 -13.182 1.00 0.00 C ATOM 575 O GLY A 39 6.828 6.153 -13.867 1.00 0.00 O ATOM 0 H GLY A 39 4.970 6.064 -11.314 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.827 5.345 -11.198 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.456 4.258 -11.295 1.00 0.00 H new ATOM 623 N GLY A 43 1.164 3.881 -11.413 1.00 0.00 N ATOM 624 CA GLY A 43 0.320 4.672 -10.533 1.00 0.00 C ATOM 625 C GLY A 43 1.127 5.776 -9.846 1.00 0.00 C ATOM 626 O GLY A 43 2.096 6.283 -10.408 1.00 0.00 O ATOM 0 HA2 GLY A 43 -0.495 5.115 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.133 4.026 -9.781 1.00 0.00 H new ATOM 630 N ILE A 44 0.696 6.116 -8.640 1.00 0.00 N ATOM 631 CA ILE A 44 1.366 7.150 -7.870 1.00 0.00 C ATOM 632 C ILE A 44 1.704 6.607 -6.480 1.00 0.00 C ATOM 633 O ILE A 44 0.914 5.874 -5.888 1.00 0.00 O ATOM 634 CB ILE A 44 0.525 8.428 -7.844 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.216 8.910 -9.263 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.202 9.513 -7.004 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.453 9.532 -9.912 1.00 0.00 C ATOM 0 H ILE A 44 -0.109 5.694 -8.177 1.00 0.00 H new ATOM 0 HA ILE A 44 2.309 7.426 -8.342 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.428 8.200 -7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.134 8.073 -9.867 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.591 9.642 -9.235 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.584 10.411 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.327 9.156 -5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.178 9.746 -7.429 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.206 9.866 -10.920 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.786 10.384 -9.319 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.250 8.790 -9.961 1.00 0.00 H new ATOM 649 N TYR A 45 2.878 6.989 -6.000 1.00 0.00 N ATOM 650 CA TYR A 45 3.330 6.550 -4.691 1.00 0.00 C ATOM 651 C TYR A 45 3.721 7.744 -3.817 1.00 0.00 C ATOM 652 O TYR A 45 4.157 8.775 -4.327 1.00 0.00 O ATOM 653 CB TYR A 45 4.569 5.688 -4.940 1.00 0.00 C ATOM 654 CG TYR A 45 4.315 4.479 -5.842 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.353 4.621 -7.214 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.047 3.245 -5.283 1.00 0.00 C ATOM 657 CE1 TYR A 45 4.113 3.483 -8.063 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.808 2.107 -6.132 1.00 0.00 C ATOM 659 CZ TYR A 45 3.852 2.282 -7.480 1.00 0.00 C ATOM 660 OH TYR A 45 3.626 1.207 -8.282 1.00 0.00 O ATOM 0 H TYR A 45 3.530 7.598 -6.494 1.00 0.00 H new ATOM 0 HA TYR A 45 2.539 6.006 -4.174 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.345 6.307 -5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.955 5.339 -3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.563 5.586 -7.651 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.017 3.134 -4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.140 3.581 -9.138 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.598 1.136 -5.708 1.00 0.00 H new ATOM 0 HH TYR A 45 3.454 0.416 -7.729 1.00 0.00 H new ATOM 670 N VAL A 46 3.552 7.564 -2.515 1.00 0.00 N ATOM 671 CA VAL A 46 3.882 8.613 -1.566 1.00 0.00 C ATOM 672 C VAL A 46 5.398 8.658 -1.368 1.00 0.00 C ATOM 673 O VAL A 46 6.023 7.633 -1.100 1.00 0.00 O ATOM 674 CB VAL A 46 3.115 8.397 -0.260 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.613 9.346 0.832 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.608 8.553 -0.476 1.00 0.00 C ATOM 0 H VAL A 46 3.191 6.707 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 46 3.576 9.586 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 46 3.302 7.376 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.051 9.172 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.672 9.166 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.471 10.378 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.087 8.394 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.395 9.557 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.267 7.819 -1.206 1.00 0.00 H new ATOM 686 N SER A 47 5.946 9.856 -1.508 1.00 0.00 N ATOM 687 CA SER A 47 7.377 10.048 -1.349 1.00 0.00 C ATOM 688 C SER A 47 7.679 10.601 0.046 1.00 0.00 C ATOM 689 O SER A 47 8.804 10.492 0.531 1.00 0.00 O ATOM 690 CB SER A 47 7.930 10.986 -2.423 1.00 0.00 C ATOM 691 OG SER A 47 8.774 11.993 -1.870 1.00 0.00 O ATOM 0 H SER A 47 5.424 10.704 -1.730 1.00 0.00 H new ATOM 0 HA SER A 47 7.866 9.081 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.490 10.406 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.103 11.458 -2.953 1.00 0.00 H new ATOM 0 HG SER A 47 9.108 12.570 -2.588 1.00 0.00 H new ATOM 697 N LYS A 48 6.654 11.184 0.651 1.00 0.00 N ATOM 698 CA LYS A 48 6.795 11.754 1.979 1.00 0.00 C ATOM 699 C LYS A 48 5.440 12.290 2.446 1.00 0.00 C ATOM 700 O LYS A 48 4.508 12.407 1.652 1.00 0.00 O ATOM 701 CB LYS A 48 7.910 12.802 1.997 1.00 0.00 C ATOM 702 CG LYS A 48 8.599 12.846 3.362 1.00 0.00 C ATOM 703 CD LYS A 48 10.081 12.483 3.240 1.00 0.00 C ATOM 704 CE LYS A 48 10.950 13.446 4.051 1.00 0.00 C ATOM 705 NZ LYS A 48 11.217 14.680 3.278 1.00 0.00 N ATOM 0 H LYS A 48 5.723 11.274 0.245 1.00 0.00 H new ATOM 0 HA LYS A 48 7.098 10.987 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.642 12.572 1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.496 13.783 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.499 13.843 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.106 12.154 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.239 11.463 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.381 12.511 2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.450 13.697 4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.891 12.963 4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.808 15.323 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.714 14.437 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.317 15.148 3.050 1.00 0.00 H new ATOM 719 N VAL A 49 5.374 12.601 3.732 1.00 0.00 N ATOM 720 CA VAL A 49 4.149 13.122 4.314 1.00 0.00 C ATOM 721 C VAL A 49 4.497 14.050 5.480 1.00 0.00 C ATOM 722 O VAL A 49 5.024 13.603 6.498 1.00 0.00 O ATOM 723 CB VAL A 49 3.231 11.968 4.723 1.00 0.00 C ATOM 724 CG1 VAL A 49 3.998 10.918 5.530 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.019 12.480 5.502 1.00 0.00 C ATOM 0 H VAL A 49 6.149 12.502 4.387 1.00 0.00 H new ATOM 0 HA VAL A 49 3.600 13.713 3.581 1.00 0.00 H new ATOM 0 HB VAL A 49 2.866 11.492 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.323 10.109 5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.813 10.519 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.405 11.377 6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.384 11.639 5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.356 12.994 6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.452 13.173 4.880 1.00 0.00 H new ATOM 735 N THR A 50 4.188 15.325 5.292 1.00 0.00 N ATOM 736 CA THR A 50 4.462 16.319 6.316 1.00 0.00 C ATOM 737 C THR A 50 3.806 15.918 7.639 1.00 0.00 C ATOM 738 O THR A 50 2.645 15.515 7.663 1.00 0.00 O ATOM 739 CB THR A 50 3.991 17.678 5.792 1.00 0.00 C ATOM 740 OG1 THR A 50 4.756 17.877 4.606 1.00 0.00 O ATOM 741 CG2 THR A 50 4.410 18.833 6.704 1.00 0.00 C ATOM 0 H THR A 50 3.751 15.692 4.447 1.00 0.00 H new ATOM 0 HA THR A 50 5.529 16.386 6.526 1.00 0.00 H new ATOM 0 HB THR A 50 2.906 17.672 5.689 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.513 18.735 4.200 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.051 19.774 6.287 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.981 18.688 7.695 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.497 18.861 6.780 1.00 0.00 H new ATOM 749 N VAL A 51 4.580 16.042 8.707 1.00 0.00 N ATOM 750 CA VAL A 51 4.089 15.697 10.030 1.00 0.00 C ATOM 751 C VAL A 51 3.361 16.902 10.630 1.00 0.00 C ATOM 752 O VAL A 51 3.881 18.017 10.613 1.00 0.00 O ATOM 753 CB VAL A 51 5.243 15.201 10.904 1.00 0.00 C ATOM 754 CG1 VAL A 51 4.789 15.000 12.351 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.847 13.915 10.335 1.00 0.00 C ATOM 0 H VAL A 51 5.543 16.376 8.683 1.00 0.00 H new ATOM 0 HA VAL A 51 3.370 14.880 9.969 1.00 0.00 H new ATOM 0 HB VAL A 51 6.019 15.967 10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.629 14.647 12.950 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.428 15.946 12.754 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.987 14.263 12.382 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.665 13.583 10.974 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.081 13.140 10.294 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.225 14.104 9.330 1.00 0.00 H new ATOM 765 N GLY A 52 2.170 16.637 11.146 1.00 0.00 N ATOM 766 CA GLY A 52 1.366 17.686 11.750 1.00 0.00 C ATOM 767 C GLY A 52 0.386 18.278 10.735 1.00 0.00 C ATOM 768 O GLY A 52 -0.554 18.978 11.110 1.00 0.00 O ATOM 0 H GLY A 52 1.742 15.711 11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.816 17.283 12.600 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.016 18.472 12.134 1.00 0.00 H new ATOM 772 N SER A 53 0.638 17.975 9.470 1.00 0.00 N ATOM 773 CA SER A 53 -0.210 18.468 8.399 1.00 0.00 C ATOM 774 C SER A 53 -1.440 17.570 8.250 1.00 0.00 C ATOM 775 O SER A 53 -1.474 16.464 8.786 1.00 0.00 O ATOM 776 CB SER A 53 0.557 18.541 7.077 1.00 0.00 C ATOM 777 OG SER A 53 0.189 19.682 6.308 1.00 0.00 O ATOM 0 H SER A 53 1.418 17.394 9.163 1.00 0.00 H new ATOM 0 HA SER A 53 -0.533 19.477 8.656 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.627 18.571 7.280 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.368 17.637 6.498 1.00 0.00 H new ATOM 0 HG SER A 53 -0.251 19.392 5.482 1.00 0.00 H new ATOM 783 N ILE A 54 -2.420 18.080 7.518 1.00 0.00 N ATOM 784 CA ILE A 54 -3.648 17.338 7.291 1.00 0.00 C ATOM 785 C ILE A 54 -3.316 15.857 7.097 1.00 0.00 C ATOM 786 O ILE A 54 -3.788 15.007 7.851 1.00 0.00 O ATOM 787 CB ILE A 54 -4.437 17.949 6.131 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.855 19.386 6.449 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.635 17.072 5.761 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.892 19.420 7.572 1.00 0.00 C ATOM 0 H ILE A 54 -2.388 18.998 7.075 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.301 17.407 8.161 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.785 17.989 5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.980 19.967 6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.266 19.855 5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.179 17.529 4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.284 16.084 5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.297 16.978 6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.172 20.453 7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.776 18.859 7.268 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.469 18.972 8.471 1.00 0.00 H new ATOM 802 N ALA A 55 -2.506 15.593 6.082 1.00 0.00 N ATOM 803 CA ALA A 55 -2.106 14.230 5.779 1.00 0.00 C ATOM 804 C ALA A 55 -1.843 13.478 7.086 1.00 0.00 C ATOM 805 O ALA A 55 -2.592 12.572 7.446 1.00 0.00 O ATOM 806 CB ALA A 55 -0.882 14.249 4.861 1.00 0.00 C ATOM 0 H ALA A 55 -2.116 16.300 5.459 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.902 13.705 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.582 13.226 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.129 14.769 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.062 14.766 5.359 1.00 0.00 H new ATOM 812 N HIS A 56 -0.776 13.882 7.759 1.00 0.00 N ATOM 813 CA HIS A 56 -0.405 13.258 9.018 1.00 0.00 C ATOM 814 C HIS A 56 -1.667 12.913 9.811 1.00 0.00 C ATOM 815 O HIS A 56 -1.879 11.756 10.173 1.00 0.00 O ATOM 816 CB HIS A 56 0.563 14.148 9.801 1.00 0.00 C ATOM 817 CG HIS A 56 1.416 13.400 10.797 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.164 13.411 12.158 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.518 12.617 10.616 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.080 12.666 12.759 1.00 0.00 C ATOM 821 NE2 HIS A 56 2.919 12.176 11.802 1.00 0.00 N ATOM 0 H HIS A 56 -0.156 14.634 7.457 1.00 0.00 H new ATOM 0 HA HIS A 56 0.126 12.326 8.824 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.214 14.666 9.097 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.008 14.912 10.329 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.985 12.394 9.668 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.150 12.479 13.820 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.722 11.570 11.970 1.00 0.00 H new ATOM 829 N GLN A 57 -2.471 13.936 10.058 1.00 0.00 N ATOM 830 CA GLN A 57 -3.706 13.755 10.801 1.00 0.00 C ATOM 831 C GLN A 57 -4.507 12.587 10.223 1.00 0.00 C ATOM 832 O GLN A 57 -4.997 11.738 10.966 1.00 0.00 O ATOM 833 CB GLN A 57 -4.536 15.040 10.806 1.00 0.00 C ATOM 834 CG GLN A 57 -3.659 16.259 11.101 1.00 0.00 C ATOM 835 CD GLN A 57 -4.497 17.420 11.639 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.705 17.476 11.477 1.00 0.00 O ATOM 837 NE2 GLN A 57 -3.790 18.342 12.288 1.00 0.00 N ATOM 0 H GLN A 57 -2.291 14.894 9.757 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.454 13.520 11.835 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.025 15.165 9.840 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.324 14.965 11.555 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.892 15.992 11.828 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.143 16.569 10.192 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.781 18.234 12.388 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.257 19.157 12.686 1.00 0.00 H new ATOM 846 N ALA A 58 -4.615 12.581 8.903 1.00 0.00 N ATOM 847 CA ALA A 58 -5.348 11.531 8.217 1.00 0.00 C ATOM 848 C ALA A 58 -4.707 10.178 8.532 1.00 0.00 C ATOM 849 O ALA A 58 -5.407 9.207 8.817 1.00 0.00 O ATOM 850 CB ALA A 58 -5.379 11.826 6.716 1.00 0.00 C ATOM 0 H ALA A 58 -4.207 13.287 8.290 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.381 11.495 8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.929 11.038 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.870 12.784 6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.360 11.867 6.332 1.00 0.00 H new ATOM 856 N GLY A 59 -3.384 10.157 8.469 1.00 0.00 N ATOM 857 CA GLY A 59 -2.641 8.939 8.744 1.00 0.00 C ATOM 858 C GLY A 59 -2.038 8.363 7.461 1.00 0.00 C ATOM 859 O GLY A 59 -2.137 7.163 7.208 1.00 0.00 O ATOM 0 H GLY A 59 -2.807 10.964 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.847 9.147 9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.300 8.202 9.203 1.00 0.00 H new ATOM 863 N LEU A 60 -1.426 9.246 6.685 1.00 0.00 N ATOM 864 CA LEU A 60 -0.807 8.840 5.434 1.00 0.00 C ATOM 865 C LEU A 60 0.616 8.351 5.710 1.00 0.00 C ATOM 866 O LEU A 60 1.238 8.759 6.690 1.00 0.00 O ATOM 867 CB LEU A 60 -0.881 9.973 4.408 1.00 0.00 C ATOM 868 CG LEU A 60 -2.175 10.060 3.597 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.191 11.315 2.722 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.397 8.788 2.778 1.00 0.00 C ATOM 0 H LEU A 60 -1.346 10.240 6.898 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.351 8.005 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.739 10.919 4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.047 9.863 3.714 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.009 10.143 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.122 11.352 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.115 12.200 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.348 11.288 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.324 8.877 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.563 8.648 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.462 7.931 3.448 1.00 0.00 H new ATOM 882 N GLU A 61 1.091 7.484 4.828 1.00 0.00 N ATOM 883 CA GLU A 61 2.429 6.935 4.964 1.00 0.00 C ATOM 884 C GLU A 61 3.067 6.743 3.586 1.00 0.00 C ATOM 885 O GLU A 61 2.374 6.758 2.570 1.00 0.00 O ATOM 886 CB GLU A 61 2.406 5.620 5.745 1.00 0.00 C ATOM 887 CG GLU A 61 1.641 4.540 4.977 1.00 0.00 C ATOM 888 CD GLU A 61 0.678 3.790 5.899 1.00 0.00 C ATOM 889 OE1 GLU A 61 -0.173 4.473 6.508 1.00 0.00 O ATOM 890 OE2 GLU A 61 0.815 2.549 5.975 1.00 0.00 O ATOM 0 H GLU A 61 0.573 7.148 4.016 1.00 0.00 H new ATOM 0 HA GLU A 61 3.035 7.644 5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.427 5.285 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.940 5.779 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.085 4.996 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.345 3.837 4.532 1.00 0.00 H new ATOM 897 N TYR A 62 4.380 6.568 3.596 1.00 0.00 N ATOM 898 CA TYR A 62 5.118 6.373 2.360 1.00 0.00 C ATOM 899 C TYR A 62 5.005 4.927 1.875 1.00 0.00 C ATOM 900 O TYR A 62 4.776 4.018 2.672 1.00 0.00 O ATOM 901 CB TYR A 62 6.582 6.674 2.691 1.00 0.00 C ATOM 902 CG TYR A 62 7.536 6.499 1.508 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.794 5.238 1.010 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.138 7.603 0.939 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.693 5.074 -0.103 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.037 7.438 -0.174 1.00 0.00 C ATOM 907 CZ TYR A 62 9.269 6.182 -0.640 1.00 0.00 C ATOM 908 OH TYR A 62 10.118 6.027 -1.692 1.00 0.00 O ATOM 0 H TYR A 62 4.952 6.557 4.441 1.00 0.00 H new ATOM 0 HA TYR A 62 4.725 7.018 1.574 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.658 7.698 3.057 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.902 6.020 3.502 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.322 4.375 1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.935 8.590 1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.905 4.093 -0.502 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.516 8.293 -0.628 1.00 0.00 H new ATOM 0 HH TYR A 62 10.454 6.904 -1.973 1.00 0.00 H new ATOM 918 N GLY A 63 5.170 4.758 0.571 1.00 0.00 N ATOM 919 CA GLY A 63 5.089 3.438 -0.029 1.00 0.00 C ATOM 920 C GLY A 63 3.634 2.982 -0.158 1.00 0.00 C ATOM 921 O GLY A 63 3.362 1.898 -0.671 1.00 0.00 O ATOM 0 H GLY A 63 5.360 5.514 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.558 3.453 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.645 2.724 0.578 1.00 0.00 H new ATOM 925 N ASP A 64 2.737 3.834 0.317 1.00 0.00 N ATOM 926 CA ASP A 64 1.316 3.533 0.262 1.00 0.00 C ATOM 927 C ASP A 64 0.759 3.971 -1.094 1.00 0.00 C ATOM 928 O ASP A 64 0.302 5.102 -1.245 1.00 0.00 O ATOM 929 CB ASP A 64 0.551 4.284 1.353 1.00 0.00 C ATOM 930 CG ASP A 64 -0.029 3.403 2.460 1.00 0.00 C ATOM 931 OD1 ASP A 64 0.472 2.266 2.601 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.960 3.885 3.141 1.00 0.00 O ATOM 0 H ASP A 64 2.967 4.733 0.742 1.00 0.00 H new ATOM 0 HA ASP A 64 1.192 2.460 0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.219 5.017 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.263 4.840 0.888 1.00 0.00 H new ATOM 937 N GLN A 65 0.816 3.051 -2.046 1.00 0.00 N ATOM 938 CA GLN A 65 0.323 3.328 -3.385 1.00 0.00 C ATOM 939 C GLN A 65 -1.075 3.946 -3.318 1.00 0.00 C ATOM 940 O GLN A 65 -1.942 3.453 -2.597 1.00 0.00 O ATOM 941 CB GLN A 65 0.321 2.061 -4.242 1.00 0.00 C ATOM 942 CG GLN A 65 0.330 2.407 -5.732 1.00 0.00 C ATOM 943 CD GLN A 65 -0.521 1.416 -6.530 1.00 0.00 C ATOM 944 OE1 GLN A 65 -0.764 0.294 -6.117 1.00 0.00 O ATOM 945 NE2 GLN A 65 -0.957 1.891 -7.693 1.00 0.00 N ATOM 0 H GLN A 65 1.196 2.113 -1.917 1.00 0.00 H new ATOM 0 HA GLN A 65 0.995 4.045 -3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.193 1.453 -4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.559 1.462 -4.009 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.051 3.418 -5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.354 2.396 -6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.717 2.840 -7.979 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.532 1.306 -8.300 1.00 0.00 H new ATOM 954 N LEU A 66 -1.251 5.017 -4.078 1.00 0.00 N ATOM 955 CA LEU A 66 -2.529 5.708 -4.114 1.00 0.00 C ATOM 956 C LEU A 66 -3.410 5.085 -5.199 1.00 0.00 C ATOM 957 O LEU A 66 -3.099 5.178 -6.386 1.00 0.00 O ATOM 958 CB LEU A 66 -2.319 7.214 -4.282 1.00 0.00 C ATOM 959 CG LEU A 66 -1.152 7.819 -3.501 1.00 0.00 C ATOM 960 CD1 LEU A 66 -0.844 9.237 -3.986 1.00 0.00 C ATOM 961 CD2 LEU A 66 -1.418 7.775 -1.995 1.00 0.00 C ATOM 0 H LEU A 66 -0.530 5.423 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.055 5.587 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.169 7.424 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.234 7.724 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.265 7.214 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.010 9.644 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.580 9.211 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.722 9.868 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.572 8.211 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.321 8.342 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.550 6.740 -1.679 1.00 0.00 H new ATOM 973 N LEU A 67 -4.492 4.463 -4.753 1.00 0.00 N ATOM 974 CA LEU A 67 -5.420 3.825 -5.671 1.00 0.00 C ATOM 975 C LEU A 67 -6.372 4.878 -6.241 1.00 0.00 C ATOM 976 O LEU A 67 -6.277 5.237 -7.414 1.00 0.00 O ATOM 977 CB LEU A 67 -6.133 2.657 -4.987 1.00 0.00 C ATOM 978 CG LEU A 67 -5.361 1.337 -4.936 1.00 0.00 C ATOM 979 CD1 LEU A 67 -6.219 0.223 -4.332 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.825 0.962 -6.319 1.00 0.00 C ATOM 0 H LEU A 67 -4.746 4.387 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.883 3.390 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.376 2.953 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.078 2.483 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.499 1.470 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.647 -0.704 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.510 0.497 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.113 0.082 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.280 0.020 -6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.657 0.853 -7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.155 1.745 -6.674 1.00 0.00 H new ATOM 992 N GLU A 68 -7.269 5.344 -5.384 1.00 0.00 N ATOM 993 CA GLU A 68 -8.238 6.349 -5.787 1.00 0.00 C ATOM 994 C GLU A 68 -8.337 7.447 -4.726 1.00 0.00 C ATOM 995 O GLU A 68 -8.353 7.159 -3.530 1.00 0.00 O ATOM 996 CB GLU A 68 -9.605 5.717 -6.052 1.00 0.00 C ATOM 997 CG GLU A 68 -9.557 4.796 -7.272 1.00 0.00 C ATOM 998 CD GLU A 68 -10.670 3.748 -7.213 1.00 0.00 C ATOM 999 OE1 GLU A 68 -10.452 2.727 -6.526 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -11.713 3.991 -7.856 1.00 0.00 O ATOM 0 H GLU A 68 -7.345 5.044 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.897 6.801 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.923 5.151 -5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.346 6.500 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.657 5.387 -8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.588 4.300 -7.319 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.401 8.682 -5.201 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.499 9.824 -4.308 1.00 0.00 C ATOM 1009 C PHE A 69 -9.911 10.412 -4.322 1.00 0.00 C ATOM 1010 O PHE A 69 -10.262 11.171 -5.223 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.515 10.878 -4.821 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.540 12.188 -4.031 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.416 13.171 -4.373 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.687 12.370 -2.988 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.440 14.387 -3.640 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.710 13.587 -2.256 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.586 14.569 -2.597 1.00 0.00 C ATOM 0 H PHE A 69 -8.387 8.917 -6.193 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.272 9.518 -3.287 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.507 10.465 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.739 11.091 -5.866 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.093 13.027 -5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.992 11.589 -2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.136 15.167 -3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.031 13.732 -1.428 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.604 15.494 -2.040 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.683 10.038 -3.312 1.00 0.00 N ATOM 1028 CA ASN A 70 -12.049 10.519 -3.197 1.00 0.00 C ATOM 1029 C ASN A 70 -12.830 10.131 -4.454 1.00 0.00 C ATOM 1030 O ASN A 70 -13.888 10.694 -4.730 1.00 0.00 O ATOM 1031 CB ASN A 70 -12.088 12.043 -3.067 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.936 12.470 -1.867 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.510 11.658 -1.160 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.981 13.785 -1.678 1.00 0.00 N ATOM 0 H ASN A 70 -10.388 9.408 -2.566 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.490 10.070 -2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.074 12.428 -2.956 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.496 12.479 -3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.520 14.171 -0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.476 14.408 -2.308 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.277 9.173 -5.184 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.908 8.704 -6.405 1.00 0.00 C ATOM 1043 C GLY A 71 -11.931 8.758 -7.582 1.00 0.00 C ATOM 1044 O GLY A 71 -11.848 7.815 -8.368 1.00 0.00 O ATOM 0 H GLY A 71 -11.399 8.709 -4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.261 7.682 -6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.783 9.316 -6.625 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.217 9.871 -7.667 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.250 10.060 -8.734 1.00 0.00 C ATOM 1050 C ILE A 72 -9.327 8.841 -8.802 1.00 0.00 C ATOM 1051 O ILE A 72 -8.770 8.422 -7.788 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.506 11.385 -8.555 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.359 12.561 -9.035 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.142 11.346 -9.247 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.277 13.734 -8.056 1.00 0.00 C ATOM 0 H ILE A 72 -11.289 10.651 -7.014 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.755 10.132 -9.697 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.323 11.533 -7.491 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -10.021 12.881 -10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.396 12.243 -9.141 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.634 12.300 -9.104 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.539 10.546 -8.818 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.280 11.164 -10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.892 14.556 -8.421 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.638 13.417 -7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.242 14.065 -7.971 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.193 8.307 -10.007 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.347 7.145 -10.220 1.00 0.00 C ATOM 1069 C ASN A 73 -6.892 7.597 -10.356 1.00 0.00 C ATOM 1070 O ASN A 73 -6.560 8.374 -11.249 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.735 6.409 -11.505 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.234 4.964 -11.482 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -8.346 4.256 -10.495 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -7.677 4.567 -12.622 1.00 0.00 N ATOM 0 H ASN A 73 -9.656 8.657 -10.846 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.473 6.476 -9.369 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.819 6.420 -11.621 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.316 6.929 -12.367 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.312 3.619 -12.708 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.615 5.211 -13.411 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.062 7.090 -9.456 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.650 7.431 -9.463 1.00 0.00 C ATOM 1083 C LEU A 74 -3.909 6.498 -10.423 1.00 0.00 C ATOM 1084 O LEU A 74 -3.020 6.932 -11.154 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.089 7.422 -8.040 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.214 8.732 -7.260 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -3.447 9.859 -7.955 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -5.683 9.095 -7.031 1.00 0.00 C ATOM 0 H LEU A 74 -6.341 6.445 -8.717 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.505 8.447 -9.831 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.594 6.638 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.034 7.151 -8.088 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.760 8.591 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.552 10.779 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.392 9.593 -8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.849 10.009 -8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.744 10.030 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.183 9.212 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.169 8.302 -6.463 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.303 5.234 -10.390 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.687 4.236 -11.248 1.00 0.00 C ATOM 1102 C ARG A 75 -3.382 4.833 -12.623 1.00 0.00 C ATOM 1103 O ARG A 75 -2.373 4.496 -13.240 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.598 3.018 -11.419 1.00 0.00 C ATOM 1105 CG ARG A 75 -4.119 1.849 -10.556 1.00 0.00 C ATOM 1106 CD ARG A 75 -5.050 0.644 -10.701 1.00 0.00 C ATOM 1107 NE ARG A 75 -4.713 -0.112 -11.928 1.00 0.00 N ATOM 1108 CZ ARG A 75 -5.220 0.157 -13.139 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -6.090 1.165 -13.292 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -4.857 -0.581 -14.196 1.00 0.00 N ATOM 0 H ARG A 75 -5.041 4.878 -9.783 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.759 3.918 -10.773 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.619 3.282 -11.145 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.616 2.718 -12.467 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.107 1.568 -10.847 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.077 2.157 -9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.959 -0.003 -9.829 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.087 0.978 -10.743 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.054 -0.886 -11.847 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.366 1.727 -12.487 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.476 1.370 -14.214 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.195 -1.348 -14.079 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.243 -0.376 -15.118 1.00 0.00 H new ATOM 1124 N SER A 76 -4.272 5.710 -13.062 1.00 0.00 N ATOM 1125 CA SER A 76 -4.111 6.357 -14.353 1.00 0.00 C ATOM 1126 C SER A 76 -3.980 7.870 -14.167 1.00 0.00 C ATOM 1127 O SER A 76 -4.763 8.638 -14.725 1.00 0.00 O ATOM 1128 CB SER A 76 -5.284 6.036 -15.281 1.00 0.00 C ATOM 1129 OG SER A 76 -4.999 4.937 -16.142 1.00 0.00 O ATOM 0 H SER A 76 -5.107 5.988 -12.547 1.00 0.00 H new ATOM 0 HA SER A 76 -3.202 5.974 -14.816 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.167 5.809 -14.684 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.522 6.914 -15.881 1.00 0.00 H new ATOM 0 HG SER A 76 -5.773 4.763 -16.717 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.985 8.254 -13.381 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.741 9.661 -13.114 1.00 0.00 C ATOM 1137 C ALA A 77 -1.249 9.956 -13.277 1.00 0.00 C ATOM 1138 O ALA A 77 -0.449 9.042 -13.471 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.256 10.013 -11.717 1.00 0.00 C ATOM 0 H ALA A 77 -2.338 7.614 -12.920 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.280 10.285 -13.827 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.073 11.069 -11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.326 9.814 -11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.736 9.408 -10.974 1.00 0.00 H new ATOM 1145 N THR A 78 -0.919 11.237 -13.194 1.00 0.00 N ATOM 1146 CA THR A 78 0.463 11.664 -13.329 1.00 0.00 C ATOM 1147 C THR A 78 0.895 12.472 -12.104 1.00 0.00 C ATOM 1148 O THR A 78 0.077 13.148 -11.482 1.00 0.00 O ATOM 1149 CB THR A 78 0.592 12.436 -14.644 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.565 13.266 -14.673 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.437 11.536 -15.870 1.00 0.00 C ATOM 0 H THR A 78 -1.585 11.993 -13.035 1.00 0.00 H new ATOM 0 HA THR A 78 1.139 10.810 -13.369 1.00 0.00 H new ATOM 0 HB THR A 78 1.562 12.932 -14.680 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.859 13.385 -15.600 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.537 12.134 -16.776 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.209 10.766 -15.856 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.546 11.065 -15.853 1.00 0.00 H new ATOM 1159 N GLU A 79 2.179 12.375 -11.794 1.00 0.00 N ATOM 1160 CA GLU A 79 2.730 13.089 -10.654 1.00 0.00 C ATOM 1161 C GLU A 79 2.215 14.530 -10.631 1.00 0.00 C ATOM 1162 O GLU A 79 1.936 15.076 -9.565 1.00 0.00 O ATOM 1163 CB GLU A 79 4.259 13.053 -10.671 1.00 0.00 C ATOM 1164 CG GLU A 79 4.794 13.137 -12.102 1.00 0.00 C ATOM 1165 CD GLU A 79 6.241 13.634 -12.118 1.00 0.00 C ATOM 1166 OE1 GLU A 79 7.139 12.770 -12.017 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.416 14.866 -12.231 1.00 0.00 O ATOM 0 H GLU A 79 2.854 11.813 -12.312 1.00 0.00 H new ATOM 0 HA GLU A 79 2.398 12.591 -9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.652 13.882 -10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.610 12.134 -10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.737 12.156 -12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.168 13.809 -12.689 1.00 0.00 H new ATOM 1174 N GLN A 80 2.105 15.104 -11.820 1.00 0.00 N ATOM 1175 CA GLN A 80 1.629 16.471 -11.950 1.00 0.00 C ATOM 1176 C GLN A 80 0.160 16.563 -11.534 1.00 0.00 C ATOM 1177 O GLN A 80 -0.251 17.536 -10.905 1.00 0.00 O ATOM 1178 CB GLN A 80 1.829 16.987 -13.377 1.00 0.00 C ATOM 1179 CG GLN A 80 1.364 15.953 -14.404 1.00 0.00 C ATOM 1180 CD GLN A 80 2.538 15.455 -15.250 1.00 0.00 C ATOM 1181 OE1 GLN A 80 3.519 14.930 -14.748 1.00 0.00 O ATOM 1182 NE2 GLN A 80 2.383 15.646 -16.557 1.00 0.00 N ATOM 0 H GLN A 80 2.337 14.648 -12.702 1.00 0.00 H new ATOM 0 HA GLN A 80 2.215 17.105 -11.284 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.274 17.915 -13.513 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.882 17.218 -13.540 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.897 15.111 -13.892 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.606 16.393 -15.051 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.536 16.092 -16.910 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.111 15.346 -17.206 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.592 15.536 -11.903 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.007 15.489 -11.576 1.00 0.00 C ATOM 1193 C GLN A 81 -2.200 15.093 -10.111 1.00 0.00 C ATOM 1194 O GLN A 81 -2.863 15.802 -9.355 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.753 14.530 -12.506 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.552 15.299 -13.560 1.00 0.00 C ATOM 1197 CD GLN A 81 -2.875 15.217 -14.929 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -3.433 14.729 -15.898 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -1.644 15.721 -14.955 1.00 0.00 N ATOM 0 H GLN A 81 -0.248 14.730 -12.425 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.427 16.484 -11.722 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.041 13.866 -12.997 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.425 13.901 -11.922 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.561 14.892 -13.625 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.647 16.342 -13.259 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.236 16.115 -14.107 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.108 15.714 -15.823 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.609 13.962 -9.753 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.708 13.464 -8.392 1.00 0.00 C ATOM 1210 C ALA A 82 -1.441 14.609 -7.414 1.00 0.00 C ATOM 1211 O ALA A 82 -2.125 14.737 -6.400 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.736 12.297 -8.204 1.00 0.00 C ATOM 0 H ALA A 82 -1.060 13.377 -10.382 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.711 13.088 -8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.810 11.923 -7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.987 11.498 -8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.282 12.637 -8.393 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.443 15.413 -7.752 1.00 0.00 N ATOM 1219 CA ARG A 83 -0.077 16.543 -6.915 1.00 0.00 C ATOM 1220 C ARG A 83 -1.209 17.572 -6.887 1.00 0.00 C ATOM 1221 O ARG A 83 -1.432 18.227 -5.871 1.00 0.00 O ATOM 1222 CB ARG A 83 1.201 17.214 -7.425 1.00 0.00 C ATOM 1223 CG ARG A 83 2.443 16.441 -6.977 1.00 0.00 C ATOM 1224 CD ARG A 83 3.701 16.983 -7.658 1.00 0.00 C ATOM 1225 NE ARG A 83 4.545 17.693 -6.670 1.00 0.00 N ATOM 1226 CZ ARG A 83 5.654 18.377 -6.983 1.00 0.00 C ATOM 1227 NH1 ARG A 83 6.060 18.447 -8.258 1.00 0.00 N ATOM 1228 NH2 ARG A 83 6.357 18.990 -6.021 1.00 0.00 N ATOM 0 H ARG A 83 0.123 15.304 -8.594 1.00 0.00 H new ATOM 0 HA ARG A 83 0.100 16.166 -5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.177 17.271 -8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.252 18.237 -7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.551 16.514 -5.895 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.323 15.384 -7.215 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.263 16.164 -8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.424 17.660 -8.466 1.00 0.00 H new ATOM 0 HE ARG A 83 4.265 17.659 -5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.525 17.980 -8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.904 18.968 -8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.048 18.936 -5.050 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.201 19.511 -6.259 1.00 0.00 H new ATOM 1242 N LEU A 84 -1.894 17.682 -8.016 1.00 0.00 N ATOM 1243 CA LEU A 84 -2.997 18.620 -8.134 1.00 0.00 C ATOM 1244 C LEU A 84 -4.235 18.031 -7.454 1.00 0.00 C ATOM 1245 O LEU A 84 -4.984 18.749 -6.792 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.222 19.001 -9.599 1.00 0.00 C ATOM 1247 CG LEU A 84 -2.229 20.002 -10.191 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -2.101 19.818 -11.705 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -2.608 21.437 -9.819 1.00 0.00 C ATOM 0 H LEU A 84 -1.706 17.137 -8.857 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.762 19.552 -7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.192 18.092 -10.199 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.226 19.414 -9.696 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.248 19.805 -9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.389 20.542 -12.101 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.750 18.809 -11.920 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.073 19.972 -12.174 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.885 22.128 -10.253 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.602 21.662 -10.205 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.607 21.544 -8.734 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.413 16.732 -7.642 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.547 16.039 -7.055 1.00 0.00 C ATOM 1263 C ILE A 85 -5.449 16.109 -5.530 1.00 0.00 C ATOM 1264 O ILE A 85 -6.302 16.707 -4.876 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.645 14.613 -7.601 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -5.705 14.614 -9.130 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -6.830 13.869 -6.981 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.350 13.236 -9.693 1.00 0.00 C ATOM 0 H ILE A 85 -3.791 16.141 -8.193 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.480 16.528 -7.337 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.741 14.075 -7.315 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.705 14.898 -9.458 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.016 15.361 -9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.877 12.858 -7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.704 13.821 -5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.754 14.397 -7.215 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.400 13.264 -10.781 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.341 12.965 -9.383 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.056 12.496 -9.316 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.401 15.489 -5.008 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.179 15.474 -3.572 1.00 0.00 C ATOM 1282 C ILE A 86 -4.207 16.908 -3.040 1.00 0.00 C ATOM 1283 O ILE A 86 -4.491 17.133 -1.865 1.00 0.00 O ATOM 1284 CB ILE A 86 -2.892 14.718 -3.237 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.661 15.495 -3.708 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -2.926 13.298 -3.805 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.475 14.556 -3.938 1.00 0.00 C ATOM 0 H ILE A 86 -3.696 14.993 -5.554 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.980 14.932 -3.069 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.821 14.629 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.893 16.026 -4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.395 16.247 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.999 12.783 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.770 12.756 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.033 13.342 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.387 15.134 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.230 14.044 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.736 13.820 -4.699 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.906 17.841 -3.931 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.893 19.248 -3.566 1.00 0.00 C ATOM 1301 C GLY A 87 -5.252 19.897 -3.836 1.00 0.00 C ATOM 1302 O GLY A 87 -5.363 21.122 -3.870 1.00 0.00 O ATOM 0 H GLY A 87 -3.669 17.651 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.640 19.351 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.119 19.767 -4.132 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.251 19.048 -4.021 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.598 19.524 -4.287 1.00 0.00 C ATOM 1308 C GLN A 88 -8.151 20.261 -3.066 1.00 0.00 C ATOM 1309 O GLN A 88 -7.438 20.467 -2.085 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.517 18.370 -4.693 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.228 17.916 -6.125 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.338 18.364 -7.078 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.501 18.451 -6.720 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -8.916 18.644 -8.307 1.00 0.00 N ATOM 0 H GLN A 88 -6.155 18.033 -3.992 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.557 20.224 -5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.380 17.533 -4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.558 18.683 -4.610 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.274 18.326 -6.455 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.135 16.830 -6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.928 18.550 -8.541 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.581 18.953 -9.016 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.417 20.639 -3.165 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.074 21.349 -2.081 1.00 0.00 C ATOM 1325 C GLN A 89 -11.375 20.643 -1.696 1.00 0.00 C ATOM 1326 O GLN A 89 -12.242 20.426 -2.541 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.333 22.808 -2.460 1.00 0.00 C ATOM 1328 CG GLN A 89 -9.156 23.389 -3.246 1.00 0.00 C ATOM 1329 CD GLN A 89 -9.528 23.601 -4.715 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -10.029 24.640 -5.111 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -9.257 22.560 -5.497 1.00 0.00 N ATOM 0 H GLN A 89 -10.006 20.467 -3.980 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.412 21.345 -1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.242 22.876 -3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.499 23.397 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.852 24.338 -2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.301 22.717 -3.177 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.837 21.720 -5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.469 22.602 -6.494 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.471 20.303 -0.418 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.652 19.626 0.089 1.00 0.00 C ATOM 1342 C CYS A 90 -12.501 19.468 1.604 1.00 0.00 C ATOM 1343 O CYS A 90 -11.519 18.898 2.077 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.876 18.282 -0.605 1.00 0.00 C ATOM 1345 SG CYS A 90 -14.304 18.395 -1.744 1.00 0.00 S ATOM 0 H CYS A 90 -10.750 20.484 0.281 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.538 20.223 -0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.981 17.995 -1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -13.054 17.505 0.138 1.00 0.00 H new ATOM 0 HG CYS A 90 -14.076 19.313 -2.636 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.489 19.983 2.322 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.478 19.906 3.773 1.00 0.00 C ATOM 1353 C ASP A 91 -13.051 18.501 4.201 1.00 0.00 C ATOM 1354 O ASP A 91 -12.116 18.344 4.985 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.870 20.174 4.349 1.00 0.00 C ATOM 1356 CG ASP A 91 -15.242 21.652 4.480 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -15.268 22.326 3.428 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -15.493 22.074 5.629 1.00 0.00 O ATOM 0 H ASP A 91 -14.302 20.455 1.926 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.783 20.658 4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.609 19.684 3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.935 19.710 5.333 1.00 0.00 H new ATOM 1363 N THR A 92 -13.757 17.514 3.669 1.00 0.00 N ATOM 1364 CA THR A 92 -13.463 16.127 3.987 1.00 0.00 C ATOM 1365 C THR A 92 -13.351 15.299 2.705 1.00 0.00 C ATOM 1366 O THR A 92 -14.290 15.244 1.913 1.00 0.00 O ATOM 1367 CB THR A 92 -14.544 15.622 4.944 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.522 16.559 6.018 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.169 14.292 5.602 1.00 0.00 C ATOM 0 H THR A 92 -14.532 17.647 3.020 1.00 0.00 H new ATOM 0 HA THR A 92 -12.498 16.031 4.485 1.00 0.00 H new ATOM 0 HB THR A 92 -15.483 15.507 4.403 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.195 16.308 6.685 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.970 13.979 6.271 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.022 13.534 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.248 14.415 6.171 1.00 0.00 H new ATOM 1377 N ILE A 93 -12.194 14.674 2.542 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.947 13.850 1.371 1.00 0.00 C ATOM 1379 C ILE A 93 -11.404 12.491 1.813 1.00 0.00 C ATOM 1380 O ILE A 93 -10.701 12.397 2.819 1.00 0.00 O ATOM 1381 CB ILE A 93 -11.038 14.584 0.382 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -10.166 13.597 -0.396 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -10.203 15.650 1.093 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.960 13.157 0.435 1.00 0.00 C ATOM 0 H ILE A 93 -11.417 14.722 3.201 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.877 13.662 0.835 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.667 15.099 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.758 12.725 -0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.825 14.060 -1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.566 16.157 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.865 16.376 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.582 15.178 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.357 12.456 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.357 14.028 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.305 12.673 1.349 1.00 0.00 H new ATOM 1396 N THR A 94 -11.750 11.471 1.041 1.00 0.00 N ATOM 1397 CA THR A 94 -11.305 10.120 1.342 1.00 0.00 C ATOM 1398 C THR A 94 -10.251 9.669 0.329 1.00 0.00 C ATOM 1399 O THR A 94 -10.175 10.206 -0.775 1.00 0.00 O ATOM 1400 CB THR A 94 -12.538 9.215 1.381 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.538 10.016 2.004 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.363 8.029 2.332 1.00 0.00 C ATOM 0 H THR A 94 -12.333 11.553 0.208 1.00 0.00 H new ATOM 0 HA THR A 94 -10.817 10.070 2.315 1.00 0.00 H new ATOM 0 HB THR A 94 -12.750 8.847 0.377 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.373 9.506 2.068 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.266 7.419 2.322 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.514 7.426 2.009 1.00 0.00 H new ATOM 0 HG23 THR A 94 -12.184 8.396 3.343 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.464 8.686 0.742 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.418 8.155 -0.116 1.00 0.00 C ATOM 1412 C ILE A 95 -8.368 6.633 0.029 1.00 0.00 C ATOM 1413 O ILE A 95 -8.638 6.099 1.104 1.00 0.00 O ATOM 1414 CB ILE A 95 -7.084 8.845 0.178 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -7.040 10.242 -0.444 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.907 7.978 -0.275 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -6.152 11.180 0.378 1.00 0.00 C ATOM 0 H ILE A 95 -9.530 8.244 1.659 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.638 8.368 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.995 8.971 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.662 10.178 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.049 10.650 -0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.971 8.491 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.932 7.025 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.979 7.799 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.138 12.166 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.547 11.261 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.138 10.782 0.415 1.00 0.00 H new ATOM 1429 N LEU A 96 -8.021 5.977 -1.069 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.933 4.527 -1.077 1.00 0.00 C ATOM 1431 C LEU A 96 -6.479 4.110 -1.307 1.00 0.00 C ATOM 1432 O LEU A 96 -5.915 4.370 -2.369 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.910 3.937 -2.096 1.00 0.00 C ATOM 1434 CG LEU A 96 -9.120 2.423 -2.025 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -8.027 1.681 -2.797 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.218 1.951 -0.573 1.00 0.00 C ATOM 0 H LEU A 96 -7.798 6.423 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.232 4.122 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.876 4.424 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.557 4.188 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.070 2.187 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.200 0.607 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.048 1.988 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.053 1.919 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.367 0.871 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.297 2.201 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.060 2.444 -0.086 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.913 3.471 -0.293 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.535 3.016 -0.371 1.00 0.00 C ATOM 1450 C ALA A 97 -4.504 1.487 -0.323 1.00 0.00 C ATOM 1451 O ALA A 97 -5.543 0.846 -0.172 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.723 3.651 0.759 1.00 0.00 C ATOM 0 H ALA A 97 -6.384 3.258 0.586 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.081 3.326 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.689 3.310 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.753 4.736 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.147 3.360 1.720 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.302 0.947 -0.455 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.122 -0.495 -0.429 1.00 0.00 C ATOM 1460 C GLN A 98 -1.635 -0.843 -0.334 1.00 0.00 C ATOM 1461 O GLN A 98 -0.962 -0.992 -1.353 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.761 -1.150 -1.655 1.00 0.00 C ATOM 1463 CG GLN A 98 -4.198 -2.583 -1.346 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.821 -3.244 -2.577 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -4.934 -2.655 -3.639 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -5.219 -4.497 -2.375 1.00 0.00 N ATOM 0 H GLN A 98 -2.443 1.482 -0.580 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.624 -0.888 0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.622 -0.565 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.051 -1.153 -2.482 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.339 -3.165 -1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.918 -2.579 -0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.094 -4.930 -1.460 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.649 -5.024 -3.135 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.165 -0.962 0.899 1.00 0.00 N ATOM 1476 CA TYR A 99 0.230 -1.289 1.140 1.00 0.00 C ATOM 1477 C TYR A 99 0.733 -2.321 0.129 1.00 0.00 C ATOM 1478 O TYR A 99 0.051 -3.305 -0.152 1.00 0.00 O ATOM 1479 CB TYR A 99 0.284 -1.899 2.542 1.00 0.00 C ATOM 1480 CG TYR A 99 1.696 -2.250 3.014 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.523 -1.264 3.513 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.143 -3.554 2.942 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.852 -1.595 3.957 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.473 -3.884 3.386 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.261 -2.889 3.871 1.00 0.00 C ATOM 1486 OH TYR A 99 5.517 -3.201 4.291 1.00 0.00 O ATOM 0 H TYR A 99 -1.726 -0.838 1.742 1.00 0.00 H new ATOM 0 HA TYR A 99 0.854 -0.400 1.046 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.161 -1.199 3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.328 -2.801 2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.173 -0.244 3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.496 -4.326 2.553 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.509 -0.833 4.349 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.836 -4.900 3.335 1.00 0.00 H new ATOM 0 HH TYR A 99 5.673 -4.161 4.172 1.00 0.00 H new ATOM 1496 N ASN A 100 1.924 -2.061 -0.390 1.00 0.00 N ATOM 1497 CA ASN A 100 2.527 -2.955 -1.364 1.00 0.00 C ATOM 1498 C ASN A 100 3.928 -3.349 -0.890 1.00 0.00 C ATOM 1499 O ASN A 100 4.855 -2.543 -0.946 1.00 0.00 O ATOM 1500 CB ASN A 100 2.664 -2.273 -2.727 1.00 0.00 C ATOM 1501 CG ASN A 100 1.631 -1.156 -2.888 1.00 0.00 C ATOM 1502 OD1 ASN A 100 1.527 -0.250 -2.077 1.00 0.00 O ATOM 1503 ND2 ASN A 100 0.875 -1.271 -3.976 1.00 0.00 N ATOM 0 H ASN A 100 2.488 -1.244 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 100 1.885 -3.830 -1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.668 -1.862 -2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.535 -3.009 -3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.155 -0.575 -4.173 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.015 -2.055 -4.614 1.00 0.00 H new ATOM 1510 N PRO A 101 4.040 -4.621 -0.423 1.00 0.00 N ATOM 1511 CA PRO A 101 5.311 -5.132 0.061 1.00 0.00 C ATOM 1512 C PRO A 101 6.256 -5.439 -1.103 1.00 0.00 C ATOM 1513 O PRO A 101 6.761 -6.555 -1.219 1.00 0.00 O ATOM 1514 CB PRO A 101 4.956 -6.363 0.878 1.00 0.00 C ATOM 1515 CG PRO A 101 3.555 -6.763 0.442 1.00 0.00 C ATOM 1516 CD PRO A 101 2.963 -5.603 -0.342 1.00 0.00 C ATOM 0 HA PRO A 101 5.850 -4.408 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.666 -7.170 0.698 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.986 -6.145 1.946 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.589 -7.662 -0.173 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.936 -6.993 1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.640 -5.919 -1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.088 -5.191 0.161 1.00 0.00 H new