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 180:sc= 0.838 USER MOD Set 1.2: A 81 GLN : amide:sc= 1.21 K(o=2,f=0.79) USER MOD Set 2.1: A 70 ASN : amide:sc= -6.31! C(o=-7.5!,f=-7.2!) USER MOD Set 2.2: A 90 CYS SG : rot 120:sc= -1.2 USER MOD Set 3.1: A 35 SER OG : rot 170:sc= 0 USER MOD Set 3.2: A 47 SER OG : rot 180:sc= -0.0179 USER MOD Single : A 22 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-2.4) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -103:sc= -1.75! (180deg=-3.69!) USER MOD Single : A 29 SER OG : rot -48:sc= 0.596 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 69:sc= -0.537! USER MOD Single : A 53 SER OG : rot 114:sc= -1.42 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.445 X(o=-0.44,f=-0.56) USER MOD Single : A 73 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.058) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.5!) USER MOD Single : A 88 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 89 GLN : amide:sc= -5.94! C(o=-5.9!,f=-6.4!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.839 K(o=-0.84,f=-1.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.0561 K(o=-0.056,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -2.172 -8.963 -0.853 1.00 0.00 N ATOM 230 CA VAL A 17 -1.627 -7.710 -0.360 1.00 0.00 C ATOM 231 C VAL A 17 -2.627 -7.069 0.604 1.00 0.00 C ATOM 232 O VAL A 17 -3.816 -7.383 0.571 1.00 0.00 O ATOM 233 CB VAL A 17 -1.262 -6.800 -1.534 1.00 0.00 C ATOM 234 CG1 VAL A 17 -2.516 -6.323 -2.269 1.00 0.00 C ATOM 235 CG2 VAL A 17 -0.415 -5.614 -1.067 1.00 0.00 C ATOM 0 HA VAL A 17 -0.706 -7.886 0.196 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.664 -7.382 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.228 -5.678 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.063 -7.184 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.152 -5.766 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.170 -4.983 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.976 -5.032 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.505 -5.981 -0.611 1.00 0.00 H new ATOM 245 N GLU A 18 -2.108 -6.182 1.441 1.00 0.00 N ATOM 246 CA GLU A 18 -2.941 -5.494 2.413 1.00 0.00 C ATOM 247 C GLU A 18 -4.159 -4.874 1.725 1.00 0.00 C ATOM 248 O GLU A 18 -4.031 -3.892 0.995 1.00 0.00 O ATOM 249 CB GLU A 18 -2.139 -4.432 3.168 1.00 0.00 C ATOM 250 CG GLU A 18 -0.906 -5.047 3.834 1.00 0.00 C ATOM 251 CD GLU A 18 -1.161 -5.315 5.318 1.00 0.00 C ATOM 252 OE1 GLU A 18 -1.593 -4.362 6.002 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.919 -6.468 5.736 1.00 0.00 O ATOM 0 H GLU A 18 -1.121 -5.924 1.466 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.292 -6.224 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.831 -3.646 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.770 -3.964 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.644 -5.979 3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.055 -4.375 3.723 1.00 0.00 H new ATOM 260 N GLU A 19 -5.312 -5.474 1.981 1.00 0.00 N ATOM 261 CA GLU A 19 -6.552 -4.993 1.396 1.00 0.00 C ATOM 262 C GLU A 19 -6.562 -3.464 1.355 1.00 0.00 C ATOM 263 O GLU A 19 -5.938 -2.813 2.192 1.00 0.00 O ATOM 264 CB GLU A 19 -7.764 -5.529 2.161 1.00 0.00 C ATOM 265 CG GLU A 19 -7.813 -4.958 3.579 1.00 0.00 C ATOM 266 CD GLU A 19 -6.885 -5.735 4.516 1.00 0.00 C ATOM 267 OE1 GLU A 19 -6.961 -6.982 4.483 1.00 0.00 O ATOM 268 OE2 GLU A 19 -6.121 -5.064 5.243 1.00 0.00 O ATOM 0 H GLU A 19 -5.414 -6.289 2.586 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.616 -5.365 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.679 -5.269 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.719 -6.617 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.522 -3.908 3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.835 -5.000 3.957 1.00 0.00 H new ATOM 275 N PRO A 20 -7.295 -2.920 0.346 1.00 0.00 N ATOM 276 CA PRO A 20 -7.395 -1.480 0.185 1.00 0.00 C ATOM 277 C PRO A 20 -8.326 -0.873 1.236 1.00 0.00 C ATOM 278 O PRO A 20 -9.387 -1.426 1.524 1.00 0.00 O ATOM 279 CB PRO A 20 -7.891 -1.276 -1.237 1.00 0.00 C ATOM 280 CG PRO A 20 -8.493 -2.606 -1.662 1.00 0.00 C ATOM 281 CD PRO A 20 -8.047 -3.661 -0.663 1.00 0.00 C ATOM 0 HA PRO A 20 -6.442 -0.973 0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.633 -0.479 -1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.074 -0.988 -1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.581 -2.541 -1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.165 -2.870 -2.667 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.901 -4.175 -0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.428 -4.421 -1.139 1.00 0.00 H new ATOM 289 N ARG A 21 -7.896 0.255 1.782 1.00 0.00 N ATOM 290 CA ARG A 21 -8.679 0.942 2.795 1.00 0.00 C ATOM 291 C ARG A 21 -9.077 2.336 2.303 1.00 0.00 C ATOM 292 O ARG A 21 -8.622 2.780 1.250 1.00 0.00 O ATOM 293 CB ARG A 21 -7.894 1.075 4.101 1.00 0.00 C ATOM 294 CG ARG A 21 -6.894 2.231 4.025 1.00 0.00 C ATOM 295 CD ARG A 21 -6.069 2.328 5.310 1.00 0.00 C ATOM 296 NE ARG A 21 -6.942 2.699 6.445 1.00 0.00 N ATOM 297 CZ ARG A 21 -6.521 2.809 7.712 1.00 0.00 C ATOM 298 NH1 ARG A 21 -5.237 2.576 8.014 1.00 0.00 N ATOM 299 NH2 ARG A 21 -7.385 3.152 8.678 1.00 0.00 N ATOM 0 H ARG A 21 -7.015 0.710 1.542 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.574 0.349 2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.584 1.240 4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.365 0.145 4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.230 2.087 3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.427 3.167 3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.582 1.374 5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.280 3.070 5.190 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.926 2.883 6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.580 2.315 7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.917 2.660 8.979 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.363 3.329 8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.064 3.236 9.643 1.00 0.00 H new ATOM 313 N HIS A 22 -9.923 2.986 3.089 1.00 0.00 N ATOM 314 CA HIS A 22 -10.387 4.320 2.747 1.00 0.00 C ATOM 315 C HIS A 22 -9.968 5.305 3.839 1.00 0.00 C ATOM 316 O HIS A 22 -10.701 5.517 4.804 1.00 0.00 O ATOM 317 CB HIS A 22 -11.896 4.321 2.494 1.00 0.00 C ATOM 318 CG HIS A 22 -12.332 3.411 1.371 1.00 0.00 C ATOM 319 ND1 HIS A 22 -12.020 2.063 1.334 1.00 0.00 N ATOM 320 CD2 HIS A 22 -13.059 3.669 0.246 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.539 1.544 0.231 1.00 0.00 C ATOM 322 NE2 HIS A 22 -13.183 2.540 -0.442 1.00 0.00 N ATOM 0 H HIS A 22 -10.299 2.614 3.961 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.921 4.644 1.817 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.407 4.022 3.409 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.215 5.338 2.268 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.465 4.629 -0.037 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.465 0.513 -0.081 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.678 2.435 -1.328 1.00 0.00 H new ATOM 330 N VAL A 23 -8.790 5.881 3.651 1.00 0.00 N ATOM 331 CA VAL A 23 -8.264 6.839 4.609 1.00 0.00 C ATOM 332 C VAL A 23 -8.996 8.173 4.444 1.00 0.00 C ATOM 333 O VAL A 23 -8.927 8.796 3.386 1.00 0.00 O ATOM 334 CB VAL A 23 -6.748 6.965 4.444 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.225 8.228 5.132 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.034 5.718 4.970 1.00 0.00 C ATOM 0 H VAL A 23 -8.185 5.703 2.850 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.439 6.496 5.628 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.532 7.050 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.145 8.294 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.699 9.105 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.458 8.186 6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.958 5.833 4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.261 5.588 6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.374 4.843 4.416 1.00 0.00 H new ATOM 346 N LYS A 24 -9.681 8.571 5.506 1.00 0.00 N ATOM 347 CA LYS A 24 -10.425 9.818 5.492 1.00 0.00 C ATOM 348 C LYS A 24 -9.461 10.985 5.717 1.00 0.00 C ATOM 349 O LYS A 24 -8.482 10.853 6.450 1.00 0.00 O ATOM 350 CB LYS A 24 -11.574 9.768 6.501 1.00 0.00 C ATOM 351 CG LYS A 24 -12.916 9.569 5.793 1.00 0.00 C ATOM 352 CD LYS A 24 -14.070 9.563 6.798 1.00 0.00 C ATOM 353 CE LYS A 24 -15.420 9.646 6.082 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.299 8.531 6.502 1.00 0.00 N ATOM 0 H LYS A 24 -9.736 8.051 6.382 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.892 9.972 4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.407 8.955 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.597 10.692 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.068 10.365 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.904 8.629 5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.028 8.655 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.965 10.404 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.899 10.599 6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.269 9.611 5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.211 8.602 6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.847 7.625 6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.458 8.582 7.529 1.00 0.00 H new ATOM 368 N VAL A 25 -9.771 12.100 5.073 1.00 0.00 N ATOM 369 CA VAL A 25 -8.944 13.289 5.193 1.00 0.00 C ATOM 370 C VAL A 25 -9.820 14.475 5.601 1.00 0.00 C ATOM 371 O VAL A 25 -10.863 14.719 4.996 1.00 0.00 O ATOM 372 CB VAL A 25 -8.181 13.530 3.889 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.028 14.513 4.102 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.676 12.212 3.298 1.00 0.00 C ATOM 0 H VAL A 25 -10.584 12.206 4.466 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.194 13.155 5.973 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.872 13.975 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.502 14.667 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.422 15.465 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.337 14.108 4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.137 12.411 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.008 11.727 4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.523 11.558 3.091 1.00 0.00 H new ATOM 384 N GLN A 26 -9.364 15.182 6.625 1.00 0.00 N ATOM 385 CA GLN A 26 -10.094 16.336 7.121 1.00 0.00 C ATOM 386 C GLN A 26 -9.338 17.624 6.789 1.00 0.00 C ATOM 387 O GLN A 26 -8.823 18.295 7.683 1.00 0.00 O ATOM 388 CB GLN A 26 -10.345 16.221 8.626 1.00 0.00 C ATOM 389 CG GLN A 26 -11.827 15.974 8.917 1.00 0.00 C ATOM 390 CD GLN A 26 -12.271 16.722 10.176 1.00 0.00 C ATOM 391 OE1 GLN A 26 -11.678 16.612 11.236 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.344 17.487 10.000 1.00 0.00 N ATOM 0 H GLN A 26 -8.498 14.978 7.124 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.064 16.368 6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.749 15.406 9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.020 17.135 9.123 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.427 16.298 8.067 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.003 14.906 9.043 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.793 17.534 9.085 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.719 18.027 10.780 1.00 0.00 H new ATOM 401 N LYS A 27 -9.295 17.932 5.501 1.00 0.00 N ATOM 402 CA LYS A 27 -8.610 19.128 5.039 1.00 0.00 C ATOM 403 C LYS A 27 -9.278 20.361 5.652 1.00 0.00 C ATOM 404 O LYS A 27 -8.835 20.862 6.685 1.00 0.00 O ATOM 405 CB LYS A 27 -8.553 19.156 3.511 1.00 0.00 C ATOM 406 CG LYS A 27 -7.105 19.155 3.016 1.00 0.00 C ATOM 407 CD LYS A 27 -6.611 17.728 2.767 1.00 0.00 C ATOM 408 CE LYS A 27 -6.376 17.481 1.276 1.00 0.00 C ATOM 409 NZ LYS A 27 -6.788 16.108 0.906 1.00 0.00 N ATOM 0 H LYS A 27 -9.723 17.374 4.762 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.573 19.127 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.079 18.291 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.067 20.043 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.031 19.735 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.465 19.642 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.686 17.559 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.343 17.015 3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.938 18.206 0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.322 17.627 1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.944 15.509 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.401 15.717 1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.309 16.132 0.006 1.00 0.00 H new ATOM 423 N GLY A 28 -10.332 20.814 4.990 1.00 0.00 N ATOM 424 CA GLY A 28 -11.064 21.979 5.457 1.00 0.00 C ATOM 425 C GLY A 28 -10.622 23.240 4.711 1.00 0.00 C ATOM 426 O GLY A 28 -11.418 23.864 4.013 1.00 0.00 O ATOM 0 H GLY A 28 -10.697 20.396 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.133 21.823 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.902 22.110 6.527 1.00 0.00 H new ATOM 430 N SER A 29 -9.352 23.577 4.886 1.00 0.00 N ATOM 431 CA SER A 29 -8.794 24.752 4.239 1.00 0.00 C ATOM 432 C SER A 29 -7.269 24.740 4.357 1.00 0.00 C ATOM 433 O SER A 29 -6.644 25.791 4.484 1.00 0.00 O ATOM 434 CB SER A 29 -9.363 26.037 4.844 1.00 0.00 C ATOM 435 OG SER A 29 -8.945 27.195 4.128 1.00 0.00 O ATOM 0 H SER A 29 -8.694 23.057 5.466 1.00 0.00 H new ATOM 0 HA SER A 29 -9.071 24.725 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.452 25.985 4.846 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.046 26.120 5.884 1.00 0.00 H new ATOM 0 HG SER A 29 -7.978 27.154 3.976 1.00 0.00 H new ATOM 441 N GLU A 30 -6.713 23.538 4.311 1.00 0.00 N ATOM 442 CA GLU A 30 -5.273 23.374 4.411 1.00 0.00 C ATOM 443 C GLU A 30 -4.786 22.327 3.407 1.00 0.00 C ATOM 444 O GLU A 30 -5.566 21.498 2.943 1.00 0.00 O ATOM 445 CB GLU A 30 -4.861 23.000 5.837 1.00 0.00 C ATOM 446 CG GLU A 30 -4.599 24.251 6.678 1.00 0.00 C ATOM 447 CD GLU A 30 -3.117 24.630 6.650 1.00 0.00 C ATOM 448 OE1 GLU A 30 -2.359 24.013 7.430 1.00 0.00 O ATOM 449 OE2 GLU A 30 -2.775 25.527 5.850 1.00 0.00 O ATOM 0 H GLU A 30 -7.235 22.668 4.206 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.801 24.327 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.646 22.403 6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.964 22.381 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.197 25.080 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.914 24.075 7.707 1.00 0.00 H new ATOM 456 N PRO A 31 -3.465 22.402 3.094 1.00 0.00 N ATOM 457 CA PRO A 31 -2.865 21.471 2.154 1.00 0.00 C ATOM 458 C PRO A 31 -2.671 20.095 2.794 1.00 0.00 C ATOM 459 O PRO A 31 -2.759 19.954 4.013 1.00 0.00 O ATOM 460 CB PRO A 31 -1.556 22.122 1.737 1.00 0.00 C ATOM 461 CG PRO A 31 -1.250 23.163 2.801 1.00 0.00 C ATOM 462 CD PRO A 31 -2.511 23.371 3.625 1.00 0.00 C ATOM 0 HA PRO A 31 -3.496 21.285 1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.756 21.384 1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.645 22.583 0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.429 22.830 3.436 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.936 24.100 2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.323 23.202 4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.885 24.390 3.526 1.00 0.00 H new ATOM 470 N LEU A 32 -2.409 19.113 1.943 1.00 0.00 N ATOM 471 CA LEU A 32 -2.202 17.753 2.409 1.00 0.00 C ATOM 472 C LEU A 32 -0.853 17.664 3.126 1.00 0.00 C ATOM 473 O LEU A 32 -0.789 17.276 4.291 1.00 0.00 O ATOM 474 CB LEU A 32 -2.351 16.761 1.254 1.00 0.00 C ATOM 475 CG LEU A 32 -2.611 15.306 1.648 1.00 0.00 C ATOM 476 CD1 LEU A 32 -3.841 15.194 2.551 1.00 0.00 C ATOM 477 CD2 LEU A 32 -2.725 14.415 0.410 1.00 0.00 C ATOM 0 H LEU A 32 -2.335 19.233 0.933 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.968 17.479 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.170 17.096 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.443 16.797 0.651 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.756 14.950 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.004 14.149 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.681 15.778 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.716 15.575 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.910 13.386 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.550 14.761 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.796 14.462 -0.159 1.00 0.00 H new ATOM 489 N GLY A 33 0.192 18.031 2.399 1.00 0.00 N ATOM 490 CA GLY A 33 1.536 17.997 2.950 1.00 0.00 C ATOM 491 C GLY A 33 2.149 16.602 2.817 1.00 0.00 C ATOM 492 O GLY A 33 2.441 15.950 3.818 1.00 0.00 O ATOM 0 H GLY A 33 0.135 18.353 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.163 18.724 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.510 18.288 4.000 1.00 0.00 H new ATOM 496 N ILE A 34 2.326 16.184 1.572 1.00 0.00 N ATOM 497 CA ILE A 34 2.899 14.878 1.295 1.00 0.00 C ATOM 498 C ILE A 34 3.525 14.886 -0.101 1.00 0.00 C ATOM 499 O ILE A 34 3.087 15.630 -0.978 1.00 0.00 O ATOM 500 CB ILE A 34 1.851 13.781 1.492 1.00 0.00 C ATOM 501 CG1 ILE A 34 0.662 13.983 0.551 1.00 0.00 C ATOM 502 CG2 ILE A 34 1.415 13.695 2.956 1.00 0.00 C ATOM 503 CD1 ILE A 34 0.455 12.758 -0.342 1.00 0.00 C ATOM 0 H ILE A 34 2.082 16.727 0.744 1.00 0.00 H new ATOM 0 HA ILE A 34 3.698 14.655 2.002 1.00 0.00 H new ATOM 0 HB ILE A 34 2.306 12.824 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.240 14.169 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.829 14.865 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.670 12.907 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.279 13.468 3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.985 14.648 3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.396 12.928 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.350 12.589 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.264 11.883 0.279 1.00 0.00 H new ATOM 515 N SER A 35 4.540 14.051 -0.264 1.00 0.00 N ATOM 516 CA SER A 35 5.231 13.953 -1.539 1.00 0.00 C ATOM 517 C SER A 35 4.751 12.716 -2.300 1.00 0.00 C ATOM 518 O SER A 35 4.482 11.677 -1.699 1.00 0.00 O ATOM 519 CB SER A 35 6.748 13.898 -1.340 1.00 0.00 C ATOM 520 OG SER A 35 7.454 14.187 -2.543 1.00 0.00 O ATOM 0 H SER A 35 4.901 13.436 0.465 1.00 0.00 H new ATOM 0 HA SER A 35 5.000 14.844 -2.123 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.039 14.611 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.031 12.908 -0.982 1.00 0.00 H new ATOM 0 HG SER A 35 8.407 14.301 -2.344 1.00 0.00 H new ATOM 526 N ILE A 36 4.657 12.868 -3.613 1.00 0.00 N ATOM 527 CA ILE A 36 4.214 11.777 -4.464 1.00 0.00 C ATOM 528 C ILE A 36 5.108 11.706 -5.703 1.00 0.00 C ATOM 529 O ILE A 36 5.546 12.734 -6.217 1.00 0.00 O ATOM 530 CB ILE A 36 2.725 11.920 -4.787 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.464 13.176 -5.622 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.882 11.895 -3.511 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.446 12.846 -7.116 1.00 0.00 C ATOM 0 H ILE A 36 4.880 13.731 -4.108 1.00 0.00 H new ATOM 0 HA ILE A 36 4.314 10.824 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 36 2.422 11.063 -5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.511 13.619 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.235 13.919 -5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.828 11.998 -3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.037 10.950 -2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.179 12.719 -2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.259 13.755 -7.687 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.409 12.426 -7.408 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.658 12.121 -7.319 1.00 0.00 H new ATOM 545 N VAL A 37 5.353 10.482 -6.147 1.00 0.00 N ATOM 546 CA VAL A 37 6.187 10.263 -7.316 1.00 0.00 C ATOM 547 C VAL A 37 5.473 9.309 -8.276 1.00 0.00 C ATOM 548 O VAL A 37 4.721 8.437 -7.845 1.00 0.00 O ATOM 549 CB VAL A 37 7.567 9.757 -6.888 1.00 0.00 C ATOM 550 CG1 VAL A 37 8.096 10.554 -5.694 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.529 8.260 -6.575 1.00 0.00 C ATOM 0 H VAL A 37 4.988 9.632 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 37 6.349 11.200 -7.849 1.00 0.00 H new ATOM 0 HB VAL A 37 8.253 9.907 -7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.078 10.175 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.178 11.606 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.409 10.450 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.522 7.926 -6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.823 8.075 -5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.215 7.711 -7.463 1.00 0.00 H new ATOM 561 N SER A 38 5.734 9.508 -9.560 1.00 0.00 N ATOM 562 CA SER A 38 5.125 8.677 -10.585 1.00 0.00 C ATOM 563 C SER A 38 6.129 7.633 -11.076 1.00 0.00 C ATOM 564 O SER A 38 7.328 7.900 -11.136 1.00 0.00 O ATOM 565 CB SER A 38 4.624 9.524 -11.756 1.00 0.00 C ATOM 566 OG SER A 38 4.011 8.729 -12.767 1.00 0.00 O ATOM 0 H SER A 38 6.359 10.232 -9.914 1.00 0.00 H new ATOM 0 HA SER A 38 4.266 8.168 -10.147 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.908 10.260 -11.390 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.459 10.077 -12.186 1.00 0.00 H new ATOM 0 HG SER A 38 3.703 9.307 -13.496 1.00 0.00 H new ATOM 572 N GLY A 39 5.602 6.465 -11.416 1.00 0.00 N ATOM 573 CA GLY A 39 6.438 5.380 -11.901 1.00 0.00 C ATOM 574 C GLY A 39 6.527 5.397 -13.428 1.00 0.00 C ATOM 575 O GLY A 39 5.787 6.123 -14.089 1.00 0.00 O ATOM 0 H GLY A 39 4.607 6.247 -11.365 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.437 5.467 -11.474 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.031 4.425 -11.567 1.00 0.00 H new ATOM 623 N GLY A 43 0.800 4.873 -11.822 1.00 0.00 N ATOM 624 CA GLY A 43 0.603 4.751 -10.387 1.00 0.00 C ATOM 625 C GLY A 43 1.348 5.856 -9.635 1.00 0.00 C ATOM 626 O GLY A 43 2.354 6.371 -10.119 1.00 0.00 O ATOM 0 HA2 GLY A 43 -0.461 4.803 -10.157 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.955 3.776 -10.050 1.00 0.00 H new ATOM 630 N ILE A 44 0.824 6.187 -8.464 1.00 0.00 N ATOM 631 CA ILE A 44 1.427 7.221 -7.641 1.00 0.00 C ATOM 632 C ILE A 44 1.871 6.612 -6.309 1.00 0.00 C ATOM 633 O ILE A 44 1.149 5.814 -5.716 1.00 0.00 O ATOM 634 CB ILE A 44 0.473 8.407 -7.486 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.154 9.035 -8.845 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.029 9.433 -6.497 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.328 9.876 -9.349 1.00 0.00 C ATOM 0 H ILE A 44 -0.011 5.757 -8.066 1.00 0.00 H new ATOM 0 HA ILE A 44 2.319 7.620 -8.124 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.466 8.038 -7.073 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.073 8.251 -9.568 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.736 9.659 -8.761 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.331 10.265 -6.406 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.163 8.963 -5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.989 9.802 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.075 10.311 -10.316 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.537 10.674 -8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.210 9.244 -9.455 1.00 0.00 H new ATOM 649 N TYR A 45 3.059 7.013 -5.879 1.00 0.00 N ATOM 650 CA TYR A 45 3.608 6.517 -4.629 1.00 0.00 C ATOM 651 C TYR A 45 4.114 7.668 -3.757 1.00 0.00 C ATOM 652 O TYR A 45 4.786 8.574 -4.247 1.00 0.00 O ATOM 653 CB TYR A 45 4.792 5.626 -5.012 1.00 0.00 C ATOM 654 CG TYR A 45 4.409 4.417 -5.869 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.199 4.571 -7.224 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.273 3.174 -5.286 1.00 0.00 C ATOM 657 CE1 TYR A 45 3.839 3.434 -8.030 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.913 2.036 -6.092 1.00 0.00 C ATOM 659 CZ TYR A 45 3.713 2.223 -7.425 1.00 0.00 C ATOM 660 OH TYR A 45 3.373 1.148 -8.186 1.00 0.00 O ATOM 0 H TYR A 45 3.656 7.675 -6.374 1.00 0.00 H new ATOM 0 HA TYR A 45 2.847 5.981 -4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.524 6.225 -5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.278 5.274 -4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.305 5.544 -7.680 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.437 3.054 -4.225 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.673 3.541 -9.092 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.804 1.057 -5.649 1.00 0.00 H new ATOM 0 HH TYR A 45 3.321 0.350 -7.620 1.00 0.00 H new ATOM 670 N VAL A 46 3.770 7.595 -2.479 1.00 0.00 N ATOM 671 CA VAL A 46 4.181 8.620 -1.534 1.00 0.00 C ATOM 672 C VAL A 46 5.707 8.635 -1.436 1.00 0.00 C ATOM 673 O VAL A 46 6.329 7.598 -1.211 1.00 0.00 O ATOM 674 CB VAL A 46 3.497 8.391 -0.185 1.00 0.00 C ATOM 675 CG1 VAL A 46 4.178 9.203 0.919 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.005 8.717 -0.263 1.00 0.00 C ATOM 0 H VAL A 46 3.212 6.842 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 46 3.868 9.606 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 46 3.596 7.335 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.673 9.022 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.222 8.902 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.125 10.264 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.544 8.545 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.875 9.761 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.531 8.077 -1.007 1.00 0.00 H new ATOM 686 N SER A 47 6.268 9.823 -1.610 1.00 0.00 N ATOM 687 CA SER A 47 7.710 9.987 -1.544 1.00 0.00 C ATOM 688 C SER A 47 8.119 10.465 -0.150 1.00 0.00 C ATOM 689 O SER A 47 9.265 10.286 0.260 1.00 0.00 O ATOM 690 CB SER A 47 8.201 10.971 -2.608 1.00 0.00 C ATOM 691 OG SER A 47 9.097 11.939 -2.067 1.00 0.00 O ATOM 0 H SER A 47 5.749 10.681 -1.797 1.00 0.00 H new ATOM 0 HA SER A 47 8.174 9.020 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.699 10.422 -3.407 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.346 11.478 -3.055 1.00 0.00 H new ATOM 0 HG SER A 47 9.389 12.548 -2.777 1.00 0.00 H new ATOM 697 N LYS A 48 7.160 11.063 0.541 1.00 0.00 N ATOM 698 CA LYS A 48 7.406 11.567 1.881 1.00 0.00 C ATOM 699 C LYS A 48 6.108 12.143 2.451 1.00 0.00 C ATOM 700 O LYS A 48 5.174 12.435 1.706 1.00 0.00 O ATOM 701 CB LYS A 48 8.568 12.562 1.874 1.00 0.00 C ATOM 702 CG LYS A 48 9.329 12.526 3.201 1.00 0.00 C ATOM 703 CD LYS A 48 10.706 11.884 3.027 1.00 0.00 C ATOM 704 CE LYS A 48 11.782 12.948 2.800 1.00 0.00 C ATOM 705 NZ LYS A 48 13.100 12.459 3.266 1.00 0.00 N ATOM 0 H LYS A 48 6.211 11.210 0.198 1.00 0.00 H new ATOM 0 HA LYS A 48 7.714 10.757 2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.247 12.327 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.189 13.568 1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.443 13.539 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.754 11.967 3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.952 11.296 3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.686 11.196 2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.835 13.201 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.517 13.861 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.819 13.193 3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.050 12.240 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.358 11.600 2.739 1.00 0.00 H new ATOM 719 N VAL A 49 6.090 12.288 3.768 1.00 0.00 N ATOM 720 CA VAL A 49 4.922 12.823 4.447 1.00 0.00 C ATOM 721 C VAL A 49 5.333 14.041 5.277 1.00 0.00 C ATOM 722 O VAL A 49 6.500 14.185 5.638 1.00 0.00 O ATOM 723 CB VAL A 49 4.255 11.728 5.282 1.00 0.00 C ATOM 724 CG1 VAL A 49 3.693 12.299 6.586 1.00 0.00 C ATOM 725 CG2 VAL A 49 3.164 11.016 4.480 1.00 0.00 C ATOM 0 H VAL A 49 6.866 12.044 4.383 1.00 0.00 H new ATOM 0 HA VAL A 49 4.180 13.159 3.723 1.00 0.00 H new ATOM 0 HB VAL A 49 5.016 10.992 5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.224 11.500 7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.502 12.739 7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.952 13.065 6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.706 10.242 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.404 11.737 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.603 10.560 3.593 1.00 0.00 H new ATOM 735 N THR A 50 4.352 14.886 5.556 1.00 0.00 N ATOM 736 CA THR A 50 4.596 16.086 6.336 1.00 0.00 C ATOM 737 C THR A 50 4.185 15.868 7.794 1.00 0.00 C ATOM 738 O THR A 50 3.487 14.905 8.108 1.00 0.00 O ATOM 739 CB THR A 50 3.859 17.246 5.664 1.00 0.00 C ATOM 740 OG1 THR A 50 4.441 17.322 4.366 1.00 0.00 O ATOM 741 CG2 THR A 50 4.190 18.598 6.300 1.00 0.00 C ATOM 0 H THR A 50 3.385 14.763 5.255 1.00 0.00 H new ATOM 0 HA THR A 50 5.658 16.330 6.364 1.00 0.00 H new ATOM 0 HB THR A 50 2.784 17.073 5.719 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.178 16.536 3.843 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.641 19.386 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.905 18.585 7.352 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.260 18.787 6.216 1.00 0.00 H new ATOM 749 N VAL A 51 4.635 16.778 8.645 1.00 0.00 N ATOM 750 CA VAL A 51 4.322 16.697 10.062 1.00 0.00 C ATOM 751 C VAL A 51 3.210 17.694 10.392 1.00 0.00 C ATOM 752 O VAL A 51 3.138 18.769 9.797 1.00 0.00 O ATOM 753 CB VAL A 51 5.589 16.919 10.890 1.00 0.00 C ATOM 754 CG1 VAL A 51 5.243 17.348 12.317 1.00 0.00 C ATOM 755 CG2 VAL A 51 6.469 15.667 10.893 1.00 0.00 C ATOM 0 H VAL A 51 5.214 17.575 8.381 1.00 0.00 H new ATOM 0 HA VAL A 51 3.953 15.703 10.316 1.00 0.00 H new ATOM 0 HB VAL A 51 6.155 17.726 10.425 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.161 17.499 12.884 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.676 18.279 12.290 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.645 16.572 12.795 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.363 15.852 11.489 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.914 14.833 11.322 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.758 15.423 9.871 1.00 0.00 H new ATOM 765 N GLY A 52 2.371 17.304 11.340 1.00 0.00 N ATOM 766 CA GLY A 52 1.266 18.150 11.756 1.00 0.00 C ATOM 767 C GLY A 52 0.477 18.656 10.547 1.00 0.00 C ATOM 768 O GLY A 52 -0.033 19.776 10.558 1.00 0.00 O ATOM 0 H GLY A 52 2.434 16.413 11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.605 17.591 12.418 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.647 18.997 12.327 1.00 0.00 H new ATOM 772 N SER A 53 0.400 17.807 9.533 1.00 0.00 N ATOM 773 CA SER A 53 -0.318 18.154 8.319 1.00 0.00 C ATOM 774 C SER A 53 -1.535 17.242 8.152 1.00 0.00 C ATOM 775 O SER A 53 -1.570 16.141 8.700 1.00 0.00 O ATOM 776 CB SER A 53 0.592 18.054 7.093 1.00 0.00 C ATOM 777 OG SER A 53 0.955 16.706 6.806 1.00 0.00 O ATOM 0 H SER A 53 0.823 16.879 9.527 1.00 0.00 H new ATOM 0 HA SER A 53 -0.655 19.187 8.405 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.085 18.485 6.229 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.493 18.644 7.261 1.00 0.00 H new ATOM 0 HG SER A 53 0.563 16.437 5.949 1.00 0.00 H new ATOM 783 N ILE A 54 -2.504 17.733 7.393 1.00 0.00 N ATOM 784 CA ILE A 54 -3.719 16.976 7.147 1.00 0.00 C ATOM 785 C ILE A 54 -3.366 15.500 6.960 1.00 0.00 C ATOM 786 O ILE A 54 -3.912 14.636 7.645 1.00 0.00 O ATOM 787 CB ILE A 54 -4.496 17.576 5.973 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.940 19.008 6.284 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.675 16.683 5.582 1.00 0.00 C ATOM 790 CD1 ILE A 54 -6.007 19.025 7.380 1.00 0.00 C ATOM 0 H ILE A 54 -2.472 18.646 6.940 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.387 17.038 8.006 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.830 17.625 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.080 19.599 6.599 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.334 19.475 5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.210 17.132 4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.306 15.700 5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.350 16.580 6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.305 20.054 7.582 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.875 18.454 7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.602 18.580 8.289 1.00 0.00 H new ATOM 802 N ALA A 55 -2.455 15.255 6.030 1.00 0.00 N ATOM 803 CA ALA A 55 -2.023 13.898 5.744 1.00 0.00 C ATOM 804 C ALA A 55 -1.622 13.209 7.050 1.00 0.00 C ATOM 805 O ALA A 55 -2.200 12.189 7.421 1.00 0.00 O ATOM 806 CB ALA A 55 -0.881 13.929 4.727 1.00 0.00 C ATOM 0 H ALA A 55 -2.004 15.974 5.464 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.836 13.322 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.557 12.911 4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.226 14.401 3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.045 14.497 5.136 1.00 0.00 H new ATOM 812 N HIS A 56 -0.635 13.795 7.712 1.00 0.00 N ATOM 813 CA HIS A 56 -0.150 13.251 8.969 1.00 0.00 C ATOM 814 C HIS A 56 -1.336 12.816 9.831 1.00 0.00 C ATOM 815 O HIS A 56 -1.246 11.835 10.568 1.00 0.00 O ATOM 816 CB HIS A 56 0.764 14.253 9.678 1.00 0.00 C ATOM 817 CG HIS A 56 1.735 13.620 10.645 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.660 13.808 12.014 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.803 12.800 10.427 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.644 13.128 12.585 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.351 12.504 11.599 1.00 0.00 N ATOM 0 H HIS A 56 -0.158 14.641 7.401 1.00 0.00 H new ATOM 0 HA HIS A 56 0.458 12.367 8.777 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.325 14.811 8.928 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.148 14.973 10.217 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.145 12.451 9.464 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.850 13.077 13.644 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.167 11.908 11.739 1.00 0.00 H new ATOM 829 N GLN A 57 -2.420 13.568 9.712 1.00 0.00 N ATOM 830 CA GLN A 57 -3.623 13.272 10.472 1.00 0.00 C ATOM 831 C GLN A 57 -4.409 12.143 9.803 1.00 0.00 C ATOM 832 O GLN A 57 -4.951 11.272 10.483 1.00 0.00 O ATOM 833 CB GLN A 57 -4.490 14.522 10.634 1.00 0.00 C ATOM 834 CG GLN A 57 -3.632 15.748 10.954 1.00 0.00 C ATOM 835 CD GLN A 57 -4.411 16.758 11.799 1.00 0.00 C ATOM 836 OE1 GLN A 57 -4.026 17.114 12.900 1.00 0.00 O ATOM 837 NE2 GLN A 57 -5.526 17.198 11.223 1.00 0.00 N ATOM 0 H GLN A 57 -2.491 14.382 9.101 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.328 12.942 11.468 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.055 14.698 9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.216 14.364 11.431 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.734 15.438 11.488 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.305 16.219 10.027 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.790 16.859 10.298 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.117 17.875 11.706 1.00 0.00 H new ATOM 846 N ALA A 58 -4.447 12.194 8.480 1.00 0.00 N ATOM 847 CA ALA A 58 -5.158 11.185 7.712 1.00 0.00 C ATOM 848 C ALA A 58 -4.527 9.815 7.971 1.00 0.00 C ATOM 849 O ALA A 58 -5.136 8.785 7.687 1.00 0.00 O ATOM 850 CB ALA A 58 -5.140 11.565 6.230 1.00 0.00 C ATOM 0 H ALA A 58 -3.997 12.918 7.920 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.202 11.131 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.673 10.809 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.625 12.532 6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.109 11.626 5.882 1.00 0.00 H new ATOM 856 N GLY A 59 -3.316 9.848 8.506 1.00 0.00 N ATOM 857 CA GLY A 59 -2.597 8.622 8.806 1.00 0.00 C ATOM 858 C GLY A 59 -1.942 8.049 7.548 1.00 0.00 C ATOM 859 O GLY A 59 -1.912 6.834 7.357 1.00 0.00 O ATOM 0 H GLY A 59 -2.814 10.705 8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.835 8.818 9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.283 7.888 9.230 1.00 0.00 H new ATOM 863 N LEU A 60 -1.433 8.951 6.721 1.00 0.00 N ATOM 864 CA LEU A 60 -0.780 8.550 5.486 1.00 0.00 C ATOM 865 C LEU A 60 0.696 8.258 5.766 1.00 0.00 C ATOM 866 O LEU A 60 1.231 8.676 6.791 1.00 0.00 O ATOM 867 CB LEU A 60 -1.003 9.601 4.397 1.00 0.00 C ATOM 868 CG LEU A 60 -2.443 9.762 3.906 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.598 11.035 3.072 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.905 8.518 3.144 1.00 0.00 C ATOM 0 H LEU A 60 -1.460 9.958 6.882 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.220 7.629 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.658 10.564 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.375 9.349 3.543 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.091 9.866 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.631 11.126 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.337 11.902 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.937 10.986 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.932 8.659 2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.258 8.358 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.855 7.650 3.801 1.00 0.00 H new ATOM 882 N GLU A 61 1.311 7.542 4.836 1.00 0.00 N ATOM 883 CA GLU A 61 2.714 7.189 4.970 1.00 0.00 C ATOM 884 C GLU A 61 3.308 6.846 3.602 1.00 0.00 C ATOM 885 O GLU A 61 2.577 6.699 2.623 1.00 0.00 O ATOM 886 CB GLU A 61 2.897 6.031 5.953 1.00 0.00 C ATOM 887 CG GLU A 61 2.308 4.736 5.390 1.00 0.00 C ATOM 888 CD GLU A 61 1.048 4.328 6.155 1.00 0.00 C ATOM 889 OE1 GLU A 61 -0.009 4.933 5.872 1.00 0.00 O ATOM 890 OE2 GLU A 61 1.169 3.421 7.006 1.00 0.00 O ATOM 0 H GLU A 61 0.863 7.197 3.987 1.00 0.00 H new ATOM 0 HA GLU A 61 3.248 8.050 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.957 5.891 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.414 6.273 6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.070 4.869 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.049 3.939 5.451 1.00 0.00 H new ATOM 897 N TYR A 62 4.627 6.728 3.578 1.00 0.00 N ATOM 898 CA TYR A 62 5.327 6.405 2.346 1.00 0.00 C ATOM 899 C TYR A 62 5.163 4.925 1.994 1.00 0.00 C ATOM 900 O TYR A 62 4.969 4.091 2.877 1.00 0.00 O ATOM 901 CB TYR A 62 6.806 6.693 2.613 1.00 0.00 C ATOM 902 CG TYR A 62 7.721 6.403 1.422 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.910 5.104 0.997 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.358 7.441 0.773 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.772 4.831 -0.123 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.220 7.169 -0.348 1.00 0.00 C ATOM 907 CZ TYR A 62 9.385 5.877 -0.741 1.00 0.00 C ATOM 908 OH TYR A 62 10.199 5.619 -1.799 1.00 0.00 O ATOM 0 H TYR A 62 5.230 6.850 4.392 1.00 0.00 H new ATOM 0 HA TYR A 62 4.931 6.989 1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.916 7.740 2.896 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.134 6.096 3.464 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.411 4.292 1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.210 8.458 1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.929 3.819 -0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.724 7.972 -0.865 1.00 0.00 H new ATOM 0 HH TYR A 62 10.567 6.460 -2.141 1.00 0.00 H new ATOM 918 N GLY A 63 5.248 4.644 0.702 1.00 0.00 N ATOM 919 CA GLY A 63 5.112 3.279 0.223 1.00 0.00 C ATOM 920 C GLY A 63 3.642 2.923 -0.007 1.00 0.00 C ATOM 921 O GLY A 63 3.336 1.932 -0.669 1.00 0.00 O ATOM 0 H GLY A 63 5.409 5.338 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.669 3.159 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.548 2.591 0.947 1.00 0.00 H new ATOM 925 N ASP A 64 2.771 3.751 0.552 1.00 0.00 N ATOM 926 CA ASP A 64 1.341 3.535 0.416 1.00 0.00 C ATOM 927 C ASP A 64 0.910 3.882 -1.011 1.00 0.00 C ATOM 928 O ASP A 64 0.731 5.053 -1.342 1.00 0.00 O ATOM 929 CB ASP A 64 0.555 4.430 1.377 1.00 0.00 C ATOM 930 CG ASP A 64 -0.111 3.698 2.543 1.00 0.00 C ATOM 931 OD1 ASP A 64 -0.354 2.482 2.386 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.363 4.371 3.566 1.00 0.00 O ATOM 0 H ASP A 64 3.028 4.572 1.100 1.00 0.00 H new ATOM 0 HA ASP A 64 1.135 2.490 0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.229 5.186 1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.214 4.957 0.812 1.00 0.00 H new ATOM 937 N GLN A 65 0.758 2.842 -1.818 1.00 0.00 N ATOM 938 CA GLN A 65 0.352 3.022 -3.201 1.00 0.00 C ATOM 939 C GLN A 65 -1.083 3.549 -3.270 1.00 0.00 C ATOM 940 O GLN A 65 -2.026 2.841 -2.920 1.00 0.00 O ATOM 941 CB GLN A 65 0.495 1.718 -3.988 1.00 0.00 C ATOM 942 CG GLN A 65 0.384 1.970 -5.493 1.00 0.00 C ATOM 943 CD GLN A 65 -0.576 0.975 -6.147 1.00 0.00 C ATOM 944 OE1 GLN A 65 -0.710 -0.164 -5.731 1.00 0.00 O ATOM 945 NE2 GLN A 65 -1.236 1.466 -7.193 1.00 0.00 N ATOM 0 H GLN A 65 0.909 1.872 -1.540 1.00 0.00 H new ATOM 0 HA GLN A 65 1.011 3.759 -3.659 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.457 1.257 -3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.277 1.014 -3.676 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.035 2.987 -5.670 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.369 1.886 -5.953 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.077 2.429 -7.490 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.901 0.880 -7.698 1.00 0.00 H new ATOM 954 N LEU A 66 -1.203 4.789 -3.722 1.00 0.00 N ATOM 955 CA LEU A 66 -2.507 5.419 -3.840 1.00 0.00 C ATOM 956 C LEU A 66 -3.277 4.774 -4.994 1.00 0.00 C ATOM 957 O LEU A 66 -2.857 4.854 -6.147 1.00 0.00 O ATOM 958 CB LEU A 66 -2.358 6.936 -3.972 1.00 0.00 C ATOM 959 CG LEU A 66 -1.507 7.622 -2.902 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.206 9.072 -3.287 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.169 7.520 -1.526 1.00 0.00 C ATOM 0 H LEU A 66 -0.419 5.374 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.093 5.257 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.925 7.155 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.353 7.381 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.552 7.101 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.600 9.537 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.662 9.092 -4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.141 9.621 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.543 8.016 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.147 8.001 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.289 6.471 -1.257 1.00 0.00 H new ATOM 973 N LEU A 67 -4.391 4.149 -4.643 1.00 0.00 N ATOM 974 CA LEU A 67 -5.224 3.490 -5.634 1.00 0.00 C ATOM 975 C LEU A 67 -6.199 4.507 -6.231 1.00 0.00 C ATOM 976 O LEU A 67 -6.159 4.781 -7.430 1.00 0.00 O ATOM 977 CB LEU A 67 -5.910 2.263 -5.029 1.00 0.00 C ATOM 978 CG LEU A 67 -5.000 1.075 -4.712 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.798 -0.079 -4.102 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.215 0.639 -5.951 1.00 0.00 C ATOM 0 H LEU A 67 -4.736 4.085 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.613 3.112 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.411 2.567 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.685 1.928 -5.718 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.272 1.392 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.128 -0.911 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.272 0.254 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.564 -0.404 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.576 -0.207 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.910 0.346 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.599 1.467 -6.301 1.00 0.00 H new ATOM 992 N GLU A 68 -7.053 5.038 -5.368 1.00 0.00 N ATOM 993 CA GLU A 68 -8.036 6.019 -5.796 1.00 0.00 C ATOM 994 C GLU A 68 -8.170 7.127 -4.749 1.00 0.00 C ATOM 995 O GLU A 68 -8.185 6.855 -3.550 1.00 0.00 O ATOM 996 CB GLU A 68 -9.388 5.356 -6.069 1.00 0.00 C ATOM 997 CG GLU A 68 -9.255 4.249 -7.117 1.00 0.00 C ATOM 998 CD GLU A 68 -10.458 3.305 -7.073 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.584 3.811 -7.269 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -10.224 2.099 -6.843 1.00 0.00 O ATOM 0 H GLU A 68 -7.085 4.808 -4.375 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.693 6.467 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.786 4.940 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.101 6.105 -6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.171 4.691 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.339 3.685 -6.941 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.264 8.353 -5.242 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.396 9.504 -4.364 1.00 0.00 C ATOM 1009 C PHE A 69 -9.810 10.083 -4.428 1.00 0.00 C ATOM 1010 O PHE A 69 -10.210 10.644 -5.447 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.403 10.559 -4.857 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.392 11.841 -4.022 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.430 12.715 -4.104 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.343 12.106 -3.198 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.420 13.905 -3.329 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.332 13.296 -2.423 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.371 14.170 -2.505 1.00 0.00 C ATOM 0 H PHE A 69 -8.251 8.575 -6.238 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.199 9.210 -3.333 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.401 10.129 -4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.641 10.812 -5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.263 12.504 -4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.518 11.412 -3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.245 14.599 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.499 13.507 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.363 15.075 -1.915 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.530 9.926 -3.327 1.00 0.00 N ATOM 1028 CA ASN A 70 -11.891 10.426 -3.245 1.00 0.00 C ATOM 1029 C ASN A 70 -12.659 10.011 -4.501 1.00 0.00 C ATOM 1030 O ASN A 70 -13.624 10.668 -4.889 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.913 11.954 -3.160 1.00 0.00 C ATOM 1032 CG ASN A 70 -13.018 12.435 -2.218 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.823 11.666 -1.719 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -13.013 13.748 -2.003 1.00 0.00 N ATOM 0 H ASN A 70 -10.196 9.459 -2.484 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.350 10.009 -2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.947 12.316 -2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.068 12.375 -4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.711 14.167 -1.389 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.311 14.336 -2.452 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.201 8.924 -5.103 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.833 8.413 -6.308 1.00 0.00 C ATOM 1043 C GLY A 71 -11.886 8.508 -7.506 1.00 0.00 C ATOM 1044 O GLY A 71 -11.892 7.640 -8.377 1.00 0.00 O ATOM 0 H GLY A 71 -11.400 8.382 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.129 7.375 -6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.743 8.977 -6.513 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.094 9.570 -7.511 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.143 9.790 -8.588 1.00 0.00 C ATOM 1050 C ILE A 72 -9.246 8.558 -8.729 1.00 0.00 C ATOM 1051 O ILE A 72 -8.701 8.066 -7.742 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.370 11.091 -8.363 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.284 12.307 -8.526 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.146 11.166 -9.277 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.315 13.145 -7.246 1.00 0.00 C ATOM 0 H ILE A 72 -11.091 10.288 -6.786 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.664 9.916 -9.537 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.005 11.099 -7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.936 12.919 -9.358 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.293 11.977 -8.774 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.614 12.100 -9.097 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.484 10.326 -9.068 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.466 11.126 -10.318 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.972 14.003 -7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.687 12.536 -6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.308 13.493 -7.015 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.121 8.096 -9.964 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.299 6.931 -10.248 1.00 0.00 C ATOM 1069 C ASN A 73 -6.830 7.352 -10.309 1.00 0.00 C ATOM 1070 O ASN A 73 -6.327 7.711 -11.372 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.670 6.311 -11.596 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.520 4.789 -11.559 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -7.767 4.194 -12.313 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -9.278 4.193 -10.643 1.00 0.00 N ATOM 0 H ASN A 73 -9.575 8.507 -10.780 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.465 6.200 -9.457 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.697 6.573 -11.850 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.033 6.724 -12.378 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.251 3.179 -10.540 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.887 4.750 -10.044 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.182 7.293 -9.154 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.780 7.663 -9.063 1.00 0.00 C ATOM 1083 C LEU A 74 -3.938 6.654 -9.847 1.00 0.00 C ATOM 1084 O LEU A 74 -2.921 7.014 -10.438 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.358 7.810 -7.600 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.550 9.196 -6.982 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -3.935 9.263 -5.583 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -3.999 10.287 -7.903 1.00 0.00 C ATOM 0 H LEU A 74 -6.602 6.995 -8.274 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.614 8.639 -9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.920 7.089 -7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.305 7.540 -7.517 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.619 9.376 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.086 10.259 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.413 8.525 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.867 9.053 -5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.148 11.263 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.934 10.122 -8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.522 10.255 -8.859 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.394 5.410 -9.828 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.695 4.346 -10.529 1.00 0.00 C ATOM 1102 C ARG A 75 -3.303 4.806 -11.935 1.00 0.00 C ATOM 1103 O ARG A 75 -2.300 4.351 -12.483 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.566 3.093 -10.635 1.00 0.00 C ATOM 1105 CG ARG A 75 -4.637 2.359 -9.294 1.00 0.00 C ATOM 1106 CD ARG A 75 -4.574 0.844 -9.494 1.00 0.00 C ATOM 1107 NE ARG A 75 -5.868 0.229 -9.122 1.00 0.00 N ATOM 1108 CZ ARG A 75 -6.948 0.215 -9.914 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -6.896 0.782 -11.127 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -8.080 -0.365 -9.494 1.00 0.00 N ATOM 0 H ARG A 75 -5.239 5.115 -9.338 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.798 4.105 -9.958 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.570 3.370 -10.956 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.160 2.427 -11.397 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.814 2.680 -8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.561 2.623 -8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.339 0.616 -10.534 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.774 0.422 -8.886 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.942 -0.212 -8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.034 1.224 -11.447 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.718 0.772 -11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.120 -0.796 -8.571 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.902 -0.375 -10.098 1.00 0.00 H new ATOM 1124 N SER A 76 -4.112 5.704 -12.477 1.00 0.00 N ATOM 1125 CA SER A 76 -3.862 6.231 -13.808 1.00 0.00 C ATOM 1126 C SER A 76 -3.798 7.759 -13.762 1.00 0.00 C ATOM 1127 O SER A 76 -4.449 8.435 -14.557 1.00 0.00 O ATOM 1128 CB SER A 76 -4.939 5.774 -14.793 1.00 0.00 C ATOM 1129 OG SER A 76 -4.406 5.529 -16.092 1.00 0.00 O ATOM 0 H SER A 76 -4.942 6.080 -12.018 1.00 0.00 H new ATOM 0 HA SER A 76 -2.904 5.844 -14.155 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.411 4.866 -14.418 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.717 6.535 -14.858 1.00 0.00 H new ATOM 0 HG SER A 76 -5.125 5.238 -16.691 1.00 0.00 H new ATOM 1135 N ALA A 77 -3.007 8.258 -12.824 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.850 9.694 -12.664 1.00 0.00 C ATOM 1137 C ALA A 77 -1.361 10.044 -12.682 1.00 0.00 C ATOM 1138 O ALA A 77 -0.515 9.191 -12.418 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.539 10.143 -11.375 1.00 0.00 C ATOM 0 H ALA A 77 -2.468 7.694 -12.167 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.324 10.226 -13.489 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.421 11.220 -11.255 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.600 9.898 -11.425 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.088 9.632 -10.524 1.00 0.00 H new ATOM 1145 N THR A 78 -1.085 11.302 -12.996 1.00 0.00 N ATOM 1146 CA THR A 78 0.287 11.776 -13.051 1.00 0.00 C ATOM 1147 C THR A 78 0.642 12.533 -11.770 1.00 0.00 C ATOM 1148 O THR A 78 -0.241 13.031 -11.074 1.00 0.00 O ATOM 1149 CB THR A 78 0.446 12.618 -14.319 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.695 13.472 -14.313 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.285 11.790 -15.596 1.00 0.00 C ATOM 0 H THR A 78 -1.789 12.007 -13.215 1.00 0.00 H new ATOM 0 HA THR A 78 0.990 10.945 -13.105 1.00 0.00 H new ATOM 0 HB THR A 78 1.426 13.095 -14.317 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.672 14.054 -15.101 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.407 12.435 -16.466 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.040 11.005 -15.618 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.707 11.340 -15.615 1.00 0.00 H new ATOM 1159 N GLU A 79 1.937 12.596 -11.498 1.00 0.00 N ATOM 1160 CA GLU A 79 2.420 13.284 -10.312 1.00 0.00 C ATOM 1161 C GLU A 79 1.853 14.704 -10.255 1.00 0.00 C ATOM 1162 O GLU A 79 1.505 15.194 -9.182 1.00 0.00 O ATOM 1163 CB GLU A 79 3.949 13.303 -10.274 1.00 0.00 C ATOM 1164 CG GLU A 79 4.531 13.497 -11.676 1.00 0.00 C ATOM 1165 CD GLU A 79 5.944 14.080 -11.608 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.202 14.830 -10.641 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.733 13.764 -12.524 1.00 0.00 O ATOM 0 H GLU A 79 2.667 12.182 -12.078 1.00 0.00 H new ATOM 0 HA GLU A 79 2.074 12.739 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.290 14.106 -9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.317 12.369 -9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.553 12.541 -12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.887 14.161 -12.252 1.00 0.00 H new ATOM 1174 N GLN A 80 1.776 15.324 -11.423 1.00 0.00 N ATOM 1175 CA GLN A 80 1.257 16.677 -11.519 1.00 0.00 C ATOM 1176 C GLN A 80 -0.216 16.711 -11.107 1.00 0.00 C ATOM 1177 O GLN A 80 -0.676 17.686 -10.514 1.00 0.00 O ATOM 1178 CB GLN A 80 1.444 17.238 -12.930 1.00 0.00 C ATOM 1179 CG GLN A 80 0.641 16.430 -13.952 1.00 0.00 C ATOM 1180 CD GLN A 80 -0.599 17.201 -14.408 1.00 0.00 C ATOM 1181 OE1 GLN A 80 -1.043 18.144 -13.775 1.00 0.00 O ATOM 1182 NE2 GLN A 80 -1.132 16.748 -15.539 1.00 0.00 N ATOM 0 H GLN A 80 2.065 14.914 -12.311 1.00 0.00 H new ATOM 0 HA GLN A 80 1.821 17.310 -10.834 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.127 18.281 -12.956 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.501 17.219 -13.196 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.268 16.201 -14.813 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.341 15.478 -13.514 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.710 15.953 -16.019 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.963 17.195 -15.926 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.915 15.635 -11.437 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.326 15.529 -11.108 1.00 0.00 C ATOM 1193 C GLN A 81 -2.502 15.141 -9.638 1.00 0.00 C ATOM 1194 O GLN A 81 -3.401 15.640 -8.963 1.00 0.00 O ATOM 1195 CB GLN A 81 -3.030 14.529 -12.027 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.450 15.192 -13.341 1.00 0.00 C ATOM 1197 CD GLN A 81 -4.194 14.204 -14.241 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -5.408 14.227 -14.362 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -3.401 13.337 -14.864 1.00 0.00 N ATOM 0 H GLN A 81 -0.530 14.829 -11.929 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.789 16.504 -11.264 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.365 13.691 -12.235 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.907 14.123 -11.524 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.088 16.050 -13.131 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.569 15.569 -13.860 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.392 13.373 -14.718 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.802 12.636 -15.488 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.628 14.253 -9.186 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.675 13.792 -7.809 1.00 0.00 C ATOM 1210 C ALA A 82 -1.373 14.964 -6.873 1.00 0.00 C ATOM 1211 O ALA A 82 -2.023 15.122 -5.840 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.695 12.632 -7.625 1.00 0.00 C ATOM 0 H ALA A 82 -0.884 13.841 -9.749 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.670 13.421 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.730 12.286 -6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.970 11.814 -8.291 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.315 12.968 -7.861 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.386 15.756 -7.267 1.00 0.00 N ATOM 1219 CA ARG A 83 0.010 16.908 -6.476 1.00 0.00 C ATOM 1220 C ARG A 83 -1.069 17.992 -6.540 1.00 0.00 C ATOM 1221 O ARG A 83 -0.985 18.998 -5.837 1.00 0.00 O ATOM 1222 CB ARG A 83 1.336 17.488 -6.973 1.00 0.00 C ATOM 1223 CG ARG A 83 2.509 16.586 -6.584 1.00 0.00 C ATOM 1224 CD ARG A 83 3.778 16.980 -7.341 1.00 0.00 C ATOM 1225 NE ARG A 83 4.705 17.696 -6.436 1.00 0.00 N ATOM 1226 CZ ARG A 83 5.657 18.542 -6.852 1.00 0.00 C ATOM 1227 NH1 ARG A 83 5.814 18.784 -8.161 1.00 0.00 N ATOM 1228 NH2 ARG A 83 6.453 19.146 -5.959 1.00 0.00 N ATOM 0 H ARG A 83 0.151 15.622 -8.124 1.00 0.00 H new ATOM 0 HA ARG A 83 0.135 16.576 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.304 17.602 -8.057 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.482 18.483 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.685 16.655 -5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.260 15.547 -6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.263 16.090 -7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.523 17.614 -8.190 1.00 0.00 H new ATOM 0 HE ARG A 83 4.613 17.535 -5.433 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.209 18.324 -8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.539 19.428 -8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.334 18.962 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.178 19.790 -6.275 1.00 0.00 H new ATOM 1242 N LEU A 84 -2.056 17.749 -7.389 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.150 18.692 -7.553 1.00 0.00 C ATOM 1244 C LEU A 84 -4.399 18.143 -6.862 1.00 0.00 C ATOM 1245 O LEU A 84 -4.985 18.809 -6.009 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.359 19.017 -9.034 1.00 0.00 C ATOM 1247 CG LEU A 84 -4.710 18.608 -9.625 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -5.859 19.324 -8.914 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -4.738 18.841 -11.137 1.00 0.00 C ATOM 0 H LEU A 84 -2.122 16.914 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.911 19.641 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.235 20.091 -9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.571 18.529 -9.608 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.846 17.539 -9.460 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.808 19.015 -9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.849 19.066 -7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.741 20.402 -9.026 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.709 18.543 -11.533 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.570 19.898 -11.345 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.955 18.249 -11.611 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.771 16.933 -7.254 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.940 16.287 -6.683 1.00 0.00 C ATOM 1263 C ILE A 85 -5.890 16.408 -5.158 1.00 0.00 C ATOM 1264 O ILE A 85 -6.901 16.701 -4.522 1.00 0.00 O ATOM 1265 CB ILE A 85 -6.053 14.845 -7.182 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -6.152 14.800 -8.708 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -7.222 14.122 -6.510 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.600 13.481 -9.255 1.00 0.00 C ATOM 0 H ILE A 85 -4.283 16.383 -7.961 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.851 16.786 -7.014 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.143 14.314 -6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.192 14.917 -9.012 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.599 15.636 -9.137 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.280 13.099 -6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.069 14.107 -5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.152 14.644 -6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.682 13.475 -10.342 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.553 13.379 -8.970 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.171 12.649 -8.843 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.704 16.175 -4.617 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.509 16.254 -3.179 1.00 0.00 C ATOM 1282 C ILE A 86 -4.593 17.716 -2.737 1.00 0.00 C ATOM 1283 O ILE A 86 -5.019 18.007 -1.620 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.203 15.564 -2.777 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.990 16.367 -3.251 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.168 14.120 -3.282 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.706 15.546 -3.125 1.00 0.00 C ATOM 0 H ILE A 86 -3.868 15.931 -5.148 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.301 15.717 -2.657 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.158 15.526 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.132 16.669 -4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.901 17.280 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.230 13.653 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.003 13.565 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.247 14.113 -4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.141 16.140 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.554 15.266 -2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.789 14.646 -3.734 1.00 0.00 H new ATOM 1299 N GLY A 87 -4.181 18.598 -3.636 1.00 0.00 N ATOM 1300 CA GLY A 87 -4.205 20.022 -3.352 1.00 0.00 C ATOM 1301 C GLY A 87 -5.523 20.650 -3.809 1.00 0.00 C ATOM 1302 O GLY A 87 -5.565 21.829 -4.158 1.00 0.00 O ATOM 0 H GLY A 87 -3.829 18.353 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.072 20.185 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.371 20.511 -3.856 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.567 19.835 -3.792 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.883 20.296 -4.199 1.00 0.00 C ATOM 1308 C GLN A 88 -8.733 20.630 -2.972 1.00 0.00 C ATOM 1309 O GLN A 88 -8.240 20.602 -1.845 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.579 19.256 -5.081 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.027 19.289 -6.507 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.046 18.729 -7.502 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -9.557 19.425 -8.365 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.312 17.437 -7.335 1.00 0.00 N ATOM 0 H GLN A 88 -6.528 18.858 -3.503 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.761 21.204 -4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.440 18.262 -4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.652 19.448 -5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.773 20.314 -6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.106 18.708 -6.558 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.849 16.913 -6.593 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.979 16.970 -7.949 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.995 20.940 -3.231 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.917 21.279 -2.161 1.00 0.00 C ATOM 1325 C GLN A 89 -11.488 20.009 -1.529 1.00 0.00 C ATOM 1326 O GLN A 89 -10.935 18.923 -1.701 1.00 0.00 O ATOM 1327 CB GLN A 89 -12.037 22.189 -2.670 1.00 0.00 C ATOM 1328 CG GLN A 89 -12.744 21.566 -3.875 1.00 0.00 C ATOM 1329 CD GLN A 89 -13.211 20.143 -3.561 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -14.195 19.922 -2.874 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -12.453 19.193 -4.102 1.00 0.00 N ATOM 0 H GLN A 89 -10.400 20.963 -4.167 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.368 21.827 -1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.758 22.365 -1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.625 23.159 -2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.600 22.180 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.068 21.550 -4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.643 19.447 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.682 18.210 -3.952 1.00 0.00 H new ATOM 1340 N CYS A 90 -12.587 20.185 -0.810 1.00 0.00 N ATOM 1341 CA CYS A 90 -13.239 19.066 -0.151 1.00 0.00 C ATOM 1342 C CYS A 90 -12.839 19.079 1.326 1.00 0.00 C ATOM 1343 O CYS A 90 -11.873 18.426 1.717 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.895 17.736 -0.824 1.00 0.00 C ATOM 1345 SG CYS A 90 -14.175 16.488 -0.433 1.00 0.00 S ATOM 0 H CYS A 90 -13.043 21.087 -0.669 1.00 0.00 H new ATOM 0 HA CYS A 90 -14.321 19.171 -0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -12.826 17.872 -1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.920 17.388 -0.483 1.00 0.00 H new ATOM 0 HG CYS A 90 -14.726 16.072 -1.534 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.602 19.830 2.106 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.340 19.937 3.531 1.00 0.00 C ATOM 1353 C ASP A 91 -12.976 18.557 4.083 1.00 0.00 C ATOM 1354 O ASP A 91 -12.144 18.444 4.982 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.575 20.436 4.283 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.724 21.958 4.344 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -14.371 22.604 3.334 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -15.186 22.440 5.401 1.00 0.00 O ATOM 0 H ASP A 91 -14.402 20.371 1.778 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.523 20.645 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.463 20.018 3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.543 20.048 5.301 1.00 0.00 H new ATOM 1363 N THR A 92 -13.617 17.543 3.521 1.00 0.00 N ATOM 1364 CA THR A 92 -13.372 16.175 3.946 1.00 0.00 C ATOM 1365 C THR A 92 -13.357 15.236 2.738 1.00 0.00 C ATOM 1366 O THR A 92 -14.410 14.882 2.210 1.00 0.00 O ATOM 1367 CB THR A 92 -14.429 15.807 4.989 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.561 16.985 5.780 1.00 0.00 O ATOM 1369 CG2 THR A 92 -13.933 14.748 5.976 1.00 0.00 C ATOM 0 H THR A 92 -14.306 17.641 2.775 1.00 0.00 H new ATOM 0 HA THR A 92 -12.390 16.074 4.408 1.00 0.00 H new ATOM 0 HB THR A 92 -15.325 15.443 4.486 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.229 16.835 6.481 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.721 14.523 6.695 1.00 0.00 H new ATOM 0 HG22 THR A 92 -13.667 13.841 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.057 15.125 6.504 1.00 0.00 H new ATOM 1377 N ILE A 93 -12.152 14.860 2.335 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.987 13.969 1.200 1.00 0.00 C ATOM 1379 C ILE A 93 -11.354 12.659 1.673 1.00 0.00 C ATOM 1380 O ILE A 93 -10.525 12.658 2.582 1.00 0.00 O ATOM 1381 CB ILE A 93 -11.203 14.663 0.084 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -10.514 13.639 -0.821 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -10.212 15.677 0.659 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -9.087 13.359 -0.346 1.00 0.00 C ATOM 0 H ILE A 93 -11.281 15.156 2.775 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.956 13.718 0.769 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.909 15.217 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -11.087 12.712 -0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -10.494 14.010 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.668 16.156 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.754 16.433 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.507 15.166 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.620 12.628 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.510 14.284 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.112 12.965 0.670 1.00 0.00 H new ATOM 1396 N THR A 94 -11.768 11.574 1.034 1.00 0.00 N ATOM 1397 CA THR A 94 -11.252 10.260 1.378 1.00 0.00 C ATOM 1398 C THR A 94 -10.224 9.803 0.341 1.00 0.00 C ATOM 1399 O THR A 94 -10.225 10.281 -0.792 1.00 0.00 O ATOM 1400 CB THR A 94 -12.440 9.307 1.517 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.440 10.090 2.164 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.165 8.168 2.501 1.00 0.00 C ATOM 0 H THR A 94 -12.455 11.578 0.280 1.00 0.00 H new ATOM 0 HA THR A 94 -10.721 10.280 2.329 1.00 0.00 H new ATOM 0 HB THR A 94 -12.688 8.891 0.540 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.247 9.549 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.040 7.521 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.309 7.588 2.157 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.950 8.582 3.486 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.371 8.882 0.767 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.340 8.355 -0.111 1.00 0.00 C ATOM 1412 C ILE A 95 -8.334 6.827 -0.024 1.00 0.00 C ATOM 1413 O ILE A 95 -8.617 6.261 1.031 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.987 8.994 0.208 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.965 10.467 -0.206 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.843 8.202 -0.429 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.905 11.242 0.580 1.00 0.00 C ATOM 0 H ILE A 95 -9.373 8.488 1.708 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.553 8.615 -1.148 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.839 8.961 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.761 10.545 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.946 10.911 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.892 8.677 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.847 7.182 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.973 8.181 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.910 12.286 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.126 11.182 1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.922 10.811 0.388 1.00 0.00 H new ATOM 1429 N LEU A 96 -8.009 6.203 -1.147 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.963 4.753 -1.210 1.00 0.00 C ATOM 1431 C LEU A 96 -6.514 4.301 -1.404 1.00 0.00 C ATOM 1432 O LEU A 96 -5.997 4.323 -2.520 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.919 4.233 -2.287 1.00 0.00 C ATOM 1434 CG LEU A 96 -8.959 2.715 -2.472 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.465 2.021 -1.205 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.784 2.334 -3.702 1.00 0.00 C ATOM 0 H LEU A 96 -7.775 6.676 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.310 4.320 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.925 4.577 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.645 4.688 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.941 2.366 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.484 0.943 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.801 2.254 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.471 2.371 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.796 1.249 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.804 2.698 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.340 2.782 -4.591 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.900 3.902 -0.300 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.521 3.445 -0.334 1.00 0.00 C ATOM 1450 C ALA A 97 -4.483 1.933 -0.101 1.00 0.00 C ATOM 1451 O ALA A 97 -5.439 1.357 0.416 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.702 4.216 0.704 1.00 0.00 C ATOM 0 H ALA A 97 -6.332 3.886 0.624 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.076 3.639 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.668 3.873 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.737 5.281 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.117 4.043 1.697 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.368 1.334 -0.493 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.193 -0.099 -0.333 1.00 0.00 C ATOM 1460 C GLN A 98 -1.707 -0.441 -0.201 1.00 0.00 C ATOM 1461 O GLN A 98 -1.021 -0.639 -1.202 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.829 -0.862 -1.497 1.00 0.00 C ATOM 1463 CG GLN A 98 -3.998 -2.344 -1.154 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.213 -3.178 -2.418 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -3.706 -2.876 -3.486 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -4.990 -4.242 -2.238 1.00 0.00 N ATOM 0 H GLN A 98 -2.577 1.815 -0.921 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.700 -0.407 0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.800 -0.427 -1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.208 -0.759 -2.387 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.115 -2.701 -0.624 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.846 -2.471 -0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.382 -4.437 -1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.193 -4.863 -3.021 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.255 -0.499 1.043 1.00 0.00 N ATOM 1476 CA TYR A 99 0.137 -0.813 1.319 1.00 0.00 C ATOM 1477 C TYR A 99 0.622 -1.970 0.444 1.00 0.00 C ATOM 1478 O TYR A 99 0.084 -3.074 0.515 1.00 0.00 O ATOM 1479 CB TYR A 99 0.189 -1.242 2.787 1.00 0.00 C ATOM 1480 CG TYR A 99 1.585 -1.641 3.269 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.046 -2.925 3.062 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.383 -0.717 3.912 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.360 -3.301 3.516 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.697 -1.092 4.366 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.120 -2.366 4.145 1.00 0.00 C ATOM 1486 OH TYR A 99 5.361 -2.721 4.574 1.00 0.00 O ATOM 0 H TYR A 99 -1.828 -0.334 1.871 1.00 0.00 H new ATOM 0 HA TYR A 99 0.773 0.048 1.112 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.178 -0.424 3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.489 -2.083 2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.421 -3.648 2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.022 0.288 4.075 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.733 -4.303 3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.332 -0.379 4.870 1.00 0.00 H new ATOM 0 HH TYR A 99 5.791 -1.953 5.005 1.00 0.00 H new ATOM 1496 N ASN A 100 1.633 -1.679 -0.361 1.00 0.00 N ATOM 1497 CA ASN A 100 2.196 -2.682 -1.248 1.00 0.00 C ATOM 1498 C ASN A 100 3.644 -2.962 -0.840 1.00 0.00 C ATOM 1499 O ASN A 100 4.515 -2.109 -1.003 1.00 0.00 O ATOM 1500 CB ASN A 100 2.200 -2.194 -2.698 1.00 0.00 C ATOM 1501 CG ASN A 100 2.377 -3.363 -3.670 1.00 0.00 C ATOM 1502 OD1 ASN A 100 2.042 -4.500 -3.381 1.00 0.00 O ATOM 1503 ND2 ASN A 100 2.921 -3.021 -4.834 1.00 0.00 N ATOM 0 H ASN A 100 2.077 -0.762 -0.417 1.00 0.00 H new ATOM 0 HA ASN A 100 1.585 -3.582 -1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.266 -1.676 -2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.005 -1.473 -2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.081 -3.730 -5.550 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.178 -2.050 -5.011 1.00 0.00 H new ATOM 1510 N PRO A 101 3.862 -4.193 -0.304 1.00 0.00 N ATOM 1511 CA PRO A 101 5.189 -4.596 0.129 1.00 0.00 C ATOM 1512 C PRO A 101 6.081 -4.923 -1.071 1.00 0.00 C ATOM 1513 O PRO A 101 6.650 -6.011 -1.148 1.00 0.00 O ATOM 1514 CB PRO A 101 4.959 -5.791 1.041 1.00 0.00 C ATOM 1515 CG PRO A 101 3.563 -6.299 0.719 1.00 0.00 C ATOM 1516 CD PRO A 101 2.854 -5.229 -0.096 1.00 0.00 C ATOM 0 HA PRO A 101 5.718 -3.803 0.658 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.706 -6.565 0.866 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.038 -5.503 2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.616 -7.233 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.012 -6.508 1.636 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.494 -5.627 -1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.987 -4.837 0.435 1.00 0.00 H new