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 -108:sc= -2.28! USER MOD Set 1.2: A 80 GLN : amide:sc= 0.0179 K(o=-5,f=-1.9) USER MOD Set 1.3: A 81 GLN : amide:sc= -2.74! K(o=-5!,f=-1.9) USER MOD Set 2.1: A 35 SER OG : rot 170:sc=-0.00812 USER MOD Set 2.2: A 47 SER OG : rot 180:sc= -0.256 USER MOD Single : A 22 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-6.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.017) USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= 0.818 (180deg=-1.01!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 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 109:sc= -1.16 USER MOD Single : A 56 HIS : no HD1:sc= -4.82! C(o=-4.8!,f=-5.5!) USER MOD Single : A 57 GLN : amide:sc= -0.0686 X(o=-0.069,f=-0.55) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 70 ASN : amide:sc= -17! C(o=-17!,f=-21!) USER MOD Single : A 73 ASN : amide:sc= -0.158 K(o=-0.16,f=-4.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.175 K(o=-0.17,f=-2.2!) USER MOD Single : A 89 GLN : amide:sc= -1.63 K(o=-1.6,f=-1) USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -2.43! C(o=-2.4!,f=-6.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -1.734 -9.481 0.351 1.00 0.00 N ATOM 230 CA VAL A 17 -1.174 -8.171 0.639 1.00 0.00 C ATOM 231 C VAL A 17 -2.097 -7.429 1.607 1.00 0.00 C ATOM 232 O VAL A 17 -3.096 -7.982 2.066 1.00 0.00 O ATOM 233 CB VAL A 17 -0.935 -7.406 -0.664 1.00 0.00 C ATOM 234 CG1 VAL A 17 0.425 -7.765 -1.268 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.064 -7.661 -1.665 1.00 0.00 C ATOM 0 HA VAL A 17 -0.203 -8.269 1.125 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.928 -6.341 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.571 -7.208 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.215 -7.509 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.459 -8.834 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.869 -7.105 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.117 -8.726 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.011 -7.333 -1.236 1.00 0.00 H new ATOM 245 N GLU A 18 -1.731 -6.187 1.889 1.00 0.00 N ATOM 246 CA GLU A 18 -2.514 -5.363 2.794 1.00 0.00 C ATOM 247 C GLU A 18 -3.731 -4.786 2.068 1.00 0.00 C ATOM 248 O GLU A 18 -3.611 -3.816 1.321 1.00 0.00 O ATOM 249 CB GLU A 18 -1.658 -4.249 3.400 1.00 0.00 C ATOM 250 CG GLU A 18 -0.291 -4.782 3.833 1.00 0.00 C ATOM 251 CD GLU A 18 -0.011 -4.446 5.299 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.828 -4.871 6.145 1.00 0.00 O ATOM 253 OE2 GLU A 18 1.013 -3.771 5.542 1.00 0.00 O ATOM 0 H GLU A 18 -0.902 -5.731 1.507 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.867 -5.991 3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.526 -3.449 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.172 -3.816 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.256 -5.862 3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.487 -4.352 3.203 1.00 0.00 H new ATOM 260 N GLU A 19 -4.876 -5.407 2.313 1.00 0.00 N ATOM 261 CA GLU A 19 -6.114 -4.967 1.692 1.00 0.00 C ATOM 262 C GLU A 19 -6.143 -3.441 1.589 1.00 0.00 C ATOM 263 O GLU A 19 -5.488 -2.750 2.368 1.00 0.00 O ATOM 264 CB GLU A 19 -7.329 -5.488 2.462 1.00 0.00 C ATOM 265 CG GLU A 19 -7.407 -4.857 3.854 1.00 0.00 C ATOM 266 CD GLU A 19 -8.842 -4.444 4.188 1.00 0.00 C ATOM 267 OE1 GLU A 19 -9.208 -3.310 3.811 1.00 0.00 O ATOM 268 OE2 GLU A 19 -9.540 -5.272 4.813 1.00 0.00 O ATOM 0 H GLU A 19 -4.972 -6.211 2.933 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.159 -5.380 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.240 -5.265 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.269 -6.573 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.046 -5.566 4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.754 -3.986 3.900 1.00 0.00 H new ATOM 275 N PRO A 20 -6.929 -2.947 0.595 1.00 0.00 N ATOM 276 CA PRO A 20 -7.052 -1.516 0.379 1.00 0.00 C ATOM 277 C PRO A 20 -7.941 -0.875 1.448 1.00 0.00 C ATOM 278 O PRO A 20 -9.050 -1.342 1.699 1.00 0.00 O ATOM 279 CB PRO A 20 -7.617 -1.376 -1.025 1.00 0.00 C ATOM 280 CG PRO A 20 -8.223 -2.728 -1.367 1.00 0.00 C ATOM 281 CD PRO A 20 -7.718 -3.736 -0.347 1.00 0.00 C ATOM 0 HA PRO A 20 -6.098 -0.995 0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.370 -0.589 -1.066 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.835 -1.107 -1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.311 -2.675 -1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.939 -3.030 -2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.544 -4.240 0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.113 -4.509 -0.820 1.00 0.00 H new ATOM 289 N ARG A 21 -7.419 0.185 2.048 1.00 0.00 N ATOM 290 CA ARG A 21 -8.152 0.895 3.083 1.00 0.00 C ATOM 291 C ARG A 21 -8.664 2.233 2.548 1.00 0.00 C ATOM 292 O ARG A 21 -8.359 2.612 1.418 1.00 0.00 O ATOM 293 CB ARG A 21 -7.269 1.147 4.307 1.00 0.00 C ATOM 294 CG ARG A 21 -6.253 2.257 4.032 1.00 0.00 C ATOM 295 CD ARG A 21 -5.437 2.576 5.286 1.00 0.00 C ATOM 296 NE ARG A 21 -6.325 2.631 6.468 1.00 0.00 N ATOM 297 CZ ARG A 21 -6.651 1.566 7.213 1.00 0.00 C ATOM 298 NH1 ARG A 21 -6.163 0.357 6.903 1.00 0.00 N ATOM 299 NH2 ARG A 21 -7.464 1.709 8.268 1.00 0.00 N ATOM 0 H ARG A 21 -6.498 0.569 1.837 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.996 0.272 3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.892 1.422 5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.746 0.230 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.585 1.952 3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.772 3.154 3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.669 1.816 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.923 3.529 5.163 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.713 3.536 6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.544 0.248 6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.411 -0.454 7.470 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.835 2.629 8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.712 0.898 8.835 1.00 0.00 H new ATOM 313 N HIS A 22 -9.435 2.912 3.384 1.00 0.00 N ATOM 314 CA HIS A 22 -9.993 4.201 3.010 1.00 0.00 C ATOM 315 C HIS A 22 -9.575 5.258 4.034 1.00 0.00 C ATOM 316 O HIS A 22 -10.256 5.456 5.039 1.00 0.00 O ATOM 317 CB HIS A 22 -11.510 4.107 2.839 1.00 0.00 C ATOM 318 CG HIS A 22 -11.944 3.332 1.618 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.487 2.056 1.338 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.798 3.665 0.608 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.046 1.650 0.208 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.858 2.649 -0.243 1.00 0.00 N ATOM 0 H HIS A 22 -9.687 2.594 4.320 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.595 4.507 2.042 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.937 3.637 3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.922 5.115 2.782 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.335 4.598 0.517 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.887 0.696 -0.272 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.419 2.620 -1.094 1.00 0.00 H new ATOM 330 N VAL A 23 -8.459 5.909 3.743 1.00 0.00 N ATOM 331 CA VAL A 23 -7.943 6.941 4.626 1.00 0.00 C ATOM 332 C VAL A 23 -8.749 8.226 4.427 1.00 0.00 C ATOM 333 O VAL A 23 -8.704 8.833 3.358 1.00 0.00 O ATOM 334 CB VAL A 23 -6.444 7.133 4.387 1.00 0.00 C ATOM 335 CG1 VAL A 23 -5.945 8.424 5.039 1.00 0.00 C ATOM 336 CG2 VAL A 23 -5.650 5.925 4.886 1.00 0.00 C ATOM 0 H VAL A 23 -7.897 5.742 2.908 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.057 6.644 5.668 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.285 7.218 3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.877 8.536 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.478 9.275 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.125 8.382 6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.588 6.087 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.819 5.795 5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.976 5.031 4.355 1.00 0.00 H new ATOM 346 N LYS A 24 -9.468 8.604 5.475 1.00 0.00 N ATOM 347 CA LYS A 24 -10.283 9.806 5.429 1.00 0.00 C ATOM 348 C LYS A 24 -9.440 11.006 5.863 1.00 0.00 C ATOM 349 O LYS A 24 -8.520 10.864 6.668 1.00 0.00 O ATOM 350 CB LYS A 24 -11.559 9.620 6.253 1.00 0.00 C ATOM 351 CG LYS A 24 -12.447 10.863 6.176 1.00 0.00 C ATOM 352 CD LYS A 24 -13.928 10.478 6.152 1.00 0.00 C ATOM 353 CE LYS A 24 -14.760 11.542 5.433 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.130 11.593 5.990 1.00 0.00 N ATOM 0 H LYS A 24 -9.503 8.099 6.360 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.615 10.002 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.109 8.753 5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.299 9.418 7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.249 11.509 7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.202 11.435 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.049 9.517 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.292 10.355 7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.283 12.516 5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.803 11.319 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.681 12.320 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.589 10.667 5.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.085 11.827 7.002 1.00 0.00 H new ATOM 368 N VAL A 25 -9.783 12.161 5.312 1.00 0.00 N ATOM 369 CA VAL A 25 -9.068 13.385 5.632 1.00 0.00 C ATOM 370 C VAL A 25 -10.077 14.502 5.908 1.00 0.00 C ATOM 371 O VAL A 25 -11.190 14.481 5.384 1.00 0.00 O ATOM 372 CB VAL A 25 -8.088 13.728 4.509 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.077 14.781 4.966 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.378 12.472 3.998 1.00 0.00 C ATOM 0 H VAL A 25 -10.547 12.275 4.646 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.472 13.254 6.535 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.660 14.149 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.392 15.007 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.604 15.689 5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.513 14.399 5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.687 12.744 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.825 12.009 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.116 11.767 3.614 1.00 0.00 H new ATOM 384 N GLN A 26 -9.652 15.450 6.729 1.00 0.00 N ATOM 385 CA GLN A 26 -10.504 16.574 7.080 1.00 0.00 C ATOM 386 C GLN A 26 -9.744 17.890 6.909 1.00 0.00 C ATOM 387 O GLN A 26 -9.707 18.713 7.823 1.00 0.00 O ATOM 388 CB GLN A 26 -11.040 16.431 8.506 1.00 0.00 C ATOM 389 CG GLN A 26 -10.065 15.641 9.381 1.00 0.00 C ATOM 390 CD GLN A 26 -10.191 16.051 10.850 1.00 0.00 C ATOM 391 OE1 GLN A 26 -9.914 17.176 11.232 1.00 0.00 O ATOM 392 NE2 GLN A 26 -10.622 15.079 11.648 1.00 0.00 N ATOM 0 H GLN A 26 -8.728 15.463 7.162 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.359 16.581 6.405 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.204 17.418 8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.007 15.928 8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.262 14.574 9.279 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.044 15.811 9.039 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.836 14.159 11.262 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.739 15.253 12.646 1.00 0.00 H new ATOM 401 N LYS A 27 -9.156 18.049 5.733 1.00 0.00 N ATOM 402 CA LYS A 27 -8.399 19.252 5.431 1.00 0.00 C ATOM 403 C LYS A 27 -9.132 20.468 6.001 1.00 0.00 C ATOM 404 O LYS A 27 -8.904 20.855 7.146 1.00 0.00 O ATOM 405 CB LYS A 27 -8.123 19.349 3.929 1.00 0.00 C ATOM 406 CG LYS A 27 -6.726 18.822 3.593 1.00 0.00 C ATOM 407 CD LYS A 27 -6.787 17.784 2.471 1.00 0.00 C ATOM 408 CE LYS A 27 -6.265 18.367 1.156 1.00 0.00 C ATOM 409 NZ LYS A 27 -6.281 17.339 0.091 1.00 0.00 N ATOM 0 H LYS A 27 -9.188 17.365 4.977 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.421 19.216 5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.872 18.779 3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.212 20.386 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.084 19.650 3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.278 18.377 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.195 16.911 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.815 17.445 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.880 19.217 0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.250 18.740 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.431 17.438 -0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.295 16.393 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.128 17.463 -0.499 1.00 0.00 H new ATOM 423 N GLY A 28 -9.999 21.037 5.175 1.00 0.00 N ATOM 424 CA GLY A 28 -10.767 22.201 5.583 1.00 0.00 C ATOM 425 C GLY A 28 -10.120 23.490 5.074 1.00 0.00 C ATOM 426 O GLY A 28 -10.295 23.861 3.914 1.00 0.00 O ATOM 0 H GLY A 28 -10.186 20.713 4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.784 22.124 5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.839 22.231 6.670 1.00 0.00 H new ATOM 430 N SER A 29 -9.387 24.139 5.966 1.00 0.00 N ATOM 431 CA SER A 29 -8.713 25.380 5.621 1.00 0.00 C ATOM 432 C SER A 29 -7.198 25.168 5.615 1.00 0.00 C ATOM 433 O SER A 29 -6.437 26.100 5.870 1.00 0.00 O ATOM 434 CB SER A 29 -9.089 26.499 6.595 1.00 0.00 C ATOM 435 OG SER A 29 -9.486 27.687 5.915 1.00 0.00 O ATOM 0 H SER A 29 -9.245 23.829 6.927 1.00 0.00 H new ATOM 0 HA SER A 29 -9.035 25.679 4.624 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.901 26.161 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.239 26.718 7.241 1.00 0.00 H new ATOM 0 HG SER A 29 -9.720 28.377 6.571 1.00 0.00 H new ATOM 441 N GLU A 30 -6.806 23.937 5.320 1.00 0.00 N ATOM 442 CA GLU A 30 -5.395 23.592 5.276 1.00 0.00 C ATOM 443 C GLU A 30 -5.143 22.522 4.212 1.00 0.00 C ATOM 444 O GLU A 30 -6.045 21.759 3.868 1.00 0.00 O ATOM 445 CB GLU A 30 -4.902 23.127 6.648 1.00 0.00 C ATOM 446 CG GLU A 30 -4.390 24.307 7.476 1.00 0.00 C ATOM 447 CD GLU A 30 -2.942 24.644 7.112 1.00 0.00 C ATOM 448 OE1 GLU A 30 -2.050 23.927 7.612 1.00 0.00 O ATOM 449 OE2 GLU A 30 -2.762 25.612 6.341 1.00 0.00 O ATOM 0 H GLU A 30 -7.440 23.167 5.109 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.831 24.485 5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.713 22.629 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.106 22.393 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.024 25.177 7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.456 24.067 8.537 1.00 0.00 H new ATOM 456 N PRO A 31 -3.881 22.501 3.706 1.00 0.00 N ATOM 457 CA PRO A 31 -3.499 21.537 2.687 1.00 0.00 C ATOM 458 C PRO A 31 -3.318 20.143 3.291 1.00 0.00 C ATOM 459 O PRO A 31 -3.432 19.969 4.504 1.00 0.00 O ATOM 460 CB PRO A 31 -2.221 22.092 2.080 1.00 0.00 C ATOM 461 CG PRO A 31 -1.683 23.096 3.087 1.00 0.00 C ATOM 462 CD PRO A 31 -2.788 23.389 4.089 1.00 0.00 C ATOM 0 HA PRO A 31 -4.264 21.408 1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.498 21.297 1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.420 22.569 1.120 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.805 22.695 3.593 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.371 24.011 2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.459 23.194 5.110 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.094 24.434 4.047 1.00 0.00 H new ATOM 470 N LEU A 32 -3.039 19.187 2.418 1.00 0.00 N ATOM 471 CA LEU A 32 -2.841 17.814 2.850 1.00 0.00 C ATOM 472 C LEU A 32 -1.433 17.663 3.428 1.00 0.00 C ATOM 473 O LEU A 32 -1.261 17.136 4.526 1.00 0.00 O ATOM 474 CB LEU A 32 -3.144 16.843 1.707 1.00 0.00 C ATOM 475 CG LEU A 32 -3.154 15.358 2.073 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.201 15.065 3.149 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.351 14.488 0.830 1.00 0.00 C ATOM 0 H LEU A 32 -2.945 19.336 1.413 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.541 17.561 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.116 17.100 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.406 16.998 0.920 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.181 15.104 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.187 14.002 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.974 15.644 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.189 15.340 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.354 13.437 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.301 14.738 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.538 14.669 0.127 1.00 0.00 H new ATOM 489 N GLY A 33 -0.460 18.137 2.663 1.00 0.00 N ATOM 490 CA GLY A 33 0.928 18.062 3.084 1.00 0.00 C ATOM 491 C GLY A 33 1.486 16.651 2.885 1.00 0.00 C ATOM 492 O GLY A 33 1.773 15.950 3.855 1.00 0.00 O ATOM 0 H GLY A 33 -0.606 18.575 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.523 18.776 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.009 18.344 4.134 1.00 0.00 H new ATOM 496 N ILE A 34 1.624 16.277 1.622 1.00 0.00 N ATOM 497 CA ILE A 34 2.143 14.963 1.283 1.00 0.00 C ATOM 498 C ILE A 34 2.893 15.043 -0.049 1.00 0.00 C ATOM 499 O ILE A 34 2.676 15.965 -0.833 1.00 0.00 O ATOM 500 CB ILE A 34 1.020 13.924 1.295 1.00 0.00 C ATOM 501 CG1 ILE A 34 -0.131 14.350 0.381 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.546 13.645 2.723 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.548 13.207 -0.545 1.00 0.00 C ATOM 0 H ILE A 34 1.385 16.861 0.821 1.00 0.00 H new ATOM 0 HA ILE A 34 2.861 14.632 2.034 1.00 0.00 H new ATOM 0 HB ILE A 34 1.416 12.989 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.983 14.663 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.172 15.212 -0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.252 12.903 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.379 13.266 3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.173 14.567 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.367 13.537 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.299 12.913 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.873 12.355 0.052 1.00 0.00 H new ATOM 515 N SER A 35 3.759 14.064 -0.263 1.00 0.00 N ATOM 516 CA SER A 35 4.542 14.012 -1.486 1.00 0.00 C ATOM 517 C SER A 35 4.169 12.767 -2.293 1.00 0.00 C ATOM 518 O SER A 35 3.914 11.707 -1.724 1.00 0.00 O ATOM 519 CB SER A 35 6.042 14.017 -1.181 1.00 0.00 C ATOM 520 OG SER A 35 6.811 14.468 -2.292 1.00 0.00 O ATOM 0 H SER A 35 3.936 13.300 0.390 1.00 0.00 H new ATOM 0 HA SER A 35 4.316 14.901 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.235 14.659 -0.322 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.359 13.011 -0.905 1.00 0.00 H new ATOM 0 HG SER A 35 7.739 14.611 -2.011 1.00 0.00 H new ATOM 526 N ILE A 36 4.150 12.937 -3.607 1.00 0.00 N ATOM 527 CA ILE A 36 3.812 11.840 -4.499 1.00 0.00 C ATOM 528 C ILE A 36 4.808 11.808 -5.660 1.00 0.00 C ATOM 529 O ILE A 36 5.351 12.842 -6.046 1.00 0.00 O ATOM 530 CB ILE A 36 2.352 11.941 -4.943 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.135 13.161 -5.841 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.410 11.943 -3.738 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.187 12.770 -7.320 1.00 0.00 C ATOM 0 H ILE A 36 4.363 13.818 -4.076 1.00 0.00 H new ATOM 0 HA ILE A 36 3.897 10.886 -3.979 1.00 0.00 H new ATOM 0 HB ILE A 36 2.114 11.058 -5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.171 13.616 -5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.898 13.911 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.378 12.016 -4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.540 11.020 -3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.640 12.795 -3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.030 13.655 -7.936 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.161 12.337 -7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.407 12.038 -7.531 1.00 0.00 H new ATOM 545 N VAL A 37 5.018 10.609 -6.184 1.00 0.00 N ATOM 546 CA VAL A 37 5.938 10.428 -7.293 1.00 0.00 C ATOM 547 C VAL A 37 5.325 9.460 -8.307 1.00 0.00 C ATOM 548 O VAL A 37 4.563 8.569 -7.937 1.00 0.00 O ATOM 549 CB VAL A 37 7.300 9.965 -6.773 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.731 10.787 -5.556 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.283 8.470 -6.446 1.00 0.00 C ATOM 0 H VAL A 37 4.566 9.754 -5.861 1.00 0.00 H new ATOM 0 HA VAL A 37 6.106 11.374 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 37 8.033 10.127 -7.564 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.702 10.437 -5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.802 11.839 -5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.996 10.671 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.263 8.167 -6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.532 8.273 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.042 7.904 -7.345 1.00 0.00 H new ATOM 561 N SER A 38 5.681 9.669 -9.566 1.00 0.00 N ATOM 562 CA SER A 38 5.175 8.826 -10.636 1.00 0.00 C ATOM 563 C SER A 38 6.215 7.766 -11.004 1.00 0.00 C ATOM 564 O SER A 38 7.417 8.023 -10.941 1.00 0.00 O ATOM 565 CB SER A 38 4.807 9.658 -11.866 1.00 0.00 C ATOM 566 OG SER A 38 4.312 8.849 -12.930 1.00 0.00 O ATOM 0 H SER A 38 6.314 10.410 -9.869 1.00 0.00 H new ATOM 0 HA SER A 38 4.271 8.331 -10.282 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.054 10.397 -11.592 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.684 10.208 -12.207 1.00 0.00 H new ATOM 0 HG SER A 38 4.087 9.418 -13.696 1.00 0.00 H new ATOM 572 N GLY A 39 5.716 6.598 -11.380 1.00 0.00 N ATOM 573 CA GLY A 39 6.588 5.499 -11.758 1.00 0.00 C ATOM 574 C GLY A 39 6.713 5.397 -13.280 1.00 0.00 C ATOM 575 O GLY A 39 6.132 6.199 -14.009 1.00 0.00 O ATOM 0 H GLY A 39 4.719 6.389 -11.431 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.574 5.645 -11.317 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.195 4.564 -11.358 1.00 0.00 H new ATOM 623 N GLY A 43 1.765 3.931 -11.438 1.00 0.00 N ATOM 624 CA GLY A 43 0.795 4.687 -10.663 1.00 0.00 C ATOM 625 C GLY A 43 1.480 5.792 -9.856 1.00 0.00 C ATOM 626 O GLY A 43 2.553 6.263 -10.228 1.00 0.00 O ATOM 0 HA2 GLY A 43 0.053 5.126 -11.330 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.261 4.017 -9.989 1.00 0.00 H new ATOM 630 N ILE A 44 0.830 6.172 -8.765 1.00 0.00 N ATOM 631 CA ILE A 44 1.363 7.213 -7.902 1.00 0.00 C ATOM 632 C ILE A 44 1.731 6.606 -6.547 1.00 0.00 C ATOM 633 O ILE A 44 0.998 5.774 -6.015 1.00 0.00 O ATOM 634 CB ILE A 44 0.382 8.383 -7.806 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.040 8.927 -9.194 1.00 0.00 C ATOM 636 CG2 ILE A 44 0.921 9.475 -6.879 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.206 9.732 -9.771 1.00 0.00 C ATOM 0 H ILE A 44 -0.060 5.778 -8.459 1.00 0.00 H new ATOM 0 HA ILE A 44 2.278 7.628 -8.325 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.546 8.016 -7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.202 8.101 -9.863 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.847 9.558 -9.133 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.205 10.295 -6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.073 9.063 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.870 9.846 -7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.936 10.107 -10.758 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.430 10.571 -9.113 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.084 9.092 -9.854 1.00 0.00 H new ATOM 649 N TYR A 45 2.867 7.047 -6.026 1.00 0.00 N ATOM 650 CA TYR A 45 3.341 6.558 -4.743 1.00 0.00 C ATOM 651 C TYR A 45 3.738 7.717 -3.826 1.00 0.00 C ATOM 652 O TYR A 45 4.273 8.724 -4.289 1.00 0.00 O ATOM 653 CB TYR A 45 4.582 5.715 -5.045 1.00 0.00 C ATOM 654 CG TYR A 45 4.310 4.507 -5.944 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.225 4.670 -7.311 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.149 3.255 -5.386 1.00 0.00 C ATOM 657 CE1 TYR A 45 3.969 3.533 -8.157 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.892 2.118 -6.232 1.00 0.00 C ATOM 659 CZ TYR A 45 3.815 2.313 -7.576 1.00 0.00 C ATOM 660 OH TYR A 45 3.573 1.239 -8.375 1.00 0.00 O ATOM 0 H TYR A 45 3.473 7.738 -6.469 1.00 0.00 H new ATOM 0 HA TYR A 45 2.561 5.988 -4.238 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.331 6.348 -5.521 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.009 5.366 -4.105 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.350 5.650 -7.747 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.216 3.128 -4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.901 3.647 -9.229 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.763 1.133 -5.809 1.00 0.00 H new ATOM 0 HH TYR A 45 3.486 0.434 -7.823 1.00 0.00 H new ATOM 670 N VAL A 46 3.460 7.538 -2.543 1.00 0.00 N ATOM 671 CA VAL A 46 3.782 8.556 -1.558 1.00 0.00 C ATOM 672 C VAL A 46 5.301 8.667 -1.422 1.00 0.00 C ATOM 673 O VAL A 46 5.983 7.667 -1.200 1.00 0.00 O ATOM 674 CB VAL A 46 3.084 8.241 -0.233 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.618 9.130 0.892 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.566 8.378 -0.367 1.00 0.00 C ATOM 0 H VAL A 46 3.015 6.703 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 46 3.414 9.530 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 46 3.305 7.205 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.106 8.886 1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.688 8.962 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.441 10.177 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.094 8.149 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.317 9.398 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.204 7.685 -1.126 1.00 0.00 H new ATOM 686 N SER A 47 5.789 9.891 -1.561 1.00 0.00 N ATOM 687 CA SER A 47 7.215 10.145 -1.457 1.00 0.00 C ATOM 688 C SER A 47 7.560 10.620 -0.044 1.00 0.00 C ATOM 689 O SER A 47 8.685 10.437 0.420 1.00 0.00 O ATOM 690 CB SER A 47 7.668 11.179 -2.489 1.00 0.00 C ATOM 691 OG SER A 47 8.413 12.238 -1.894 1.00 0.00 O ATOM 0 H SER A 47 5.221 10.718 -1.745 1.00 0.00 H new ATOM 0 HA SER A 47 7.743 9.214 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.277 10.690 -3.249 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.796 11.590 -2.997 1.00 0.00 H new ATOM 0 HG SER A 47 8.685 12.876 -2.586 1.00 0.00 H new ATOM 697 N LYS A 48 6.571 11.220 0.602 1.00 0.00 N ATOM 698 CA LYS A 48 6.756 11.723 1.953 1.00 0.00 C ATOM 699 C LYS A 48 5.442 12.329 2.451 1.00 0.00 C ATOM 700 O LYS A 48 4.510 12.525 1.672 1.00 0.00 O ATOM 701 CB LYS A 48 7.939 12.692 2.007 1.00 0.00 C ATOM 702 CG LYS A 48 8.679 12.579 3.342 1.00 0.00 C ATOM 703 CD LYS A 48 10.154 12.239 3.124 1.00 0.00 C ATOM 704 CE LYS A 48 11.046 13.023 4.088 1.00 0.00 C ATOM 705 NZ LYS A 48 12.442 13.050 3.596 1.00 0.00 N ATOM 0 H LYS A 48 5.639 11.369 0.215 1.00 0.00 H new ATOM 0 HA LYS A 48 7.010 10.908 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.625 12.480 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.584 13.713 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.596 13.518 3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.212 11.810 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.309 11.170 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.435 12.467 2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.671 14.041 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.011 12.567 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.034 13.586 4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.802 12.077 3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.472 13.506 2.662 1.00 0.00 H new ATOM 719 N VAL A 49 5.409 12.608 3.746 1.00 0.00 N ATOM 720 CA VAL A 49 4.225 13.187 4.357 1.00 0.00 C ATOM 721 C VAL A 49 4.644 14.073 5.532 1.00 0.00 C ATOM 722 O VAL A 49 5.347 13.621 6.435 1.00 0.00 O ATOM 723 CB VAL A 49 3.250 12.079 4.761 1.00 0.00 C ATOM 724 CG1 VAL A 49 3.979 10.942 5.480 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.116 12.635 5.625 1.00 0.00 C ATOM 0 H VAL A 49 6.184 12.444 4.389 1.00 0.00 H new ATOM 0 HA VAL A 49 3.698 13.821 3.644 1.00 0.00 H new ATOM 0 HB VAL A 49 2.810 11.672 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.263 10.168 5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.734 10.518 4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.460 11.329 6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.437 11.827 5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.532 13.081 6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.570 13.394 5.064 1.00 0.00 H new ATOM 735 N THR A 50 4.196 15.318 5.481 1.00 0.00 N ATOM 736 CA THR A 50 4.515 16.272 6.530 1.00 0.00 C ATOM 737 C THR A 50 4.053 15.744 7.890 1.00 0.00 C ATOM 738 O THR A 50 3.161 14.900 7.961 1.00 0.00 O ATOM 739 CB THR A 50 3.888 17.616 6.155 1.00 0.00 C ATOM 740 OG1 THR A 50 4.562 17.991 4.957 1.00 0.00 O ATOM 741 CG2 THR A 50 4.244 18.726 7.146 1.00 0.00 C ATOM 0 H THR A 50 3.614 15.689 4.730 1.00 0.00 H new ATOM 0 HA THR A 50 5.592 16.414 6.620 1.00 0.00 H new ATOM 0 HB THR A 50 2.804 17.509 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.215 18.852 4.642 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.774 19.658 6.833 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.887 18.455 8.140 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.326 18.857 7.173 1.00 0.00 H new ATOM 749 N VAL A 51 4.680 16.264 8.935 1.00 0.00 N ATOM 750 CA VAL A 51 4.344 15.855 10.288 1.00 0.00 C ATOM 751 C VAL A 51 3.416 16.898 10.915 1.00 0.00 C ATOM 752 O VAL A 51 3.726 18.088 10.919 1.00 0.00 O ATOM 753 CB VAL A 51 5.621 15.628 11.099 1.00 0.00 C ATOM 754 CG1 VAL A 51 5.341 15.715 12.600 1.00 0.00 C ATOM 755 CG2 VAL A 51 6.267 14.288 10.739 1.00 0.00 C ATOM 0 H VAL A 51 5.419 16.965 8.872 1.00 0.00 H new ATOM 0 HA VAL A 51 3.808 14.906 10.278 1.00 0.00 H new ATOM 0 HB VAL A 51 6.325 16.420 10.844 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.266 15.550 13.153 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.946 16.702 12.840 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.611 14.955 12.879 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.173 14.151 11.329 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.569 13.479 10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.520 14.279 9.679 1.00 0.00 H new ATOM 765 N GLY A 52 2.296 16.413 11.431 1.00 0.00 N ATOM 766 CA GLY A 52 1.321 17.288 12.059 1.00 0.00 C ATOM 767 C GLY A 52 0.335 17.840 11.028 1.00 0.00 C ATOM 768 O GLY A 52 -0.691 18.415 11.390 1.00 0.00 O ATOM 0 H GLY A 52 2.042 15.425 11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.778 16.740 12.829 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.833 18.112 12.555 1.00 0.00 H new ATOM 772 N SER A 53 0.680 17.646 9.764 1.00 0.00 N ATOM 773 CA SER A 53 -0.163 18.117 8.678 1.00 0.00 C ATOM 774 C SER A 53 -1.420 17.250 8.576 1.00 0.00 C ATOM 775 O SER A 53 -1.446 16.128 9.078 1.00 0.00 O ATOM 776 CB SER A 53 0.596 18.110 7.349 1.00 0.00 C ATOM 777 OG SER A 53 0.913 16.787 6.923 1.00 0.00 O ATOM 0 H SER A 53 1.532 17.169 9.467 1.00 0.00 H new ATOM 0 HA SER A 53 -0.455 19.145 8.893 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.006 18.603 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.515 18.688 7.453 1.00 0.00 H new ATOM 0 HG SER A 53 0.362 16.552 6.148 1.00 0.00 H new ATOM 783 N ILE A 54 -2.431 17.804 7.923 1.00 0.00 N ATOM 784 CA ILE A 54 -3.687 17.096 7.750 1.00 0.00 C ATOM 785 C ILE A 54 -3.402 15.612 7.510 1.00 0.00 C ATOM 786 O ILE A 54 -3.924 14.754 8.220 1.00 0.00 O ATOM 787 CB ILE A 54 -4.522 17.748 6.645 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.923 19.173 7.030 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.736 16.886 6.294 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.884 19.170 8.219 1.00 0.00 C ATOM 0 H ILE A 54 -2.405 18.735 7.507 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.290 17.163 8.656 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.907 17.818 5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.033 19.750 7.279 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.394 19.665 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.312 17.372 5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.400 15.909 5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.362 16.762 7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.153 20.196 8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.784 18.613 7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.401 18.700 9.076 1.00 0.00 H new ATOM 802 N ALA A 55 -2.574 15.355 6.508 1.00 0.00 N ATOM 803 CA ALA A 55 -2.214 13.990 6.167 1.00 0.00 C ATOM 804 C ALA A 55 -1.823 13.236 7.440 1.00 0.00 C ATOM 805 O ALA A 55 -2.497 12.286 7.834 1.00 0.00 O ATOM 806 CB ALA A 55 -1.090 14.003 5.129 1.00 0.00 C ATOM 0 H ALA A 55 -2.142 16.069 5.922 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.062 13.469 5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.819 12.979 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.428 14.524 4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.221 14.516 5.541 1.00 0.00 H new ATOM 812 N HIS A 56 -0.736 13.689 8.047 1.00 0.00 N ATOM 813 CA HIS A 56 -0.247 13.070 9.267 1.00 0.00 C ATOM 814 C HIS A 56 -1.431 12.687 10.158 1.00 0.00 C ATOM 815 O HIS A 56 -1.479 11.579 10.690 1.00 0.00 O ATOM 816 CB HIS A 56 0.756 13.982 9.975 1.00 0.00 C ATOM 817 CG HIS A 56 1.894 13.244 10.640 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.968 13.059 12.010 1.00 0.00 N ATOM 819 CD2 HIS A 56 3.000 12.647 10.110 1.00 0.00 C ATOM 820 CE1 HIS A 56 3.074 12.381 12.281 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.712 12.127 11.102 1.00 0.00 N ATOM 0 H HIS A 56 -0.180 14.478 7.716 1.00 0.00 H new ATOM 0 HA HIS A 56 0.292 12.154 9.023 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.167 14.685 9.250 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.229 14.570 10.727 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.253 12.605 9.061 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.411 12.082 13.263 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.592 11.621 11.000 1.00 0.00 H new ATOM 829 N GLN A 57 -2.357 13.625 10.292 1.00 0.00 N ATOM 830 CA GLN A 57 -3.537 13.399 11.109 1.00 0.00 C ATOM 831 C GLN A 57 -4.366 12.247 10.538 1.00 0.00 C ATOM 832 O GLN A 57 -4.794 11.360 11.275 1.00 0.00 O ATOM 833 CB GLN A 57 -4.376 14.673 11.224 1.00 0.00 C ATOM 834 CG GLN A 57 -3.486 15.897 11.449 1.00 0.00 C ATOM 835 CD GLN A 57 -4.260 17.016 12.150 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.010 16.795 13.086 1.00 0.00 O ATOM 837 NE2 GLN A 57 -4.036 18.226 11.646 1.00 0.00 N ATOM 0 H GLN A 57 -2.314 14.543 9.849 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.212 13.124 12.113 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.964 14.809 10.316 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.081 14.575 12.049 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.621 15.617 12.050 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.107 16.256 10.492 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.395 18.341 10.861 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.505 19.039 12.045 1.00 0.00 H new ATOM 846 N ALA A 58 -4.567 12.297 9.229 1.00 0.00 N ATOM 847 CA ALA A 58 -5.337 11.268 8.551 1.00 0.00 C ATOM 848 C ALA A 58 -4.652 9.914 8.744 1.00 0.00 C ATOM 849 O ALA A 58 -5.318 8.903 8.964 1.00 0.00 O ATOM 850 CB ALA A 58 -5.492 11.637 7.074 1.00 0.00 C ATOM 0 H ALA A 58 -4.210 13.034 8.620 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.338 11.195 8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.070 10.865 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.010 12.593 6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.507 11.716 6.613 1.00 0.00 H new ATOM 856 N GLY A 59 -3.330 9.937 8.655 1.00 0.00 N ATOM 857 CA GLY A 59 -2.548 8.723 8.817 1.00 0.00 C ATOM 858 C GLY A 59 -1.981 8.253 7.477 1.00 0.00 C ATOM 859 O GLY A 59 -2.114 7.084 7.118 1.00 0.00 O ATOM 0 H GLY A 59 -2.781 10.777 8.473 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.733 8.902 9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.172 7.939 9.247 1.00 0.00 H new ATOM 863 N LEU A 60 -1.361 9.188 6.772 1.00 0.00 N ATOM 864 CA LEU A 60 -0.773 8.883 5.478 1.00 0.00 C ATOM 865 C LEU A 60 0.707 8.541 5.663 1.00 0.00 C ATOM 866 O LEU A 60 1.417 9.219 6.405 1.00 0.00 O ATOM 867 CB LEU A 60 -1.021 10.029 4.495 1.00 0.00 C ATOM 868 CG LEU A 60 -2.377 10.022 3.786 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.582 11.308 2.983 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.536 8.773 2.918 1.00 0.00 C ATOM 0 H LEU A 60 -1.253 10.157 7.072 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.250 8.007 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.919 10.971 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.237 10.008 3.738 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.159 9.988 4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.553 11.278 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.543 12.166 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.796 11.398 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.508 8.793 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.748 8.751 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.465 7.883 3.544 1.00 0.00 H new ATOM 882 N GLU A 61 1.129 7.490 4.976 1.00 0.00 N ATOM 883 CA GLU A 61 2.511 7.050 5.055 1.00 0.00 C ATOM 884 C GLU A 61 3.069 6.797 3.653 1.00 0.00 C ATOM 885 O GLU A 61 2.321 6.789 2.676 1.00 0.00 O ATOM 886 CB GLU A 61 2.640 5.801 5.930 1.00 0.00 C ATOM 887 CG GLU A 61 1.943 4.603 5.281 1.00 0.00 C ATOM 888 CD GLU A 61 0.973 3.937 6.259 1.00 0.00 C ATOM 889 OE1 GLU A 61 -0.180 4.414 6.328 1.00 0.00 O ATOM 890 OE2 GLU A 61 1.407 2.965 6.915 1.00 0.00 O ATOM 0 H GLU A 61 0.538 6.930 4.362 1.00 0.00 H new ATOM 0 HA GLU A 61 3.097 7.842 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.694 5.571 6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.204 5.993 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.402 4.930 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.688 3.879 4.952 1.00 0.00 H new ATOM 897 N TYR A 62 4.377 6.596 3.598 1.00 0.00 N ATOM 898 CA TYR A 62 5.043 6.343 2.332 1.00 0.00 C ATOM 899 C TYR A 62 4.903 4.876 1.922 1.00 0.00 C ATOM 900 O TYR A 62 4.790 3.997 2.775 1.00 0.00 O ATOM 901 CB TYR A 62 6.523 6.656 2.564 1.00 0.00 C ATOM 902 CG TYR A 62 7.400 6.473 1.324 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.601 5.212 0.801 1.00 0.00 C ATOM 904 CD2 TYR A 62 7.990 7.569 0.728 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.426 5.039 -0.366 1.00 0.00 C ATOM 906 CE2 TYR A 62 8.815 7.397 -0.439 1.00 0.00 C ATOM 907 CZ TYR A 62 8.993 6.140 -0.929 1.00 0.00 C ATOM 908 OH TYR A 62 9.772 5.978 -2.031 1.00 0.00 O ATOM 0 H TYR A 62 4.994 6.603 4.410 1.00 0.00 H new ATOM 0 HA TYR A 62 4.606 6.951 1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.616 7.684 2.913 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.899 6.014 3.360 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.139 4.354 1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.833 8.556 1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.591 4.057 -0.785 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.282 8.246 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 62 10.109 6.850 -2.325 1.00 0.00 H new ATOM 918 N GLY A 63 4.914 4.657 0.615 1.00 0.00 N ATOM 919 CA GLY A 63 4.790 3.311 0.081 1.00 0.00 C ATOM 920 C GLY A 63 3.320 2.930 -0.107 1.00 0.00 C ATOM 921 O GLY A 63 3.008 1.978 -0.821 1.00 0.00 O ATOM 0 H GLY A 63 5.007 5.389 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.312 3.245 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.270 2.602 0.756 1.00 0.00 H new ATOM 925 N ASP A 64 2.456 3.693 0.546 1.00 0.00 N ATOM 926 CA ASP A 64 1.026 3.447 0.460 1.00 0.00 C ATOM 927 C ASP A 64 0.516 3.905 -0.908 1.00 0.00 C ATOM 928 O ASP A 64 0.137 5.063 -1.078 1.00 0.00 O ATOM 929 CB ASP A 64 0.267 4.230 1.533 1.00 0.00 C ATOM 930 CG ASP A 64 -0.427 3.370 2.591 1.00 0.00 C ATOM 931 OD1 ASP A 64 0.181 2.350 2.981 1.00 0.00 O ATOM 932 OD2 ASP A 64 -1.549 3.752 2.987 1.00 0.00 O ATOM 0 H ASP A 64 2.718 4.482 1.137 1.00 0.00 H new ATOM 0 HA ASP A 64 0.858 2.380 0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.965 4.902 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.482 4.854 1.045 1.00 0.00 H new ATOM 937 N GLN A 65 0.523 2.972 -1.849 1.00 0.00 N ATOM 938 CA GLN A 65 0.065 3.264 -3.197 1.00 0.00 C ATOM 939 C GLN A 65 -1.383 3.755 -3.171 1.00 0.00 C ATOM 940 O GLN A 65 -2.257 3.094 -2.611 1.00 0.00 O ATOM 941 CB GLN A 65 0.213 2.041 -4.104 1.00 0.00 C ATOM 942 CG GLN A 65 0.466 2.461 -5.553 1.00 0.00 C ATOM 943 CD GLN A 65 -0.138 1.450 -6.530 1.00 0.00 C ATOM 944 OE1 GLN A 65 0.363 0.353 -6.718 1.00 0.00 O ATOM 945 NE2 GLN A 65 -1.240 1.878 -7.139 1.00 0.00 N ATOM 0 H GLN A 65 0.839 2.013 -1.704 1.00 0.00 H new ATOM 0 HA GLN A 65 0.690 4.057 -3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.037 1.420 -3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.690 1.432 -4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.035 3.446 -5.731 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.538 2.546 -5.729 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.607 2.808 -6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.719 1.276 -7.809 1.00 0.00 H new ATOM 954 N LEU A 66 -1.594 4.912 -3.783 1.00 0.00 N ATOM 955 CA LEU A 66 -2.922 5.499 -3.837 1.00 0.00 C ATOM 956 C LEU A 66 -3.660 4.967 -5.067 1.00 0.00 C ATOM 957 O LEU A 66 -3.366 5.366 -6.193 1.00 0.00 O ATOM 958 CB LEU A 66 -2.835 7.026 -3.784 1.00 0.00 C ATOM 959 CG LEU A 66 -1.777 7.605 -2.842 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.519 9.081 -3.150 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.165 7.383 -1.379 1.00 0.00 C ATOM 0 H LEU A 66 -0.867 5.458 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.505 5.206 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.637 7.394 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.809 7.416 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.841 7.073 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.763 9.469 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.166 9.182 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.443 9.645 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.396 7.804 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.118 7.872 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.258 6.314 -1.185 1.00 0.00 H new ATOM 973 N LEU A 67 -4.605 4.075 -4.811 1.00 0.00 N ATOM 974 CA LEU A 67 -5.388 3.485 -5.883 1.00 0.00 C ATOM 975 C LEU A 67 -6.394 4.514 -6.401 1.00 0.00 C ATOM 976 O LEU A 67 -6.434 4.802 -7.596 1.00 0.00 O ATOM 977 CB LEU A 67 -6.031 2.176 -5.419 1.00 0.00 C ATOM 978 CG LEU A 67 -5.071 1.016 -5.148 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.800 -0.157 -4.490 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.344 0.595 -6.427 1.00 0.00 C ATOM 0 H LEU A 67 -4.846 3.746 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.745 3.218 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.596 2.375 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.748 1.859 -6.176 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.312 1.358 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.095 -0.968 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.231 0.168 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.594 -0.508 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.668 -0.231 -6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.073 0.278 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.772 1.438 -6.815 1.00 0.00 H new ATOM 992 N GLU A 68 -7.182 5.042 -5.475 1.00 0.00 N ATOM 993 CA GLU A 68 -8.185 6.034 -5.823 1.00 0.00 C ATOM 994 C GLU A 68 -8.211 7.151 -4.779 1.00 0.00 C ATOM 995 O GLU A 68 -8.056 6.895 -3.586 1.00 0.00 O ATOM 996 CB GLU A 68 -9.565 5.389 -5.971 1.00 0.00 C ATOM 997 CG GLU A 68 -9.708 4.706 -7.333 1.00 0.00 C ATOM 998 CD GLU A 68 -9.795 3.187 -7.178 1.00 0.00 C ATOM 999 OE1 GLU A 68 -10.868 2.722 -6.736 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -8.786 2.524 -7.504 1.00 0.00 O ATOM 0 H GLU A 68 -7.146 4.801 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.919 6.470 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.716 4.658 -5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.339 6.148 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.601 5.075 -7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.857 4.963 -7.964 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.408 8.368 -5.265 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.457 9.526 -4.388 1.00 0.00 C ATOM 1009 C PHE A 69 -9.882 10.073 -4.280 1.00 0.00 C ATOM 1010 O PHE A 69 -10.374 10.720 -5.204 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.558 10.596 -5.011 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.350 11.826 -4.125 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.233 12.859 -4.177 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.282 11.886 -3.286 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.040 14.001 -3.355 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.088 13.028 -2.464 1.00 0.00 C ATOM 1017 CZ PHE A 69 -6.971 14.061 -2.516 1.00 0.00 C ATOM 0 H PHE A 69 -8.536 8.577 -6.255 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.127 9.249 -3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.587 10.154 -5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.991 10.913 -5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.081 12.811 -4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.581 11.065 -3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.741 14.821 -3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.239 13.076 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.823 14.929 -1.891 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.504 9.792 -3.145 1.00 0.00 N ATOM 1028 CA ASN A 70 -11.863 10.248 -2.904 1.00 0.00 C ATOM 1029 C ASN A 70 -12.683 10.094 -4.187 1.00 0.00 C ATOM 1030 O ASN A 70 -13.624 10.851 -4.421 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.886 11.724 -2.502 1.00 0.00 C ATOM 1032 CG ASN A 70 -11.520 12.620 -3.687 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -11.917 12.392 -4.818 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -10.744 13.651 -3.365 1.00 0.00 N ATOM 0 H ASN A 70 -10.093 9.254 -2.382 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.282 9.648 -2.096 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.877 11.989 -2.133 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.186 11.893 -1.684 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.446 14.309 -4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.447 13.784 -2.398 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.295 9.111 -4.986 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.982 8.849 -6.239 1.00 0.00 C ATOM 1043 C GLY A 71 -12.252 9.506 -7.412 1.00 0.00 C ATOM 1044 O GLY A 71 -12.803 10.380 -8.080 1.00 0.00 O ATOM 0 H GLY A 71 -11.513 8.486 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.048 7.774 -6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.003 9.227 -6.184 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.023 9.060 -7.627 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.212 9.594 -8.708 1.00 0.00 C ATOM 1050 C ILE A 72 -9.300 8.491 -9.249 1.00 0.00 C ATOM 1051 O ILE A 72 -8.884 7.604 -8.504 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.458 10.843 -8.246 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.214 12.115 -8.638 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.022 10.844 -8.774 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.637 12.905 -7.398 1.00 0.00 C ATOM 0 H ILE A 72 -10.569 8.335 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.845 9.919 -9.534 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.400 10.824 -7.158 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.582 12.737 -9.272 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.095 11.853 -9.225 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.509 11.742 -8.431 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.498 9.963 -8.404 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.035 10.827 -9.864 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -11.172 13.804 -7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -11.288 12.288 -6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.752 13.186 -6.827 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.016 8.581 -10.540 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.161 7.602 -11.188 1.00 0.00 C ATOM 1069 C ASN A 73 -6.696 7.972 -10.948 1.00 0.00 C ATOM 1070 O ASN A 73 -6.245 9.038 -11.363 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.400 7.576 -12.699 1.00 0.00 C ATOM 1072 CG ASN A 73 -7.789 6.323 -13.330 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -6.674 5.928 -13.033 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -8.580 5.723 -14.215 1.00 0.00 N ATOM 0 H ASN A 73 -9.363 9.317 -11.155 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.393 6.623 -10.769 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.471 7.604 -12.902 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.966 8.466 -13.155 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.264 4.879 -14.692 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.503 6.107 -14.417 1.00 0.00 H new ATOM 1081 N LEU A 74 -5.993 7.070 -10.279 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.588 7.288 -9.979 1.00 0.00 C ATOM 1083 C LEU A 74 -3.749 6.212 -10.673 1.00 0.00 C ATOM 1084 O LEU A 74 -2.668 6.498 -11.186 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.368 7.358 -8.466 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.929 8.596 -7.764 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -4.974 8.393 -6.248 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -4.142 9.850 -8.151 1.00 0.00 C ATOM 0 H LEU A 74 -6.370 6.186 -9.936 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.260 8.251 -10.371 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.815 6.473 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.297 7.309 -8.272 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.955 8.744 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.377 9.288 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.611 7.540 -6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.967 8.207 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.561 10.716 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.098 9.728 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.205 10.001 -9.229 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.280 4.998 -10.667 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.594 3.879 -11.290 1.00 0.00 C ATOM 1102 C ARG A 75 -3.008 4.300 -12.639 1.00 0.00 C ATOM 1103 O ARG A 75 -2.011 3.737 -13.089 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.545 2.699 -11.500 1.00 0.00 C ATOM 1105 CG ARG A 75 -4.332 1.626 -10.431 1.00 0.00 C ATOM 1106 CD ARG A 75 -5.005 0.311 -10.831 1.00 0.00 C ATOM 1107 NE ARG A 75 -4.283 -0.831 -10.227 1.00 0.00 N ATOM 1108 CZ ARG A 75 -4.624 -2.115 -10.408 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -5.677 -2.427 -11.175 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -3.911 -3.086 -9.821 1.00 0.00 N ATOM 0 H ARG A 75 -5.177 4.765 -10.241 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.790 3.569 -10.622 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.577 3.049 -11.468 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.384 2.269 -12.489 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.265 1.462 -10.283 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.736 1.971 -9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.044 0.310 -10.502 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.014 0.213 -11.917 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.476 -0.629 -9.637 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.220 -1.688 -11.622 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.936 -3.404 -11.313 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.109 -2.848 -9.237 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.170 -4.063 -9.958 1.00 0.00 H new ATOM 1124 N SER A 76 -3.652 5.286 -13.246 1.00 0.00 N ATOM 1125 CA SER A 76 -3.206 5.788 -14.535 1.00 0.00 C ATOM 1126 C SER A 76 -3.274 7.316 -14.552 1.00 0.00 C ATOM 1127 O SER A 76 -3.930 7.903 -15.411 1.00 0.00 O ATOM 1128 CB SER A 76 -4.047 5.207 -15.673 1.00 0.00 C ATOM 1129 OG SER A 76 -3.241 4.779 -16.768 1.00 0.00 O ATOM 0 H SER A 76 -4.478 5.751 -12.870 1.00 0.00 H new ATOM 0 HA SER A 76 -2.173 5.474 -14.686 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.629 4.364 -15.300 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.758 5.958 -16.018 1.00 0.00 H new ATOM 0 HG SER A 76 -3.815 4.413 -17.473 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.586 7.918 -13.592 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.560 9.367 -13.486 1.00 0.00 C ATOM 1137 C ALA A 77 -1.111 9.853 -13.563 1.00 0.00 C ATOM 1138 O ALA A 77 -0.181 9.049 -13.546 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.252 9.797 -12.191 1.00 0.00 C ATOM 0 H ALA A 77 -2.043 7.428 -12.881 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.105 9.823 -14.313 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.232 10.884 -12.112 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.286 9.452 -12.199 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.731 9.361 -11.338 1.00 0.00 H new ATOM 1145 N THR A 78 -0.965 11.168 -13.645 1.00 0.00 N ATOM 1146 CA THR A 78 0.355 11.770 -13.724 1.00 0.00 C ATOM 1147 C THR A 78 0.680 12.514 -12.427 1.00 0.00 C ATOM 1148 O THR A 78 -0.201 13.113 -11.813 1.00 0.00 O ATOM 1149 CB THR A 78 0.392 12.667 -14.964 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.923 13.213 -15.037 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.535 11.867 -16.260 1.00 0.00 C ATOM 0 H THR A 78 -1.739 11.833 -13.658 1.00 0.00 H new ATOM 0 HA THR A 78 1.130 11.011 -13.830 1.00 0.00 H new ATOM 0 HB THR A 78 1.220 13.371 -14.878 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.405 12.807 -15.787 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.556 12.550 -17.109 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.461 11.293 -16.233 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.310 11.187 -16.363 1.00 0.00 H new ATOM 1159 N GLU A 79 1.948 12.450 -12.048 1.00 0.00 N ATOM 1160 CA GLU A 79 2.400 13.109 -10.835 1.00 0.00 C ATOM 1161 C GLU A 79 1.755 14.491 -10.709 1.00 0.00 C ATOM 1162 O GLU A 79 1.425 14.928 -9.608 1.00 0.00 O ATOM 1163 CB GLU A 79 3.927 13.213 -10.804 1.00 0.00 C ATOM 1164 CG GLU A 79 4.488 13.460 -12.205 1.00 0.00 C ATOM 1165 CD GLU A 79 5.900 14.046 -12.135 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.652 13.607 -11.238 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.196 14.919 -12.979 1.00 0.00 O ATOM 0 H GLU A 79 2.676 11.952 -12.560 1.00 0.00 H new ATOM 0 HA GLU A 79 2.091 12.506 -9.981 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.226 14.024 -10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.349 12.295 -10.396 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.506 12.524 -12.764 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.834 14.142 -12.748 1.00 0.00 H new ATOM 1174 N GLN A 80 1.593 15.140 -11.853 1.00 0.00 N ATOM 1175 CA GLN A 80 0.993 16.463 -11.885 1.00 0.00 C ATOM 1176 C GLN A 80 -0.470 16.392 -11.441 1.00 0.00 C ATOM 1177 O GLN A 80 -0.919 17.211 -10.640 1.00 0.00 O ATOM 1178 CB GLN A 80 1.115 17.087 -13.277 1.00 0.00 C ATOM 1179 CG GLN A 80 0.361 16.256 -14.318 1.00 0.00 C ATOM 1180 CD GLN A 80 0.921 16.496 -15.721 1.00 0.00 C ATOM 1181 OE1 GLN A 80 1.692 17.411 -15.961 1.00 0.00 O ATOM 1182 NE2 GLN A 80 0.493 15.626 -16.631 1.00 0.00 N ATOM 0 H GLN A 80 1.867 14.774 -12.765 1.00 0.00 H new ATOM 0 HA GLN A 80 1.533 17.104 -11.188 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.719 18.102 -13.260 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.166 17.160 -13.556 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.437 15.198 -14.068 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.698 16.513 -14.296 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.153 14.883 -16.363 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.810 15.701 -17.597 1.00 0.00 H new ATOM 1191 N GLN A 81 -1.172 15.407 -11.981 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.574 15.220 -11.651 1.00 0.00 C ATOM 1193 C GLN A 81 -2.739 14.982 -10.149 1.00 0.00 C ATOM 1194 O GLN A 81 -3.504 15.681 -9.486 1.00 0.00 O ATOM 1195 CB GLN A 81 -3.178 14.068 -12.458 1.00 0.00 C ATOM 1196 CG GLN A 81 -4.123 14.593 -13.540 1.00 0.00 C ATOM 1197 CD GLN A 81 -3.658 14.159 -14.932 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -4.142 13.197 -15.505 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -2.693 14.920 -15.441 1.00 0.00 N ATOM 0 H GLN A 81 -0.796 14.730 -12.645 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.114 16.129 -11.916 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.381 13.485 -12.918 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.720 13.397 -11.791 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.132 14.223 -13.358 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.169 15.681 -13.491 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.333 15.711 -14.908 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.314 14.712 -16.365 1.00 0.00 H new ATOM 1208 N ALA A 82 -2.008 13.993 -9.655 1.00 0.00 N ATOM 1209 CA ALA A 82 -2.064 13.655 -8.243 1.00 0.00 C ATOM 1210 C ALA A 82 -1.849 14.921 -7.411 1.00 0.00 C ATOM 1211 O ALA A 82 -2.703 15.293 -6.608 1.00 0.00 O ATOM 1212 CB ALA A 82 -1.027 12.572 -7.936 1.00 0.00 C ATOM 0 H ALA A 82 -1.374 13.415 -10.207 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.043 13.252 -7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.069 12.318 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.241 11.684 -8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.031 12.942 -8.182 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.702 15.548 -7.631 1.00 0.00 N ATOM 1219 CA ARG A 83 -0.364 16.764 -6.911 1.00 0.00 C ATOM 1220 C ARG A 83 -1.538 17.745 -6.946 1.00 0.00 C ATOM 1221 O ARG A 83 -1.650 18.615 -6.084 1.00 0.00 O ATOM 1222 CB ARG A 83 0.871 17.436 -7.515 1.00 0.00 C ATOM 1223 CG ARG A 83 2.144 16.666 -7.156 1.00 0.00 C ATOM 1224 CD ARG A 83 3.346 17.202 -7.936 1.00 0.00 C ATOM 1225 NE ARG A 83 4.102 18.164 -7.102 1.00 0.00 N ATOM 1226 CZ ARG A 83 4.954 19.075 -7.592 1.00 0.00 C ATOM 1227 NH1 ARG A 83 5.164 19.154 -8.913 1.00 0.00 N ATOM 1228 NH2 ARG A 83 5.596 19.906 -6.760 1.00 0.00 N ATOM 0 H ARG A 83 0.005 15.237 -8.298 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.146 16.489 -5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.767 17.489 -8.599 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.947 18.461 -7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.334 16.749 -6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.007 15.607 -7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.994 16.378 -8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.009 17.688 -8.851 1.00 0.00 H new ATOM 0 HE ARG A 83 3.966 18.131 -6.092 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.675 18.521 -9.546 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.813 19.847 -9.286 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.436 19.845 -5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.245 20.600 -7.132 1.00 0.00 H new ATOM 1242 N LEU A 84 -2.384 17.571 -7.951 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.545 18.430 -8.109 1.00 0.00 C ATOM 1244 C LEU A 84 -4.736 17.809 -7.377 1.00 0.00 C ATOM 1245 O LEU A 84 -5.361 18.457 -6.539 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.809 18.706 -9.590 1.00 0.00 C ATOM 1247 CG LEU A 84 -2.900 19.744 -10.251 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -2.759 19.474 -11.751 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -3.394 21.164 -9.969 1.00 0.00 C ATOM 0 H LEU A 84 -2.288 16.848 -8.664 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.364 19.404 -7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.714 17.768 -10.137 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.842 19.035 -9.699 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.906 19.656 -9.813 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.108 20.226 -12.196 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.328 18.485 -11.904 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.741 19.519 -12.223 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.730 21.882 -10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.404 21.283 -10.362 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.401 21.340 -8.893 1.00 0.00 H new ATOM 1261 N ILE A 85 -5.016 16.560 -7.720 1.00 0.00 N ATOM 1262 CA ILE A 85 -6.121 15.845 -7.106 1.00 0.00 C ATOM 1263 C ILE A 85 -5.939 15.840 -5.587 1.00 0.00 C ATOM 1264 O ILE A 85 -6.917 15.808 -4.841 1.00 0.00 O ATOM 1265 CB ILE A 85 -6.258 14.447 -7.714 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -6.445 14.524 -9.230 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -7.384 13.663 -7.037 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -6.328 13.138 -9.868 1.00 0.00 C ATOM 0 H ILE A 85 -4.496 16.025 -8.416 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.064 16.351 -7.312 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.331 13.903 -7.531 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.421 14.952 -9.458 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.696 15.190 -9.659 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.460 12.673 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.168 13.562 -5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.327 14.194 -7.167 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.465 13.221 -10.946 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.342 12.723 -9.658 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.094 12.481 -9.455 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.681 15.872 -5.174 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.358 15.872 -3.757 1.00 0.00 C ATOM 1282 C ILE A 86 -4.291 17.315 -3.254 1.00 0.00 C ATOM 1283 O ILE A 86 -4.654 17.595 -2.112 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.081 15.070 -3.499 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.841 15.869 -3.906 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.138 13.708 -4.193 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.628 14.951 -4.072 1.00 0.00 C ATOM 0 H ILE A 86 -3.873 15.898 -5.796 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.141 15.372 -3.187 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.007 14.882 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.034 16.396 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.628 16.626 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.218 13.159 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.988 13.142 -3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.248 13.852 -5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.240 15.544 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.423 14.444 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.835 14.210 -4.844 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.824 18.192 -4.129 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.704 19.599 -3.788 1.00 0.00 C ATOM 1301 C GLY A 87 -5.049 20.315 -3.935 1.00 0.00 C ATOM 1302 O GLY A 87 -5.135 21.527 -3.743 1.00 0.00 O ATOM 0 H GLY A 87 -3.524 17.956 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.344 19.699 -2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.964 20.072 -4.434 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.064 19.535 -4.276 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.400 20.080 -4.451 1.00 0.00 C ATOM 1308 C GLN A 88 -7.926 20.634 -3.125 1.00 0.00 C ATOM 1309 O GLN A 88 -7.194 20.691 -2.138 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.351 19.026 -5.021 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.331 19.039 -6.551 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.663 18.547 -7.121 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.688 18.546 -6.459 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.591 18.130 -8.382 1.00 0.00 N ATOM 0 H GLN A 88 -5.989 18.530 -4.436 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.346 20.899 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.065 18.039 -4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.364 19.215 -4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.130 20.049 -6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.521 18.406 -6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.700 18.158 -8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.426 17.782 -8.853 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.191 21.028 -3.146 1.00 0.00 N ATOM 1324 CA GLN A 89 -9.823 21.575 -1.957 1.00 0.00 C ATOM 1325 C GLN A 89 -10.513 20.463 -1.164 1.00 0.00 C ATOM 1326 O GLN A 89 -9.850 19.649 -0.525 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.813 22.683 -2.324 1.00 0.00 C ATOM 1328 CG GLN A 89 -11.598 22.321 -3.586 1.00 0.00 C ATOM 1329 CD GLN A 89 -10.895 22.849 -4.839 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -10.610 24.028 -4.971 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -10.634 21.914 -5.748 1.00 0.00 N ATOM 0 H GLN A 89 -9.795 20.979 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.050 22.017 -1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.503 22.847 -1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.276 23.618 -2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.706 21.238 -3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.603 22.738 -3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.900 20.945 -5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.168 22.166 -6.620 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.836 20.466 -1.231 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.623 19.469 -0.526 1.00 0.00 C ATOM 1342 C CYS A 90 -12.188 19.461 0.940 1.00 0.00 C ATOM 1343 O CYS A 90 -11.178 18.851 1.288 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.490 18.086 -1.169 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.686 17.917 -2.543 1.00 0.00 S ATOM 0 H CYS A 90 -12.383 21.143 -1.763 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.680 19.726 -0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.475 17.945 -1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.668 17.311 -0.424 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.563 16.741 -3.083 1.00 0.00 H new ATOM 1351 N ASP A 91 -12.972 20.145 1.761 1.00 0.00 N ATOM 1352 CA ASP A 91 -12.680 20.224 3.182 1.00 0.00 C ATOM 1353 C ASP A 91 -12.355 18.826 3.710 1.00 0.00 C ATOM 1354 O ASP A 91 -11.400 18.650 4.465 1.00 0.00 O ATOM 1355 CB ASP A 91 -13.883 20.757 3.962 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.170 22.247 3.771 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -13.671 22.796 2.764 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -14.881 22.804 4.635 1.00 0.00 O ATOM 0 H ASP A 91 -13.809 20.649 1.469 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.835 20.900 3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -14.767 20.192 3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -13.722 20.567 5.023 1.00 0.00 H new ATOM 1363 N THR A 92 -13.168 17.866 3.293 1.00 0.00 N ATOM 1364 CA THR A 92 -12.979 16.489 3.714 1.00 0.00 C ATOM 1365 C THR A 92 -12.822 15.575 2.497 1.00 0.00 C ATOM 1366 O THR A 92 -13.782 15.340 1.765 1.00 0.00 O ATOM 1367 CB THR A 92 -14.155 16.105 4.615 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.324 17.235 5.466 1.00 0.00 O ATOM 1369 CG2 THR A 92 -13.810 14.964 5.574 1.00 0.00 C ATOM 0 H THR A 92 -13.960 18.016 2.667 1.00 0.00 H new ATOM 0 HA THR A 92 -12.059 16.374 4.288 1.00 0.00 H new ATOM 0 HB THR A 92 -15.005 15.815 3.998 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.068 17.072 6.082 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.679 14.731 6.190 1.00 0.00 H new ATOM 0 HG22 THR A 92 -13.524 14.082 5.002 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.981 15.265 6.215 1.00 0.00 H new ATOM 1377 N ILE A 93 -11.604 15.084 2.319 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.309 14.202 1.204 1.00 0.00 C ATOM 1379 C ILE A 93 -10.810 12.858 1.740 1.00 0.00 C ATOM 1380 O ILE A 93 -10.140 12.807 2.770 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.338 14.874 0.231 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -9.373 13.852 -0.375 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.598 16.030 0.907 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.275 13.476 0.622 1.00 0.00 C ATOM 0 H ILE A 93 -10.810 15.281 2.929 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.213 14.001 0.629 1.00 0.00 H new ATOM 0 HB ILE A 93 -10.916 15.297 -0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -9.923 12.958 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -8.923 14.263 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.914 16.491 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.319 16.772 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.033 15.652 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.603 12.749 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -7.712 14.368 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.727 13.043 1.515 1.00 0.00 H new ATOM 1396 N THR A 94 -11.157 11.803 1.018 1.00 0.00 N ATOM 1397 CA THR A 94 -10.754 10.463 1.408 1.00 0.00 C ATOM 1398 C THR A 94 -9.741 9.899 0.410 1.00 0.00 C ATOM 1399 O THR A 94 -9.665 10.358 -0.729 1.00 0.00 O ATOM 1400 CB THR A 94 -12.016 9.609 1.541 1.00 0.00 C ATOM 1401 OG1 THR A 94 -12.997 10.514 2.038 1.00 0.00 O ATOM 1402 CG2 THR A 94 -11.894 8.551 2.639 1.00 0.00 C ATOM 0 H THR A 94 -11.713 11.849 0.164 1.00 0.00 H new ATOM 0 HA THR A 94 -10.245 10.468 2.372 1.00 0.00 H new ATOM 0 HB THR A 94 -12.226 9.121 0.589 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.849 10.043 2.152 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.817 7.973 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.061 7.886 2.412 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.717 9.040 3.597 1.00 0.00 H new ATOM 1410 N ILE A 95 -8.987 8.913 0.873 1.00 0.00 N ATOM 1411 CA ILE A 95 -7.982 8.282 0.035 1.00 0.00 C ATOM 1412 C ILE A 95 -8.086 6.762 0.179 1.00 0.00 C ATOM 1413 O ILE A 95 -8.327 6.253 1.272 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.593 8.836 0.355 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.361 10.176 -0.347 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.504 7.816 0.017 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.012 10.778 0.050 1.00 0.00 C ATOM 0 H ILE A 95 -9.052 8.535 1.818 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.159 8.516 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.539 9.021 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.396 10.035 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.162 10.869 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.526 8.236 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.661 6.909 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.548 7.576 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.873 11.730 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.989 10.940 1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.211 10.094 -0.231 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.898 6.080 -0.942 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.968 4.628 -0.954 1.00 0.00 C ATOM 1431 C LEU A 96 -6.582 4.058 -1.264 1.00 0.00 C ATOM 1432 O LEU A 96 -6.281 3.739 -2.413 1.00 0.00 O ATOM 1433 CB LEU A 96 -9.057 4.152 -1.917 1.00 0.00 C ATOM 1434 CG LEU A 96 -9.039 2.663 -2.267 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.231 1.803 -1.016 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -10.073 2.342 -3.348 1.00 0.00 C ATOM 0 H LEU A 96 -7.698 6.505 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.256 4.252 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.028 4.391 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.972 4.723 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.059 2.420 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.214 0.749 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.427 2.005 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.189 2.041 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.040 1.277 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.068 2.605 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.849 2.915 -4.248 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.775 3.948 -0.219 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.429 3.423 -0.365 1.00 0.00 C ATOM 1450 C ALA A 97 -4.449 1.909 -0.141 1.00 0.00 C ATOM 1451 O ALA A 97 -5.483 1.345 0.214 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.491 4.143 0.606 1.00 0.00 C ATOM 0 H ALA A 97 -6.028 4.214 0.733 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.055 3.603 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.481 3.749 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.490 5.211 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.833 3.983 1.628 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.295 1.295 -0.357 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.168 -0.142 -0.183 1.00 0.00 C ATOM 1460 C GLN A 98 -1.692 -0.542 -0.134 1.00 0.00 C ATOM 1461 O GLN A 98 -1.121 -0.945 -1.146 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.904 -0.896 -1.293 1.00 0.00 C ATOM 1463 CG GLN A 98 -4.050 -2.378 -0.944 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.511 -3.184 -2.161 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -4.557 -2.698 -3.279 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -4.847 -4.440 -1.881 1.00 0.00 N ATOM 0 H GLN A 98 -2.440 1.766 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.630 -0.416 0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.889 -0.456 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.360 -0.791 -2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.097 -2.767 -0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.768 -2.495 -0.132 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.785 -4.783 -0.922 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.167 -5.060 -2.625 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.117 -0.417 1.053 1.00 0.00 N ATOM 1476 CA TYR A 99 0.281 -0.760 1.248 1.00 0.00 C ATOM 1477 C TYR A 99 0.670 -1.974 0.402 1.00 0.00 C ATOM 1478 O TYR A 99 -0.031 -2.985 0.401 1.00 0.00 O ATOM 1479 CB TYR A 99 0.425 -1.118 2.728 1.00 0.00 C ATOM 1480 CG TYR A 99 1.853 -1.475 3.146 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.413 -2.670 2.741 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.582 -0.601 3.927 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.757 -3.005 3.134 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.926 -0.937 4.320 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.447 -2.122 3.904 1.00 0.00 C ATOM 1486 OH TYR A 99 5.717 -2.439 4.275 1.00 0.00 O ATOM 0 H TYR A 99 -1.595 -0.083 1.890 1.00 0.00 H new ATOM 0 HA TYR A 99 0.924 0.069 0.954 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.081 -0.277 3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.230 -1.960 2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.843 -3.354 2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.145 0.334 4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.207 -3.937 2.824 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.507 -0.263 4.932 1.00 0.00 H new ATOM 0 HH TYR A 99 6.088 -1.715 4.822 1.00 0.00 H new ATOM 1496 N ASN A 100 1.786 -1.834 -0.298 1.00 0.00 N ATOM 1497 CA ASN A 100 2.277 -2.907 -1.147 1.00 0.00 C ATOM 1498 C ASN A 100 3.720 -3.237 -0.760 1.00 0.00 C ATOM 1499 O ASN A 100 4.621 -2.423 -0.956 1.00 0.00 O ATOM 1500 CB ASN A 100 2.265 -2.493 -2.620 1.00 0.00 C ATOM 1501 CG ASN A 100 3.010 -3.515 -3.482 1.00 0.00 C ATOM 1502 OD1 ASN A 100 2.953 -4.713 -3.259 1.00 0.00 O ATOM 1503 ND2 ASN A 100 3.709 -2.975 -4.477 1.00 0.00 N ATOM 0 H ASN A 100 2.365 -0.994 -0.295 1.00 0.00 H new ATOM 0 HA ASN A 100 1.626 -3.771 -1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.236 -2.400 -2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.728 -1.512 -2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.241 -3.573 -5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.713 -1.963 -4.607 1.00 0.00 H new ATOM 1510 N PRO A 101 3.899 -4.465 -0.203 1.00 0.00 N ATOM 1511 CA PRO A 101 5.217 -4.913 0.212 1.00 0.00 C ATOM 1512 C PRO A 101 6.072 -5.299 -0.997 1.00 0.00 C ATOM 1513 O PRO A 101 6.595 -6.410 -1.063 1.00 0.00 O ATOM 1514 CB PRO A 101 4.958 -6.079 1.152 1.00 0.00 C ATOM 1515 CG PRO A 101 3.537 -6.537 0.867 1.00 0.00 C ATOM 1516 CD PRO A 101 2.856 -5.456 0.044 1.00 0.00 C ATOM 0 HA PRO A 101 5.787 -4.132 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.670 -6.886 0.979 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.069 -5.774 2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.542 -7.483 0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.996 -6.706 1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.463 -5.858 -0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.015 -5.020 0.582 1.00 0.00 H new