USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 GLN : amide:sc= -0.505! C(o=-2.8!,f=-3.1!) USER MOD Set 1.2: A 89 GLN : amide:sc= -2.32! K(o=-2.8!,f=-2.3) USER MOD Set 2.1: A 78 THR OG1 : rot 173:sc= 0.146 USER MOD Set 2.2: A 80 GLN : amide:sc= -0.0941 K(o=0.83,f=-0.7!) USER MOD Set 2.3: A 81 GLN : amide:sc= 0.774 K(o=0.83,f=-0.59) USER MOD Set 3.1: A 35 SER OG : rot 167:sc= 0.999 USER MOD Set 3.2: A 47 SER OG : rot -134:sc= -0.582 USER MOD Single : A 22 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-4.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc=-0.00875 X(o=-0.0087,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 1.04 (180deg=0.498) USER MOD Single : A 29 SER OG : rot -18:sc= 0.77 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 108:sc= 1.07 USER MOD Single : A 56 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-1.2) USER MOD Single : A 57 GLN : amide:sc= -0.01 X(o=-0.01,f=-0.047) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0311 X(o=-0.031,f=-0.0058) USER MOD Single : A 70 ASN : amide:sc= -3.09 K(o=-3.1,f=-6.9!) USER MOD Single : A 73 ASN : amide:sc= -0.435 K(o=-0.43,f=-1.6) USER MOD Single : A 76 SER OG : rot 59:sc= 0.214 USER MOD Single : A 90 CYS SG : rot 72:sc= -0.885 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0019 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.2) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -4.34! C(o=-4.3!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -1.280 -8.796 -1.767 1.00 0.00 N ATOM 230 CA VAL A 17 -0.752 -7.615 -1.105 1.00 0.00 C ATOM 231 C VAL A 17 -1.771 -7.111 -0.081 1.00 0.00 C ATOM 232 O VAL A 17 -2.910 -7.575 -0.054 1.00 0.00 O ATOM 233 CB VAL A 17 -0.375 -6.557 -2.144 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.526 -5.573 -2.367 1.00 0.00 C ATOM 235 CG2 VAL A 17 0.904 -5.822 -1.738 1.00 0.00 C ATOM 0 HA VAL A 17 0.161 -7.858 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.183 -7.067 -3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.232 -4.832 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.403 -6.114 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.763 -5.072 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.150 -5.076 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.751 -5.330 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.723 -6.536 -1.654 1.00 0.00 H new ATOM 245 N GLU A 18 -1.325 -6.169 0.736 1.00 0.00 N ATOM 246 CA GLU A 18 -2.183 -5.598 1.760 1.00 0.00 C ATOM 247 C GLU A 18 -3.417 -4.957 1.120 1.00 0.00 C ATOM 248 O GLU A 18 -3.318 -3.909 0.484 1.00 0.00 O ATOM 249 CB GLU A 18 -1.419 -4.583 2.613 1.00 0.00 C ATOM 250 CG GLU A 18 -0.041 -5.122 3.003 1.00 0.00 C ATOM 251 CD GLU A 18 0.138 -5.121 4.522 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.183 -4.078 5.131 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.591 -6.164 5.040 1.00 0.00 O ATOM 0 H GLU A 18 -0.380 -5.786 0.710 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.514 -6.401 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.306 -3.650 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.992 -4.354 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.079 -6.135 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.736 -4.513 2.541 1.00 0.00 H new ATOM 260 N GLU A 19 -4.552 -5.614 1.311 1.00 0.00 N ATOM 261 CA GLU A 19 -5.803 -5.122 0.761 1.00 0.00 C ATOM 262 C GLU A 19 -5.849 -3.595 0.829 1.00 0.00 C ATOM 263 O GLU A 19 -5.189 -2.987 1.671 1.00 0.00 O ATOM 264 CB GLU A 19 -7.001 -5.740 1.486 1.00 0.00 C ATOM 265 CG GLU A 19 -7.005 -7.263 1.339 1.00 0.00 C ATOM 266 CD GLU A 19 -8.428 -7.791 1.144 1.00 0.00 C ATOM 267 OE1 GLU A 19 -9.253 -7.546 2.050 1.00 0.00 O ATOM 268 OE2 GLU A 19 -8.657 -8.428 0.093 1.00 0.00 O ATOM 0 H GLU A 19 -4.631 -6.483 1.839 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.860 -5.421 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.969 -5.473 2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.926 -5.330 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.387 -7.552 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.562 -7.719 2.225 1.00 0.00 H new ATOM 275 N PRO A 20 -6.656 -3.002 -0.091 1.00 0.00 N ATOM 276 CA PRO A 20 -6.797 -1.557 -0.143 1.00 0.00 C ATOM 277 C PRO A 20 -7.674 -1.050 1.004 1.00 0.00 C ATOM 278 O PRO A 20 -8.581 -1.749 1.452 1.00 0.00 O ATOM 279 CB PRO A 20 -7.386 -1.268 -1.514 1.00 0.00 C ATOM 280 CG PRO A 20 -7.984 -2.580 -1.996 1.00 0.00 C ATOM 281 CD PRO A 20 -7.453 -3.690 -1.103 1.00 0.00 C ATOM 0 HA PRO A 20 -5.848 -1.037 -0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.147 -0.490 -1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.619 -0.913 -2.202 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.072 -2.542 -1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.713 -2.764 -3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.266 -4.256 -0.649 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.848 -4.399 -1.669 1.00 0.00 H new ATOM 289 N ARG A 21 -7.373 0.163 1.445 1.00 0.00 N ATOM 290 CA ARG A 21 -8.122 0.772 2.530 1.00 0.00 C ATOM 291 C ARG A 21 -8.604 2.167 2.126 1.00 0.00 C ATOM 292 O ARG A 21 -8.114 2.738 1.153 1.00 0.00 O ATOM 293 CB ARG A 21 -7.269 0.882 3.795 1.00 0.00 C ATOM 294 CG ARG A 21 -6.164 1.926 3.622 1.00 0.00 C ATOM 295 CD ARG A 21 -4.780 1.287 3.750 1.00 0.00 C ATOM 296 NE ARG A 21 -4.477 1.018 5.174 1.00 0.00 N ATOM 297 CZ ARG A 21 -4.083 1.955 6.048 1.00 0.00 C ATOM 298 NH1 ARG A 21 -3.944 3.226 5.650 1.00 0.00 N ATOM 299 NH2 ARG A 21 -3.830 1.619 7.320 1.00 0.00 N ATOM 0 H ARG A 21 -6.620 0.740 1.070 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.980 0.133 2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.900 1.152 4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.826 -0.087 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.259 2.403 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.278 2.709 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.745 0.358 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.024 1.949 3.327 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.574 0.060 5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.138 3.481 4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.644 3.939 6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.937 0.651 7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.530 2.331 7.986 1.00 0.00 H new ATOM 313 N HIS A 22 -9.558 2.674 2.892 1.00 0.00 N ATOM 314 CA HIS A 22 -10.112 3.991 2.626 1.00 0.00 C ATOM 315 C HIS A 22 -9.777 4.932 3.785 1.00 0.00 C ATOM 316 O HIS A 22 -10.440 4.907 4.821 1.00 0.00 O ATOM 317 CB HIS A 22 -11.613 3.903 2.348 1.00 0.00 C ATOM 318 CG HIS A 22 -11.972 3.006 1.186 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.421 1.749 1.013 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.830 3.199 0.144 1.00 0.00 C ATOM 321 CE1 HIS A 22 -11.932 1.217 -0.088 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.804 2.118 -0.626 1.00 0.00 N ATOM 0 H HIS A 22 -9.962 2.196 3.698 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.659 4.405 1.725 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.117 3.539 3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.995 4.905 2.152 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.429 4.081 -0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.699 0.242 -0.489 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.346 1.983 -1.479 1.00 0.00 H new ATOM 330 N VAL A 23 -8.749 5.740 3.571 1.00 0.00 N ATOM 331 CA VAL A 23 -8.319 6.687 4.585 1.00 0.00 C ATOM 332 C VAL A 23 -9.041 8.019 4.371 1.00 0.00 C ATOM 333 O VAL A 23 -8.964 8.605 3.292 1.00 0.00 O ATOM 334 CB VAL A 23 -6.795 6.823 4.562 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.333 7.972 5.459 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.121 5.509 4.963 1.00 0.00 C ATOM 0 H VAL A 23 -8.202 5.758 2.711 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.585 6.329 5.579 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.495 7.055 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.246 8.046 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.772 8.906 5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.651 7.784 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.038 5.633 4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.432 5.233 5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.412 4.723 4.266 1.00 0.00 H new ATOM 346 N LYS A 24 -9.725 8.459 5.417 1.00 0.00 N ATOM 347 CA LYS A 24 -10.460 9.711 5.357 1.00 0.00 C ATOM 348 C LYS A 24 -9.525 10.865 5.724 1.00 0.00 C ATOM 349 O LYS A 24 -8.556 10.674 6.458 1.00 0.00 O ATOM 350 CB LYS A 24 -11.716 9.637 6.228 1.00 0.00 C ATOM 351 CG LYS A 24 -12.969 9.454 5.369 1.00 0.00 C ATOM 352 CD LYS A 24 -14.235 9.741 6.178 1.00 0.00 C ATOM 353 CE LYS A 24 -15.464 9.807 5.269 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.486 8.831 5.707 1.00 0.00 N ATOM 0 H LYS A 24 -9.786 7.971 6.311 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.813 9.897 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.628 8.808 6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.806 10.548 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.924 10.121 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.003 8.436 4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.375 8.963 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.123 10.684 6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.883 10.813 5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.173 9.600 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.313 8.889 5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.088 7.871 5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.776 9.046 6.682 1.00 0.00 H new ATOM 368 N VAL A 25 -9.847 12.037 5.197 1.00 0.00 N ATOM 369 CA VAL A 25 -9.047 13.221 5.460 1.00 0.00 C ATOM 370 C VAL A 25 -9.972 14.387 5.815 1.00 0.00 C ATOM 371 O VAL A 25 -10.953 14.641 5.116 1.00 0.00 O ATOM 372 CB VAL A 25 -8.143 13.519 4.262 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.072 14.549 4.626 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.509 12.235 3.722 1.00 0.00 C ATOM 0 H VAL A 25 -10.651 12.192 4.589 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.389 13.056 6.313 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.762 13.945 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.443 14.743 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.551 15.476 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.458 14.163 5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.871 12.474 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.910 11.768 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.293 11.547 3.406 1.00 0.00 H new ATOM 384 N GLN A 26 -9.628 15.065 6.900 1.00 0.00 N ATOM 385 CA GLN A 26 -10.415 16.198 7.356 1.00 0.00 C ATOM 386 C GLN A 26 -9.657 17.504 7.110 1.00 0.00 C ATOM 387 O GLN A 26 -9.178 18.135 8.052 1.00 0.00 O ATOM 388 CB GLN A 26 -10.786 16.049 8.832 1.00 0.00 C ATOM 389 CG GLN A 26 -12.284 15.786 8.997 1.00 0.00 C ATOM 390 CD GLN A 26 -12.815 16.428 10.281 1.00 0.00 C ATOM 391 OE1 GLN A 26 -12.665 17.614 10.521 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.442 15.579 11.090 1.00 0.00 N ATOM 0 H GLN A 26 -8.814 14.851 7.477 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.342 16.226 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.219 15.229 9.272 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.510 16.954 9.373 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.824 16.183 8.137 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.468 14.712 9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.533 14.597 10.828 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.832 15.909 11.973 1.00 0.00 H new ATOM 401 N LYS A 27 -9.571 17.872 5.840 1.00 0.00 N ATOM 402 CA LYS A 27 -8.880 19.091 5.459 1.00 0.00 C ATOM 403 C LYS A 27 -9.489 20.275 6.214 1.00 0.00 C ATOM 404 O LYS A 27 -8.866 20.822 7.123 1.00 0.00 O ATOM 405 CB LYS A 27 -8.891 19.260 3.938 1.00 0.00 C ATOM 406 CG LYS A 27 -8.223 18.069 3.249 1.00 0.00 C ATOM 407 CD LYS A 27 -6.942 18.498 2.531 1.00 0.00 C ATOM 408 CE LYS A 27 -6.729 17.682 1.254 1.00 0.00 C ATOM 409 NZ LYS A 27 -5.918 18.446 0.280 1.00 0.00 N ATOM 0 H LYS A 27 -9.969 17.347 5.062 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.829 19.038 5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.918 19.358 3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.372 20.179 3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.991 17.301 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.914 17.624 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.997 19.558 2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.088 18.369 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.230 16.743 1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.693 17.427 0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.392 17.786 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.543 19.034 -0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.247 19.056 0.790 1.00 0.00 H new ATOM 423 N GLY A 28 -10.698 20.635 5.809 1.00 0.00 N ATOM 424 CA GLY A 28 -11.397 21.743 6.436 1.00 0.00 C ATOM 425 C GLY A 28 -10.971 23.078 5.821 1.00 0.00 C ATOM 426 O GLY A 28 -11.802 23.816 5.292 1.00 0.00 O ATOM 0 H GLY A 28 -11.211 20.179 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.473 21.612 6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.191 21.749 7.506 1.00 0.00 H new ATOM 430 N SER A 29 -9.677 23.349 5.912 1.00 0.00 N ATOM 431 CA SER A 29 -9.131 24.582 5.372 1.00 0.00 C ATOM 432 C SER A 29 -7.606 24.489 5.294 1.00 0.00 C ATOM 433 O SER A 29 -6.909 25.483 5.490 1.00 0.00 O ATOM 434 CB SER A 29 -9.547 25.786 6.219 1.00 0.00 C ATOM 435 OG SER A 29 -10.963 25.911 6.310 1.00 0.00 O ATOM 0 H SER A 29 -8.991 22.735 6.352 1.00 0.00 H new ATOM 0 HA SER A 29 -9.532 24.723 4.368 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.127 25.688 7.220 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.130 26.695 5.786 1.00 0.00 H new ATOM 0 HG SER A 29 -11.384 25.392 5.593 1.00 0.00 H new ATOM 441 N GLU A 30 -7.132 23.285 5.009 1.00 0.00 N ATOM 442 CA GLU A 30 -5.702 23.049 4.904 1.00 0.00 C ATOM 443 C GLU A 30 -5.418 21.969 3.857 1.00 0.00 C ATOM 444 O GLU A 30 -6.263 21.113 3.599 1.00 0.00 O ATOM 445 CB GLU A 30 -5.108 22.667 6.261 1.00 0.00 C ATOM 446 CG GLU A 30 -4.890 23.906 7.132 1.00 0.00 C ATOM 447 CD GLU A 30 -5.772 23.861 8.381 1.00 0.00 C ATOM 448 OE1 GLU A 30 -7.009 23.908 8.204 1.00 0.00 O ATOM 449 OE2 GLU A 30 -5.191 23.779 9.484 1.00 0.00 O ATOM 0 H GLU A 30 -7.713 22.462 4.848 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.223 23.974 4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.775 21.972 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.160 22.150 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.842 23.969 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.115 24.804 6.556 1.00 0.00 H new ATOM 456 N PRO A 31 -4.194 22.046 3.269 1.00 0.00 N ATOM 457 CA PRO A 31 -3.789 21.086 2.257 1.00 0.00 C ATOM 458 C PRO A 31 -3.437 19.738 2.890 1.00 0.00 C ATOM 459 O PRO A 31 -3.450 19.600 4.112 1.00 0.00 O ATOM 460 CB PRO A 31 -2.610 21.735 1.549 1.00 0.00 C ATOM 461 CG PRO A 31 -2.107 22.820 2.487 1.00 0.00 C ATOM 462 CD PRO A 31 -3.169 23.046 3.551 1.00 0.00 C ATOM 0 HA PRO A 31 -4.586 20.859 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.828 21.004 1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.914 22.157 0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.165 22.521 2.946 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.916 23.741 1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.759 22.921 4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.575 24.056 3.497 1.00 0.00 H new ATOM 470 N LEU A 32 -3.132 18.778 2.029 1.00 0.00 N ATOM 471 CA LEU A 32 -2.778 17.446 2.489 1.00 0.00 C ATOM 472 C LEU A 32 -1.340 17.457 3.011 1.00 0.00 C ATOM 473 O LEU A 32 -1.084 17.048 4.143 1.00 0.00 O ATOM 474 CB LEU A 32 -3.023 16.415 1.384 1.00 0.00 C ATOM 475 CG LEU A 32 -3.271 14.979 1.850 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.470 14.909 2.797 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.427 14.035 0.657 1.00 0.00 C ATOM 0 H LEU A 32 -3.123 18.896 1.016 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.417 17.147 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.882 16.739 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.161 16.416 0.716 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.398 14.647 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.624 13.877 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.280 15.532 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.361 15.268 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.602 13.021 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.272 14.355 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.518 14.055 0.056 1.00 0.00 H new ATOM 489 N GLY A 33 -0.439 17.928 2.162 1.00 0.00 N ATOM 490 CA GLY A 33 0.966 17.998 2.524 1.00 0.00 C ATOM 491 C GLY A 33 1.618 16.615 2.460 1.00 0.00 C ATOM 492 O GLY A 33 2.133 16.120 3.461 1.00 0.00 O ATOM 0 H GLY A 33 -0.655 18.265 1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.485 18.680 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.066 18.405 3.530 1.00 0.00 H new ATOM 496 N ILE A 34 1.575 16.031 1.272 1.00 0.00 N ATOM 497 CA ILE A 34 2.155 14.715 1.063 1.00 0.00 C ATOM 498 C ILE A 34 2.839 14.675 -0.305 1.00 0.00 C ATOM 499 O ILE A 34 2.317 15.212 -1.280 1.00 0.00 O ATOM 500 CB ILE A 34 1.097 13.627 1.253 1.00 0.00 C ATOM 501 CG1 ILE A 34 -0.158 13.933 0.434 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.778 13.425 2.736 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.664 12.680 -0.284 1.00 0.00 C ATOM 0 H ILE A 34 1.147 16.445 0.444 1.00 0.00 H new ATOM 0 HA ILE A 34 2.923 14.515 1.810 1.00 0.00 H new ATOM 0 HB ILE A 34 1.504 12.687 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.938 14.321 1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.061 14.712 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.023 12.646 2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.683 13.128 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.400 14.357 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.557 12.926 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.109 12.308 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.905 11.912 0.451 1.00 0.00 H new ATOM 515 N SER A 35 3.998 14.033 -0.333 1.00 0.00 N ATOM 516 CA SER A 35 4.759 13.916 -1.565 1.00 0.00 C ATOM 517 C SER A 35 4.408 12.606 -2.274 1.00 0.00 C ATOM 518 O SER A 35 4.182 11.586 -1.625 1.00 0.00 O ATOM 519 CB SER A 35 6.263 13.985 -1.292 1.00 0.00 C ATOM 520 OG SER A 35 7.008 14.269 -2.473 1.00 0.00 O ATOM 0 H SER A 35 4.428 13.589 0.478 1.00 0.00 H new ATOM 0 HA SER A 35 4.496 14.754 -2.211 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.461 14.754 -0.545 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.599 13.037 -0.871 1.00 0.00 H new ATOM 0 HG SER A 35 7.926 14.510 -2.230 1.00 0.00 H new ATOM 526 N ILE A 36 4.373 12.678 -3.597 1.00 0.00 N ATOM 527 CA ILE A 36 4.054 11.511 -4.401 1.00 0.00 C ATOM 528 C ILE A 36 5.017 11.435 -5.588 1.00 0.00 C ATOM 529 O ILE A 36 5.445 12.463 -6.110 1.00 0.00 O ATOM 530 CB ILE A 36 2.578 11.527 -4.806 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.246 12.783 -5.614 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.672 11.376 -3.583 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.458 12.544 -7.111 1.00 0.00 C ATOM 0 H ILE A 36 4.560 13.526 -4.132 1.00 0.00 H new ATOM 0 HA ILE A 36 4.192 10.599 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 36 2.391 10.669 -5.452 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.212 13.074 -5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.873 13.610 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.629 11.391 -3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.887 10.430 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.853 12.199 -2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.215 13.452 -7.662 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.499 12.277 -7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.811 11.733 -7.445 1.00 0.00 H new ATOM 545 N VAL A 37 5.328 10.208 -5.979 1.00 0.00 N ATOM 546 CA VAL A 37 6.232 9.985 -7.094 1.00 0.00 C ATOM 547 C VAL A 37 5.542 9.103 -8.136 1.00 0.00 C ATOM 548 O VAL A 37 4.712 8.264 -7.792 1.00 0.00 O ATOM 549 CB VAL A 37 7.550 9.394 -6.589 1.00 0.00 C ATOM 550 CG1 VAL A 37 8.040 10.133 -5.342 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.411 7.895 -6.319 1.00 0.00 C ATOM 0 H VAL A 37 4.970 9.358 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 37 6.479 10.929 -7.580 1.00 0.00 H new ATOM 0 HB VAL A 37 8.298 9.525 -7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.978 9.693 -5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.198 11.185 -5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.294 10.048 -4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.362 7.500 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.643 7.731 -5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.129 7.384 -7.240 1.00 0.00 H new ATOM 561 N SER A 38 5.911 9.324 -9.389 1.00 0.00 N ATOM 562 CA SER A 38 5.338 8.559 -10.484 1.00 0.00 C ATOM 563 C SER A 38 6.312 7.466 -10.926 1.00 0.00 C ATOM 564 O SER A 38 7.527 7.651 -10.865 1.00 0.00 O ATOM 565 CB SER A 38 4.987 9.466 -11.665 1.00 0.00 C ATOM 566 OG SER A 38 4.394 8.740 -12.738 1.00 0.00 O ATOM 0 H SER A 38 6.600 10.022 -9.671 1.00 0.00 H new ATOM 0 HA SER A 38 4.417 8.095 -10.131 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.302 10.245 -11.332 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.889 9.965 -12.020 1.00 0.00 H new ATOM 0 HG SER A 38 4.183 9.355 -13.472 1.00 0.00 H new ATOM 572 N GLY A 39 5.744 6.351 -11.361 1.00 0.00 N ATOM 573 CA GLY A 39 6.548 5.228 -11.813 1.00 0.00 C ATOM 574 C GLY A 39 6.608 5.177 -13.341 1.00 0.00 C ATOM 575 O GLY A 39 7.330 4.360 -13.911 1.00 0.00 O ATOM 0 H GLY A 39 4.736 6.201 -11.410 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.557 5.312 -11.408 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.128 4.298 -11.431 1.00 0.00 H new ATOM 623 N GLY A 43 1.577 3.244 -10.961 1.00 0.00 N ATOM 624 CA GLY A 43 0.680 4.260 -10.438 1.00 0.00 C ATOM 625 C GLY A 43 1.455 5.333 -9.671 1.00 0.00 C ATOM 626 O GLY A 43 2.595 5.645 -10.013 1.00 0.00 O ATOM 0 HA2 GLY A 43 0.129 4.721 -11.258 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.055 3.797 -9.780 1.00 0.00 H new ATOM 630 N ILE A 44 0.806 5.870 -8.648 1.00 0.00 N ATOM 631 CA ILE A 44 1.420 6.902 -7.830 1.00 0.00 C ATOM 632 C ILE A 44 1.799 6.310 -6.471 1.00 0.00 C ATOM 633 O ILE A 44 1.071 5.483 -5.925 1.00 0.00 O ATOM 634 CB ILE A 44 0.505 8.125 -7.734 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.245 8.724 -9.118 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.073 9.158 -6.759 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.489 9.439 -9.648 1.00 0.00 C ATOM 0 H ILE A 44 -0.139 5.610 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 44 2.341 7.257 -8.292 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.458 7.803 -7.337 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.048 7.935 -9.811 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.587 9.426 -9.064 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.404 10.017 -6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.165 8.712 -5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.055 9.482 -7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.277 9.856 -10.633 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.765 10.243 -8.966 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.312 8.729 -9.724 1.00 0.00 H new ATOM 649 N TYR A 45 2.939 6.757 -5.964 1.00 0.00 N ATOM 650 CA TYR A 45 3.423 6.282 -4.679 1.00 0.00 C ATOM 651 C TYR A 45 3.872 7.449 -3.797 1.00 0.00 C ATOM 652 O TYR A 45 4.521 8.379 -4.273 1.00 0.00 O ATOM 653 CB TYR A 45 4.633 5.397 -4.986 1.00 0.00 C ATOM 654 CG TYR A 45 4.359 4.306 -6.024 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.364 4.617 -7.368 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.106 3.013 -5.615 1.00 0.00 C ATOM 657 CE1 TYR A 45 4.106 3.591 -8.345 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.847 1.987 -6.592 1.00 0.00 C ATOM 659 CZ TYR A 45 3.860 2.326 -7.909 1.00 0.00 C ATOM 660 OH TYR A 45 3.617 1.357 -8.831 1.00 0.00 O ATOM 0 H TYR A 45 3.541 7.443 -6.420 1.00 0.00 H new ATOM 0 HA TYR A 45 2.637 5.747 -4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.449 6.026 -5.342 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.971 4.928 -4.062 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.561 5.630 -7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.102 2.770 -4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.108 3.821 -9.400 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.647 0.971 -6.286 1.00 0.00 H new ATOM 0 HH TYR A 45 3.459 0.504 -8.375 1.00 0.00 H new ATOM 670 N VAL A 46 3.507 7.362 -2.526 1.00 0.00 N ATOM 671 CA VAL A 46 3.863 8.399 -1.573 1.00 0.00 C ATOM 672 C VAL A 46 5.384 8.436 -1.410 1.00 0.00 C ATOM 673 O VAL A 46 6.019 7.396 -1.244 1.00 0.00 O ATOM 674 CB VAL A 46 3.126 8.171 -0.251 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.615 9.144 0.824 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.612 8.280 -0.443 1.00 0.00 C ATOM 0 H VAL A 46 2.968 6.589 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 46 3.551 9.377 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 46 3.349 7.159 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.075 8.961 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.682 8.997 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.436 10.168 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.111 8.114 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.363 9.274 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.281 7.530 -1.162 1.00 0.00 H new ATOM 686 N SER A 47 5.924 9.644 -1.464 1.00 0.00 N ATOM 687 CA SER A 47 7.359 9.830 -1.324 1.00 0.00 C ATOM 688 C SER A 47 7.678 10.427 0.048 1.00 0.00 C ATOM 689 O SER A 47 8.805 10.318 0.529 1.00 0.00 O ATOM 690 CB SER A 47 7.908 10.728 -2.435 1.00 0.00 C ATOM 691 OG SER A 47 8.216 12.036 -1.961 1.00 0.00 O ATOM 0 H SER A 47 5.394 10.504 -1.603 1.00 0.00 H new ATOM 0 HA SER A 47 7.841 8.856 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.805 10.275 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.176 10.797 -3.240 1.00 0.00 H new ATOM 0 HG SER A 47 7.863 12.702 -2.587 1.00 0.00 H new ATOM 697 N LYS A 48 6.666 11.044 0.639 1.00 0.00 N ATOM 698 CA LYS A 48 6.825 11.659 1.946 1.00 0.00 C ATOM 699 C LYS A 48 5.483 12.233 2.402 1.00 0.00 C ATOM 700 O LYS A 48 4.536 12.304 1.619 1.00 0.00 O ATOM 701 CB LYS A 48 7.958 12.687 1.921 1.00 0.00 C ATOM 702 CG LYS A 48 8.645 12.780 3.284 1.00 0.00 C ATOM 703 CD LYS A 48 10.103 12.325 3.196 1.00 0.00 C ATOM 704 CE LYS A 48 10.405 11.249 4.241 1.00 0.00 C ATOM 705 NZ LYS A 48 11.862 11.158 4.484 1.00 0.00 N ATOM 0 H LYS A 48 5.733 11.131 0.237 1.00 0.00 H new ATOM 0 HA LYS A 48 7.120 10.913 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.688 12.410 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.562 13.663 1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.602 13.807 3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.111 12.163 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.307 11.936 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.764 13.179 3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.889 11.483 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.026 10.286 3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.050 10.423 5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.347 10.913 3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.214 12.073 4.830 1.00 0.00 H new ATOM 719 N VAL A 49 5.443 12.629 3.666 1.00 0.00 N ATOM 720 CA VAL A 49 4.231 13.196 4.234 1.00 0.00 C ATOM 721 C VAL A 49 4.608 14.248 5.279 1.00 0.00 C ATOM 722 O VAL A 49 5.271 13.938 6.267 1.00 0.00 O ATOM 723 CB VAL A 49 3.348 12.081 4.800 1.00 0.00 C ATOM 724 CG1 VAL A 49 4.178 11.080 5.606 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.212 12.659 5.646 1.00 0.00 C ATOM 0 H VAL A 49 6.230 12.569 4.312 1.00 0.00 H new ATOM 0 HA VAL A 49 3.645 13.697 3.464 1.00 0.00 H new ATOM 0 HB VAL A 49 2.903 11.547 3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.526 10.298 5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.935 10.633 4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.665 11.595 6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.599 11.846 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.630 13.229 6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.596 13.314 5.030 1.00 0.00 H new ATOM 735 N THR A 50 4.167 15.472 5.025 1.00 0.00 N ATOM 736 CA THR A 50 4.449 16.572 5.930 1.00 0.00 C ATOM 737 C THR A 50 3.934 16.252 7.335 1.00 0.00 C ATOM 738 O THR A 50 2.815 15.767 7.494 1.00 0.00 O ATOM 739 CB THR A 50 3.841 17.843 5.335 1.00 0.00 C ATOM 740 OG1 THR A 50 4.612 18.080 4.160 1.00 0.00 O ATOM 741 CG2 THR A 50 4.095 19.077 6.203 1.00 0.00 C ATOM 0 H THR A 50 3.616 15.725 4.205 1.00 0.00 H new ATOM 0 HA THR A 50 5.522 16.729 6.039 1.00 0.00 H new ATOM 0 HB THR A 50 2.767 17.705 5.207 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.284 18.886 3.710 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.642 19.951 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.655 18.925 7.189 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.169 19.235 6.305 1.00 0.00 H new ATOM 749 N VAL A 51 4.775 16.537 8.318 1.00 0.00 N ATOM 750 CA VAL A 51 4.418 16.286 9.704 1.00 0.00 C ATOM 751 C VAL A 51 3.589 17.458 10.234 1.00 0.00 C ATOM 752 O VAL A 51 3.984 18.614 10.098 1.00 0.00 O ATOM 753 CB VAL A 51 5.680 16.026 10.530 1.00 0.00 C ATOM 754 CG1 VAL A 51 5.370 16.053 12.028 1.00 0.00 C ATOM 755 CG2 VAL A 51 6.334 14.702 10.130 1.00 0.00 C ATOM 0 H VAL A 51 5.702 16.939 8.182 1.00 0.00 H new ATOM 0 HA VAL A 51 3.802 15.390 9.783 1.00 0.00 H new ATOM 0 HB VAL A 51 6.389 16.827 10.320 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.284 15.865 12.592 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.970 17.030 12.299 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.635 15.283 12.261 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.228 14.542 10.732 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.633 13.885 10.297 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.608 14.735 9.075 1.00 0.00 H new ATOM 765 N GLY A 52 2.453 17.117 10.825 1.00 0.00 N ATOM 766 CA GLY A 52 1.564 18.127 11.375 1.00 0.00 C ATOM 767 C GLY A 52 0.479 18.509 10.367 1.00 0.00 C ATOM 768 O GLY A 52 -0.588 18.989 10.750 1.00 0.00 O ATOM 0 H GLY A 52 2.128 16.156 10.935 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.102 17.751 12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.138 19.012 11.649 1.00 0.00 H new ATOM 772 N SER A 53 0.787 18.283 9.099 1.00 0.00 N ATOM 773 CA SER A 53 -0.149 18.598 8.033 1.00 0.00 C ATOM 774 C SER A 53 -1.331 17.627 8.071 1.00 0.00 C ATOM 775 O SER A 53 -1.273 16.599 8.744 1.00 0.00 O ATOM 776 CB SER A 53 0.536 18.547 6.666 1.00 0.00 C ATOM 777 OG SER A 53 0.565 17.226 6.132 1.00 0.00 O ATOM 0 H SER A 53 1.672 17.885 8.785 1.00 0.00 H new ATOM 0 HA SER A 53 -0.515 19.613 8.188 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.013 19.206 5.974 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.555 18.924 6.757 1.00 0.00 H new ATOM 0 HG SER A 53 -0.061 17.163 5.381 1.00 0.00 H new ATOM 783 N ILE A 54 -2.375 17.988 7.340 1.00 0.00 N ATOM 784 CA ILE A 54 -3.569 17.162 7.282 1.00 0.00 C ATOM 785 C ILE A 54 -3.162 15.690 7.201 1.00 0.00 C ATOM 786 O ILE A 54 -3.581 14.880 8.027 1.00 0.00 O ATOM 787 CB ILE A 54 -4.477 17.613 6.135 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.928 19.061 6.330 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.663 16.660 5.968 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.819 19.197 7.567 1.00 0.00 C ATOM 0 H ILE A 54 -2.419 18.841 6.783 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.159 17.281 8.191 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.902 17.577 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.056 19.706 6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.471 19.398 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.292 17.003 5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.296 15.657 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.246 16.640 6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.125 20.237 7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.702 18.569 7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.265 18.882 8.451 1.00 0.00 H new ATOM 802 N ALA A 55 -2.350 15.387 6.199 1.00 0.00 N ATOM 803 CA ALA A 55 -1.881 14.026 6.000 1.00 0.00 C ATOM 804 C ALA A 55 -1.546 13.403 7.356 1.00 0.00 C ATOM 805 O ALA A 55 -2.214 12.468 7.796 1.00 0.00 O ATOM 806 CB ALA A 55 -0.682 14.033 5.049 1.00 0.00 C ATOM 0 H ALA A 55 -2.005 16.061 5.516 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.658 13.416 5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.330 13.012 4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.980 14.458 4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.120 14.634 5.479 1.00 0.00 H new ATOM 812 N HIS A 56 -0.513 13.947 7.982 1.00 0.00 N ATOM 813 CA HIS A 56 -0.081 13.456 9.280 1.00 0.00 C ATOM 814 C HIS A 56 -1.305 13.141 10.143 1.00 0.00 C ATOM 815 O HIS A 56 -1.339 12.123 10.832 1.00 0.00 O ATOM 816 CB HIS A 56 0.874 14.448 9.946 1.00 0.00 C ATOM 817 CG HIS A 56 1.893 13.803 10.855 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.922 14.019 12.222 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.917 12.945 10.580 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.923 13.319 12.736 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.539 12.655 11.716 1.00 0.00 N ATOM 0 H HIS A 56 0.038 14.723 7.615 1.00 0.00 H new ATOM 0 HA HIS A 56 0.480 12.530 9.154 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.397 15.009 9.172 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.291 15.167 10.522 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.178 12.566 9.603 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.202 13.281 13.779 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.345 12.037 11.811 1.00 0.00 H new ATOM 829 N GLN A 57 -2.281 14.035 10.077 1.00 0.00 N ATOM 830 CA GLN A 57 -3.504 13.866 10.843 1.00 0.00 C ATOM 831 C GLN A 57 -4.344 12.728 10.258 1.00 0.00 C ATOM 832 O GLN A 57 -4.894 11.914 10.998 1.00 0.00 O ATOM 833 CB GLN A 57 -4.305 15.169 10.893 1.00 0.00 C ATOM 834 CG GLN A 57 -3.379 16.375 11.065 1.00 0.00 C ATOM 835 CD GLN A 57 -4.110 17.534 11.745 1.00 0.00 C ATOM 836 OE1 GLN A 57 -4.566 17.438 12.873 1.00 0.00 O ATOM 837 NE2 GLN A 57 -4.195 18.632 10.999 1.00 0.00 N ATOM 0 H GLN A 57 -2.249 14.879 9.505 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.235 13.604 11.866 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.885 15.279 9.977 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.016 15.131 11.718 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.511 16.090 11.659 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.008 16.695 10.091 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.791 18.645 10.062 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.664 19.461 11.364 1.00 0.00 H new ATOM 846 N ALA A 58 -4.416 12.709 8.935 1.00 0.00 N ATOM 847 CA ALA A 58 -5.180 11.684 8.243 1.00 0.00 C ATOM 848 C ALA A 58 -4.603 10.308 8.581 1.00 0.00 C ATOM 849 O ALA A 58 -5.347 9.342 8.741 1.00 0.00 O ATOM 850 CB ALA A 58 -5.168 11.968 6.739 1.00 0.00 C ATOM 0 H ALA A 58 -3.959 13.386 8.324 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.220 11.694 8.569 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.741 11.200 6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.614 12.944 6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.140 11.962 6.376 1.00 0.00 H new ATOM 856 N GLY A 59 -3.282 10.263 8.680 1.00 0.00 N ATOM 857 CA GLY A 59 -2.597 9.022 8.996 1.00 0.00 C ATOM 858 C GLY A 59 -2.022 8.376 7.733 1.00 0.00 C ATOM 859 O GLY A 59 -2.144 7.168 7.539 1.00 0.00 O ATOM 0 H GLY A 59 -2.668 11.067 8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.794 9.216 9.707 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.290 8.333 9.478 1.00 0.00 H new ATOM 863 N LEU A 60 -1.407 9.211 6.908 1.00 0.00 N ATOM 864 CA LEU A 60 -0.813 8.736 5.670 1.00 0.00 C ATOM 865 C LEU A 60 0.666 8.422 5.907 1.00 0.00 C ATOM 866 O LEU A 60 1.315 9.060 6.735 1.00 0.00 O ATOM 867 CB LEU A 60 -1.055 9.740 4.541 1.00 0.00 C ATOM 868 CG LEU A 60 -2.490 9.827 4.017 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.735 11.161 3.310 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.820 8.633 3.120 1.00 0.00 C ATOM 0 H LEU A 60 -1.307 10.213 7.073 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.289 7.809 5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.756 10.728 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.400 9.485 3.708 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.168 9.785 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.762 11.197 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.568 11.980 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.049 11.258 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.846 8.720 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.138 8.617 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.712 7.710 3.689 1.00 0.00 H new ATOM 882 N GLU A 61 1.155 7.439 5.165 1.00 0.00 N ATOM 883 CA GLU A 61 2.545 7.032 5.284 1.00 0.00 C ATOM 884 C GLU A 61 3.151 6.803 3.898 1.00 0.00 C ATOM 885 O GLU A 61 2.443 6.838 2.893 1.00 0.00 O ATOM 886 CB GLU A 61 2.678 5.781 6.155 1.00 0.00 C ATOM 887 CG GLU A 61 1.921 4.602 5.540 1.00 0.00 C ATOM 888 CD GLU A 61 2.602 3.275 5.882 1.00 0.00 C ATOM 889 OE1 GLU A 61 3.852 3.265 5.893 1.00 0.00 O ATOM 890 OE2 GLU A 61 1.857 2.302 6.125 1.00 0.00 O ATOM 0 H GLU A 61 0.614 6.913 4.479 1.00 0.00 H new ATOM 0 HA GLU A 61 3.098 7.834 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.731 5.523 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.291 5.986 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.895 4.593 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.872 4.721 4.458 1.00 0.00 H new ATOM 897 N TYR A 62 4.456 6.573 3.889 1.00 0.00 N ATOM 898 CA TYR A 62 5.166 6.338 2.643 1.00 0.00 C ATOM 899 C TYR A 62 5.037 4.877 2.206 1.00 0.00 C ATOM 900 O TYR A 62 4.808 3.996 3.033 1.00 0.00 O ATOM 901 CB TYR A 62 6.637 6.643 2.932 1.00 0.00 C ATOM 902 CG TYR A 62 7.569 6.390 1.745 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.843 5.098 1.346 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.137 7.454 1.075 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.720 4.860 0.229 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.014 7.216 -0.042 1.00 0.00 C ATOM 907 CZ TYR A 62 9.263 5.931 -0.410 1.00 0.00 C ATOM 908 OH TYR A 62 10.091 5.706 -1.465 1.00 0.00 O ATOM 0 H TYR A 62 5.040 6.544 4.725 1.00 0.00 H new ATOM 0 HA TYR A 62 4.759 6.960 1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.728 7.685 3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.965 6.034 3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.400 4.265 1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.924 8.465 1.388 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.942 3.854 -0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.464 8.040 -0.576 1.00 0.00 H new ATOM 0 HH TYR A 62 10.403 6.563 -1.824 1.00 0.00 H new ATOM 918 N GLY A 63 5.189 4.666 0.907 1.00 0.00 N ATOM 919 CA GLY A 63 5.093 3.327 0.350 1.00 0.00 C ATOM 920 C GLY A 63 3.634 2.948 0.084 1.00 0.00 C ATOM 921 O GLY A 63 3.360 1.936 -0.558 1.00 0.00 O ATOM 0 H GLY A 63 5.378 5.400 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.662 3.274 -0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.539 2.610 1.039 1.00 0.00 H new ATOM 925 N ASP A 64 2.738 3.782 0.591 1.00 0.00 N ATOM 926 CA ASP A 64 1.315 3.546 0.416 1.00 0.00 C ATOM 927 C ASP A 64 0.890 4.023 -0.974 1.00 0.00 C ATOM 928 O ASP A 64 0.835 5.225 -1.232 1.00 0.00 O ATOM 929 CB ASP A 64 0.497 4.321 1.452 1.00 0.00 C ATOM 930 CG ASP A 64 0.083 3.515 2.684 1.00 0.00 C ATOM 931 OD1 ASP A 64 0.971 2.835 3.242 1.00 0.00 O ATOM 932 OD2 ASP A 64 -1.112 3.596 3.040 1.00 0.00 O ATOM 0 H ASP A 64 2.970 4.621 1.122 1.00 0.00 H new ATOM 0 HA ASP A 64 1.133 2.478 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.077 5.184 1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.401 4.706 0.969 1.00 0.00 H new ATOM 937 N GLN A 65 0.602 3.057 -1.834 1.00 0.00 N ATOM 938 CA GLN A 65 0.184 3.364 -3.191 1.00 0.00 C ATOM 939 C GLN A 65 -1.261 3.866 -3.202 1.00 0.00 C ATOM 940 O GLN A 65 -2.158 3.195 -2.694 1.00 0.00 O ATOM 941 CB GLN A 65 0.348 2.146 -4.103 1.00 0.00 C ATOM 942 CG GLN A 65 0.400 2.565 -5.574 1.00 0.00 C ATOM 943 CD GLN A 65 -0.301 1.536 -6.463 1.00 0.00 C ATOM 944 OE1 GLN A 65 -0.112 0.337 -6.335 1.00 0.00 O ATOM 945 NE2 GLN A 65 -1.117 2.068 -7.367 1.00 0.00 N ATOM 0 H GLN A 65 0.650 2.061 -1.617 1.00 0.00 H new ATOM 0 HA GLN A 65 0.825 4.156 -3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.261 1.611 -3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.481 1.456 -3.947 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.074 3.539 -5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.438 2.675 -5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.229 3.080 -7.420 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.631 1.464 -8.008 1.00 0.00 H new ATOM 954 N LEU A 66 -1.441 5.041 -3.786 1.00 0.00 N ATOM 955 CA LEU A 66 -2.762 5.641 -3.869 1.00 0.00 C ATOM 956 C LEU A 66 -3.490 5.093 -5.098 1.00 0.00 C ATOM 957 O LEU A 66 -3.060 5.313 -6.229 1.00 0.00 O ATOM 958 CB LEU A 66 -2.660 7.168 -3.845 1.00 0.00 C ATOM 959 CG LEU A 66 -1.768 7.763 -2.754 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.393 9.210 -3.081 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.429 7.639 -1.379 1.00 0.00 C ATOM 0 H LEU A 66 -0.694 5.594 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.358 5.371 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.288 7.503 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.663 7.578 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.841 7.190 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.759 9.609 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.854 9.241 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.298 9.812 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.775 8.069 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.380 8.172 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.604 6.587 -1.153 1.00 0.00 H new ATOM 973 N LEU A 67 -4.581 4.388 -4.834 1.00 0.00 N ATOM 974 CA LEU A 67 -5.372 3.806 -5.904 1.00 0.00 C ATOM 975 C LEU A 67 -6.402 4.830 -6.386 1.00 0.00 C ATOM 976 O LEU A 67 -6.501 5.101 -7.582 1.00 0.00 O ATOM 977 CB LEU A 67 -5.988 2.480 -5.455 1.00 0.00 C ATOM 978 CG LEU A 67 -5.000 1.388 -5.038 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.712 0.263 -4.285 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.220 0.865 -6.246 1.00 0.00 C ATOM 0 H LEU A 67 -4.935 4.207 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.738 3.564 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.655 2.678 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.603 2.094 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.276 1.826 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.987 -0.500 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.185 0.667 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.472 -0.181 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.525 0.090 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.915 0.448 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.664 1.684 -6.702 1.00 0.00 H new ATOM 992 N GLU A 68 -7.143 5.371 -5.430 1.00 0.00 N ATOM 993 CA GLU A 68 -8.161 6.360 -5.741 1.00 0.00 C ATOM 994 C GLU A 68 -8.138 7.489 -4.710 1.00 0.00 C ATOM 995 O GLU A 68 -7.732 7.283 -3.567 1.00 0.00 O ATOM 996 CB GLU A 68 -9.547 5.715 -5.817 1.00 0.00 C ATOM 997 CG GLU A 68 -9.676 4.837 -7.063 1.00 0.00 C ATOM 998 CD GLU A 68 -10.990 4.053 -7.048 1.00 0.00 C ATOM 999 OE1 GLU A 68 -12.033 4.690 -7.309 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -10.921 2.835 -6.776 1.00 0.00 O ATOM 0 H GLU A 68 -7.059 5.143 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.939 6.785 -6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.722 5.114 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.313 6.491 -5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.630 5.459 -7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.836 4.144 -7.113 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.578 8.659 -5.150 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.613 9.822 -4.279 1.00 0.00 C ATOM 1009 C PHE A 69 -10.007 10.451 -4.261 1.00 0.00 C ATOM 1010 O PHE A 69 -10.345 11.246 -5.137 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.616 10.835 -4.846 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.638 12.192 -4.139 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -6.849 12.406 -3.053 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -8.448 13.184 -4.598 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -6.870 13.665 -2.397 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -8.469 14.443 -3.942 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.679 14.657 -2.856 1.00 0.00 C ATOM 0 H PHE A 69 -8.913 8.827 -6.099 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.362 9.531 -3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.611 10.418 -4.778 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.828 10.985 -5.905 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.206 11.618 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.075 13.014 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.244 13.835 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.112 15.231 -4.305 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.694 15.615 -2.358 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.779 10.073 -3.253 1.00 0.00 N ATOM 1028 CA ASN A 70 -12.129 10.591 -3.109 1.00 0.00 C ATOM 1029 C ASN A 70 -13.003 10.046 -4.240 1.00 0.00 C ATOM 1030 O ASN A 70 -14.126 10.507 -4.439 1.00 0.00 O ATOM 1031 CB ASN A 70 -12.145 12.119 -3.193 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.867 12.727 -1.989 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.494 12.042 -1.198 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.746 14.048 -1.896 1.00 0.00 N ATOM 0 H ASN A 70 -10.495 9.414 -2.528 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.507 10.280 -2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.123 12.495 -3.236 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.639 12.431 -4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.193 14.548 -1.128 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.206 14.561 -2.593 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.455 9.072 -4.952 1.00 0.00 N ATOM 1042 CA GLY A 71 -13.171 8.459 -6.058 1.00 0.00 C ATOM 1043 C GLY A 71 -12.369 8.566 -7.356 1.00 0.00 C ATOM 1044 O GLY A 71 -12.511 7.731 -8.248 1.00 0.00 O ATOM 0 H GLY A 71 -11.523 8.692 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.367 7.411 -5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.139 8.944 -6.183 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.543 9.600 -7.421 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.718 9.826 -8.595 1.00 0.00 C ATOM 1050 C ILE A 72 -9.790 8.627 -8.800 1.00 0.00 C ATOM 1051 O ILE A 72 -9.271 8.067 -7.835 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.981 11.162 -8.483 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.869 12.319 -8.946 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.652 11.121 -9.241 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.871 13.453 -7.919 1.00 0.00 C ATOM 0 H ILE A 72 -11.428 10.291 -6.679 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.339 9.905 -9.487 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.747 11.336 -7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -10.513 12.693 -9.906 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.887 11.962 -9.101 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.149 12.083 -9.145 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.019 10.337 -8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.840 10.913 -10.294 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -11.510 14.263 -8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -11.250 13.081 -6.967 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.855 13.824 -7.785 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.609 8.268 -10.063 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.752 7.146 -10.406 1.00 0.00 C ATOM 1069 C ASN A 73 -7.301 7.624 -10.487 1.00 0.00 C ATOM 1070 O ASN A 73 -6.890 8.205 -11.490 1.00 0.00 O ATOM 1071 CB ASN A 73 -9.133 6.559 -11.767 1.00 0.00 C ATOM 1072 CG ASN A 73 -9.220 5.033 -11.700 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -8.226 4.333 -11.595 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -10.460 4.558 -11.768 1.00 0.00 N ATOM 0 H ASN A 73 -10.041 8.734 -10.861 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.871 6.383 -9.637 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.091 6.968 -12.088 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.395 6.852 -12.513 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.623 3.552 -11.733 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.248 5.200 -11.855 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.564 7.360 -9.418 1.00 0.00 N ATOM 1082 CA LEU A 74 -5.168 7.756 -9.355 1.00 0.00 C ATOM 1083 C LEU A 74 -4.315 6.719 -10.089 1.00 0.00 C ATOM 1084 O LEU A 74 -3.220 7.028 -10.555 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.741 7.987 -7.904 1.00 0.00 C ATOM 1086 CG LEU A 74 -5.053 9.369 -7.325 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -4.447 9.528 -5.929 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -4.598 10.477 -8.277 1.00 0.00 C ATOM 0 H LEU A 74 -6.908 6.876 -8.588 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.019 8.709 -9.862 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.225 7.236 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.667 7.818 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.134 9.459 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.683 10.519 -5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.860 8.769 -5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.365 9.409 -5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.831 11.449 -7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.523 10.400 -8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.116 10.373 -9.231 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.849 5.509 -10.167 1.00 0.00 N ATOM 1101 CA ARG A 75 -4.151 4.424 -10.836 1.00 0.00 C ATOM 1102 C ARG A 75 -3.582 4.904 -12.173 1.00 0.00 C ATOM 1103 O ARG A 75 -2.582 4.373 -12.653 1.00 0.00 O ATOM 1104 CB ARG A 75 -5.084 3.238 -11.083 1.00 0.00 C ATOM 1105 CG ARG A 75 -4.736 2.065 -10.164 1.00 0.00 C ATOM 1106 CD ARG A 75 -5.425 0.781 -10.628 1.00 0.00 C ATOM 1107 NE ARG A 75 -6.680 0.577 -9.871 1.00 0.00 N ATOM 1108 CZ ARG A 75 -7.635 -0.296 -10.220 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -7.484 -1.051 -11.316 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -8.741 -0.414 -9.472 1.00 0.00 N ATOM 0 H ARG A 75 -5.757 5.256 -9.778 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.338 4.102 -10.185 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.117 3.542 -10.915 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.010 2.923 -12.124 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.656 1.918 -10.150 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.040 2.296 -9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.640 0.839 -11.695 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.761 -0.071 -10.483 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.827 1.136 -9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.642 -0.961 -11.885 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.211 -1.715 -11.582 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.856 0.161 -8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.468 -1.078 -9.738 1.00 0.00 H new ATOM 1124 N SER A 76 -4.245 5.903 -12.737 1.00 0.00 N ATOM 1125 CA SER A 76 -3.818 6.461 -14.010 1.00 0.00 C ATOM 1126 C SER A 76 -3.724 7.984 -13.908 1.00 0.00 C ATOM 1127 O SER A 76 -4.443 8.702 -14.603 1.00 0.00 O ATOM 1128 CB SER A 76 -4.775 6.061 -15.135 1.00 0.00 C ATOM 1129 OG SER A 76 -6.117 6.455 -14.859 1.00 0.00 O ATOM 0 H SER A 76 -5.075 6.341 -12.336 1.00 0.00 H new ATOM 0 HA SER A 76 -2.833 6.058 -14.248 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.448 6.518 -16.069 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.736 4.981 -15.277 1.00 0.00 H new ATOM 0 HG SER A 76 -6.154 7.427 -14.739 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.832 8.434 -13.038 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.635 9.859 -12.837 1.00 0.00 C ATOM 1137 C ALA A 77 -1.139 10.173 -12.877 1.00 0.00 C ATOM 1138 O ALA A 77 -0.311 9.306 -12.602 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.285 10.284 -11.518 1.00 0.00 C ATOM 0 H ALA A 77 -2.237 7.836 -12.464 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.113 10.428 -13.634 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.137 11.353 -11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.353 10.067 -11.552 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.829 9.735 -10.694 1.00 0.00 H new ATOM 1145 N THR A 78 -0.836 11.417 -13.221 1.00 0.00 N ATOM 1146 CA THR A 78 0.546 11.856 -13.301 1.00 0.00 C ATOM 1147 C THR A 78 0.955 12.568 -12.010 1.00 0.00 C ATOM 1148 O THR A 78 0.133 13.224 -11.372 1.00 0.00 O ATOM 1149 CB THR A 78 0.694 12.728 -14.549 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.508 13.493 -14.582 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.652 11.912 -15.842 1.00 0.00 C ATOM 0 H THR A 78 -1.525 12.134 -13.447 1.00 0.00 H new ATOM 0 HA THR A 78 1.225 11.009 -13.397 1.00 0.00 H new ATOM 0 HB THR A 78 1.633 13.278 -14.498 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.449 14.165 -15.293 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.761 12.579 -16.697 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.466 11.187 -15.841 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.301 11.388 -15.911 1.00 0.00 H new ATOM 1159 N GLU A 79 2.224 12.416 -11.664 1.00 0.00 N ATOM 1160 CA GLU A 79 2.752 13.036 -10.461 1.00 0.00 C ATOM 1161 C GLU A 79 2.280 14.488 -10.362 1.00 0.00 C ATOM 1162 O GLU A 79 1.923 14.957 -9.282 1.00 0.00 O ATOM 1163 CB GLU A 79 4.279 12.952 -10.424 1.00 0.00 C ATOM 1164 CG GLU A 79 4.869 13.097 -11.829 1.00 0.00 C ATOM 1165 CD GLU A 79 6.329 13.552 -11.766 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.536 14.770 -11.576 1.00 0.00 O ATOM 1167 OE2 GLU A 79 7.205 12.671 -11.909 1.00 0.00 O ATOM 0 H GLU A 79 2.903 11.872 -12.196 1.00 0.00 H new ATOM 0 HA GLU A 79 2.371 12.490 -9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.675 13.735 -9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.584 11.998 -9.994 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.803 12.145 -12.355 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.284 13.818 -12.400 1.00 0.00 H new ATOM 1174 N GLN A 80 2.295 15.161 -11.503 1.00 0.00 N ATOM 1175 CA GLN A 80 1.873 16.550 -11.559 1.00 0.00 C ATOM 1176 C GLN A 80 0.388 16.669 -11.208 1.00 0.00 C ATOM 1177 O GLN A 80 -0.017 17.600 -10.514 1.00 0.00 O ATOM 1178 CB GLN A 80 2.161 17.156 -12.934 1.00 0.00 C ATOM 1179 CG GLN A 80 1.231 16.568 -13.998 1.00 0.00 C ATOM 1180 CD GLN A 80 1.829 16.730 -15.397 1.00 0.00 C ATOM 1181 OE1 GLN A 80 2.902 17.278 -15.583 1.00 0.00 O ATOM 1182 NE2 GLN A 80 1.075 16.222 -16.369 1.00 0.00 N ATOM 0 H GLN A 80 2.593 14.770 -12.397 1.00 0.00 H new ATOM 0 HA GLN A 80 2.447 17.113 -10.823 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.034 18.238 -12.892 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.199 16.967 -13.208 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.059 15.512 -13.792 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.261 17.064 -13.953 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.186 15.776 -16.144 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.386 16.279 -17.339 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.382 15.711 -11.703 1.00 0.00 N ATOM 1192 CA GLN A 81 -1.813 15.696 -11.450 1.00 0.00 C ATOM 1193 C GLN A 81 -2.093 15.259 -10.011 1.00 0.00 C ATOM 1194 O GLN A 81 -2.874 15.896 -9.306 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.537 14.792 -12.449 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.048 15.595 -13.646 1.00 0.00 C ATOM 1197 CD GLN A 81 -3.943 14.736 -14.542 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -5.157 14.854 -14.546 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -3.277 13.868 -15.298 1.00 0.00 N ATOM 0 H GLN A 81 -0.042 14.940 -12.278 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.196 16.708 -11.582 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.860 14.010 -12.794 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.373 14.296 -11.956 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.606 16.463 -13.295 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.203 15.971 -14.223 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.259 13.821 -15.245 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.784 13.249 -15.931 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.441 14.175 -9.618 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.610 13.645 -8.276 1.00 0.00 C ATOM 1210 C ALA A 82 -1.412 14.771 -7.259 1.00 0.00 C ATOM 1211 O ALA A 82 -2.290 15.032 -6.438 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.636 12.485 -8.058 1.00 0.00 C ATOM 0 H ALA A 82 -0.794 13.649 -10.206 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.618 13.253 -8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.763 12.088 -7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.837 11.699 -8.786 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.387 12.841 -8.181 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.253 15.407 -7.346 1.00 0.00 N ATOM 1219 CA ARG A 83 0.071 16.499 -6.444 1.00 0.00 C ATOM 1220 C ARG A 83 -1.065 17.524 -6.421 1.00 0.00 C ATOM 1221 O ARG A 83 -1.254 18.225 -5.428 1.00 0.00 O ATOM 1222 CB ARG A 83 1.367 17.194 -6.864 1.00 0.00 C ATOM 1223 CG ARG A 83 2.586 16.334 -6.523 1.00 0.00 C ATOM 1224 CD ARG A 83 3.885 17.114 -6.734 1.00 0.00 C ATOM 1225 NE ARG A 83 5.042 16.294 -6.313 1.00 0.00 N ATOM 1226 CZ ARG A 83 6.321 16.650 -6.495 1.00 0.00 C ATOM 1227 NH1 ARG A 83 6.614 17.813 -7.092 1.00 0.00 N ATOM 1228 NH2 ARG A 83 7.307 15.843 -6.080 1.00 0.00 N ATOM 0 H ARG A 83 0.473 15.187 -8.027 1.00 0.00 H new ATOM 0 HA ARG A 83 0.204 16.077 -5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.346 17.393 -7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.446 18.158 -6.362 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.522 16.001 -5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.590 15.439 -7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.987 17.390 -7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.859 18.042 -6.162 1.00 0.00 H new ATOM 0 HE ARG A 83 4.855 15.402 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.864 18.427 -7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.588 18.084 -7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.084 14.958 -5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.280 16.114 -6.219 1.00 0.00 H new ATOM 1242 N LEU A 84 -1.792 17.579 -7.528 1.00 0.00 N ATOM 1243 CA LEU A 84 -2.904 18.506 -7.647 1.00 0.00 C ATOM 1244 C LEU A 84 -4.160 17.870 -7.049 1.00 0.00 C ATOM 1245 O LEU A 84 -4.781 18.438 -6.151 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.074 18.954 -9.100 1.00 0.00 C ATOM 1247 CG LEU A 84 -2.060 19.980 -9.609 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -1.764 19.768 -11.095 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -2.529 21.407 -9.316 1.00 0.00 C ATOM 0 H LEU A 84 -1.632 16.997 -8.350 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.705 19.414 -7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.021 18.073 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.074 19.373 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.124 19.832 -9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.040 20.510 -11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.355 18.769 -11.246 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.685 19.873 -11.668 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.790 22.117 -9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.484 21.585 -9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.648 21.537 -8.240 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.497 16.699 -7.570 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.668 15.979 -7.098 1.00 0.00 C ATOM 1263 C ILE A 85 -5.651 15.933 -5.569 1.00 0.00 C ATOM 1264 O ILE A 85 -6.685 16.112 -4.927 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.748 14.599 -7.754 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -5.846 14.720 -9.276 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -6.901 13.781 -7.169 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.928 13.340 -9.932 1.00 0.00 C ATOM 0 H ILE A 85 -3.980 16.231 -8.314 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.580 16.500 -7.391 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.826 14.061 -7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.726 15.306 -9.542 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.978 15.257 -9.658 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.936 12.805 -7.652 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.748 13.651 -6.098 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.842 14.304 -7.340 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.997 13.455 -11.014 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.035 12.766 -9.684 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.810 12.815 -9.566 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.465 15.692 -5.029 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.300 15.620 -3.587 1.00 0.00 C ATOM 1282 C ILE A 86 -4.225 17.037 -3.015 1.00 0.00 C ATOM 1283 O ILE A 86 -4.712 17.293 -1.915 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.096 14.747 -3.228 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.783 15.470 -3.539 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.179 13.386 -3.922 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.622 14.479 -3.637 1.00 0.00 C ATOM 0 H ILE A 86 -3.609 15.544 -5.564 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.163 15.136 -3.129 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.116 14.562 -2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.878 16.018 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.575 16.204 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.311 12.785 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.088 12.873 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.197 13.529 -5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.299 15.018 -3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.514 13.950 -2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.822 13.761 -4.432 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.611 17.921 -3.788 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.465 19.305 -3.373 1.00 0.00 C ATOM 1301 C GLY A 87 -4.653 20.147 -3.845 1.00 0.00 C ATOM 1302 O GLY A 87 -4.489 21.312 -4.203 1.00 0.00 O ATOM 0 H GLY A 87 -3.209 17.705 -4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.387 19.357 -2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.540 19.715 -3.779 1.00 0.00 H new ATOM 1306 N GLN A 88 -5.822 19.524 -3.830 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.036 20.201 -4.252 1.00 0.00 C ATOM 1308 C GLN A 88 -7.806 20.719 -3.035 1.00 0.00 C ATOM 1309 O GLN A 88 -7.321 20.634 -1.908 1.00 0.00 O ATOM 1310 CB GLN A 88 -7.911 19.278 -5.103 1.00 0.00 C ATOM 1311 CG GLN A 88 -7.493 19.329 -6.574 1.00 0.00 C ATOM 1312 CD GLN A 88 -8.706 19.551 -7.481 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -9.263 20.633 -7.561 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.080 18.469 -8.157 1.00 0.00 N ATOM 0 H GLN A 88 -5.954 18.557 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.757 21.054 -4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -7.833 18.255 -4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.956 19.572 -5.008 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.771 20.132 -6.723 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.996 18.398 -6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.568 17.594 -8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.879 18.514 -8.790 1.00 0.00 H new ATOM 1323 N GLN A 89 -8.993 21.242 -3.305 1.00 0.00 N ATOM 1324 CA GLN A 89 -9.834 21.773 -2.246 1.00 0.00 C ATOM 1325 C GLN A 89 -10.965 20.794 -1.925 1.00 0.00 C ATOM 1326 O GLN A 89 -11.498 20.140 -2.820 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.390 23.147 -2.624 1.00 0.00 C ATOM 1328 CG GLN A 89 -11.297 23.053 -3.853 1.00 0.00 C ATOM 1329 CD GLN A 89 -10.487 23.191 -5.144 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -9.998 24.254 -5.490 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -10.372 22.060 -5.834 1.00 0.00 N ATOM 0 H GLN A 89 -9.392 21.309 -4.241 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.223 21.898 -1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.950 23.560 -1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.567 23.833 -2.826 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.822 22.098 -3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.056 23.834 -3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.806 21.205 -5.487 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.849 22.048 -6.710 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.297 20.722 -0.644 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.355 19.834 -0.194 1.00 0.00 C ATOM 1342 C CYS A 90 -12.241 19.682 1.324 1.00 0.00 C ATOM 1343 O CYS A 90 -11.334 19.016 1.819 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.300 18.482 -0.908 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.597 18.400 -2.195 1.00 0.00 S ATOM 0 H CYS A 90 -10.852 21.264 0.096 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.325 20.264 -0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.318 18.340 -1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.439 17.675 -0.188 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.273 19.175 -3.187 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.176 20.312 2.021 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.192 20.256 3.473 1.00 0.00 C ATOM 1353 C ASP A 91 -12.880 18.829 3.927 1.00 0.00 C ATOM 1354 O ASP A 91 -12.058 18.623 4.819 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.568 20.637 4.024 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.861 22.139 4.046 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -15.149 22.677 2.955 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -14.792 22.714 5.154 1.00 0.00 O ATOM 0 H ASP A 91 -13.928 20.864 1.607 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.447 20.959 3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.333 20.141 3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.657 20.250 5.039 1.00 0.00 H new ATOM 1363 N THR A 92 -13.553 17.880 3.293 1.00 0.00 N ATOM 1364 CA THR A 92 -13.358 16.478 3.621 1.00 0.00 C ATOM 1365 C THR A 92 -13.159 15.654 2.347 1.00 0.00 C ATOM 1366 O THR A 92 -13.974 15.721 1.428 1.00 0.00 O ATOM 1367 CB THR A 92 -14.551 16.018 4.462 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.511 16.860 5.611 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.361 14.608 5.026 1.00 0.00 C ATOM 0 H THR A 92 -14.234 18.054 2.554 1.00 0.00 H new ATOM 0 HA THR A 92 -12.452 16.332 4.209 1.00 0.00 H new ATOM 0 HB THR A 92 -15.456 16.047 3.855 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.252 16.631 6.210 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.236 14.331 5.614 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.237 13.902 4.205 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.475 14.586 5.661 1.00 0.00 H new ATOM 1377 N ILE A 93 -12.072 14.897 2.333 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.756 14.062 1.187 1.00 0.00 C ATOM 1379 C ILE A 93 -11.236 12.709 1.675 1.00 0.00 C ATOM 1380 O ILE A 93 -10.574 12.630 2.709 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.794 14.788 0.244 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -9.934 13.790 -0.536 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.942 15.804 1.007 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.738 13.327 0.298 1.00 0.00 C ATOM 0 H ILE A 93 -11.399 14.844 3.097 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.653 13.865 0.600 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.384 15.344 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.538 12.929 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.582 14.251 -1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.267 16.306 0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.591 16.541 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.360 15.290 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.144 12.619 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.123 14.187 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.094 12.844 1.208 1.00 0.00 H new ATOM 1396 N THR A 94 -11.555 11.677 0.908 1.00 0.00 N ATOM 1397 CA THR A 94 -11.127 10.330 1.250 1.00 0.00 C ATOM 1398 C THR A 94 -10.009 9.871 0.312 1.00 0.00 C ATOM 1399 O THR A 94 -9.870 10.391 -0.795 1.00 0.00 O ATOM 1400 CB THR A 94 -12.358 9.422 1.218 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.347 10.152 1.939 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.164 8.145 2.039 1.00 0.00 C ATOM 0 H THR A 94 -12.104 11.746 0.051 1.00 0.00 H new ATOM 0 HA THR A 94 -10.702 10.292 2.253 1.00 0.00 H new ATOM 0 HB THR A 94 -12.588 9.159 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.180 9.636 1.966 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.066 7.536 1.983 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.320 7.581 1.641 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.967 8.407 3.079 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.241 8.903 0.788 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.140 8.368 0.006 1.00 0.00 C ATOM 1412 C ILE A 95 -8.194 6.839 0.036 1.00 0.00 C ATOM 1413 O ILE A 95 -8.491 6.245 1.071 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.809 8.946 0.490 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.513 10.285 -0.189 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.671 7.941 0.294 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.538 11.118 0.645 1.00 0.00 C ATOM 0 H ILE A 95 -9.359 8.475 1.706 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.232 8.670 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.889 9.138 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.093 10.110 -1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.441 10.838 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.736 8.377 0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.885 7.034 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.581 7.695 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.344 12.065 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.972 11.312 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.602 10.572 0.764 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.902 6.246 -1.113 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.913 4.798 -1.231 1.00 0.00 C ATOM 1431 C LEU A 96 -6.481 4.295 -1.427 1.00 0.00 C ATOM 1432 O LEU A 96 -6.052 4.058 -2.555 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.876 4.358 -2.335 1.00 0.00 C ATOM 1434 CG LEU A 96 -8.766 2.897 -2.779 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.307 1.955 -1.702 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.454 2.681 -4.128 1.00 0.00 C ATOM 0 H LEU A 96 -7.657 6.742 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.287 4.344 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.895 4.537 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.715 4.994 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.711 2.659 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.217 0.923 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.734 2.085 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.355 2.184 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.361 1.635 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.509 2.942 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.983 3.312 -4.882 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.782 4.147 -0.312 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.407 3.677 -0.347 1.00 0.00 C ATOM 1450 C ALA A 97 -4.396 2.147 -0.333 1.00 0.00 C ATOM 1451 O ALA A 97 -5.445 1.516 -0.219 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.632 4.277 0.828 1.00 0.00 C ATOM 0 H ALA A 97 -6.142 4.344 0.622 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.913 4.002 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.601 3.924 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.646 5.365 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.097 3.970 1.765 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.197 1.595 -0.449 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.035 0.151 -0.452 1.00 0.00 C ATOM 1460 C GLN A 98 -1.554 -0.217 -0.334 1.00 0.00 C ATOM 1461 O GLN A 98 -0.897 -0.488 -1.337 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.656 -0.468 -1.705 1.00 0.00 C ATOM 1463 CG GLN A 98 -3.567 -1.995 -1.663 1.00 0.00 C ATOM 1464 CD GLN A 98 -3.834 -2.598 -3.044 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -3.342 -2.132 -4.059 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -4.638 -3.657 -3.026 1.00 0.00 N ATOM 0 H GLN A 98 -2.328 2.122 -0.542 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.560 -0.256 0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.699 -0.163 -1.787 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.144 -0.094 -2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.579 -2.296 -1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.289 -2.385 -0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.016 -3.996 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -4.877 -4.131 -3.897 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.073 -0.214 0.900 1.00 0.00 N ATOM 1476 CA TYR A 99 0.317 -0.544 1.162 1.00 0.00 C ATOM 1477 C TYR A 99 0.798 -1.665 0.238 1.00 0.00 C ATOM 1478 O TYR A 99 0.170 -2.720 0.158 1.00 0.00 O ATOM 1479 CB TYR A 99 0.369 -1.036 2.610 1.00 0.00 C ATOM 1480 CG TYR A 99 1.783 -1.312 3.124 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.477 -2.417 2.675 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.366 -0.455 4.036 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.808 -2.677 3.159 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.697 -0.715 4.520 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.352 -1.813 4.057 1.00 0.00 C ATOM 1486 OH TYR A 99 5.610 -2.059 4.514 1.00 0.00 O ATOM 0 H TYR A 99 -1.621 0.012 1.730 1.00 0.00 H new ATOM 0 HA TYR A 99 0.955 0.323 0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.101 -0.292 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.221 -1.948 2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.022 -3.087 1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.824 0.411 4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.362 -3.539 2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.164 -0.053 5.234 1.00 0.00 H new ATOM 0 HH TYR A 99 5.870 -1.359 5.149 1.00 0.00 H new ATOM 1496 N ASN A 100 1.907 -1.399 -0.435 1.00 0.00 N ATOM 1497 CA ASN A 100 2.479 -2.372 -1.350 1.00 0.00 C ATOM 1498 C ASN A 100 3.989 -2.460 -1.116 1.00 0.00 C ATOM 1499 O ASN A 100 4.705 -1.474 -1.281 1.00 0.00 O ATOM 1500 CB ASN A 100 2.250 -1.960 -2.806 1.00 0.00 C ATOM 1501 CG ASN A 100 1.752 -3.143 -3.639 1.00 0.00 C ATOM 1502 OD1 ASN A 100 0.587 -3.505 -3.616 1.00 0.00 O ATOM 1503 ND2 ASN A 100 2.697 -3.724 -4.373 1.00 0.00 N ATOM 0 H ASN A 100 2.425 -0.523 -0.365 1.00 0.00 H new ATOM 0 HA ASN A 100 1.996 -3.332 -1.166 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.523 -1.149 -2.848 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.179 -1.578 -3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.465 -4.523 -4.963 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.653 -3.370 -4.346 1.00 0.00 H new ATOM 1510 N PRO A 101 4.439 -3.682 -0.724 1.00 0.00 N ATOM 1511 CA PRO A 101 5.850 -3.912 -0.466 1.00 0.00 C ATOM 1512 C PRO A 101 6.640 -4.002 -1.773 1.00 0.00 C ATOM 1513 O PRO A 101 6.250 -3.412 -2.780 1.00 0.00 O ATOM 1514 CB PRO A 101 5.897 -5.197 0.346 1.00 0.00 C ATOM 1515 CG PRO A 101 4.561 -5.884 0.116 1.00 0.00 C ATOM 1516 CD PRO A 101 3.620 -4.873 -0.519 1.00 0.00 C ATOM 0 HA PRO A 101 6.316 -3.093 0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.723 -5.832 0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 101 6.050 -4.985 1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.684 -6.751 -0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.151 -6.247 1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.218 -5.244 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.770 -4.662 0.129 1.00 0.00 H new