USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 829 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot -94:sc= 0.785 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -3.82! F(o=-4.9,f=-3.8!) USER MOD Single : A 32 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.6) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 99:sc= 0.228 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.35 K(o=-0.35,f=-1.2) USER MOD Single : A 43 ASN : amide:sc= -1.27! C(o=-1.3!,f=-1!) USER MOD Single : A 49 GLN : amide:sc= -0.748 K(o=-0.75,f=-4.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0597 K(o=-0.06,f=-1.7!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -125:sc= 0.151 (180deg=-0.118) USER MOD Single : A 67 THR OG1 : rot 9:sc= 0.516 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -3.66 K(o=-3.7,f=-4.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -95:sc= 0.933 USER MOD Single : A 94 TYR OH : rot 148:sc= 0.0464 USER MOD Single : A 97 SER OG : rot 165:sc= -3.19! USER MOD Single : A 99 GLN : amide:sc=-0.00299 X(o=-0.003,f=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 103 MET CE :methyl -170:sc= -0.464 (180deg=-0.813) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N ILE A 18 25.738 -3.014 8.228 1.00 0.00 N ATOM 229 CA ILE A 18 24.787 -2.097 7.613 1.00 0.00 C ATOM 230 C ILE A 18 24.912 -0.697 8.204 1.00 0.00 C ATOM 231 O ILE A 18 24.941 -0.527 9.423 1.00 0.00 O ATOM 232 CB ILE A 18 23.337 -2.588 7.788 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.149 -3.944 7.104 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.360 -1.566 7.227 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.000 -4.750 7.667 1.00 0.00 C ATOM 0 HA ILE A 18 25.025 -2.063 6.550 1.00 0.00 H new ATOM 0 HB ILE A 18 23.136 -2.708 8.853 1.00 0.00 H new ATOM 0 HG12 ILE A 18 22.983 -3.785 6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.069 -4.521 7.200 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.340 -1.927 7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.480 -0.620 7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.559 -1.417 6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 18 21.926 -5.698 7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.174 -4.941 8.726 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.071 -4.193 7.546 1.00 0.00 H new ATOM 247 N ALA A 19 24.983 0.303 7.332 1.00 0.00 N ATOM 248 CA ALA A 19 25.101 1.689 7.768 1.00 0.00 C ATOM 249 C ALA A 19 23.932 2.085 8.663 1.00 0.00 C ATOM 250 O ALA A 19 24.128 2.574 9.775 1.00 0.00 O ATOM 251 CB ALA A 19 25.184 2.616 6.564 1.00 0.00 C ATOM 0 H ALA A 19 24.961 0.179 6.320 1.00 0.00 H new ATOM 0 HA ALA A 19 26.018 1.784 8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.272 3.648 6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.056 2.356 5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.283 2.509 5.960 1.00 0.00 H new ATOM 257 N GLU A 20 22.716 1.870 8.170 1.00 0.00 N ATOM 258 CA GLU A 20 21.515 2.207 8.926 1.00 0.00 C ATOM 259 C GLU A 20 20.449 1.128 8.761 1.00 0.00 C ATOM 260 O GLU A 20 20.207 0.621 7.666 1.00 0.00 O ATOM 261 CB GLU A 20 20.963 3.560 8.472 1.00 0.00 C ATOM 262 CG GLU A 20 19.884 4.114 9.388 1.00 0.00 C ATOM 263 CD GLU A 20 20.445 4.659 10.687 1.00 0.00 C ATOM 264 OE1 GLU A 20 21.646 5.001 10.716 1.00 0.00 O ATOM 265 OE2 GLU A 20 19.684 4.744 11.673 1.00 0.00 O ATOM 0 H GLU A 20 22.537 1.464 7.251 1.00 0.00 H new ATOM 0 HA GLU A 20 21.785 2.269 9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.782 4.277 8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.557 3.458 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.344 4.906 8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.162 3.328 9.610 1.00 0.00 H new ATOM 272 N PRO A 21 19.795 0.768 9.876 1.00 0.00 N ATOM 273 CA PRO A 21 18.744 -0.254 9.882 1.00 0.00 C ATOM 274 C PRO A 21 17.477 0.214 9.172 1.00 0.00 C ATOM 275 O PRO A 21 17.140 1.398 9.169 1.00 0.00 O ATOM 276 CB PRO A 21 18.472 -0.474 11.372 1.00 0.00 C ATOM 277 CG PRO A 21 18.879 0.802 12.024 1.00 0.00 C ATOM 278 CD PRO A 21 20.032 1.330 11.216 1.00 0.00 C ATOM 0 HA PRO A 21 19.050 -1.157 9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.420 -0.694 11.554 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.045 -1.317 11.759 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.054 1.514 12.038 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.173 0.634 13.060 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.045 2.420 11.198 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.990 1.007 11.624 1.00 0.00 H new ATOM 286 N PRO A 22 16.758 -0.737 8.557 1.00 0.00 N ATOM 287 CA PRO A 22 15.516 -0.446 7.834 1.00 0.00 C ATOM 288 C PRO A 22 14.379 -0.053 8.770 1.00 0.00 C ATOM 289 O PRO A 22 14.053 -0.780 9.709 1.00 0.00 O ATOM 290 CB PRO A 22 15.197 -1.767 7.131 1.00 0.00 C ATOM 291 CG PRO A 22 15.859 -2.809 7.964 1.00 0.00 C ATOM 292 CD PRO A 22 17.101 -2.168 8.521 1.00 0.00 C ATOM 0 HA PRO A 22 15.629 0.398 7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.121 -1.933 7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.579 -1.775 6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.200 -3.145 8.765 1.00 0.00 H new ATOM 0 HG3 PRO A 22 16.107 -3.686 7.367 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.340 -2.549 9.514 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.969 -2.358 7.890 1.00 0.00 H new ATOM 300 N LYS A 23 13.777 1.103 8.510 1.00 0.00 N ATOM 301 CA LYS A 23 12.674 1.593 9.328 1.00 0.00 C ATOM 302 C LYS A 23 11.600 2.243 8.460 1.00 0.00 C ATOM 303 O LYS A 23 11.866 3.216 7.754 1.00 0.00 O ATOM 304 CB LYS A 23 13.186 2.597 10.363 1.00 0.00 C ATOM 305 CG LYS A 23 12.078 3.306 11.122 1.00 0.00 C ATOM 306 CD LYS A 23 11.565 2.462 12.277 1.00 0.00 C ATOM 307 CE LYS A 23 10.472 3.182 13.052 1.00 0.00 C ATOM 308 NZ LYS A 23 9.563 2.228 13.745 1.00 0.00 N ATOM 0 H LYS A 23 14.035 1.718 7.738 1.00 0.00 H new ATOM 0 HA LYS A 23 12.232 0.742 9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.828 2.077 11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.804 3.341 9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.448 4.258 11.502 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.257 3.532 10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.179 1.517 11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.390 2.222 12.948 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.926 3.849 13.785 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.893 3.805 12.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.832 2.758 14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.110 1.608 13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.111 1.651 14.415 1.00 0.00 H new ATOM 322 N ILE A 24 10.389 1.701 8.521 1.00 0.00 N ATOM 323 CA ILE A 24 9.276 2.231 7.743 1.00 0.00 C ATOM 324 C ILE A 24 8.491 3.267 8.541 1.00 0.00 C ATOM 325 O ILE A 24 7.737 2.923 9.451 1.00 0.00 O ATOM 326 CB ILE A 24 8.318 1.111 7.295 1.00 0.00 C ATOM 327 CG1 ILE A 24 9.008 0.195 6.282 1.00 0.00 C ATOM 328 CG2 ILE A 24 7.049 1.705 6.703 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.360 -1.166 6.159 1.00 0.00 C ATOM 0 H ILE A 24 10.153 0.896 9.101 1.00 0.00 H new ATOM 0 HA ILE A 24 9.706 2.705 6.861 1.00 0.00 H new ATOM 0 HB ILE A 24 8.045 0.516 8.167 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.005 0.679 5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.051 0.067 6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.382 0.901 6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.551 2.320 7.453 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.304 2.321 5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.901 -1.762 5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.386 -1.670 7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.325 -1.048 5.839 1.00 0.00 H new ATOM 341 N ARG A 25 8.673 4.537 8.192 1.00 0.00 N ATOM 342 CA ARG A 25 7.982 5.623 8.876 1.00 0.00 C ATOM 343 C ARG A 25 6.584 5.827 8.298 1.00 0.00 C ATOM 344 O ARG A 25 6.430 6.228 7.143 1.00 0.00 O ATOM 345 CB ARG A 25 8.786 6.919 8.762 1.00 0.00 C ATOM 346 CG ARG A 25 10.125 6.870 9.479 1.00 0.00 C ATOM 347 CD ARG A 25 9.954 6.990 10.986 1.00 0.00 C ATOM 348 NE ARG A 25 9.523 8.328 11.383 1.00 0.00 N ATOM 349 CZ ARG A 25 8.249 8.683 11.506 1.00 0.00 C ATOM 350 NH1 ARG A 25 7.286 7.803 11.266 1.00 0.00 N ATOM 351 NH2 ARG A 25 7.936 9.919 11.872 1.00 0.00 N ATOM 0 H ARG A 25 9.293 4.838 7.440 1.00 0.00 H new ATOM 0 HA ARG A 25 7.886 5.354 9.928 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.956 7.140 7.708 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.195 7.740 9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.632 5.934 9.242 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.762 7.678 9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.223 6.257 11.327 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.897 6.752 11.478 1.00 0.00 H new ATOM 0 HE ARG A 25 10.239 9.028 11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.523 6.851 10.986 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.308 8.078 11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.674 10.598 12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.957 10.191 11.966 1.00 0.00 H new ATOM 365 N LEU A 26 5.569 5.548 9.107 1.00 0.00 N ATOM 366 CA LEU A 26 4.183 5.700 8.677 1.00 0.00 C ATOM 367 C LEU A 26 3.580 6.988 9.226 1.00 0.00 C ATOM 368 O LEU A 26 3.630 7.264 10.425 1.00 0.00 O ATOM 369 CB LEU A 26 3.352 4.499 9.133 1.00 0.00 C ATOM 370 CG LEU A 26 3.300 3.314 8.168 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.605 2.127 8.818 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.594 3.706 6.879 1.00 0.00 C ATOM 0 H LEU A 26 5.679 5.215 10.065 1.00 0.00 H new ATOM 0 HA LEU A 26 4.170 5.751 7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.749 4.149 10.086 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.332 4.837 9.317 1.00 0.00 H new ATOM 0 HG LEU A 26 4.322 3.023 7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.577 1.293 8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.152 1.830 9.713 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.587 2.406 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.567 2.850 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.576 4.024 7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.133 4.525 6.404 1.00 0.00 H new ATOM 384 N PRO A 27 2.995 7.797 8.331 1.00 0.00 N ATOM 385 CA PRO A 27 2.368 9.069 8.704 1.00 0.00 C ATOM 386 C PRO A 27 1.088 8.871 9.508 1.00 0.00 C ATOM 387 O PRO A 27 0.822 7.778 10.011 1.00 0.00 O ATOM 388 CB PRO A 27 2.056 9.720 7.354 1.00 0.00 C ATOM 389 CG PRO A 27 1.933 8.579 6.403 1.00 0.00 C ATOM 390 CD PRO A 27 2.898 7.532 6.886 1.00 0.00 C ATOM 0 HA PRO A 27 3.015 9.670 9.343 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.134 10.300 7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.849 10.404 7.051 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.914 8.193 6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.172 8.891 5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.532 6.525 6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.867 7.622 6.395 1.00 0.00 H new ATOM 398 N ARG A 28 0.298 9.933 9.626 1.00 0.00 N ATOM 399 CA ARG A 28 -0.954 9.875 10.371 1.00 0.00 C ATOM 400 C ARG A 28 -2.149 9.830 9.422 1.00 0.00 C ATOM 401 O ARG A 28 -3.286 9.625 9.849 1.00 0.00 O ATOM 402 CB ARG A 28 -1.075 11.082 11.302 1.00 0.00 C ATOM 403 CG ARG A 28 -1.989 10.844 12.493 1.00 0.00 C ATOM 404 CD ARG A 28 -2.312 12.142 13.216 1.00 0.00 C ATOM 405 NE ARG A 28 -1.105 12.848 13.640 1.00 0.00 N ATOM 406 CZ ARG A 28 -1.102 14.104 14.070 1.00 0.00 C ATOM 407 NH1 ARG A 28 -2.235 14.790 14.134 1.00 0.00 N ATOM 408 NH2 ARG A 28 0.037 14.678 14.438 1.00 0.00 N ATOM 0 H ARG A 28 0.503 10.844 9.215 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.950 8.963 10.968 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.083 11.351 11.664 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.448 11.933 10.733 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.913 10.375 12.156 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.513 10.150 13.185 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.897 12.786 12.560 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.931 11.927 14.087 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.216 12.349 13.604 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.112 14.353 13.852 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.229 15.755 14.465 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.911 14.154 14.390 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.038 15.643 14.768 1.00 0.00 H new ATOM 422 N HIS A 29 -1.883 10.022 8.134 1.00 0.00 N ATOM 423 CA HIS A 29 -2.936 10.003 7.125 1.00 0.00 C ATOM 424 C HIS A 29 -3.155 8.589 6.595 1.00 0.00 C ATOM 425 O HIS A 29 -4.093 8.337 5.837 1.00 0.00 O ATOM 426 CB HIS A 29 -2.584 10.944 5.972 1.00 0.00 C ATOM 427 CG HIS A 29 -1.539 10.396 5.050 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.623 9.468 4.069 1.00 0.00 N flip ATOM 429 CD2 HIS A 29 -0.221 10.802 5.080 1.00 0.00 C flip ATOM 430 CE1 HIS A 29 -0.368 9.332 3.528 1.00 0.00 C flip ATOM 431 NE2 HIS A 29 0.460 10.148 4.156 1.00 0.00 N flip ATOM 0 H HIS A 29 -0.948 10.192 7.764 1.00 0.00 H new ATOM 0 HA HIS A 29 -3.860 10.344 7.593 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.487 11.157 5.399 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -2.235 11.892 6.381 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.462 8.963 3.784 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.190 11.539 5.754 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.101 8.666 2.721 1.00 0.00 H new ATOM 440 N LEU A 30 -2.283 7.671 6.996 1.00 0.00 N ATOM 441 CA LEU A 30 -2.380 6.282 6.560 1.00 0.00 C ATOM 442 C LEU A 30 -2.913 5.396 7.682 1.00 0.00 C ATOM 443 O LEU A 30 -3.642 4.435 7.434 1.00 0.00 O ATOM 444 CB LEU A 30 -1.013 5.774 6.100 1.00 0.00 C ATOM 445 CG LEU A 30 -0.547 6.256 4.725 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.839 5.713 4.411 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.540 5.841 3.650 1.00 0.00 C ATOM 0 H LEU A 30 -1.501 7.863 7.622 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.077 6.237 5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.269 6.072 6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.036 4.684 6.093 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.494 7.345 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.154 6.066 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.545 6.060 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.812 4.623 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.192 6.192 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.626 4.754 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.515 6.278 3.867 1.00 0.00 H new ATOM 459 N ARG A 31 -2.546 5.726 8.915 1.00 0.00 N ATOM 460 CA ARG A 31 -2.987 4.961 10.075 1.00 0.00 C ATOM 461 C ARG A 31 -4.475 4.635 9.977 1.00 0.00 C ATOM 462 O ARG A 31 -4.890 3.506 10.234 1.00 0.00 O ATOM 463 CB ARG A 31 -2.709 5.739 11.363 1.00 0.00 C ATOM 464 CG ARG A 31 -1.239 5.770 11.749 1.00 0.00 C ATOM 465 CD ARG A 31 -1.040 6.370 13.133 1.00 0.00 C ATOM 466 NE ARG A 31 -1.220 5.379 14.190 1.00 0.00 N ATOM 467 CZ ARG A 31 -0.378 4.375 14.408 1.00 0.00 C ATOM 468 NH1 ARG A 31 0.698 4.231 13.647 1.00 0.00 N ATOM 469 NH2 ARG A 31 -0.610 3.514 15.391 1.00 0.00 N ATOM 0 H ARG A 31 -1.944 6.519 9.137 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.427 4.026 10.096 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.067 6.762 11.244 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.281 5.294 12.177 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.835 4.758 11.728 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.681 6.352 11.015 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.039 6.797 13.203 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.746 7.188 13.279 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.037 5.462 14.794 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.881 4.892 12.892 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.343 3.459 13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.436 3.623 15.980 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.037 2.743 15.557 1.00 0.00 H new ATOM 483 N GLN A 32 -5.271 5.633 9.605 1.00 0.00 N ATOM 484 CA GLN A 32 -6.712 5.452 9.475 1.00 0.00 C ATOM 485 C GLN A 32 -7.086 5.079 8.044 1.00 0.00 C ATOM 486 O GLN A 32 -6.548 5.634 7.085 1.00 0.00 O ATOM 487 CB GLN A 32 -7.447 6.727 9.891 1.00 0.00 C ATOM 488 CG GLN A 32 -7.234 7.891 8.937 1.00 0.00 C ATOM 489 CD GLN A 32 -8.266 7.932 7.827 1.00 0.00 C ATOM 490 OE1 GLN A 32 -9.455 7.717 8.061 1.00 0.00 O ATOM 491 NE2 GLN A 32 -7.814 8.208 6.609 1.00 0.00 N ATOM 0 H GLN A 32 -4.943 6.574 9.389 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.012 4.637 10.134 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.514 6.515 9.960 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.115 7.019 10.887 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.270 8.826 9.496 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.238 7.820 8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.820 8.380 6.461 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.461 8.248 5.822 1.00 0.00 H new ATOM 500 N THR A 33 -8.012 4.135 7.906 1.00 0.00 N ATOM 501 CA THR A 33 -8.458 3.687 6.593 1.00 0.00 C ATOM 502 C THR A 33 -8.480 4.841 5.597 1.00 0.00 C ATOM 503 O THR A 33 -9.157 5.847 5.813 1.00 0.00 O ATOM 504 CB THR A 33 -9.861 3.055 6.661 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.874 1.995 7.623 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.279 2.518 5.301 1.00 0.00 C ATOM 0 H THR A 33 -8.468 3.666 8.689 1.00 0.00 H new ATOM 0 HA THR A 33 -7.745 2.934 6.257 1.00 0.00 H new ATOM 0 HB THR A 33 -10.569 3.827 6.962 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.770 1.599 7.662 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.273 2.077 5.374 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.296 3.333 4.578 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.568 1.759 4.975 1.00 0.00 H new ATOM 514 N TYR A 34 -7.739 4.689 4.506 1.00 0.00 N ATOM 515 CA TYR A 34 -7.672 5.720 3.477 1.00 0.00 C ATOM 516 C TYR A 34 -9.014 5.867 2.766 1.00 0.00 C ATOM 517 O TYR A 34 -9.471 4.951 2.082 1.00 0.00 O ATOM 518 CB TYR A 34 -6.579 5.386 2.461 1.00 0.00 C ATOM 519 CG TYR A 34 -5.978 6.604 1.796 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.463 7.650 2.553 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.925 6.710 0.412 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.914 8.765 1.950 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.377 7.821 -0.200 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.872 8.846 0.574 1.00 0.00 C ATOM 525 OH TYR A 34 -4.326 9.954 -0.031 1.00 0.00 O ATOM 0 H TYR A 34 -7.176 3.861 4.311 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.432 6.666 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.788 4.828 2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.995 4.732 1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.493 7.590 3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.319 5.910 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.520 9.569 2.553 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.344 7.887 -1.277 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.404 9.759 -0.300 1.00 0.00 H new ATOM 535 N ILE A 35 -9.641 7.027 2.934 1.00 0.00 N ATOM 536 CA ILE A 35 -10.929 7.296 2.308 1.00 0.00 C ATOM 537 C ILE A 35 -10.774 8.221 1.106 1.00 0.00 C ATOM 538 O ILE A 35 -10.325 9.359 1.239 1.00 0.00 O ATOM 539 CB ILE A 35 -11.918 7.930 3.305 1.00 0.00 C ATOM 540 CG1 ILE A 35 -11.910 7.158 4.625 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.319 7.964 2.712 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.489 5.765 4.513 1.00 0.00 C ATOM 0 H ILE A 35 -9.278 7.795 3.498 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.325 6.336 1.976 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.604 8.955 3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.885 7.089 4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.476 7.719 5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.006 8.415 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.312 8.554 1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.644 6.948 2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.451 5.276 5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.524 5.827 4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.909 5.187 3.794 1.00 0.00 H new ATOM 554 N ARG A 36 -11.150 7.724 -0.068 1.00 0.00 N ATOM 555 CA ARG A 36 -11.053 8.506 -1.295 1.00 0.00 C ATOM 556 C ARG A 36 -12.150 8.111 -2.280 1.00 0.00 C ATOM 557 O ARG A 36 -12.531 6.944 -2.366 1.00 0.00 O ATOM 558 CB ARG A 36 -9.680 8.313 -1.941 1.00 0.00 C ATOM 559 CG ARG A 36 -8.632 9.300 -1.451 1.00 0.00 C ATOM 560 CD ARG A 36 -8.616 10.562 -2.299 1.00 0.00 C ATOM 561 NE ARG A 36 -8.016 11.689 -1.590 1.00 0.00 N ATOM 562 CZ ARG A 36 -8.117 12.950 -1.996 1.00 0.00 C ATOM 563 NH1 ARG A 36 -8.791 13.243 -3.099 1.00 0.00 N ATOM 564 NH2 ARG A 36 -7.542 13.921 -1.297 1.00 0.00 N ATOM 0 H ARG A 36 -11.524 6.784 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.181 9.557 -1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.333 7.299 -1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.780 8.409 -3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.834 9.561 -0.412 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.649 8.831 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.061 10.374 -3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.635 10.817 -2.589 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.491 11.498 -0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.234 12.499 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.867 14.212 -3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.022 13.699 -0.448 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.620 14.889 -1.609 1.00 0.00 H new ATOM 578 N LYS A 37 -12.655 9.093 -3.020 1.00 0.00 N ATOM 579 CA LYS A 37 -13.707 8.849 -3.999 1.00 0.00 C ATOM 580 C LYS A 37 -13.139 8.204 -5.259 1.00 0.00 C ATOM 581 O LYS A 37 -11.936 8.265 -5.511 1.00 0.00 O ATOM 582 CB LYS A 37 -14.411 10.160 -4.358 1.00 0.00 C ATOM 583 CG LYS A 37 -15.100 10.823 -3.177 1.00 0.00 C ATOM 584 CD LYS A 37 -16.209 11.757 -3.632 1.00 0.00 C ATOM 585 CE LYS A 37 -15.658 13.108 -4.062 1.00 0.00 C ATOM 586 NZ LYS A 37 -16.739 14.032 -4.504 1.00 0.00 N ATOM 0 H LYS A 37 -12.352 10.065 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.430 8.164 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.681 10.852 -4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.149 9.965 -5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.514 10.058 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.368 11.382 -2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.751 11.303 -4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.925 11.896 -2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.112 13.558 -3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.945 12.968 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.323 14.942 -4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.244 13.614 -5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.406 14.186 -3.721 1.00 0.00 H new ATOM 600 N VAL A 38 -14.014 7.587 -6.048 1.00 0.00 N ATOM 601 CA VAL A 38 -13.599 6.932 -7.283 1.00 0.00 C ATOM 602 C VAL A 38 -13.281 7.956 -8.367 1.00 0.00 C ATOM 603 O VAL A 38 -13.798 9.072 -8.353 1.00 0.00 O ATOM 604 CB VAL A 38 -14.687 5.973 -7.802 1.00 0.00 C ATOM 605 CG1 VAL A 38 -15.206 5.094 -6.674 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.822 6.754 -8.446 1.00 0.00 C ATOM 0 H VAL A 38 -15.014 7.527 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.700 6.360 -7.052 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.246 5.326 -8.560 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.974 4.423 -7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.385 4.507 -6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.632 5.721 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.582 6.061 -8.807 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.264 7.426 -7.711 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.435 7.336 -9.283 1.00 0.00 H new ATOM 616 N GLY A 39 -12.426 7.567 -9.308 1.00 0.00 N ATOM 617 CA GLY A 39 -12.053 8.462 -10.388 1.00 0.00 C ATOM 618 C GLY A 39 -10.952 9.425 -9.989 1.00 0.00 C ATOM 619 O GLY A 39 -10.100 9.775 -10.804 1.00 0.00 O ATOM 0 H GLY A 39 -11.985 6.648 -9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.725 7.875 -11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.929 9.028 -10.706 1.00 0.00 H new ATOM 623 N GLU A 40 -10.972 9.856 -8.731 1.00 0.00 N ATOM 624 CA GLU A 40 -9.968 10.786 -8.227 1.00 0.00 C ATOM 625 C GLU A 40 -8.574 10.171 -8.294 1.00 0.00 C ATOM 626 O GLU A 40 -8.421 8.985 -8.583 1.00 0.00 O ATOM 627 CB GLU A 40 -10.292 11.189 -6.787 1.00 0.00 C ATOM 628 CG GLU A 40 -11.243 12.370 -6.684 1.00 0.00 C ATOM 629 CD GLU A 40 -10.543 13.701 -6.879 1.00 0.00 C ATOM 630 OE1 GLU A 40 -10.016 13.937 -7.986 1.00 0.00 O ATOM 631 OE2 GLU A 40 -10.522 14.506 -5.925 1.00 0.00 O ATOM 0 H GLU A 40 -11.672 9.576 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.984 11.675 -8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.729 10.335 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.364 11.434 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.030 12.265 -7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.727 12.358 -5.707 1.00 0.00 H new ATOM 638 N GLN A 41 -7.560 10.987 -8.025 1.00 0.00 N ATOM 639 CA GLN A 41 -6.178 10.524 -8.056 1.00 0.00 C ATOM 640 C GLN A 41 -5.700 10.144 -6.658 1.00 0.00 C ATOM 641 O GLN A 41 -6.020 10.816 -5.677 1.00 0.00 O ATOM 642 CB GLN A 41 -5.268 11.604 -8.643 1.00 0.00 C ATOM 643 CG GLN A 41 -5.347 11.709 -10.157 1.00 0.00 C ATOM 644 CD GLN A 41 -4.672 12.957 -10.692 1.00 0.00 C ATOM 645 OE1 GLN A 41 -3.835 13.561 -10.019 1.00 0.00 O ATOM 646 NE2 GLN A 41 -5.032 13.351 -11.908 1.00 0.00 N ATOM 0 H GLN A 41 -7.670 11.972 -7.783 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.133 9.638 -8.689 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.532 12.567 -8.206 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.238 11.395 -8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.882 10.830 -10.603 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.393 11.707 -10.463 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.729 12.821 -12.430 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.611 14.184 -12.320 1.00 0.00 H new ATOM 655 N LEU A 42 -4.932 9.063 -6.574 1.00 0.00 N ATOM 656 CA LEU A 42 -4.410 8.593 -5.296 1.00 0.00 C ATOM 657 C LEU A 42 -2.986 9.092 -5.073 1.00 0.00 C ATOM 658 O LEU A 42 -2.222 9.263 -6.022 1.00 0.00 O ATOM 659 CB LEU A 42 -4.441 7.064 -5.241 1.00 0.00 C ATOM 660 CG LEU A 42 -5.816 6.428 -5.037 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.775 4.947 -5.380 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.291 6.632 -3.605 1.00 0.00 C ATOM 0 H LEU A 42 -4.657 8.496 -7.376 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.044 8.992 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.018 6.678 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.788 6.736 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.524 6.916 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.763 4.511 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.479 4.823 -6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.054 4.444 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.271 6.173 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.582 6.171 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.360 7.699 -3.393 1.00 0.00 H new ATOM 674 N ASN A 43 -2.636 9.323 -3.812 1.00 0.00 N ATOM 675 CA ASN A 43 -1.303 9.801 -3.463 1.00 0.00 C ATOM 676 C ASN A 43 -0.875 9.272 -2.098 1.00 0.00 C ATOM 677 O ASN A 43 -1.407 9.683 -1.066 1.00 0.00 O ATOM 678 CB ASN A 43 -1.271 11.330 -3.463 1.00 0.00 C ATOM 679 CG ASN A 43 -1.959 11.923 -2.248 1.00 0.00 C ATOM 680 OD1 ASN A 43 -3.187 11.978 -2.182 1.00 0.00 O ATOM 681 ND2 ASN A 43 -1.168 12.370 -1.280 1.00 0.00 N ATOM 0 H ASN A 43 -3.257 9.187 -3.014 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.604 9.430 -4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.235 11.669 -3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.753 11.701 -4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.573 12.780 -0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.155 12.304 -1.378 1.00 0.00 H new ATOM 688 N LEU A 44 0.090 8.359 -2.100 1.00 0.00 N ATOM 689 CA LEU A 44 0.592 7.774 -0.861 1.00 0.00 C ATOM 690 C LEU A 44 2.115 7.842 -0.804 1.00 0.00 C ATOM 691 O LEU A 44 2.806 7.123 -1.526 1.00 0.00 O ATOM 692 CB LEU A 44 0.130 6.321 -0.737 1.00 0.00 C ATOM 693 CG LEU A 44 -1.381 6.091 -0.785 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.691 4.609 -0.928 1.00 0.00 C ATOM 695 CD2 LEU A 44 -2.048 6.660 0.459 1.00 0.00 C ATOM 0 H LEU A 44 0.540 8.008 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 44 0.190 8.350 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.591 5.744 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.509 5.919 0.203 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.780 6.611 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.771 4.465 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.247 4.232 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.278 4.067 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.123 6.487 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.644 6.170 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.855 7.731 0.517 1.00 0.00 H new ATOM 707 N VAL A 45 2.631 8.709 0.061 1.00 0.00 N ATOM 708 CA VAL A 45 4.072 8.868 0.215 1.00 0.00 C ATOM 709 C VAL A 45 4.542 8.340 1.566 1.00 0.00 C ATOM 710 O VAL A 45 4.516 9.055 2.568 1.00 0.00 O ATOM 711 CB VAL A 45 4.492 10.344 0.079 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.982 10.502 0.341 1.00 0.00 C ATOM 713 CG2 VAL A 45 4.124 10.877 -1.297 1.00 0.00 C ATOM 0 H VAL A 45 2.073 9.312 0.666 1.00 0.00 H new ATOM 0 HA VAL A 45 4.541 8.290 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 45 3.953 10.928 0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.260 11.551 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.212 10.161 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.543 9.907 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.428 11.921 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.634 10.292 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.046 10.801 -1.440 1.00 0.00 H new ATOM 723 N VAL A 46 4.973 7.083 1.586 1.00 0.00 N ATOM 724 CA VAL A 46 5.451 6.458 2.814 1.00 0.00 C ATOM 725 C VAL A 46 6.974 6.469 2.879 1.00 0.00 C ATOM 726 O VAL A 46 7.653 5.662 2.244 1.00 0.00 O ATOM 727 CB VAL A 46 4.953 5.005 2.935 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.034 4.532 4.378 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.533 4.883 2.404 1.00 0.00 C ATOM 0 H VAL A 46 5.001 6.477 0.766 1.00 0.00 H new ATOM 0 HA VAL A 46 5.051 7.041 3.643 1.00 0.00 H new ATOM 0 HB VAL A 46 5.598 4.366 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.678 3.504 4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.068 4.581 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.414 5.172 5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.197 3.850 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.873 5.532 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.510 5.179 1.355 1.00 0.00 H new ATOM 739 N PRO A 47 7.526 7.405 3.666 1.00 0.00 N ATOM 740 CA PRO A 47 8.975 7.543 3.835 1.00 0.00 C ATOM 741 C PRO A 47 9.581 6.386 4.621 1.00 0.00 C ATOM 742 O PRO A 47 8.877 5.671 5.335 1.00 0.00 O ATOM 743 CB PRO A 47 9.118 8.852 4.615 1.00 0.00 C ATOM 744 CG PRO A 47 7.827 9.002 5.344 1.00 0.00 C ATOM 745 CD PRO A 47 6.777 8.399 4.452 1.00 0.00 C ATOM 0 HA PRO A 47 9.498 7.541 2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.960 8.811 5.306 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.295 9.694 3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.861 8.492 6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.612 10.051 5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.978 7.935 5.030 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.313 9.150 3.813 1.00 0.00 H new ATOM 753 N PHE A 48 10.890 6.205 4.485 1.00 0.00 N ATOM 754 CA PHE A 48 11.591 5.133 5.183 1.00 0.00 C ATOM 755 C PHE A 48 13.061 5.487 5.387 1.00 0.00 C ATOM 756 O PHE A 48 13.620 6.303 4.656 1.00 0.00 O ATOM 757 CB PHE A 48 11.473 3.824 4.400 1.00 0.00 C ATOM 758 CG PHE A 48 11.970 3.924 2.986 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.302 4.202 2.724 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.106 3.740 1.919 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.762 4.296 1.425 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.560 3.832 0.617 1.00 0.00 C ATOM 763 CZ PHE A 48 12.891 4.110 0.369 1.00 0.00 C ATOM 0 H PHE A 48 11.487 6.787 3.898 1.00 0.00 H new ATOM 0 HA PHE A 48 11.128 5.006 6.161 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.034 3.047 4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.429 3.510 4.388 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.988 4.347 3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.065 3.522 2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.802 4.515 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.876 3.687 -0.206 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.249 4.182 -0.647 1.00 0.00 H new ATOM 773 N GLN A 49 13.680 4.866 6.386 1.00 0.00 N ATOM 774 CA GLN A 49 15.084 5.115 6.687 1.00 0.00 C ATOM 775 C GLN A 49 15.930 3.879 6.402 1.00 0.00 C ATOM 776 O GLN A 49 15.403 2.812 6.089 1.00 0.00 O ATOM 777 CB GLN A 49 15.248 5.534 8.149 1.00 0.00 C ATOM 778 CG GLN A 49 14.875 6.983 8.412 1.00 0.00 C ATOM 779 CD GLN A 49 15.928 7.956 7.919 1.00 0.00 C ATOM 780 OE1 GLN A 49 16.472 7.798 6.826 1.00 0.00 O ATOM 781 NE2 GLN A 49 16.220 8.971 8.724 1.00 0.00 N ATOM 0 H GLN A 49 13.231 4.187 7.000 1.00 0.00 H new ATOM 0 HA GLN A 49 15.429 5.925 6.044 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.630 4.889 8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.283 5.374 8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.925 7.204 7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.725 7.127 9.482 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.744 9.063 9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.920 9.658 8.445 1.00 0.00 H new ATOM 790 N GLY A 50 17.247 4.030 6.511 1.00 0.00 N ATOM 791 CA GLY A 50 18.145 2.918 6.261 1.00 0.00 C ATOM 792 C GLY A 50 19.297 3.296 5.350 1.00 0.00 C ATOM 793 O GLY A 50 19.254 4.325 4.676 1.00 0.00 O ATOM 0 H GLY A 50 17.708 4.903 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.540 2.554 7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.586 2.097 5.813 1.00 0.00 H new ATOM 797 N LYS A 51 20.331 2.462 5.331 1.00 0.00 N ATOM 798 CA LYS A 51 21.501 2.713 4.497 1.00 0.00 C ATOM 799 C LYS A 51 22.284 1.427 4.258 1.00 0.00 C ATOM 800 O LYS A 51 22.157 0.448 4.993 1.00 0.00 O ATOM 801 CB LYS A 51 22.405 3.759 5.153 1.00 0.00 C ATOM 802 CG LYS A 51 22.069 5.187 4.760 1.00 0.00 C ATOM 803 CD LYS A 51 23.263 6.110 4.934 1.00 0.00 C ATOM 804 CE LYS A 51 23.545 6.385 6.404 1.00 0.00 C ATOM 805 NZ LYS A 51 22.627 7.417 6.961 1.00 0.00 N ATOM 0 H LYS A 51 20.383 1.606 5.884 1.00 0.00 H new ATOM 0 HA LYS A 51 21.156 3.092 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.331 3.662 6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.441 3.551 4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.738 5.211 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.239 5.547 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.142 5.661 4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.076 7.051 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 51 23.441 5.461 6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.577 6.716 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 22.851 7.576 7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.744 8.306 6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 21.644 7.090 6.874 1.00 0.00 H new ATOM 819 N PRO A 52 23.117 1.427 3.206 1.00 0.00 N ATOM 820 CA PRO A 52 23.277 2.586 2.323 1.00 0.00 C ATOM 821 C PRO A 52 22.040 2.840 1.469 1.00 0.00 C ATOM 822 O PRO A 52 21.543 3.964 1.397 1.00 0.00 O ATOM 823 CB PRO A 52 24.466 2.199 1.441 1.00 0.00 C ATOM 824 CG PRO A 52 24.469 0.709 1.442 1.00 0.00 C ATOM 825 CD PRO A 52 23.965 0.295 2.797 1.00 0.00 C ATOM 0 HA PRO A 52 23.428 3.508 2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.355 2.594 0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.400 2.597 1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.829 0.317 0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.472 0.321 1.263 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.398 -0.635 2.748 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.784 0.132 3.498 1.00 0.00 H new ATOM 833 N ARG A 53 21.547 1.788 0.823 1.00 0.00 N ATOM 834 CA ARG A 53 20.367 1.898 -0.027 1.00 0.00 C ATOM 835 C ARG A 53 19.387 0.762 0.254 1.00 0.00 C ATOM 836 O ARG A 53 19.506 -0.340 -0.280 1.00 0.00 O ATOM 837 CB ARG A 53 20.773 1.882 -1.502 1.00 0.00 C ATOM 838 CG ARG A 53 21.051 3.264 -2.072 1.00 0.00 C ATOM 839 CD ARG A 53 21.552 3.184 -3.505 1.00 0.00 C ATOM 840 NE ARG A 53 22.788 2.414 -3.611 1.00 0.00 N ATOM 841 CZ ARG A 53 22.822 1.091 -3.727 1.00 0.00 C ATOM 842 NH1 ARG A 53 21.693 0.395 -3.752 1.00 0.00 N ATOM 843 NH2 ARG A 53 23.986 0.462 -3.819 1.00 0.00 N ATOM 0 H ARG A 53 21.946 0.851 0.872 1.00 0.00 H new ATOM 0 HA ARG A 53 19.874 2.844 0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.664 1.264 -1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 53 19.980 1.411 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 53 20.141 3.863 -2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 53 21.792 3.772 -1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.786 2.728 -4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 53 21.718 4.191 -3.887 1.00 0.00 H new ATOM 0 HE ARG A 53 23.674 2.919 -3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.796 0.876 -3.682 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.722 -0.621 -3.841 1.00 0.00 H new ATOM 0 HH21 ARG A 53 24.856 0.994 -3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 53 24.011 -0.554 -3.908 1.00 0.00 H new ATOM 857 N PRO A 54 18.394 1.037 1.114 1.00 0.00 N ATOM 858 CA PRO A 54 17.374 0.052 1.485 1.00 0.00 C ATOM 859 C PRO A 54 16.424 -0.261 0.335 1.00 0.00 C ATOM 860 O PRO A 54 15.803 0.639 -0.231 1.00 0.00 O ATOM 861 CB PRO A 54 16.622 0.735 2.630 1.00 0.00 C ATOM 862 CG PRO A 54 16.824 2.193 2.399 1.00 0.00 C ATOM 863 CD PRO A 54 18.191 2.330 1.788 1.00 0.00 C ATOM 0 HA PRO A 54 17.814 -0.907 1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.563 0.475 2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.015 0.430 3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.058 2.593 1.735 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.757 2.749 3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.235 3.161 1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.953 2.513 2.545 1.00 0.00 H new ATOM 871 N GLN A 55 16.315 -1.541 -0.006 1.00 0.00 N ATOM 872 CA GLN A 55 15.440 -1.971 -1.090 1.00 0.00 C ATOM 873 C GLN A 55 13.975 -1.875 -0.677 1.00 0.00 C ATOM 874 O GLN A 55 13.614 -2.211 0.451 1.00 0.00 O ATOM 875 CB GLN A 55 15.773 -3.405 -1.505 1.00 0.00 C ATOM 876 CG GLN A 55 15.082 -3.844 -2.786 1.00 0.00 C ATOM 877 CD GLN A 55 15.781 -3.331 -4.030 1.00 0.00 C ATOM 878 OE1 GLN A 55 16.927 -2.884 -3.973 1.00 0.00 O ATOM 879 NE2 GLN A 55 15.093 -3.394 -5.164 1.00 0.00 N ATOM 0 H GLN A 55 16.822 -2.298 0.453 1.00 0.00 H new ATOM 0 HA GLN A 55 15.603 -1.308 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.851 -3.496 -1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.491 -4.082 -0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.043 -4.933 -2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.052 -3.488 -2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.146 -3.772 -5.165 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.512 -3.064 -6.034 1.00 0.00 H new ATOM 888 N VAL A 56 13.134 -1.415 -1.598 1.00 0.00 N ATOM 889 CA VAL A 56 11.708 -1.276 -1.330 1.00 0.00 C ATOM 890 C VAL A 56 10.902 -2.333 -2.077 1.00 0.00 C ATOM 891 O VAL A 56 11.223 -2.687 -3.211 1.00 0.00 O ATOM 892 CB VAL A 56 11.195 0.121 -1.729 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.688 0.209 -1.548 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.901 1.199 -0.920 1.00 0.00 C ATOM 0 H VAL A 56 13.416 -1.132 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 56 11.574 -1.412 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 56 11.420 0.284 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.345 1.203 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.202 -0.538 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.436 0.025 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.526 2.179 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.709 1.042 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.974 1.150 -1.106 1.00 0.00 H new ATOM 904 N VAL A 57 9.853 -2.834 -1.433 1.00 0.00 N ATOM 905 CA VAL A 57 9.000 -3.851 -2.036 1.00 0.00 C ATOM 906 C VAL A 57 7.526 -3.483 -1.899 1.00 0.00 C ATOM 907 O VAL A 57 7.039 -3.232 -0.797 1.00 0.00 O ATOM 908 CB VAL A 57 9.235 -5.232 -1.397 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.267 -6.257 -1.969 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.676 -5.675 -1.603 1.00 0.00 C ATOM 0 H VAL A 57 9.573 -2.552 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 57 9.263 -3.899 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 57 9.052 -5.153 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.448 -7.227 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.243 -5.943 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.415 -6.336 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.825 -6.653 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.888 -5.738 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.348 -4.952 -1.141 1.00 0.00 H new ATOM 920 N TRP A 58 6.822 -3.455 -3.024 1.00 0.00 N ATOM 921 CA TRP A 58 5.403 -3.119 -3.030 1.00 0.00 C ATOM 922 C TRP A 58 4.559 -4.328 -3.417 1.00 0.00 C ATOM 923 O TRP A 58 4.712 -4.882 -4.507 1.00 0.00 O ATOM 924 CB TRP A 58 5.135 -1.964 -3.995 1.00 0.00 C ATOM 925 CG TRP A 58 5.386 -0.615 -3.392 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.467 0.191 -3.607 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.538 0.084 -2.473 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.343 1.348 -2.877 1.00 0.00 N ATOM 929 CE2 TRP A 58 5.168 1.308 -2.174 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.308 -0.204 -1.876 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.609 2.239 -1.303 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.754 0.721 -1.012 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.403 1.931 -0.733 1.00 0.00 C ATOM 0 H TRP A 58 7.210 -3.661 -3.944 1.00 0.00 H new ATOM 0 HA TRP A 58 5.124 -2.812 -2.022 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.765 -2.083 -4.876 1.00 0.00 H new ATOM 0 HB3 TRP A 58 4.100 -2.016 -4.334 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.297 -0.046 -4.256 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.017 2.113 -2.861 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.799 -1.133 -2.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.109 3.171 -1.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.804 0.508 -0.544 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.943 2.635 -0.055 1.00 0.00 H new ATOM 944 N THR A 59 3.666 -4.734 -2.519 1.00 0.00 N ATOM 945 CA THR A 59 2.798 -5.878 -2.768 1.00 0.00 C ATOM 946 C THR A 59 1.387 -5.620 -2.252 1.00 0.00 C ATOM 947 O THR A 59 1.203 -5.109 -1.147 1.00 0.00 O ATOM 948 CB THR A 59 3.349 -7.155 -2.106 1.00 0.00 C ATOM 949 OG1 THR A 59 3.685 -6.893 -0.739 1.00 0.00 O ATOM 950 CG2 THR A 59 4.577 -7.662 -2.846 1.00 0.00 C ATOM 0 H THR A 59 3.525 -4.287 -1.613 1.00 0.00 H new ATOM 0 HA THR A 59 2.766 -6.022 -3.848 1.00 0.00 H new ATOM 0 HB THR A 59 2.576 -7.922 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.033 -7.710 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.948 -8.564 -2.360 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.312 -7.889 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.353 -6.897 -2.831 1.00 0.00 H new ATOM 958 N LYS A 60 0.393 -5.977 -3.058 1.00 0.00 N ATOM 959 CA LYS A 60 -1.003 -5.786 -2.682 1.00 0.00 C ATOM 960 C LYS A 60 -1.690 -7.127 -2.444 1.00 0.00 C ATOM 961 O LYS A 60 -2.434 -7.614 -3.294 1.00 0.00 O ATOM 962 CB LYS A 60 -1.744 -5.008 -3.772 1.00 0.00 C ATOM 963 CG LYS A 60 -3.131 -4.550 -3.356 1.00 0.00 C ATOM 964 CD LYS A 60 -3.930 -4.042 -4.545 1.00 0.00 C ATOM 965 CE LYS A 60 -5.424 -4.226 -4.330 1.00 0.00 C ATOM 966 NZ LYS A 60 -6.201 -3.942 -5.569 1.00 0.00 N ATOM 0 H LYS A 60 0.528 -6.400 -3.976 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.029 -5.214 -1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.151 -4.137 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.828 -5.634 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.663 -5.377 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.046 -3.760 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.712 -2.987 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.622 -4.573 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.621 -5.247 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.760 -3.565 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.923 -3.221 -5.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.559 -3.592 -6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.664 -4.814 -5.896 1.00 0.00 H new ATOM 980 N GLY A 61 -1.437 -7.718 -1.280 1.00 0.00 N ATOM 981 CA GLY A 61 -2.040 -8.996 -0.950 1.00 0.00 C ATOM 982 C GLY A 61 -1.163 -10.169 -1.340 1.00 0.00 C ATOM 983 O GLY A 61 -1.642 -11.148 -1.910 1.00 0.00 O ATOM 0 H GLY A 61 -0.825 -7.334 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.238 -9.035 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.002 -9.082 -1.455 1.00 0.00 H new ATOM 987 N GLY A 62 0.127 -10.069 -1.034 1.00 0.00 N ATOM 988 CA GLY A 62 1.052 -11.137 -1.366 1.00 0.00 C ATOM 989 C GLY A 62 1.245 -11.293 -2.861 1.00 0.00 C ATOM 990 O GLY A 62 1.239 -12.408 -3.381 1.00 0.00 O ATOM 0 H GLY A 62 0.548 -9.268 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.016 -10.938 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.683 -12.075 -0.951 1.00 0.00 H new ATOM 994 N ALA A 63 1.415 -10.172 -3.554 1.00 0.00 N ATOM 995 CA ALA A 63 1.611 -10.190 -4.999 1.00 0.00 C ATOM 996 C ALA A 63 2.039 -8.818 -5.511 1.00 0.00 C ATOM 997 O ALA A 63 1.652 -7.780 -4.975 1.00 0.00 O ATOM 998 CB ALA A 63 0.339 -10.644 -5.698 1.00 0.00 C ATOM 0 H ALA A 63 1.421 -9.240 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 63 2.408 -10.898 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.500 -10.653 -6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.077 -11.647 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.473 -9.958 -5.458 1.00 0.00 H new ATOM 1004 N PRO A 64 2.856 -8.812 -6.575 1.00 0.00 N ATOM 1005 CA PRO A 64 3.354 -7.575 -7.183 1.00 0.00 C ATOM 1006 C PRO A 64 2.255 -6.798 -7.900 1.00 0.00 C ATOM 1007 O PRO A 64 1.241 -7.368 -8.305 1.00 0.00 O ATOM 1008 CB PRO A 64 4.401 -8.068 -8.185 1.00 0.00 C ATOM 1009 CG PRO A 64 3.982 -9.459 -8.516 1.00 0.00 C ATOM 1010 CD PRO A 64 3.357 -10.012 -7.266 1.00 0.00 C ATOM 0 HA PRO A 64 3.749 -6.885 -6.437 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.424 -7.439 -9.075 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.402 -8.048 -7.754 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.272 -9.466 -9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.837 -10.061 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.551 -10.710 -7.494 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.083 -10.552 -6.658 1.00 0.00 H new ATOM 1018 N LEU A 65 2.462 -5.495 -8.054 1.00 0.00 N ATOM 1019 CA LEU A 65 1.488 -4.640 -8.724 1.00 0.00 C ATOM 1020 C LEU A 65 1.462 -4.915 -10.224 1.00 0.00 C ATOM 1021 O LEU A 65 2.424 -5.438 -10.786 1.00 0.00 O ATOM 1022 CB LEU A 65 1.814 -3.167 -8.470 1.00 0.00 C ATOM 1023 CG LEU A 65 1.886 -2.739 -7.004 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.538 -1.370 -6.878 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.497 -2.728 -6.382 1.00 0.00 C ATOM 0 H LEU A 65 3.295 -5.007 -7.724 1.00 0.00 H new ATOM 0 HA LEU A 65 0.503 -4.864 -8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.770 -2.941 -8.941 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.061 -2.557 -8.969 1.00 0.00 H new ATOM 0 HG LEU A 65 2.498 -3.462 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.580 -1.082 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.549 -1.410 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.953 -0.636 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.568 -2.421 -5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.139 -2.028 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.066 -3.727 -6.438 1.00 0.00 H new ATOM 1037 N ASP A 66 0.356 -4.557 -10.867 1.00 0.00 N ATOM 1038 CA ASP A 66 0.206 -4.762 -12.303 1.00 0.00 C ATOM 1039 C ASP A 66 1.304 -4.036 -13.073 1.00 0.00 C ATOM 1040 O ASP A 66 1.689 -4.451 -14.167 1.00 0.00 O ATOM 1041 CB ASP A 66 -1.168 -4.276 -12.768 1.00 0.00 C ATOM 1042 CG ASP A 66 -2.283 -5.223 -12.370 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -2.518 -5.384 -11.154 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -2.920 -5.803 -13.274 1.00 0.00 O ATOM 0 H ASP A 66 -0.450 -4.123 -10.417 1.00 0.00 H new ATOM 0 HA ASP A 66 0.292 -5.830 -12.504 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.364 -3.291 -12.345 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.162 -4.162 -13.852 1.00 0.00 H new ATOM 1049 N THR A 67 1.805 -2.948 -12.496 1.00 0.00 N ATOM 1050 CA THR A 67 2.857 -2.163 -13.129 1.00 0.00 C ATOM 1051 C THR A 67 2.524 -1.873 -14.588 1.00 0.00 C ATOM 1052 O THR A 67 3.392 -1.942 -15.458 1.00 0.00 O ATOM 1053 CB THR A 67 4.216 -2.885 -13.058 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.158 -4.113 -13.791 1.00 0.00 O ATOM 1055 CG2 THR A 67 4.604 -3.167 -11.615 1.00 0.00 C ATOM 0 H THR A 67 1.499 -2.591 -11.591 1.00 0.00 H new ATOM 0 HA THR A 67 2.924 -1.223 -12.581 1.00 0.00 H new ATOM 0 HB THR A 67 4.971 -2.235 -13.500 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.318 -4.154 -14.294 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.567 -3.677 -11.590 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.677 -2.227 -11.068 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.847 -3.799 -11.151 1.00 0.00 H new ATOM 1063 N SER A 68 1.262 -1.548 -14.849 1.00 0.00 N ATOM 1064 CA SER A 68 0.814 -1.250 -16.204 1.00 0.00 C ATOM 1065 C SER A 68 0.000 0.040 -16.236 1.00 0.00 C ATOM 1066 O SER A 68 0.115 0.838 -17.166 1.00 0.00 O ATOM 1067 CB SER A 68 -0.021 -2.407 -16.754 1.00 0.00 C ATOM 1068 OG SER A 68 -0.353 -2.195 -18.115 1.00 0.00 O ATOM 0 H SER A 68 0.532 -1.484 -14.140 1.00 0.00 H new ATOM 0 HA SER A 68 1.696 -1.118 -16.831 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.534 -3.340 -16.653 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.933 -2.513 -16.166 1.00 0.00 H new ATOM 0 HG SER A 68 -0.885 -2.949 -18.443 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.825 0.237 -15.212 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.660 1.429 -15.122 1.00 0.00 C ATOM 1076 C ARG A 69 -1.296 2.256 -13.893 1.00 0.00 C ATOM 1077 O ARG A 69 -1.620 3.441 -13.811 1.00 0.00 O ATOM 1078 CB ARG A 69 -3.138 1.038 -15.068 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.558 0.424 -13.742 1.00 0.00 C ATOM 1080 CD ARG A 69 -4.818 -0.414 -13.891 1.00 0.00 C ATOM 1081 NE ARG A 69 -5.458 -0.673 -12.604 1.00 0.00 N ATOM 1082 CZ ARG A 69 -6.746 -0.968 -12.470 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -7.527 -1.044 -13.539 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -7.256 -1.190 -11.265 1.00 0.00 N ATOM 0 H ARG A 69 -0.933 -0.413 -14.434 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.483 2.035 -16.011 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.746 1.922 -15.258 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.347 0.329 -15.869 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.750 -0.197 -13.355 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.730 1.215 -13.012 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.520 0.100 -14.548 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.569 -1.361 -14.369 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.884 -0.625 -11.762 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.139 -0.876 -14.467 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.516 -1.271 -13.433 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.659 -1.134 -10.440 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.245 -1.416 -11.164 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.621 1.623 -12.938 1.00 0.00 N ATOM 1099 CA VAL A 70 -0.213 2.300 -11.713 1.00 0.00 C ATOM 1100 C VAL A 70 1.159 2.946 -11.873 1.00 0.00 C ATOM 1101 O VAL A 70 2.072 2.354 -12.450 1.00 0.00 O ATOM 1102 CB VAL A 70 -0.174 1.327 -10.520 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.310 2.039 -9.266 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.544 0.706 -10.295 1.00 0.00 C ATOM 0 H VAL A 70 -0.345 0.642 -12.990 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.955 3.074 -11.517 1.00 0.00 H new ATOM 0 HB VAL A 70 0.530 0.527 -10.749 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.331 1.336 -8.433 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.313 2.432 -9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.366 2.860 -9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.498 0.021 -9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.270 1.492 -10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.847 0.159 -11.188 1.00 0.00 H new ATOM 1114 N HIS A 71 1.298 4.163 -11.358 1.00 0.00 N ATOM 1115 CA HIS A 71 2.560 4.890 -11.443 1.00 0.00 C ATOM 1116 C HIS A 71 3.126 5.160 -10.052 1.00 0.00 C ATOM 1117 O HIS A 71 2.600 5.986 -9.306 1.00 0.00 O ATOM 1118 CB HIS A 71 2.364 6.209 -12.191 1.00 0.00 C ATOM 1119 CG HIS A 71 1.869 6.033 -13.594 1.00 0.00 C ATOM 1120 ND1 HIS A 71 2.641 6.302 -14.704 1.00 0.00 N ATOM 1121 CD2 HIS A 71 0.672 5.612 -14.064 1.00 0.00 C ATOM 1122 CE1 HIS A 71 1.940 6.055 -15.796 1.00 0.00 C ATOM 1123 NE2 HIS A 71 0.741 5.635 -15.435 1.00 0.00 N ATOM 0 H HIS A 71 0.553 4.667 -10.877 1.00 0.00 H new ATOM 0 HA HIS A 71 3.271 4.272 -11.992 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.657 6.828 -11.640 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.311 6.749 -12.213 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.180 5.313 -13.471 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.288 6.176 -16.811 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.011 5.371 -16.071 1.00 0.00 H new ATOM 1132 N VAL A 72 4.201 4.457 -9.709 1.00 0.00 N ATOM 1133 CA VAL A 72 4.838 4.621 -8.408 1.00 0.00 C ATOM 1134 C VAL A 72 6.328 4.907 -8.558 1.00 0.00 C ATOM 1135 O VAL A 72 7.090 4.057 -9.019 1.00 0.00 O ATOM 1136 CB VAL A 72 4.653 3.369 -7.530 1.00 0.00 C ATOM 1137 CG1 VAL A 72 5.160 2.130 -8.253 1.00 0.00 C ATOM 1138 CG2 VAL A 72 5.361 3.545 -6.195 1.00 0.00 C ATOM 0 H VAL A 72 4.649 3.769 -10.314 1.00 0.00 H new ATOM 0 HA VAL A 72 4.355 5.470 -7.924 1.00 0.00 H new ATOM 0 HB VAL A 72 3.589 3.237 -7.336 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.021 1.255 -7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.603 1.997 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.219 2.249 -8.480 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.220 2.651 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.426 3.703 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.945 4.407 -5.674 1.00 0.00 H new ATOM 1148 N ARG A 73 6.737 6.109 -8.166 1.00 0.00 N ATOM 1149 CA ARG A 73 8.137 6.507 -8.257 1.00 0.00 C ATOM 1150 C ARG A 73 8.857 6.270 -6.933 1.00 0.00 C ATOM 1151 O ARG A 73 8.710 7.044 -5.986 1.00 0.00 O ATOM 1152 CB ARG A 73 8.244 7.981 -8.652 1.00 0.00 C ATOM 1153 CG ARG A 73 9.523 8.319 -9.401 1.00 0.00 C ATOM 1154 CD ARG A 73 9.420 7.950 -10.873 1.00 0.00 C ATOM 1155 NE ARG A 73 9.685 6.532 -11.101 1.00 0.00 N ATOM 1156 CZ ARG A 73 9.354 5.893 -12.218 1.00 0.00 C ATOM 1157 NH1 ARG A 73 8.749 6.543 -13.203 1.00 0.00 N ATOM 1158 NH2 ARG A 73 9.628 4.602 -12.351 1.00 0.00 N ATOM 0 H ARG A 73 6.119 6.824 -7.782 1.00 0.00 H new ATOM 0 HA ARG A 73 8.614 5.896 -9.024 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.388 8.245 -9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.186 8.595 -7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.731 9.385 -9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.361 7.789 -8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.423 8.196 -11.240 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.128 8.548 -11.447 1.00 0.00 H new ATOM 0 HE ARG A 73 10.149 6.003 -10.363 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.537 7.536 -13.104 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.496 6.050 -14.059 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.093 4.099 -11.595 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.373 4.112 -13.209 1.00 0.00 H new ATOM 1172 N THR A 74 9.637 5.195 -6.873 1.00 0.00 N ATOM 1173 CA THR A 74 10.378 4.855 -5.666 1.00 0.00 C ATOM 1174 C THR A 74 11.739 5.542 -5.645 1.00 0.00 C ATOM 1175 O THR A 74 12.510 5.443 -6.599 1.00 0.00 O ATOM 1176 CB THR A 74 10.583 3.333 -5.542 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.341 2.653 -5.758 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.134 2.971 -4.171 1.00 0.00 C ATOM 0 H THR A 74 9.771 4.545 -7.647 1.00 0.00 H new ATOM 0 HA THR A 74 9.784 5.204 -4.822 1.00 0.00 H new ATOM 0 HB THR A 74 11.303 3.022 -6.299 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.479 1.686 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.270 1.891 -4.107 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.093 3.467 -4.022 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.434 3.294 -3.401 1.00 0.00 H new ATOM 1186 N SER A 75 12.028 6.238 -4.550 1.00 0.00 N ATOM 1187 CA SER A 75 13.295 6.945 -4.406 1.00 0.00 C ATOM 1188 C SER A 75 14.127 6.344 -3.277 1.00 0.00 C ATOM 1189 O SER A 75 13.589 5.743 -2.347 1.00 0.00 O ATOM 1190 CB SER A 75 13.047 8.431 -4.137 1.00 0.00 C ATOM 1191 OG SER A 75 12.953 9.160 -5.349 1.00 0.00 O ATOM 0 H SER A 75 11.402 6.327 -3.750 1.00 0.00 H new ATOM 0 HA SER A 75 13.849 6.840 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.128 8.552 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.857 8.834 -3.529 1.00 0.00 H new ATOM 0 HG SER A 75 12.793 10.106 -5.150 1.00 0.00 H new ATOM 1197 N ASP A 76 15.442 6.511 -3.367 1.00 0.00 N ATOM 1198 CA ASP A 76 16.350 5.986 -2.353 1.00 0.00 C ATOM 1199 C ASP A 76 16.084 6.634 -0.998 1.00 0.00 C ATOM 1200 O ASP A 76 16.645 6.224 0.019 1.00 0.00 O ATOM 1201 CB ASP A 76 17.803 6.221 -2.769 1.00 0.00 C ATOM 1202 CG ASP A 76 18.783 5.885 -1.662 1.00 0.00 C ATOM 1203 OD1 ASP A 76 18.529 4.914 -0.920 1.00 0.00 O ATOM 1204 OD2 ASP A 76 19.804 6.594 -1.538 1.00 0.00 O ATOM 0 H ASP A 76 15.903 7.005 -4.131 1.00 0.00 H new ATOM 0 HA ASP A 76 16.175 4.914 -2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.029 5.616 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.931 7.264 -3.059 1.00 0.00 H new ATOM 1209 N PHE A 77 15.226 7.649 -0.991 1.00 0.00 N ATOM 1210 CA PHE A 77 14.888 8.356 0.239 1.00 0.00 C ATOM 1211 C PHE A 77 13.469 8.018 0.687 1.00 0.00 C ATOM 1212 O PHE A 77 13.237 7.676 1.847 1.00 0.00 O ATOM 1213 CB PHE A 77 15.026 9.867 0.039 1.00 0.00 C ATOM 1214 CG PHE A 77 16.450 10.343 0.038 1.00 0.00 C ATOM 1215 CD1 PHE A 77 17.377 9.796 -0.834 1.00 0.00 C ATOM 1216 CD2 PHE A 77 16.861 11.339 0.909 1.00 0.00 C ATOM 1217 CE1 PHE A 77 18.689 10.232 -0.836 1.00 0.00 C ATOM 1218 CE2 PHE A 77 18.172 11.780 0.911 1.00 0.00 C ATOM 1219 CZ PHE A 77 19.086 11.227 0.037 1.00 0.00 C ATOM 0 H PHE A 77 14.752 8.000 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 77 15.582 8.035 1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.558 10.145 -0.905 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.480 10.382 0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.071 9.020 -1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.150 11.776 1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 77 19.403 9.796 -1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.480 12.556 1.596 1.00 0.00 H new ATOM 0 HZ PHE A 77 20.110 11.571 0.035 1.00 0.00 H new ATOM 1229 N ASP A 78 12.523 8.118 -0.240 1.00 0.00 N ATOM 1230 CA ASP A 78 11.126 7.823 0.057 1.00 0.00 C ATOM 1231 C ASP A 78 10.432 7.202 -1.151 1.00 0.00 C ATOM 1232 O ASP A 78 10.951 7.241 -2.267 1.00 0.00 O ATOM 1233 CB ASP A 78 10.393 9.096 0.484 1.00 0.00 C ATOM 1234 CG ASP A 78 10.467 10.186 -0.568 1.00 0.00 C ATOM 1235 OD1 ASP A 78 10.587 9.849 -1.765 1.00 0.00 O ATOM 1236 OD2 ASP A 78 10.405 11.376 -0.194 1.00 0.00 O ATOM 0 H ASP A 78 12.698 8.401 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 78 11.099 7.105 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.348 8.860 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.822 9.464 1.416 1.00 0.00 H new ATOM 1241 N THR A 79 9.255 6.629 -0.921 1.00 0.00 N ATOM 1242 CA THR A 79 8.490 5.998 -1.989 1.00 0.00 C ATOM 1243 C THR A 79 7.133 6.669 -2.165 1.00 0.00 C ATOM 1244 O THR A 79 6.396 6.864 -1.199 1.00 0.00 O ATOM 1245 CB THR A 79 8.276 4.497 -1.716 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.356 3.952 -2.668 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.748 4.273 -0.307 1.00 0.00 C ATOM 0 H THR A 79 8.811 6.589 -0.004 1.00 0.00 H new ATOM 0 HA THR A 79 9.071 6.114 -2.904 1.00 0.00 H new ATOM 0 HB THR A 79 9.238 3.992 -1.811 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.450 3.971 -2.295 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.605 3.206 -0.138 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.465 4.662 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.796 4.790 -0.189 1.00 0.00 H new ATOM 1255 N VAL A 80 6.808 7.020 -3.405 1.00 0.00 N ATOM 1256 CA VAL A 80 5.538 7.669 -3.708 1.00 0.00 C ATOM 1257 C VAL A 80 4.665 6.782 -4.589 1.00 0.00 C ATOM 1258 O VAL A 80 5.145 6.175 -5.547 1.00 0.00 O ATOM 1259 CB VAL A 80 5.752 9.022 -4.412 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.416 9.659 -4.762 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.582 9.950 -3.538 1.00 0.00 C ATOM 0 H VAL A 80 7.407 6.866 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 80 5.035 7.840 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 80 6.298 8.848 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.587 10.614 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.861 8.998 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.841 9.822 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.724 10.902 -4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.065 10.120 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.553 9.494 -3.343 1.00 0.00 H new ATOM 1271 N PHE A 81 3.379 6.713 -4.260 1.00 0.00 N ATOM 1272 CA PHE A 81 2.438 5.900 -5.022 1.00 0.00 C ATOM 1273 C PHE A 81 1.261 6.742 -5.507 1.00 0.00 C ATOM 1274 O PHE A 81 0.730 7.572 -4.769 1.00 0.00 O ATOM 1275 CB PHE A 81 1.929 4.737 -4.168 1.00 0.00 C ATOM 1276 CG PHE A 81 0.716 4.060 -4.739 1.00 0.00 C ATOM 1277 CD1 PHE A 81 -0.556 4.528 -4.450 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.848 2.956 -5.567 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -1.673 3.906 -4.974 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -0.266 2.330 -6.094 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.529 2.807 -5.798 1.00 0.00 C ATOM 0 H PHE A 81 2.965 7.210 -3.471 1.00 0.00 H new ATOM 0 HA PHE A 81 2.961 5.502 -5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.726 4.002 -4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.693 5.106 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.676 5.388 -3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.833 2.581 -5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.659 4.279 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.150 1.469 -6.736 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.401 2.321 -6.210 1.00 0.00 H new ATOM 1291 N PHE A 82 0.859 6.523 -6.755 1.00 0.00 N ATOM 1292 CA PHE A 82 -0.253 7.261 -7.341 1.00 0.00 C ATOM 1293 C PHE A 82 -1.016 6.395 -8.338 1.00 0.00 C ATOM 1294 O PHE A 82 -0.480 5.423 -8.871 1.00 0.00 O ATOM 1295 CB PHE A 82 0.256 8.527 -8.033 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.639 9.007 -9.140 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.685 8.337 -10.352 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -1.435 10.128 -8.968 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.507 8.777 -11.372 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -2.260 10.572 -9.984 1.00 0.00 C ATOM 1301 CZ PHE A 82 -2.297 9.895 -11.187 1.00 0.00 C ATOM 0 H PHE A 82 1.287 5.840 -7.380 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.933 7.543 -6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.361 9.319 -7.292 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.250 8.336 -8.437 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.071 7.461 -10.501 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.410 10.661 -8.029 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.532 8.247 -12.313 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.875 11.448 -9.837 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.942 10.239 -11.982 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.272 6.753 -8.586 1.00 0.00 N ATOM 1312 CA VAL A 83 -3.110 6.010 -9.519 1.00 0.00 C ATOM 1313 C VAL A 83 -4.078 6.936 -10.246 1.00 0.00 C ATOM 1314 O VAL A 83 -4.888 7.620 -9.619 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.912 4.909 -8.799 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.777 4.145 -9.789 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -2.975 3.967 -8.058 1.00 0.00 C ATOM 0 H VAL A 83 -2.732 7.554 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.442 5.547 -10.245 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.569 5.380 -8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.336 3.372 -9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.473 4.832 -10.270 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.143 3.683 -10.545 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.558 3.195 -7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.292 3.501 -8.768 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.403 4.529 -7.320 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.989 6.953 -11.572 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.857 7.797 -12.385 1.00 0.00 C ATOM 1329 C ARG A 84 -6.285 7.785 -11.847 1.00 0.00 C ATOM 1330 O ARG A 84 -6.824 8.825 -11.469 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.846 7.324 -13.840 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.172 8.422 -14.839 1.00 0.00 C ATOM 1333 CD ARG A 84 -4.768 8.028 -16.251 1.00 0.00 C ATOM 1334 NE ARG A 84 -3.385 8.393 -16.547 1.00 0.00 N ATOM 1335 CZ ARG A 84 -2.684 7.866 -17.544 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -3.233 6.956 -18.338 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -1.430 8.249 -17.750 1.00 0.00 N ATOM 0 H ARG A 84 -3.325 6.392 -12.106 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.477 8.818 -12.338 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.864 6.913 -14.072 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.566 6.514 -13.955 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.241 8.635 -14.811 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.656 9.339 -14.554 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.894 6.953 -16.377 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.432 8.513 -16.967 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.933 9.091 -15.956 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.197 6.659 -18.184 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.692 6.553 -19.103 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.004 8.949 -17.142 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.892 7.844 -18.516 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.891 6.603 -11.816 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.257 6.457 -11.326 1.00 0.00 C ATOM 1353 C GLN A 85 -8.325 5.429 -10.202 1.00 0.00 C ATOM 1354 O GLN A 85 -7.814 4.317 -10.333 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.190 6.046 -12.466 1.00 0.00 C ATOM 1356 CG GLN A 85 -8.845 6.694 -13.798 1.00 0.00 C ATOM 1357 CD GLN A 85 -7.863 5.873 -14.610 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -7.595 4.713 -14.294 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -7.319 6.471 -15.663 1.00 0.00 N ATOM 0 H GLN A 85 -6.458 5.732 -12.124 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.579 7.421 -10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.157 4.962 -12.579 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.214 6.307 -12.199 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.758 6.836 -14.376 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.424 7.683 -13.618 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.569 7.434 -15.889 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.651 5.968 -16.246 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.958 5.808 -9.097 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.094 4.918 -7.950 1.00 0.00 C ATOM 1370 C ALA A 86 -10.442 4.206 -7.965 1.00 0.00 C ATOM 1371 O ALA A 86 -11.378 4.615 -7.279 1.00 0.00 O ATOM 1372 CB ALA A 86 -8.920 5.697 -6.655 1.00 0.00 C ATOM 0 H ALA A 86 -9.385 6.726 -8.971 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.312 4.161 -8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.024 5.021 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.931 6.154 -6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.681 6.475 -6.594 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.534 3.139 -8.752 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.768 2.370 -8.855 1.00 0.00 C ATOM 1380 C ALA A 87 -11.951 1.462 -7.643 1.00 0.00 C ATOM 1381 O ALA A 87 -10.981 0.931 -7.102 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.773 1.550 -10.137 1.00 0.00 C ATOM 0 H ALA A 87 -9.769 2.788 -9.327 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.603 3.070 -8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.700 0.981 -10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.697 2.217 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.926 0.864 -10.134 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.200 1.289 -7.223 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.509 0.447 -6.074 1.00 0.00 C ATOM 1390 C ARG A 88 -12.603 -0.781 -6.040 1.00 0.00 C ATOM 1391 O ARG A 88 -12.256 -1.279 -4.969 1.00 0.00 O ATOM 1392 CB ARG A 88 -14.975 0.010 -6.114 1.00 0.00 C ATOM 1393 CG ARG A 88 -15.957 1.165 -6.008 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.275 0.721 -5.392 1.00 0.00 C ATOM 1395 NE ARG A 88 -17.080 0.034 -4.118 1.00 0.00 N ATOM 1396 CZ ARG A 88 -18.038 -0.642 -3.494 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -19.250 -0.722 -4.023 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -17.783 -1.241 -2.337 1.00 0.00 N ATOM 0 H ARG A 88 -14.014 1.721 -7.661 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.335 1.031 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.160 -0.529 -7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.160 -0.689 -5.298 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.521 1.960 -5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.139 1.581 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.915 1.590 -5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.794 0.059 -6.085 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.158 0.076 -3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -19.450 -0.264 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -19.983 -1.242 -3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.851 -1.182 -1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.519 -1.760 -1.858 1.00 0.00 H new ATOM 1412 N SER A 89 -12.224 -1.263 -7.219 1.00 0.00 N ATOM 1413 CA SER A 89 -11.361 -2.434 -7.324 1.00 0.00 C ATOM 1414 C SER A 89 -10.082 -2.242 -6.515 1.00 0.00 C ATOM 1415 O SER A 89 -9.768 -3.038 -5.631 1.00 0.00 O ATOM 1416 CB SER A 89 -11.016 -2.709 -8.789 1.00 0.00 C ATOM 1417 OG SER A 89 -10.187 -3.852 -8.911 1.00 0.00 O ATOM 0 H SER A 89 -12.501 -0.861 -8.115 1.00 0.00 H new ATOM 0 HA SER A 89 -11.900 -3.290 -6.918 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.932 -2.858 -9.360 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.511 -1.842 -9.216 1.00 0.00 H new ATOM 0 HG SER A 89 -9.982 -4.008 -9.857 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.348 -1.179 -6.825 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.103 -0.879 -6.128 1.00 0.00 C ATOM 1425 C ASP A 90 -8.210 -1.237 -4.648 1.00 0.00 C ATOM 1426 O ASP A 90 -7.255 -1.731 -4.049 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.750 0.601 -6.283 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.309 0.946 -7.692 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -8.124 0.789 -8.625 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -6.148 1.373 -7.862 1.00 0.00 O ATOM 0 H ASP A 90 -9.594 -0.510 -7.555 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.311 -1.481 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.616 1.208 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.954 0.857 -5.583 1.00 0.00 H new ATOM 1435 N SER A 91 -9.377 -0.982 -4.066 1.00 0.00 N ATOM 1436 CA SER A 91 -9.607 -1.272 -2.655 1.00 0.00 C ATOM 1437 C SER A 91 -8.926 -2.577 -2.251 1.00 0.00 C ATOM 1438 O SER A 91 -9.260 -3.647 -2.758 1.00 0.00 O ATOM 1439 CB SER A 91 -11.107 -1.356 -2.368 1.00 0.00 C ATOM 1440 OG SER A 91 -11.636 -2.603 -2.783 1.00 0.00 O ATOM 0 H SER A 91 -10.178 -0.575 -4.549 1.00 0.00 H new ATOM 0 HA SER A 91 -9.177 -0.461 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.285 -1.219 -1.301 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.625 -0.548 -2.884 1.00 0.00 H new ATOM 0 HG SER A 91 -12.017 -2.514 -3.681 1.00 0.00 H new ATOM 1446 N GLY A 92 -7.968 -2.478 -1.334 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.255 -3.656 -0.877 1.00 0.00 C ATOM 1448 C GLY A 92 -6.314 -3.354 0.273 1.00 0.00 C ATOM 1449 O GLY A 92 -6.578 -2.465 1.081 1.00 0.00 O ATOM 0 H GLY A 92 -7.673 -1.603 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.974 -4.414 -0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.687 -4.078 -1.706 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.214 -4.098 0.346 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.233 -3.906 1.408 1.00 0.00 C ATOM 1455 C GLU A 93 -2.817 -3.874 0.840 1.00 0.00 C ATOM 1456 O GLU A 93 -2.311 -4.883 0.348 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.352 -5.020 2.450 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.640 -4.711 3.756 1.00 0.00 C ATOM 1459 CD GLU A 93 -3.942 -5.726 4.840 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -3.327 -6.813 4.825 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -4.795 -5.434 5.705 1.00 0.00 O ATOM 0 H GLU A 93 -4.980 -4.838 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.436 -2.948 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.407 -5.202 2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.945 -5.941 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.565 -4.681 3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.934 -3.719 4.100 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.184 -2.709 0.912 1.00 0.00 N ATOM 1469 CA TYR A 94 -0.827 -2.543 0.403 1.00 0.00 C ATOM 1470 C TYR A 94 0.202 -2.818 1.495 1.00 0.00 C ATOM 1471 O TYR A 94 0.275 -2.096 2.489 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.636 -1.130 -0.149 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.322 -0.901 -1.478 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.660 -1.228 -1.657 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.631 -0.356 -2.553 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.290 -1.021 -2.869 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.253 -0.145 -3.769 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.582 -0.479 -3.922 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.206 -0.271 -5.130 1.00 0.00 O ATOM 0 H TYR A 94 -2.588 -1.865 1.318 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.678 -3.263 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.018 -0.411 0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.430 -0.934 -0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.217 -1.651 -0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.410 -0.093 -2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.331 -1.282 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.701 0.279 -4.595 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.818 0.515 -5.567 1.00 0.00 H new ATOM 1489 N GLU A 95 0.995 -3.867 1.302 1.00 0.00 N ATOM 1490 CA GLU A 95 2.020 -4.237 2.270 1.00 0.00 C ATOM 1491 C GLU A 95 3.403 -3.802 1.793 1.00 0.00 C ATOM 1492 O GLU A 95 3.892 -4.268 0.762 1.00 0.00 O ATOM 1493 CB GLU A 95 2.004 -5.748 2.510 1.00 0.00 C ATOM 1494 CG GLU A 95 3.110 -6.230 3.434 1.00 0.00 C ATOM 1495 CD GLU A 95 3.298 -7.734 3.385 1.00 0.00 C ATOM 1496 OE1 GLU A 95 2.303 -8.447 3.139 1.00 0.00 O ATOM 1497 OE2 GLU A 95 4.439 -8.197 3.592 1.00 0.00 O ATOM 0 H GLU A 95 0.947 -4.475 0.485 1.00 0.00 H new ATOM 0 HA GLU A 95 1.800 -3.724 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.040 -6.030 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.093 -6.260 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.045 -5.742 3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.881 -5.929 4.456 1.00 0.00 H new ATOM 1504 N LEU A 96 4.028 -2.905 2.548 1.00 0.00 N ATOM 1505 CA LEU A 96 5.354 -2.405 2.203 1.00 0.00 C ATOM 1506 C LEU A 96 6.422 -3.038 3.089 1.00 0.00 C ATOM 1507 O LEU A 96 6.356 -2.952 4.315 1.00 0.00 O ATOM 1508 CB LEU A 96 5.398 -0.882 2.340 1.00 0.00 C ATOM 1509 CG LEU A 96 6.365 -0.152 1.407 1.00 0.00 C ATOM 1510 CD1 LEU A 96 6.239 1.353 1.579 1.00 0.00 C ATOM 1511 CD2 LEU A 96 7.796 -0.603 1.663 1.00 0.00 C ATOM 0 H LEU A 96 3.638 -2.509 3.403 1.00 0.00 H new ATOM 0 HA LEU A 96 5.560 -2.676 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.395 -0.493 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.663 -0.637 3.369 1.00 0.00 H new ATOM 0 HG LEU A 96 6.105 -0.402 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.935 1.856 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.220 1.662 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.471 1.622 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.470 -0.073 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.067 -0.384 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.876 -1.676 1.487 1.00 0.00 H new ATOM 1523 N SER A 97 7.406 -3.672 2.460 1.00 0.00 N ATOM 1524 CA SER A 97 8.488 -4.321 3.191 1.00 0.00 C ATOM 1525 C SER A 97 9.847 -3.887 2.649 1.00 0.00 C ATOM 1526 O SER A 97 10.133 -4.043 1.462 1.00 0.00 O ATOM 1527 CB SER A 97 8.352 -5.842 3.102 1.00 0.00 C ATOM 1528 OG SER A 97 7.174 -6.288 3.750 1.00 0.00 O ATOM 0 H SER A 97 7.476 -3.750 1.445 1.00 0.00 H new ATOM 0 HA SER A 97 8.420 -4.018 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.333 -6.148 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.222 -6.315 3.557 1.00 0.00 H new ATOM 0 HG SER A 97 6.981 -7.210 3.480 1.00 0.00 H new ATOM 1534 N VAL A 98 10.682 -3.343 3.528 1.00 0.00 N ATOM 1535 CA VAL A 98 12.011 -2.887 3.140 1.00 0.00 C ATOM 1536 C VAL A 98 13.056 -3.970 3.382 1.00 0.00 C ATOM 1537 O VAL A 98 13.314 -4.353 4.523 1.00 0.00 O ATOM 1538 CB VAL A 98 12.417 -1.616 3.910 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.714 -1.047 3.356 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.303 -0.582 3.854 1.00 0.00 C ATOM 0 H VAL A 98 10.461 -3.207 4.515 1.00 0.00 H new ATOM 0 HA VAL A 98 11.968 -2.659 2.075 1.00 0.00 H new ATOM 0 HB VAL A 98 12.583 -1.881 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.985 -0.150 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.507 -1.788 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.581 -0.795 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.606 0.310 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.103 -0.318 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.400 -0.995 4.304 1.00 0.00 H new ATOM 1550 N GLN A 99 13.654 -4.460 2.301 1.00 0.00 N ATOM 1551 CA GLN A 99 14.671 -5.501 2.397 1.00 0.00 C ATOM 1552 C GLN A 99 16.070 -4.893 2.431 1.00 0.00 C ATOM 1553 O GLN A 99 16.386 -3.994 1.651 1.00 0.00 O ATOM 1554 CB GLN A 99 14.552 -6.470 1.220 1.00 0.00 C ATOM 1555 CG GLN A 99 14.999 -7.885 1.550 1.00 0.00 C ATOM 1556 CD GLN A 99 14.821 -8.839 0.385 1.00 0.00 C ATOM 1557 OE1 GLN A 99 14.123 -9.848 0.495 1.00 0.00 O ATOM 1558 NE2 GLN A 99 15.453 -8.526 -0.740 1.00 0.00 N ATOM 0 H GLN A 99 13.452 -4.153 1.349 1.00 0.00 H new ATOM 0 HA GLN A 99 14.509 -6.048 3.326 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.516 -6.494 0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.148 -6.094 0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.048 -7.871 1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.431 -8.251 2.405 1.00 0.00 H new ATOM 0 HE21 GLN A 99 16.021 -7.680 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.370 -9.131 -1.557 1.00 0.00 H new ATOM 1567 N ILE A 100 16.903 -5.389 3.340 1.00 0.00 N ATOM 1568 CA ILE A 100 18.268 -4.894 3.474 1.00 0.00 C ATOM 1569 C ILE A 100 19.276 -6.036 3.397 1.00 0.00 C ATOM 1570 O ILE A 100 18.931 -7.197 3.614 1.00 0.00 O ATOM 1571 CB ILE A 100 18.465 -4.140 4.802 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.427 -3.023 4.939 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.874 -3.573 4.886 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.698 -1.835 4.043 1.00 0.00 C ATOM 0 H ILE A 100 16.657 -6.132 3.994 1.00 0.00 H new ATOM 0 HA ILE A 100 18.437 -4.206 2.646 1.00 0.00 H new ATOM 0 HB ILE A 100 18.327 -4.842 5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.440 -3.424 4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.400 -2.688 5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.997 -3.043 5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.597 -4.386 4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 100 20.038 -2.883 4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.924 -1.083 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.671 -1.408 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.695 -2.157 3.002 1.00 0.00 H new ATOM 1586 N GLU A 101 20.523 -5.697 3.088 1.00 0.00 N ATOM 1587 CA GLU A 101 21.582 -6.694 2.983 1.00 0.00 C ATOM 1588 C GLU A 101 21.370 -7.820 3.991 1.00 0.00 C ATOM 1589 O GLU A 101 21.458 -8.998 3.649 1.00 0.00 O ATOM 1590 CB GLU A 101 22.949 -6.044 3.207 1.00 0.00 C ATOM 1591 CG GLU A 101 23.488 -5.324 1.983 1.00 0.00 C ATOM 1592 CD GLU A 101 24.988 -5.107 2.047 1.00 0.00 C ATOM 1593 OE1 GLU A 101 25.681 -5.931 2.679 1.00 0.00 O ATOM 1594 OE2 GLU A 101 25.468 -4.113 1.464 1.00 0.00 O ATOM 0 H GLU A 101 20.825 -4.740 2.906 1.00 0.00 H new ATOM 0 HA GLU A 101 21.550 -7.117 1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.874 -5.335 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.662 -6.811 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.246 -5.901 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 101 22.989 -4.360 1.884 1.00 0.00 H new ATOM 1601 N ASN A 102 21.092 -7.447 5.236 1.00 0.00 N ATOM 1602 CA ASN A 102 20.869 -8.424 6.295 1.00 0.00 C ATOM 1603 C ASN A 102 19.590 -8.109 7.066 1.00 0.00 C ATOM 1604 O ASN A 102 18.910 -9.011 7.554 1.00 0.00 O ATOM 1605 CB ASN A 102 22.062 -8.451 7.253 1.00 0.00 C ATOM 1606 CG ASN A 102 22.225 -9.795 7.936 1.00 0.00 C ATOM 1607 OD1 ASN A 102 21.247 -10.498 8.190 1.00 0.00 O ATOM 1608 ND2 ASN A 102 23.467 -10.159 8.236 1.00 0.00 N ATOM 0 H ASN A 102 21.016 -6.475 5.536 1.00 0.00 H new ATOM 0 HA ASN A 102 20.761 -9.405 5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.972 -8.214 6.702 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.935 -7.676 8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 102 23.639 -11.053 8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 102 24.248 -9.544 8.007 1.00 0.00 H new ATOM 1615 N MET A 103 19.270 -6.824 7.170 1.00 0.00 N ATOM 1616 CA MET A 103 18.072 -6.390 7.880 1.00 0.00 C ATOM 1617 C MET A 103 16.850 -6.447 6.969 1.00 0.00 C ATOM 1618 O MET A 103 16.976 -6.588 5.752 1.00 0.00 O ATOM 1619 CB MET A 103 18.258 -4.969 8.416 1.00 0.00 C ATOM 1620 CG MET A 103 19.246 -4.878 9.567 1.00 0.00 C ATOM 1621 SD MET A 103 18.585 -5.550 11.104 1.00 0.00 S ATOM 1622 CE MET A 103 17.442 -4.255 11.577 1.00 0.00 C ATOM 0 H MET A 103 19.823 -6.065 6.772 1.00 0.00 H new ATOM 0 HA MET A 103 17.910 -7.068 8.718 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.598 -4.325 7.605 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.293 -4.585 8.745 1.00 0.00 H new ATOM 0 HG2 MET A 103 20.157 -5.415 9.302 1.00 0.00 H new ATOM 0 HG3 MET A 103 19.524 -3.835 9.721 1.00 0.00 H new ATOM 0 HE1 MET A 103 17.087 -4.436 12.591 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.948 -3.290 11.536 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.595 -4.249 10.891 1.00 0.00 H new ATOM 1632 N LYS A 104 15.668 -6.337 7.565 1.00 0.00 N ATOM 1633 CA LYS A 104 14.422 -6.375 6.808 1.00 0.00 C ATOM 1634 C LYS A 104 13.283 -5.745 7.603 1.00 0.00 C ATOM 1635 O LYS A 104 13.262 -5.808 8.833 1.00 0.00 O ATOM 1636 CB LYS A 104 14.067 -7.818 6.443 1.00 0.00 C ATOM 1637 CG LYS A 104 12.930 -7.930 5.442 1.00 0.00 C ATOM 1638 CD LYS A 104 12.280 -9.302 5.488 1.00 0.00 C ATOM 1639 CE LYS A 104 11.144 -9.347 6.498 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.522 -10.698 6.574 1.00 0.00 N ATOM 0 H LYS A 104 15.546 -6.221 8.571 1.00 0.00 H new ATOM 0 HA LYS A 104 14.564 -5.800 5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.950 -8.308 6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.795 -8.357 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.182 -7.165 5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.308 -7.739 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.900 -9.559 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.028 -10.052 5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.521 -9.065 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.386 -8.613 6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.752 -10.687 7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.140 -10.957 5.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.239 -11.395 6.860 1.00 0.00 H new ATOM 1654 N ASP A 105 12.337 -5.139 6.894 1.00 0.00 N ATOM 1655 CA ASP A 105 11.193 -4.500 7.534 1.00 0.00 C ATOM 1656 C ASP A 105 9.897 -4.856 6.811 1.00 0.00 C ATOM 1657 O ASP A 105 9.914 -5.274 5.653 1.00 0.00 O ATOM 1658 CB ASP A 105 11.377 -2.982 7.559 1.00 0.00 C ATOM 1659 CG ASP A 105 10.572 -2.319 8.659 1.00 0.00 C ATOM 1660 OD1 ASP A 105 10.513 -2.882 9.773 1.00 0.00 O ATOM 1661 OD2 ASP A 105 10.002 -1.237 8.407 1.00 0.00 O ATOM 0 H ASP A 105 12.340 -5.077 5.876 1.00 0.00 H new ATOM 0 HA ASP A 105 11.129 -4.867 8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.433 -2.749 7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.081 -2.567 6.596 1.00 0.00 H new ATOM 1666 N THR A 106 8.774 -4.688 7.502 1.00 0.00 N ATOM 1667 CA THR A 106 7.470 -4.993 6.928 1.00 0.00 C ATOM 1668 C THR A 106 6.408 -4.022 7.430 1.00 0.00 C ATOM 1669 O THR A 106 6.475 -3.544 8.562 1.00 0.00 O ATOM 1670 CB THR A 106 7.033 -6.432 7.261 1.00 0.00 C ATOM 1671 OG1 THR A 106 7.244 -6.699 8.652 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.805 -7.440 6.423 1.00 0.00 C ATOM 0 H THR A 106 8.742 -4.342 8.461 1.00 0.00 H new ATOM 0 HA THR A 106 7.568 -4.892 5.847 1.00 0.00 H new ATOM 0 HB THR A 106 5.972 -6.528 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.962 -7.615 8.856 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.479 -8.449 6.676 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.619 -7.253 5.366 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.871 -7.342 6.626 1.00 0.00 H new ATOM 1680 N ALA A 107 5.427 -3.735 6.580 1.00 0.00 N ATOM 1681 CA ALA A 107 4.348 -2.823 6.939 1.00 0.00 C ATOM 1682 C ALA A 107 3.078 -3.139 6.156 1.00 0.00 C ATOM 1683 O ALA A 107 3.135 -3.695 5.058 1.00 0.00 O ATOM 1684 CB ALA A 107 4.773 -1.382 6.699 1.00 0.00 C ATOM 0 H ALA A 107 5.358 -4.121 5.638 1.00 0.00 H new ATOM 0 HA ALA A 107 4.132 -2.955 7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.958 -0.712 6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.648 -1.155 7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.018 -1.246 5.646 1.00 0.00 H new ATOM 1690 N THR A 108 1.932 -2.782 6.727 1.00 0.00 N ATOM 1691 CA THR A 108 0.648 -3.030 6.083 1.00 0.00 C ATOM 1692 C THR A 108 -0.145 -1.738 5.923 1.00 0.00 C ATOM 1693 O THR A 108 -0.151 -0.888 6.814 1.00 0.00 O ATOM 1694 CB THR A 108 -0.196 -4.041 6.882 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.526 -5.267 7.038 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.520 -4.311 6.184 1.00 0.00 C ATOM 0 H THR A 108 1.867 -2.320 7.634 1.00 0.00 H new ATOM 0 HA THR A 108 0.863 -3.446 5.099 1.00 0.00 H new ATOM 0 HB THR A 108 -0.401 -3.614 7.864 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.017 -5.904 7.548 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.099 -5.028 6.767 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.080 -3.380 6.094 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.331 -4.719 5.191 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.812 -1.596 4.782 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.610 -0.407 4.507 1.00 0.00 C ATOM 1706 C ILE A 109 -2.995 -0.782 3.990 1.00 0.00 C ATOM 1707 O ILE A 109 -3.131 -1.639 3.117 1.00 0.00 O ATOM 1708 CB ILE A 109 -0.920 0.508 3.478 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.441 0.967 4.004 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.803 1.705 3.159 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.267 1.707 2.975 1.00 0.00 C ATOM 0 H ILE A 109 -0.816 -2.289 4.034 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.710 0.131 5.450 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.761 -0.056 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.289 1.613 4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.000 0.098 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.302 2.343 2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.751 1.358 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.990 2.273 4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.219 2.003 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.450 1.057 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.728 2.596 2.646 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.019 -0.133 4.534 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.394 -0.397 4.127 1.00 0.00 C ATOM 1725 C ARG A 110 -5.968 0.785 3.351 1.00 0.00 C ATOM 1726 O ARG A 110 -5.905 1.927 3.805 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.264 -0.688 5.351 1.00 0.00 C ATOM 1728 CG ARG A 110 -5.861 -1.949 6.099 1.00 0.00 C ATOM 1729 CD ARG A 110 -6.775 -2.208 7.286 1.00 0.00 C ATOM 1730 NE ARG A 110 -6.758 -3.611 7.693 1.00 0.00 N ATOM 1731 CZ ARG A 110 -7.488 -4.095 8.692 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -8.288 -3.293 9.382 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -7.418 -5.383 9.003 1.00 0.00 N ATOM 0 H ARG A 110 -3.923 0.579 5.258 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.392 -1.271 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.213 0.161 6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.303 -0.780 5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.893 -2.802 5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.832 -1.855 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.467 -1.583 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.794 -1.917 7.030 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.153 -4.254 7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.344 -2.302 9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.847 -3.667 10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.803 -6.002 8.475 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.979 -5.754 9.770 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.527 0.501 2.179 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.113 1.540 1.341 1.00 0.00 C ATOM 1749 C ILE A 111 -8.588 1.263 1.072 1.00 0.00 C ATOM 1750 O ILE A 111 -8.978 0.126 0.806 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.371 1.663 -0.003 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.904 2.027 0.230 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -7.046 2.702 -0.887 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.059 1.962 -1.023 1.00 0.00 C ATOM 0 H ILE A 111 -6.586 -0.439 1.789 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.017 2.478 1.887 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.410 0.700 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.849 3.034 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.485 1.352 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.510 2.778 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.077 2.404 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.034 3.670 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.031 2.232 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.083 0.950 -1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.453 2.657 -1.764 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.403 2.310 1.142 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.836 2.180 0.906 1.00 0.00 C ATOM 1768 C ARG A 112 -11.315 3.214 -0.109 1.00 0.00 C ATOM 1769 O ARG A 112 -10.979 4.394 -0.014 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.607 2.340 2.217 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.117 2.346 2.039 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.835 2.146 3.364 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.200 1.661 3.179 1.00 0.00 N ATOM 1774 CZ ARG A 112 -16.082 1.553 4.167 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.743 1.893 5.402 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.306 1.104 3.919 1.00 0.00 N ATOM 0 H ARG A 112 -9.096 3.258 1.360 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.024 1.185 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.332 1.529 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.302 3.270 2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.428 3.291 1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.406 1.557 1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.278 1.436 3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.856 3.089 3.911 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.492 1.390 2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.803 2.239 5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.422 1.809 6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.570 0.841 2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -17.982 1.021 4.678 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.103 2.762 -1.079 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.630 3.648 -2.111 1.00 0.00 C ATOM 1792 C VAL A 113 -14.146 3.769 -2.010 1.00 0.00 C ATOM 1793 O VAL A 113 -14.855 2.767 -1.906 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.259 3.150 -3.520 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -13.011 3.939 -4.581 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.756 3.245 -3.740 1.00 0.00 C ATOM 0 H VAL A 113 -12.391 1.788 -1.172 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.179 4.627 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.551 2.103 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.736 3.573 -5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -14.084 3.816 -4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.753 4.995 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.512 2.889 -4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.438 4.282 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.241 2.632 -3.001 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.639 5.003 -2.041 1.00 0.00 N ATOM 1807 CA VAL A 114 -16.073 5.256 -1.954 1.00 0.00 C ATOM 1808 C VAL A 114 -16.617 5.792 -3.274 1.00 0.00 C ATOM 1809 O VAL A 114 -16.079 6.746 -3.835 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.399 6.259 -0.831 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -16.109 5.648 0.531 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.614 7.548 -1.025 1.00 0.00 C ATOM 0 H VAL A 114 -14.067 5.843 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.550 4.302 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.462 6.497 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.345 6.371 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.719 4.755 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -15.054 5.379 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.856 8.246 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.546 7.330 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.877 7.993 -1.985 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.687 5.173 -3.762 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.303 5.588 -5.016 1.00 0.00 C ATOM 1824 C GLU A 115 -18.812 7.024 -4.923 1.00 0.00 C ATOM 1825 O GLU A 115 -19.508 7.388 -3.975 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.456 4.650 -5.379 1.00 0.00 C ATOM 1827 CG GLU A 115 -20.453 4.445 -4.251 1.00 0.00 C ATOM 1828 CD GLU A 115 -21.629 5.399 -4.331 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.527 6.404 -5.065 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -22.650 5.141 -3.660 1.00 0.00 O ATOM 0 H GLU A 115 -18.145 4.383 -3.308 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.544 5.539 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.980 5.051 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -19.048 3.683 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -20.820 3.419 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.947 4.578 -3.295 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.459 7.836 -5.913 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.879 9.232 -5.946 1.00 0.00 C ATOM 1839 C LYS A 116 -20.369 9.359 -5.648 1.00 0.00 C ATOM 1840 O LYS A 116 -21.203 9.236 -6.544 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.566 9.849 -7.311 1.00 0.00 C ATOM 1842 CG LYS A 116 -17.097 10.180 -7.507 1.00 0.00 C ATOM 1843 CD LYS A 116 -16.784 10.488 -8.962 1.00 0.00 C ATOM 1844 CE LYS A 116 -17.100 11.935 -9.305 1.00 0.00 C ATOM 1845 NZ LYS A 116 -15.936 12.831 -9.058 1.00 0.00 N ATOM 0 H LYS A 116 -17.882 7.551 -6.705 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.325 9.770 -5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -18.882 9.159 -8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -19.154 10.759 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.830 11.036 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.486 9.342 -7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -15.731 10.288 -9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -17.361 9.826 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -17.395 12.004 -10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.950 12.272 -8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.192 13.809 -9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.670 12.785 -8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.133 12.526 -9.644 1.00 0.00 H new