USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=16 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 24 LYS NZ :NH3+ 157:sc= 0.0623 (180deg=0) USER MOD Set 1.2: A 94 THR OG1 : rot 160:sc= 0.0416 USER MOD Set 2.1: A 88 GLN : amide:sc= 0.0687 K(o=-5.1,f=-5.7) USER MOD Set 2.2: A 89 GLN : amide:sc= -5.15! C(o=-5.1!,f=-5.4!) USER MOD Set 3.1: A 78 THR OG1 : rot -110:sc= -2.03 USER MOD Set 3.2: A 81 GLN : amide:sc= -1.78 K(o=-3.8,f=0.31) USER MOD Set 4.1: A 35 SER OG : rot -127:sc= 0.0154 USER MOD Set 4.2: A 47 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 22 HIS : no HD1:sc= -4.95! C(o=-5!,f=-7.4!) USER MOD Single : A 26 GLN : amide:sc= -0.191 K(o=-0.19,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -2.77! (180deg=-3.43!) USER MOD Single : A 29 SER OG : rot 53:sc= 0.00583 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 -100:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.537 K(o=-0.54,f=-1.8!) USER MOD Single : A 57 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.3) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.573 K(o=-0.57,f=-2.6!) USER MOD Single : A 70 ASN : amide:sc= -4.49! C(o=-4.5!,f=-13!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.379 K(o=-0.38,f=-3.1!) USER MOD Single : A 90 CYS SG : rot 77:sc= -0.824 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 98 GLN : amide:sc= -2.22 K(o=-2.2,f=-6.2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.363 K(o=-0.36,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -1.622 -9.514 0.189 1.00 0.00 N ATOM 230 CA VAL A 17 -1.140 -8.174 0.480 1.00 0.00 C ATOM 231 C VAL A 17 -2.174 -7.439 1.334 1.00 0.00 C ATOM 232 O VAL A 17 -3.272 -7.945 1.558 1.00 0.00 O ATOM 233 CB VAL A 17 -0.811 -7.442 -0.822 1.00 0.00 C ATOM 234 CG1 VAL A 17 0.595 -7.796 -1.311 1.00 0.00 C ATOM 235 CG2 VAL A 17 -1.857 -7.740 -1.899 1.00 0.00 C ATOM 0 HA VAL A 17 -0.215 -8.218 1.055 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.835 -6.371 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.803 -7.262 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.326 -7.509 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.659 -8.870 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.599 -7.207 -2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.880 -8.812 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.838 -7.414 -1.554 1.00 0.00 H new ATOM 245 N GLU A 18 -1.787 -6.256 1.789 1.00 0.00 N ATOM 246 CA GLU A 18 -2.667 -5.446 2.614 1.00 0.00 C ATOM 247 C GLU A 18 -3.760 -4.807 1.755 1.00 0.00 C ATOM 248 O GLU A 18 -3.512 -3.823 1.060 1.00 0.00 O ATOM 249 CB GLU A 18 -1.876 -4.382 3.377 1.00 0.00 C ATOM 250 CG GLU A 18 -0.841 -5.025 4.302 1.00 0.00 C ATOM 251 CD GLU A 18 0.503 -5.190 3.590 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.472 -5.372 2.354 1.00 0.00 O ATOM 253 OE2 GLU A 18 1.531 -5.131 4.298 1.00 0.00 O ATOM 0 H GLU A 18 -0.875 -5.839 1.602 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.143 -6.094 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.376 -3.720 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.559 -3.766 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.712 -4.410 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.201 -5.998 4.636 1.00 0.00 H new ATOM 260 N GLU A 19 -4.946 -5.393 1.832 1.00 0.00 N ATOM 261 CA GLU A 19 -6.078 -4.893 1.070 1.00 0.00 C ATOM 262 C GLU A 19 -6.034 -3.365 0.994 1.00 0.00 C ATOM 263 O GLU A 19 -5.476 -2.713 1.875 1.00 0.00 O ATOM 264 CB GLU A 19 -7.399 -5.374 1.672 1.00 0.00 C ATOM 265 CG GLU A 19 -8.180 -6.228 0.670 1.00 0.00 C ATOM 266 CD GLU A 19 -9.671 -5.888 0.706 1.00 0.00 C ATOM 267 OE1 GLU A 19 -10.146 -5.532 1.805 1.00 0.00 O ATOM 268 OE2 GLU A 19 -10.303 -5.993 -0.368 1.00 0.00 O ATOM 0 H GLU A 19 -5.148 -6.209 2.410 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.013 -5.289 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.202 -5.954 2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.001 -4.516 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.790 -6.064 -0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.038 -7.284 0.899 1.00 0.00 H new ATOM 275 N PRO A 20 -6.645 -2.826 -0.094 1.00 0.00 N ATOM 276 CA PRO A 20 -6.681 -1.387 -0.296 1.00 0.00 C ATOM 277 C PRO A 20 -7.693 -0.727 0.643 1.00 0.00 C ATOM 278 O PRO A 20 -8.899 -0.817 0.423 1.00 0.00 O ATOM 279 CB PRO A 20 -7.026 -1.205 -1.765 1.00 0.00 C ATOM 280 CG PRO A 20 -7.625 -2.526 -2.219 1.00 0.00 C ATOM 281 CD PRO A 20 -7.316 -3.568 -1.157 1.00 0.00 C ATOM 0 HA PRO A 20 -5.732 -0.905 -0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.734 -0.388 -1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.138 -0.958 -2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.702 -2.429 -2.357 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.206 -2.825 -3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.226 -4.045 -0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.678 -4.359 -1.552 1.00 0.00 H new ATOM 289 N ARG A 21 -7.163 -0.077 1.669 1.00 0.00 N ATOM 290 CA ARG A 21 -8.005 0.598 2.642 1.00 0.00 C ATOM 291 C ARG A 21 -8.326 2.018 2.172 1.00 0.00 C ATOM 292 O ARG A 21 -7.547 2.622 1.436 1.00 0.00 O ATOM 293 CB ARG A 21 -7.322 0.663 4.010 1.00 0.00 C ATOM 294 CG ARG A 21 -6.086 1.563 3.964 1.00 0.00 C ATOM 295 CD ARG A 21 -4.843 0.812 4.445 1.00 0.00 C ATOM 296 NE ARG A 21 -5.029 0.370 5.845 1.00 0.00 N ATOM 297 CZ ARG A 21 -4.067 -0.192 6.589 1.00 0.00 C ATOM 298 NH1 ARG A 21 -2.846 -0.385 6.072 1.00 0.00 N ATOM 299 NH2 ARG A 21 -4.327 -0.562 7.851 1.00 0.00 N ATOM 0 H ARG A 21 -6.161 -0.004 1.847 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.928 0.026 2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.024 1.041 4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.034 -0.340 4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.929 1.919 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.248 2.442 4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.658 -0.050 3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.967 1.457 4.372 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.947 0.501 6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.649 -0.104 5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.114 -0.813 6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.257 -0.416 8.244 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.595 -0.990 8.418 1.00 0.00 H new ATOM 313 N HIS A 22 -9.473 2.509 2.616 1.00 0.00 N ATOM 314 CA HIS A 22 -9.906 3.847 2.250 1.00 0.00 C ATOM 315 C HIS A 22 -9.655 4.805 3.416 1.00 0.00 C ATOM 316 O HIS A 22 -10.449 4.869 4.354 1.00 0.00 O ATOM 317 CB HIS A 22 -11.366 3.839 1.793 1.00 0.00 C ATOM 318 CG HIS A 22 -11.688 2.763 0.784 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.086 1.516 0.800 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.555 2.759 -0.269 1.00 0.00 C ATOM 321 CE1 HIS A 22 -11.576 0.803 -0.203 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.485 1.575 -0.865 1.00 0.00 N ATOM 0 H HIS A 22 -10.116 2.004 3.226 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.322 4.203 1.401 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.008 3.709 2.664 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.606 4.811 1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.190 3.580 -0.567 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.304 -0.212 -0.453 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.023 1.289 -1.683 1.00 0.00 H new ATOM 330 N VAL A 23 -8.548 5.526 3.320 1.00 0.00 N ATOM 331 CA VAL A 23 -8.182 6.478 4.355 1.00 0.00 C ATOM 332 C VAL A 23 -8.892 7.808 4.093 1.00 0.00 C ATOM 333 O VAL A 23 -8.819 8.348 2.990 1.00 0.00 O ATOM 334 CB VAL A 23 -6.660 6.617 4.424 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.252 7.683 5.443 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.001 5.273 4.744 1.00 0.00 C ATOM 0 H VAL A 23 -7.892 5.470 2.541 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.507 6.123 5.333 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.308 6.939 3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.165 7.761 5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.678 8.644 5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.622 7.404 6.430 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.919 5.399 4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.363 4.910 5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.251 4.551 3.967 1.00 0.00 H new ATOM 346 N LYS A 24 -9.562 8.298 5.125 1.00 0.00 N ATOM 347 CA LYS A 24 -10.285 9.554 5.021 1.00 0.00 C ATOM 348 C LYS A 24 -9.355 10.706 5.406 1.00 0.00 C ATOM 349 O LYS A 24 -8.316 10.488 6.029 1.00 0.00 O ATOM 350 CB LYS A 24 -11.573 9.502 5.844 1.00 0.00 C ATOM 351 CG LYS A 24 -12.804 9.473 4.936 1.00 0.00 C ATOM 352 CD LYS A 24 -13.946 10.297 5.533 1.00 0.00 C ATOM 353 CE LYS A 24 -15.276 9.548 5.427 1.00 0.00 C ATOM 354 NZ LYS A 24 -15.883 9.756 4.094 1.00 0.00 N ATOM 0 H LYS A 24 -9.620 7.848 6.038 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.600 9.728 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.566 8.618 6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.623 10.369 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.544 9.865 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.130 8.443 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.732 10.518 6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.020 11.252 5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.115 8.484 5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.959 9.896 6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.540 8.977 3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.401 10.658 4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.135 9.780 3.372 1.00 0.00 H new ATOM 368 N VAL A 25 -9.761 11.907 5.021 1.00 0.00 N ATOM 369 CA VAL A 25 -8.976 13.093 5.318 1.00 0.00 C ATOM 370 C VAL A 25 -9.912 14.219 5.764 1.00 0.00 C ATOM 371 O VAL A 25 -11.008 14.369 5.228 1.00 0.00 O ATOM 372 CB VAL A 25 -8.120 13.472 4.108 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.130 14.583 4.463 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.393 12.248 3.546 1.00 0.00 C ATOM 0 H VAL A 25 -10.623 12.084 4.506 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.286 12.898 6.139 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.785 13.852 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.534 14.833 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.677 15.466 4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.473 14.243 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.792 12.545 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.745 11.825 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.124 11.501 3.237 1.00 0.00 H new ATOM 384 N GLN A 26 -9.444 14.981 6.742 1.00 0.00 N ATOM 385 CA GLN A 26 -10.225 16.088 7.267 1.00 0.00 C ATOM 386 C GLN A 26 -9.499 17.413 7.023 1.00 0.00 C ATOM 387 O GLN A 26 -9.001 18.033 7.962 1.00 0.00 O ATOM 388 CB GLN A 26 -10.525 15.892 8.754 1.00 0.00 C ATOM 389 CG GLN A 26 -11.985 15.491 8.971 1.00 0.00 C ATOM 390 CD GLN A 26 -12.535 16.102 10.262 1.00 0.00 C ATOM 391 OE1 GLN A 26 -11.834 16.751 11.021 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.827 15.860 10.468 1.00 0.00 N ATOM 0 H GLN A 26 -8.534 14.853 7.184 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.178 16.116 6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.869 15.124 9.163 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.313 16.814 9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.586 15.820 8.124 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.065 14.405 9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.357 15.309 9.793 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.288 16.225 11.301 1.00 0.00 H new ATOM 401 N LYS A 27 -9.461 17.806 5.759 1.00 0.00 N ATOM 402 CA LYS A 27 -8.803 19.046 5.381 1.00 0.00 C ATOM 403 C LYS A 27 -9.517 20.222 6.050 1.00 0.00 C ATOM 404 O LYS A 27 -9.287 20.506 7.224 1.00 0.00 O ATOM 405 CB LYS A 27 -8.718 19.164 3.858 1.00 0.00 C ATOM 406 CG LYS A 27 -7.378 18.636 3.341 1.00 0.00 C ATOM 407 CD LYS A 27 -7.573 17.369 2.505 1.00 0.00 C ATOM 408 CE LYS A 27 -6.375 17.130 1.584 1.00 0.00 C ATOM 409 NZ LYS A 27 -6.613 15.954 0.719 1.00 0.00 N ATOM 0 H LYS A 27 -9.875 17.289 4.983 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.773 19.054 5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.534 18.605 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.841 20.206 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.889 19.402 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.718 18.423 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.706 16.511 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.482 17.458 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.200 18.012 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.476 16.974 2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.718 15.662 0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.988 15.171 1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.301 16.201 -0.021 1.00 0.00 H new ATOM 423 N GLY A 28 -10.370 20.874 5.273 1.00 0.00 N ATOM 424 CA GLY A 28 -11.119 22.013 5.776 1.00 0.00 C ATOM 425 C GLY A 28 -10.731 23.295 5.035 1.00 0.00 C ATOM 426 O GLY A 28 -11.578 23.942 4.421 1.00 0.00 O ATOM 0 H GLY A 28 -10.559 20.635 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.187 21.830 5.659 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.931 22.134 6.843 1.00 0.00 H new ATOM 430 N SER A 29 -9.450 23.623 5.117 1.00 0.00 N ATOM 431 CA SER A 29 -8.940 24.816 4.462 1.00 0.00 C ATOM 432 C SER A 29 -7.412 24.771 4.411 1.00 0.00 C ATOM 433 O SER A 29 -6.752 25.802 4.537 1.00 0.00 O ATOM 434 CB SER A 29 -9.410 26.082 5.181 1.00 0.00 C ATOM 435 OG SER A 29 -10.349 26.820 4.403 1.00 0.00 O ATOM 0 H SER A 29 -8.750 23.084 5.627 1.00 0.00 H new ATOM 0 HA SER A 29 -9.331 24.842 3.445 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.863 25.810 6.135 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.550 26.713 5.405 1.00 0.00 H new ATOM 0 HG SER A 29 -11.081 26.230 4.128 1.00 0.00 H new ATOM 441 N GLU A 30 -6.893 23.566 4.224 1.00 0.00 N ATOM 442 CA GLU A 30 -5.454 23.373 4.154 1.00 0.00 C ATOM 443 C GLU A 30 -5.118 22.232 3.193 1.00 0.00 C ATOM 444 O GLU A 30 -5.962 21.383 2.912 1.00 0.00 O ATOM 445 CB GLU A 30 -4.868 23.112 5.543 1.00 0.00 C ATOM 446 CG GLU A 30 -5.519 21.889 6.192 1.00 0.00 C ATOM 447 CD GLU A 30 -6.726 22.296 7.040 1.00 0.00 C ATOM 448 OE1 GLU A 30 -6.502 22.617 8.227 1.00 0.00 O ATOM 449 OE2 GLU A 30 -7.844 22.277 6.482 1.00 0.00 O ATOM 0 H GLU A 30 -7.443 22.714 4.119 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.002 24.288 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.792 22.957 5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.018 23.987 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.833 21.187 5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.790 21.372 6.816 1.00 0.00 H new ATOM 456 N PRO A 31 -3.850 22.249 2.701 1.00 0.00 N ATOM 457 CA PRO A 31 -3.391 21.225 1.777 1.00 0.00 C ATOM 458 C PRO A 31 -3.128 19.906 2.507 1.00 0.00 C ATOM 459 O PRO A 31 -3.158 19.855 3.735 1.00 0.00 O ATOM 460 CB PRO A 31 -2.143 21.807 1.134 1.00 0.00 C ATOM 461 CG PRO A 31 -1.686 22.930 2.050 1.00 0.00 C ATOM 462 CD PRO A 31 -2.823 23.239 3.012 1.00 0.00 C ATOM 0 HA PRO A 31 -4.135 20.977 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.367 21.048 1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.358 22.182 0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.791 22.635 2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.426 23.815 1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.497 23.159 4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.196 24.254 2.872 1.00 0.00 H new ATOM 470 N LEU A 32 -2.876 18.871 1.719 1.00 0.00 N ATOM 471 CA LEU A 32 -2.608 17.556 2.274 1.00 0.00 C ATOM 472 C LEU A 32 -1.261 17.578 2.999 1.00 0.00 C ATOM 473 O LEU A 32 -1.188 17.278 4.190 1.00 0.00 O ATOM 474 CB LEU A 32 -2.703 16.485 1.185 1.00 0.00 C ATOM 475 CG LEU A 32 -2.787 15.037 1.673 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.017 14.829 2.560 1.00 0.00 C ATOM 477 CD2 LEU A 32 -2.757 14.060 0.497 1.00 0.00 C ATOM 0 H LEU A 32 -2.852 18.917 0.700 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.364 17.293 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.582 16.693 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.833 16.578 0.535 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.909 14.831 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.054 13.792 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.956 15.487 3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.918 15.059 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.818 13.038 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.603 14.257 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.828 14.188 -0.059 1.00 0.00 H new ATOM 489 N GLY A 33 -0.228 17.935 2.250 1.00 0.00 N ATOM 490 CA GLY A 33 1.113 18.000 2.807 1.00 0.00 C ATOM 491 C GLY A 33 1.814 16.644 2.706 1.00 0.00 C ATOM 492 O GLY A 33 2.171 16.049 3.722 1.00 0.00 O ATOM 0 H GLY A 33 -0.292 18.182 1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.695 18.755 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.063 18.311 3.851 1.00 0.00 H new ATOM 496 N ILE A 34 1.991 16.195 1.472 1.00 0.00 N ATOM 497 CA ILE A 34 2.644 14.921 1.226 1.00 0.00 C ATOM 498 C ILE A 34 3.253 14.927 -0.178 1.00 0.00 C ATOM 499 O ILE A 34 2.796 15.661 -1.053 1.00 0.00 O ATOM 500 CB ILE A 34 1.671 13.765 1.469 1.00 0.00 C ATOM 501 CG1 ILE A 34 0.469 13.853 0.526 1.00 0.00 C ATOM 502 CG2 ILE A 34 1.245 13.706 2.937 1.00 0.00 C ATOM 503 CD1 ILE A 34 0.343 12.585 -0.322 1.00 0.00 C ATOM 0 H ILE A 34 1.693 16.691 0.632 1.00 0.00 H new ATOM 0 HA ILE A 34 3.464 14.771 1.929 1.00 0.00 H new ATOM 0 HB ILE A 34 2.187 12.831 1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.442 13.999 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.576 14.721 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.554 12.876 3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.124 13.561 3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.753 14.639 3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.519 12.674 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.246 12.455 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.212 11.722 0.331 1.00 0.00 H new ATOM 515 N SER A 35 4.274 14.101 -0.349 1.00 0.00 N ATOM 516 CA SER A 35 4.950 14.002 -1.631 1.00 0.00 C ATOM 517 C SER A 35 4.544 12.708 -2.339 1.00 0.00 C ATOM 518 O SER A 35 4.389 11.669 -1.699 1.00 0.00 O ATOM 519 CB SER A 35 6.470 14.058 -1.458 1.00 0.00 C ATOM 520 OG SER A 35 7.132 14.419 -2.668 1.00 0.00 O ATOM 0 H SER A 35 4.650 13.494 0.379 1.00 0.00 H new ATOM 0 HA SER A 35 4.649 14.853 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.720 14.778 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.833 13.087 -1.122 1.00 0.00 H new ATOM 0 HG SER A 35 7.823 13.755 -2.874 1.00 0.00 H new ATOM 526 N ILE A 36 4.384 12.813 -3.650 1.00 0.00 N ATOM 527 CA ILE A 36 3.999 11.664 -4.451 1.00 0.00 C ATOM 528 C ILE A 36 4.886 11.595 -5.695 1.00 0.00 C ATOM 529 O ILE A 36 5.389 12.617 -6.161 1.00 0.00 O ATOM 530 CB ILE A 36 2.502 11.707 -4.765 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.167 12.887 -5.679 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.673 11.724 -3.479 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.097 12.444 -7.142 1.00 0.00 C ATOM 0 H ILE A 36 4.514 13.676 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 36 4.158 10.741 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 36 2.240 10.797 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.213 13.323 -5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.922 13.665 -5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.613 11.755 -3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.883 10.825 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.932 12.604 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.857 13.302 -7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.059 12.031 -7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.324 11.684 -7.255 1.00 0.00 H new ATOM 545 N VAL A 37 5.052 10.381 -6.199 1.00 0.00 N ATOM 546 CA VAL A 37 5.870 10.165 -7.380 1.00 0.00 C ATOM 547 C VAL A 37 5.157 9.188 -8.317 1.00 0.00 C ATOM 548 O VAL A 37 4.406 8.325 -7.866 1.00 0.00 O ATOM 549 CB VAL A 37 7.265 9.690 -6.971 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.802 10.513 -5.798 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.261 8.197 -6.637 1.00 0.00 C ATOM 0 H VAL A 37 4.633 9.536 -5.810 1.00 0.00 H new ATOM 0 HA VAL A 37 6.006 11.099 -7.926 1.00 0.00 H new ATOM 0 HB VAL A 37 7.932 9.841 -7.820 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.795 10.155 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.861 11.562 -6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.133 10.409 -4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.265 7.886 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.573 8.011 -5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.942 7.629 -7.511 1.00 0.00 H new ATOM 561 N SER A 38 5.417 9.357 -9.605 1.00 0.00 N ATOM 562 CA SER A 38 4.810 8.501 -10.610 1.00 0.00 C ATOM 563 C SER A 38 5.789 7.399 -11.019 1.00 0.00 C ATOM 564 O SER A 38 6.999 7.619 -11.053 1.00 0.00 O ATOM 565 CB SER A 38 4.379 9.309 -11.835 1.00 0.00 C ATOM 566 OG SER A 38 3.777 8.488 -12.832 1.00 0.00 O ATOM 0 H SER A 38 6.040 10.074 -9.976 1.00 0.00 H new ATOM 0 HA SER A 38 3.919 8.045 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.675 10.083 -11.529 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.246 9.816 -12.258 1.00 0.00 H new ATOM 0 HG SER A 38 3.514 9.042 -13.597 1.00 0.00 H new ATOM 572 N GLY A 39 5.229 6.236 -11.320 1.00 0.00 N ATOM 573 CA GLY A 39 6.038 5.099 -11.726 1.00 0.00 C ATOM 574 C GLY A 39 6.095 4.983 -13.251 1.00 0.00 C ATOM 575 O GLY A 39 5.231 5.509 -13.950 1.00 0.00 O ATOM 0 H GLY A 39 4.225 6.057 -11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.047 5.205 -11.328 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.623 4.184 -11.303 1.00 0.00 H new ATOM 623 N GLY A 43 0.895 4.596 -11.891 1.00 0.00 N ATOM 624 CA GLY A 43 0.667 4.494 -10.459 1.00 0.00 C ATOM 625 C GLY A 43 1.376 5.623 -9.709 1.00 0.00 C ATOM 626 O GLY A 43 2.334 6.205 -10.216 1.00 0.00 O ATOM 0 HA2 GLY A 43 -0.403 4.532 -10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.027 3.531 -10.098 1.00 0.00 H new ATOM 630 N ILE A 44 0.877 5.900 -8.513 1.00 0.00 N ATOM 631 CA ILE A 44 1.451 6.950 -7.688 1.00 0.00 C ATOM 632 C ILE A 44 1.877 6.359 -6.342 1.00 0.00 C ATOM 633 O ILE A 44 1.215 5.466 -5.815 1.00 0.00 O ATOM 634 CB ILE A 44 0.479 8.125 -7.564 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.100 8.671 -8.942 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.049 9.214 -6.653 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.197 9.584 -9.491 1.00 0.00 C ATOM 0 H ILE A 44 0.082 5.416 -8.096 1.00 0.00 H new ATOM 0 HA ILE A 44 2.348 7.356 -8.156 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.437 7.763 -7.098 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.068 7.843 -9.631 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.837 9.224 -8.873 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.339 10.038 -6.582 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.227 8.801 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.988 9.580 -7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.902 9.958 -10.471 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.346 10.423 -8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.126 9.022 -9.582 1.00 0.00 H new ATOM 649 N TYR A 45 2.979 6.881 -5.825 1.00 0.00 N ATOM 650 CA TYR A 45 3.501 6.417 -4.551 1.00 0.00 C ATOM 651 C TYR A 45 4.040 7.584 -3.721 1.00 0.00 C ATOM 652 O TYR A 45 4.789 8.417 -4.229 1.00 0.00 O ATOM 653 CB TYR A 45 4.655 5.471 -4.888 1.00 0.00 C ATOM 654 CG TYR A 45 4.250 4.281 -5.760 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.117 4.439 -7.125 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.017 3.049 -5.183 1.00 0.00 C ATOM 657 CE1 TYR A 45 3.735 3.320 -7.946 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.635 1.930 -6.004 1.00 0.00 C ATOM 659 CZ TYR A 45 3.513 2.120 -7.345 1.00 0.00 C ATOM 660 OH TYR A 45 3.153 1.062 -8.120 1.00 0.00 O ATOM 0 H TYR A 45 3.525 7.621 -6.265 1.00 0.00 H new ATOM 0 HA TYR A 45 2.718 5.931 -3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.435 6.034 -5.400 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.088 5.098 -3.960 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.300 5.403 -7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.121 2.925 -4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.627 3.431 -9.015 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.449 0.961 -5.565 1.00 0.00 H new ATOM 0 HH TYR A 45 3.029 0.270 -7.556 1.00 0.00 H new ATOM 670 N VAL A 46 3.637 7.607 -2.459 1.00 0.00 N ATOM 671 CA VAL A 46 4.071 8.658 -1.554 1.00 0.00 C ATOM 672 C VAL A 46 5.599 8.682 -1.503 1.00 0.00 C ATOM 673 O VAL A 46 6.237 7.638 -1.376 1.00 0.00 O ATOM 674 CB VAL A 46 3.429 8.461 -0.179 1.00 0.00 C ATOM 675 CG1 VAL A 46 4.025 9.428 0.847 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.909 8.613 -0.257 1.00 0.00 C ATOM 0 H VAL A 46 3.015 6.915 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 46 3.743 9.633 -1.914 1.00 0.00 H new ATOM 0 HB VAL A 46 3.647 7.445 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.552 9.268 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.097 9.252 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.851 10.454 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.478 8.468 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.661 9.611 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.504 7.868 -0.942 1.00 0.00 H new ATOM 686 N SER A 47 6.144 9.886 -1.603 1.00 0.00 N ATOM 687 CA SER A 47 7.586 10.060 -1.570 1.00 0.00 C ATOM 688 C SER A 47 8.007 10.679 -0.235 1.00 0.00 C ATOM 689 O SER A 47 9.175 10.609 0.144 1.00 0.00 O ATOM 690 CB SER A 47 8.063 10.932 -2.733 1.00 0.00 C ATOM 691 OG SER A 47 9.065 11.861 -2.329 1.00 0.00 O ATOM 0 H SER A 47 5.612 10.750 -1.707 1.00 0.00 H new ATOM 0 HA SER A 47 8.051 9.080 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.457 10.295 -3.525 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.215 11.473 -3.152 1.00 0.00 H new ATOM 0 HG SER A 47 9.344 12.397 -3.100 1.00 0.00 H new ATOM 697 N LYS A 48 7.033 11.271 0.440 1.00 0.00 N ATOM 698 CA LYS A 48 7.288 11.902 1.724 1.00 0.00 C ATOM 699 C LYS A 48 5.969 12.413 2.307 1.00 0.00 C ATOM 700 O LYS A 48 5.012 12.649 1.572 1.00 0.00 O ATOM 701 CB LYS A 48 8.360 12.985 1.585 1.00 0.00 C ATOM 702 CG LYS A 48 9.176 13.117 2.873 1.00 0.00 C ATOM 703 CD LYS A 48 9.642 14.559 3.081 1.00 0.00 C ATOM 704 CE LYS A 48 10.680 14.643 4.201 1.00 0.00 C ATOM 705 NZ LYS A 48 10.103 15.303 5.394 1.00 0.00 N ATOM 0 H LYS A 48 6.065 11.327 0.122 1.00 0.00 H new ATOM 0 HA LYS A 48 7.690 11.177 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.022 12.742 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.889 13.939 1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.573 12.800 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.040 12.454 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.069 14.944 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.787 15.190 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.024 13.642 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.552 15.199 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.821 15.352 6.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.797 16.265 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.285 14.756 5.732 1.00 0.00 H new ATOM 719 N VAL A 49 5.962 12.568 3.623 1.00 0.00 N ATOM 720 CA VAL A 49 4.777 13.046 4.314 1.00 0.00 C ATOM 721 C VAL A 49 5.163 14.201 5.240 1.00 0.00 C ATOM 722 O VAL A 49 6.307 14.291 5.682 1.00 0.00 O ATOM 723 CB VAL A 49 4.097 11.890 5.050 1.00 0.00 C ATOM 724 CG1 VAL A 49 3.576 12.341 6.416 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.973 11.287 4.206 1.00 0.00 C ATOM 0 H VAL A 49 6.759 12.371 4.229 1.00 0.00 H new ATOM 0 HA VAL A 49 4.049 13.431 3.601 1.00 0.00 H new ATOM 0 HB VAL A 49 4.844 11.113 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.097 11.501 6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.408 12.700 7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.851 13.144 6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.507 10.468 4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.227 12.053 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.383 10.911 3.269 1.00 0.00 H new ATOM 735 N THR A 50 4.186 15.055 5.508 1.00 0.00 N ATOM 736 CA THR A 50 4.409 16.200 6.374 1.00 0.00 C ATOM 737 C THR A 50 3.779 15.960 7.748 1.00 0.00 C ATOM 738 O THR A 50 2.568 15.773 7.855 1.00 0.00 O ATOM 739 CB THR A 50 3.866 17.442 5.665 1.00 0.00 C ATOM 740 OG1 THR A 50 4.717 17.595 4.533 1.00 0.00 O ATOM 741 CG2 THR A 50 4.088 18.722 6.474 1.00 0.00 C ATOM 0 H THR A 50 3.238 14.977 5.140 1.00 0.00 H new ATOM 0 HA THR A 50 5.472 16.354 6.561 1.00 0.00 H new ATOM 0 HB THR A 50 2.801 17.314 5.473 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.435 18.378 4.015 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.684 19.573 5.926 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.582 18.637 7.436 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.156 18.869 6.637 1.00 0.00 H new ATOM 749 N VAL A 51 4.629 15.974 8.764 1.00 0.00 N ATOM 750 CA VAL A 51 4.170 15.761 10.126 1.00 0.00 C ATOM 751 C VAL A 51 3.334 16.962 10.572 1.00 0.00 C ATOM 752 O VAL A 51 3.733 18.109 10.373 1.00 0.00 O ATOM 753 CB VAL A 51 5.364 15.489 11.043 1.00 0.00 C ATOM 754 CG1 VAL A 51 4.946 15.531 12.515 1.00 0.00 C ATOM 755 CG2 VAL A 51 6.027 14.154 10.700 1.00 0.00 C ATOM 0 H VAL A 51 5.633 16.130 8.671 1.00 0.00 H new ATOM 0 HA VAL A 51 3.528 14.881 10.180 1.00 0.00 H new ATOM 0 HB VAL A 51 6.097 16.279 10.880 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.813 15.334 13.145 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.542 16.516 12.751 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.185 14.773 12.699 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.873 13.986 11.367 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.304 13.347 10.820 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.378 14.176 9.668 1.00 0.00 H new ATOM 765 N GLY A 52 2.191 16.658 11.168 1.00 0.00 N ATOM 766 CA GLY A 52 1.295 17.699 11.644 1.00 0.00 C ATOM 767 C GLY A 52 0.341 18.151 10.536 1.00 0.00 C ATOM 768 O GLY A 52 -0.677 18.784 10.809 1.00 0.00 O ATOM 0 H GLY A 52 1.864 15.706 11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.722 17.329 12.494 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.876 18.550 11.998 1.00 0.00 H new ATOM 772 N SER A 53 0.706 17.808 9.309 1.00 0.00 N ATOM 773 CA SER A 53 -0.105 18.171 8.159 1.00 0.00 C ATOM 774 C SER A 53 -1.321 17.247 8.064 1.00 0.00 C ATOM 775 O SER A 53 -1.330 16.165 8.649 1.00 0.00 O ATOM 776 CB SER A 53 0.712 18.107 6.867 1.00 0.00 C ATOM 777 OG SER A 53 0.831 19.384 6.247 1.00 0.00 O ATOM 0 H SER A 53 1.552 17.283 9.086 1.00 0.00 H new ATOM 0 HA SER A 53 -0.446 19.198 8.291 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.706 17.716 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.241 17.410 6.174 1.00 0.00 H new ATOM 0 HG SER A 53 0.186 19.452 5.512 1.00 0.00 H new ATOM 783 N ILE A 54 -2.318 17.709 7.323 1.00 0.00 N ATOM 784 CA ILE A 54 -3.536 16.938 7.144 1.00 0.00 C ATOM 785 C ILE A 54 -3.183 15.453 7.029 1.00 0.00 C ATOM 786 O ILE A 54 -3.587 14.648 7.866 1.00 0.00 O ATOM 787 CB ILE A 54 -4.340 17.473 5.957 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.772 18.921 6.196 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.530 16.563 5.645 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.612 19.039 7.469 1.00 0.00 C ATOM 0 H ILE A 54 -2.307 18.607 6.840 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.185 17.045 8.013 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.695 17.470 5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.892 19.558 6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.347 19.278 5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.084 16.966 4.797 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.170 15.564 5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.185 16.510 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.906 20.078 7.616 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.504 18.419 7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.025 18.704 8.324 1.00 0.00 H new ATOM 802 N ALA A 55 -2.433 15.136 5.984 1.00 0.00 N ATOM 803 CA ALA A 55 -2.021 13.763 5.748 1.00 0.00 C ATOM 804 C ALA A 55 -1.713 13.090 7.087 1.00 0.00 C ATOM 805 O ALA A 55 -2.432 12.187 7.512 1.00 0.00 O ATOM 806 CB ALA A 55 -0.822 13.745 4.797 1.00 0.00 C ATOM 0 H ALA A 55 -2.100 15.806 5.291 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.823 13.199 5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.513 12.715 4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.101 14.208 3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.004 14.300 5.242 1.00 0.00 H new ATOM 812 N HIS A 56 -0.643 13.555 7.714 1.00 0.00 N ATOM 813 CA HIS A 56 -0.231 13.010 8.997 1.00 0.00 C ATOM 814 C HIS A 56 -1.466 12.709 9.847 1.00 0.00 C ATOM 815 O HIS A 56 -1.607 11.608 10.376 1.00 0.00 O ATOM 816 CB HIS A 56 0.756 13.948 9.695 1.00 0.00 C ATOM 817 CG HIS A 56 1.364 13.375 10.952 1.00 0.00 C ATOM 818 ND1 HIS A 56 0.994 13.789 12.220 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.319 12.416 11.124 1.00 0.00 C ATOM 820 CE1 HIS A 56 1.701 13.104 13.107 1.00 0.00 C ATOM 821 NE2 HIS A 56 2.522 12.254 12.425 1.00 0.00 N ATOM 0 H HIS A 56 -0.048 14.303 7.358 1.00 0.00 H new ATOM 0 HA HIS A 56 0.299 12.070 8.843 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.556 14.200 8.999 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.244 14.878 9.943 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.824 11.879 10.335 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.638 13.201 14.181 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.183 11.601 12.846 1.00 0.00 H new ATOM 829 N GLN A 57 -2.330 13.709 9.953 1.00 0.00 N ATOM 830 CA GLN A 57 -3.549 13.565 10.731 1.00 0.00 C ATOM 831 C GLN A 57 -4.375 12.388 10.209 1.00 0.00 C ATOM 832 O GLN A 57 -4.850 11.564 10.990 1.00 0.00 O ATOM 833 CB GLN A 57 -4.366 14.859 10.713 1.00 0.00 C ATOM 834 CG GLN A 57 -3.478 16.072 10.997 1.00 0.00 C ATOM 835 CD GLN A 57 -4.306 17.247 11.519 1.00 0.00 C ATOM 836 OE1 GLN A 57 -4.437 18.280 10.883 1.00 0.00 O ATOM 837 NE2 GLN A 57 -4.856 17.034 12.711 1.00 0.00 N ATOM 0 H GLN A 57 -2.210 14.621 9.513 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.275 13.361 11.766 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.848 14.976 9.742 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.160 14.803 11.458 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.716 15.806 11.729 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.956 16.366 10.086 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.707 16.146 13.190 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.427 17.759 13.146 1.00 0.00 H new ATOM 846 N ALA A 58 -4.522 12.346 8.893 1.00 0.00 N ATOM 847 CA ALA A 58 -5.283 11.283 8.259 1.00 0.00 C ATOM 848 C ALA A 58 -4.649 9.933 8.600 1.00 0.00 C ATOM 849 O ALA A 58 -5.345 8.926 8.709 1.00 0.00 O ATOM 850 CB ALA A 58 -5.348 11.532 6.750 1.00 0.00 C ATOM 0 H ALA A 58 -4.127 13.031 8.248 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.307 11.269 8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.919 10.735 6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.833 12.489 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.338 11.550 6.340 1.00 0.00 H new ATOM 856 N GLY A 59 -3.334 9.957 8.760 1.00 0.00 N ATOM 857 CA GLY A 59 -2.597 8.748 9.088 1.00 0.00 C ATOM 858 C GLY A 59 -1.951 8.145 7.839 1.00 0.00 C ATOM 859 O GLY A 59 -1.885 6.925 7.697 1.00 0.00 O ATOM 0 H GLY A 59 -2.760 10.795 8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.828 8.975 9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.269 8.020 9.542 1.00 0.00 H new ATOM 863 N LEU A 60 -1.489 9.028 6.966 1.00 0.00 N ATOM 864 CA LEU A 60 -0.850 8.598 5.734 1.00 0.00 C ATOM 865 C LEU A 60 0.615 8.257 6.016 1.00 0.00 C ATOM 866 O LEU A 60 1.095 8.445 7.133 1.00 0.00 O ATOM 867 CB LEU A 60 -1.036 9.650 4.638 1.00 0.00 C ATOM 868 CG LEU A 60 -2.408 9.678 3.961 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.585 10.953 3.134 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.633 8.416 3.126 1.00 0.00 C ATOM 0 H LEU A 60 -1.544 10.039 7.087 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.322 7.691 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.846 10.633 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.278 9.486 3.872 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.173 9.690 4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.568 10.948 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.498 11.823 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.815 10.997 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.615 8.461 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.865 8.348 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.579 7.539 3.771 1.00 0.00 H new ATOM 882 N GLU A 61 1.283 7.762 4.985 1.00 0.00 N ATOM 883 CA GLU A 61 2.683 7.393 5.108 1.00 0.00 C ATOM 884 C GLU A 61 3.301 7.186 3.724 1.00 0.00 C ATOM 885 O GLU A 61 2.603 7.247 2.713 1.00 0.00 O ATOM 886 CB GLU A 61 2.846 6.143 5.974 1.00 0.00 C ATOM 887 CG GLU A 61 2.186 4.930 5.316 1.00 0.00 C ATOM 888 CD GLU A 61 1.288 4.188 6.309 1.00 0.00 C ATOM 889 OE1 GLU A 61 1.829 3.754 7.348 1.00 0.00 O ATOM 890 OE2 GLU A 61 0.081 4.073 6.005 1.00 0.00 O ATOM 0 H GLU A 61 0.881 7.608 4.060 1.00 0.00 H new ATOM 0 HA GLU A 61 3.212 8.208 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.905 5.943 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.403 6.315 6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.596 5.253 4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.953 4.254 4.939 1.00 0.00 H new ATOM 897 N TYR A 62 4.604 6.944 3.723 1.00 0.00 N ATOM 898 CA TYR A 62 5.324 6.728 2.480 1.00 0.00 C ATOM 899 C TYR A 62 5.220 5.268 2.033 1.00 0.00 C ATOM 900 O TYR A 62 5.080 4.370 2.862 1.00 0.00 O ATOM 901 CB TYR A 62 6.789 7.054 2.778 1.00 0.00 C ATOM 902 CG TYR A 62 7.744 6.736 1.626 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.993 5.424 1.277 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.358 7.762 0.936 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.892 5.126 0.193 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.257 7.463 -0.149 1.00 0.00 C ATOM 907 CZ TYR A 62 9.480 6.160 -0.467 1.00 0.00 C ATOM 908 OH TYR A 62 10.329 5.878 -1.491 1.00 0.00 O ATOM 0 H TYR A 62 5.179 6.893 4.564 1.00 0.00 H new ATOM 0 HA TYR A 62 4.911 7.349 1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.872 8.113 3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.102 6.496 3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.513 4.621 1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.164 8.789 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.095 4.104 -0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.743 8.256 -0.698 1.00 0.00 H new ATOM 0 HH TYR A 62 10.673 6.714 -1.870 1.00 0.00 H new ATOM 918 N GLY A 63 5.292 5.076 0.724 1.00 0.00 N ATOM 919 CA GLY A 63 5.207 3.741 0.157 1.00 0.00 C ATOM 920 C GLY A 63 3.749 3.321 -0.041 1.00 0.00 C ATOM 921 O GLY A 63 3.475 2.266 -0.611 1.00 0.00 O ATOM 0 H GLY A 63 5.408 5.823 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.730 3.714 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.708 3.030 0.814 1.00 0.00 H new ATOM 925 N ASP A 64 2.852 4.169 0.441 1.00 0.00 N ATOM 926 CA ASP A 64 1.429 3.898 0.324 1.00 0.00 C ATOM 927 C ASP A 64 0.979 4.170 -1.113 1.00 0.00 C ATOM 928 O ASP A 64 1.013 5.311 -1.572 1.00 0.00 O ATOM 929 CB ASP A 64 0.618 4.804 1.253 1.00 0.00 C ATOM 930 CG ASP A 64 -0.009 4.100 2.458 1.00 0.00 C ATOM 931 OD1 ASP A 64 0.221 2.877 2.583 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.703 4.799 3.226 1.00 0.00 O ATOM 0 H ASP A 64 3.083 5.043 0.913 1.00 0.00 H new ATOM 0 HA ASP A 64 1.260 2.857 0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.267 5.602 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.176 5.276 0.674 1.00 0.00 H new ATOM 937 N GLN A 65 0.568 3.104 -1.782 1.00 0.00 N ATOM 938 CA GLN A 65 0.112 3.213 -3.158 1.00 0.00 C ATOM 939 C GLN A 65 -1.319 3.753 -3.201 1.00 0.00 C ATOM 940 O GLN A 65 -2.251 3.088 -2.751 1.00 0.00 O ATOM 941 CB GLN A 65 0.212 1.867 -3.877 1.00 0.00 C ATOM 942 CG GLN A 65 0.107 2.046 -5.393 1.00 0.00 C ATOM 943 CD GLN A 65 -0.882 1.047 -5.996 1.00 0.00 C ATOM 944 OE1 GLN A 65 -1.395 0.163 -5.330 1.00 0.00 O ATOM 945 NE2 GLN A 65 -1.120 1.236 -7.291 1.00 0.00 N ATOM 0 H GLN A 65 0.541 2.160 -1.397 1.00 0.00 H new ATOM 0 HA GLN A 65 0.761 3.916 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.159 1.387 -3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.581 1.205 -3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.213 3.063 -5.621 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.088 1.911 -5.848 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.657 1.996 -7.789 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.766 0.621 -7.786 1.00 0.00 H new ATOM 954 N LEU A 66 -1.449 4.953 -3.746 1.00 0.00 N ATOM 955 CA LEU A 66 -2.751 5.590 -3.854 1.00 0.00 C ATOM 956 C LEU A 66 -3.508 4.994 -5.043 1.00 0.00 C ATOM 957 O LEU A 66 -2.989 4.955 -6.157 1.00 0.00 O ATOM 958 CB LEU A 66 -2.600 7.111 -3.920 1.00 0.00 C ATOM 959 CG LEU A 66 -1.588 7.727 -2.952 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.091 9.080 -3.466 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.171 7.829 -1.541 1.00 0.00 C ATOM 0 H LEU A 66 -0.674 5.502 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.348 5.391 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.314 7.384 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.574 7.562 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.723 7.066 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.373 9.496 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.611 8.947 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.935 9.762 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.431 8.270 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.062 8.456 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.435 6.834 -1.184 1.00 0.00 H new ATOM 973 N LEU A 67 -4.723 4.546 -4.765 1.00 0.00 N ATOM 974 CA LEU A 67 -5.557 3.954 -5.797 1.00 0.00 C ATOM 975 C LEU A 67 -6.500 5.021 -6.358 1.00 0.00 C ATOM 976 O LEU A 67 -6.494 5.290 -7.558 1.00 0.00 O ATOM 977 CB LEU A 67 -6.278 2.717 -5.260 1.00 0.00 C ATOM 978 CG LEU A 67 -5.500 1.874 -4.247 1.00 0.00 C ATOM 979 CD1 LEU A 67 -6.438 1.282 -3.192 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.674 0.796 -4.949 1.00 0.00 C ATOM 0 H LEU A 67 -5.150 4.581 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.944 3.601 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.211 3.037 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.544 2.081 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.799 2.527 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.860 0.687 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.943 2.089 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.179 0.648 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.131 0.212 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.337 0.140 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.964 1.267 -5.629 1.00 0.00 H new ATOM 992 N GLU A 68 -7.288 5.598 -5.463 1.00 0.00 N ATOM 993 CA GLU A 68 -8.234 6.629 -5.853 1.00 0.00 C ATOM 994 C GLU A 68 -8.149 7.818 -4.894 1.00 0.00 C ATOM 995 O GLU A 68 -7.383 7.791 -3.933 1.00 0.00 O ATOM 996 CB GLU A 68 -9.658 6.072 -5.911 1.00 0.00 C ATOM 997 CG GLU A 68 -9.825 5.115 -7.093 1.00 0.00 C ATOM 998 CD GLU A 68 -11.142 4.343 -6.992 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.137 3.299 -6.305 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -12.125 4.815 -7.604 1.00 0.00 O ATOM 0 H GLU A 68 -7.291 5.371 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.973 6.975 -6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.886 5.551 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.370 6.893 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.799 5.677 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.990 4.415 -7.119 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.947 8.834 -5.190 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.972 10.030 -4.366 1.00 0.00 C ATOM 1009 C PHE A 69 -10.336 10.720 -4.441 1.00 0.00 C ATOM 1010 O PHE A 69 -10.608 11.465 -5.381 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.905 10.977 -4.920 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.774 12.289 -4.145 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.591 13.336 -4.438 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.842 12.409 -3.162 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.470 14.555 -3.719 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.721 13.627 -2.443 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.537 14.675 -2.736 1.00 0.00 C ATOM 0 H PHE A 69 -9.581 8.853 -5.989 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.784 9.768 -3.325 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.942 10.466 -4.914 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.140 11.203 -5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.332 13.241 -5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.194 11.577 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.118 15.386 -3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.980 13.722 -1.663 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.444 15.602 -2.189 1.00 0.00 H new ATOM 1027 N ASN A 70 -11.158 10.446 -3.438 1.00 0.00 N ATOM 1028 CA ASN A 70 -12.487 11.030 -3.379 1.00 0.00 C ATOM 1029 C ASN A 70 -13.269 10.637 -4.634 1.00 0.00 C ATOM 1030 O ASN A 70 -14.274 11.264 -4.965 1.00 0.00 O ATOM 1031 CB ASN A 70 -12.415 12.558 -3.325 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.949 13.085 -1.992 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.369 12.340 -1.123 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.910 14.410 -1.880 1.00 0.00 N ATOM 0 H ASN A 70 -10.929 9.827 -2.660 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.978 10.660 -2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.383 12.882 -3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.993 12.982 -4.146 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.244 14.860 -1.028 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.546 14.976 -2.646 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.777 9.602 -5.298 1.00 0.00 N ATOM 1042 CA GLY A 71 -13.418 9.118 -6.509 1.00 0.00 C ATOM 1043 C GLY A 71 -12.429 9.084 -7.676 1.00 0.00 C ATOM 1044 O GLY A 71 -12.546 8.247 -8.570 1.00 0.00 O ATOM 0 H GLY A 71 -11.942 9.085 -5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.819 8.119 -6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.261 9.761 -6.761 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.476 10.004 -7.630 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.468 10.090 -8.672 1.00 0.00 C ATOM 1050 C ILE A 72 -9.654 8.795 -8.697 1.00 0.00 C ATOM 1051 O ILE A 72 -9.612 8.065 -7.708 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.616 11.348 -8.491 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.301 12.568 -9.110 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.206 11.140 -9.046 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.341 13.735 -8.120 1.00 0.00 C ATOM 0 H ILE A 72 -11.381 10.696 -6.887 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.939 10.190 -9.650 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.516 11.542 -7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.769 12.870 -10.012 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.316 12.306 -9.411 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.622 12.049 -8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.726 10.315 -8.520 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.264 10.908 -10.109 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.833 14.590 -8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.895 13.438 -7.229 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.324 14.010 -7.840 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.028 8.548 -9.838 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.218 7.353 -10.005 1.00 0.00 C ATOM 1069 C ASN A 73 -6.740 7.746 -10.042 1.00 0.00 C ATOM 1070 O ASN A 73 -6.254 8.254 -11.051 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.551 6.640 -11.317 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.407 5.124 -11.169 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -7.353 4.551 -11.389 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -9.522 4.510 -10.785 1.00 0.00 N ATOM 0 H ASN A 73 -9.065 9.155 -10.657 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.426 6.685 -9.169 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.569 6.884 -11.620 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.890 6.996 -12.107 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.529 3.498 -10.658 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.370 5.051 -10.618 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.065 7.495 -8.929 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.652 7.816 -8.822 1.00 0.00 C ATOM 1083 C LEU A 74 -3.828 6.673 -9.417 1.00 0.00 C ATOM 1084 O LEU A 74 -2.684 6.874 -9.823 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.287 8.149 -7.374 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.807 9.485 -6.841 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -4.593 9.594 -5.330 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -4.179 10.659 -7.595 1.00 0.00 C ATOM 0 H LEU A 74 -6.471 7.073 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.419 8.711 -9.399 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.665 7.353 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.201 8.142 -7.283 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.882 9.527 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.972 10.553 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.126 8.787 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.529 9.520 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.566 11.597 -7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.096 10.632 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.427 10.586 -8.654 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.440 5.499 -9.451 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.777 4.324 -9.990 1.00 0.00 C ATOM 1102 C ARG A 75 -3.297 4.594 -11.417 1.00 0.00 C ATOM 1103 O ARG A 75 -2.414 3.900 -11.920 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.715 3.115 -9.995 1.00 0.00 C ATOM 1105 CG ARG A 75 -4.129 1.962 -9.178 1.00 0.00 C ATOM 1106 CD ARG A 75 -3.255 1.060 -10.052 1.00 0.00 C ATOM 1107 NE ARG A 75 -3.826 -0.304 -10.101 1.00 0.00 N ATOM 1108 CZ ARG A 75 -3.341 -1.294 -10.862 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -2.273 -1.079 -11.641 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -3.924 -2.501 -10.843 1.00 0.00 N ATOM 0 H ARG A 75 -5.389 5.336 -9.114 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.922 4.103 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.684 3.400 -9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.887 2.788 -11.020 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.537 2.360 -8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.936 1.376 -8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.187 1.471 -11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.241 1.025 -9.653 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.640 -0.503 -9.519 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.828 -0.161 -11.655 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.904 -1.833 -12.220 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.737 -2.665 -10.249 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.555 -3.255 -11.422 1.00 0.00 H new ATOM 1124 N SER A 76 -3.898 5.603 -12.029 1.00 0.00 N ATOM 1125 CA SER A 76 -3.543 5.973 -13.389 1.00 0.00 C ATOM 1126 C SER A 76 -3.015 7.408 -13.419 1.00 0.00 C ATOM 1127 O SER A 76 -2.097 7.720 -14.177 1.00 0.00 O ATOM 1128 CB SER A 76 -4.740 5.827 -14.330 1.00 0.00 C ATOM 1129 OG SER A 76 -4.918 4.481 -14.763 1.00 0.00 O ATOM 0 H SER A 76 -4.629 6.177 -11.608 1.00 0.00 H new ATOM 0 HA SER A 76 -2.760 5.298 -13.734 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.643 6.167 -13.823 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.600 6.471 -15.198 1.00 0.00 H new ATOM 0 HG SER A 76 -5.693 4.429 -15.361 1.00 0.00 H new ATOM 1135 N ALA A 77 -3.617 8.244 -12.586 1.00 0.00 N ATOM 1136 CA ALA A 77 -3.219 9.639 -12.508 1.00 0.00 C ATOM 1137 C ALA A 77 -1.691 9.731 -12.525 1.00 0.00 C ATOM 1138 O ALA A 77 -1.004 8.733 -12.316 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.827 10.275 -11.257 1.00 0.00 C ATOM 0 H ALA A 77 -4.378 7.982 -11.959 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.593 10.193 -13.369 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.528 11.322 -11.199 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.914 10.210 -11.308 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.473 9.747 -10.372 1.00 0.00 H new ATOM 1145 N THR A 78 -1.206 10.938 -12.777 1.00 0.00 N ATOM 1146 CA THR A 78 0.227 11.173 -12.824 1.00 0.00 C ATOM 1147 C THR A 78 0.703 11.829 -11.526 1.00 0.00 C ATOM 1148 O THR A 78 -0.038 11.884 -10.546 1.00 0.00 O ATOM 1149 CB THR A 78 0.529 12.006 -14.072 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.587 12.884 -14.181 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.477 11.175 -15.356 1.00 0.00 C ATOM 0 H THR A 78 -1.780 11.763 -12.951 1.00 0.00 H new ATOM 0 HA THR A 78 0.779 10.236 -12.899 1.00 0.00 H new ATOM 0 HB THR A 78 1.514 12.463 -13.975 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.129 12.630 -14.957 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.698 11.813 -16.212 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.214 10.374 -15.301 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.518 10.746 -15.471 1.00 0.00 H new ATOM 1159 N GLU A 79 1.937 12.311 -11.562 1.00 0.00 N ATOM 1160 CA GLU A 79 2.520 12.961 -10.401 1.00 0.00 C ATOM 1161 C GLU A 79 2.091 14.429 -10.343 1.00 0.00 C ATOM 1162 O GLU A 79 1.842 14.964 -9.264 1.00 0.00 O ATOM 1163 CB GLU A 79 4.045 12.836 -10.411 1.00 0.00 C ATOM 1164 CG GLU A 79 4.613 13.162 -11.794 1.00 0.00 C ATOM 1165 CD GLU A 79 6.104 13.496 -11.710 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.809 12.764 -10.982 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.505 14.475 -12.375 1.00 0.00 O ATOM 0 H GLU A 79 2.549 12.264 -12.377 1.00 0.00 H new ATOM 0 HA GLU A 79 2.153 12.460 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.474 13.510 -9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.332 11.824 -10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.464 12.313 -12.462 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.072 14.005 -12.224 1.00 0.00 H new ATOM 1174 N GLN A 80 2.017 15.038 -11.517 1.00 0.00 N ATOM 1175 CA GLN A 80 1.623 16.433 -11.614 1.00 0.00 C ATOM 1176 C GLN A 80 0.133 16.586 -11.298 1.00 0.00 C ATOM 1177 O GLN A 80 -0.275 17.561 -10.670 1.00 0.00 O ATOM 1178 CB GLN A 80 1.952 17.002 -12.995 1.00 0.00 C ATOM 1179 CG GLN A 80 1.456 16.072 -14.104 1.00 0.00 C ATOM 1180 CD GLN A 80 2.623 15.547 -14.943 1.00 0.00 C ATOM 1181 OE1 GLN A 80 3.770 15.921 -14.760 1.00 0.00 O ATOM 1182 NE2 GLN A 80 2.267 14.663 -15.871 1.00 0.00 N ATOM 0 H GLN A 80 2.223 14.590 -12.410 1.00 0.00 H new ATOM 0 HA GLN A 80 2.191 17.003 -10.879 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.492 17.984 -13.106 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.029 17.142 -13.087 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.913 15.235 -13.665 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.754 16.606 -14.745 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.288 14.394 -15.970 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.973 14.254 -16.483 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.638 15.607 -11.750 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.073 15.621 -11.524 1.00 0.00 C ATOM 1193 C GLN A 81 -2.388 15.207 -10.085 1.00 0.00 C ATOM 1194 O GLN A 81 -3.309 15.741 -9.469 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.795 14.717 -12.525 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.406 15.536 -13.663 1.00 0.00 C ATOM 1197 CD GLN A 81 -2.854 15.090 -15.019 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -3.584 14.730 -15.927 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -1.527 15.135 -15.103 1.00 0.00 N ATOM 0 H GLN A 81 -0.296 14.800 -12.271 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.435 16.638 -11.676 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.095 13.988 -12.932 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.578 14.156 -12.015 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.490 15.425 -13.654 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.192 16.594 -13.510 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.976 15.447 -14.304 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.061 14.858 -15.967 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.605 14.259 -9.591 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.789 13.767 -8.237 1.00 0.00 C ATOM 1210 C ALA A 82 -1.428 14.873 -7.243 1.00 0.00 C ATOM 1211 O ALA A 82 -2.122 15.068 -6.247 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.949 12.505 -8.033 1.00 0.00 C ATOM 0 H ALA A 82 -0.842 13.819 -10.105 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.831 13.497 -8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.087 12.136 -7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.264 11.740 -8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.103 12.738 -8.194 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.344 15.570 -7.550 1.00 0.00 N ATOM 1219 CA ARG A 83 0.118 16.651 -6.697 1.00 0.00 C ATOM 1220 C ARG A 83 -0.908 17.787 -6.679 1.00 0.00 C ATOM 1221 O ARG A 83 -0.815 18.699 -5.859 1.00 0.00 O ATOM 1222 CB ARG A 83 1.464 17.197 -7.178 1.00 0.00 C ATOM 1223 CG ARG A 83 2.603 16.243 -6.814 1.00 0.00 C ATOM 1224 CD ARG A 83 3.888 16.613 -7.559 1.00 0.00 C ATOM 1225 NE ARG A 83 4.597 17.693 -6.838 1.00 0.00 N ATOM 1226 CZ ARG A 83 4.326 18.998 -6.983 1.00 0.00 C ATOM 1227 NH1 ARG A 83 3.359 19.391 -7.823 1.00 0.00 N ATOM 1228 NH2 ARG A 83 5.021 19.908 -6.288 1.00 0.00 N ATOM 0 H ARG A 83 0.228 15.407 -8.379 1.00 0.00 H new ATOM 0 HA ARG A 83 0.241 16.250 -5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.437 17.342 -8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.646 18.174 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.780 16.275 -5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.318 15.220 -7.060 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.533 15.738 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.651 16.936 -8.573 1.00 0.00 H new ATOM 0 HE ARG A 83 5.339 17.428 -6.190 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.830 18.698 -8.352 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.152 20.384 -7.934 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.757 19.608 -5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.815 20.901 -6.399 1.00 0.00 H new ATOM 1242 N LEU A 84 -1.862 17.694 -7.593 1.00 0.00 N ATOM 1243 CA LEU A 84 -2.904 18.702 -7.692 1.00 0.00 C ATOM 1244 C LEU A 84 -4.181 18.176 -7.034 1.00 0.00 C ATOM 1245 O LEU A 84 -4.737 18.821 -6.147 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.095 19.134 -9.148 1.00 0.00 C ATOM 1247 CG LEU A 84 -4.439 18.775 -9.783 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -5.592 19.474 -9.059 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -4.436 19.078 -11.283 1.00 0.00 C ATOM 0 H LEU A 84 -1.936 16.936 -8.272 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.615 19.603 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.966 20.215 -9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.302 18.686 -9.746 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.593 17.702 -9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.536 19.202 -9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.606 19.165 -8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.456 20.554 -9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.404 18.813 -11.710 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.249 20.140 -11.439 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.653 18.496 -11.770 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.609 17.010 -7.495 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.810 16.390 -6.963 1.00 0.00 C ATOM 1263 C ILE A 85 -5.764 16.429 -5.434 1.00 0.00 C ATOM 1264 O ILE A 85 -6.741 16.806 -4.789 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.987 14.983 -7.537 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -6.056 15.019 -9.065 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -7.205 14.290 -6.924 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.486 13.735 -9.671 1.00 0.00 C ATOM 0 H ILE A 85 -4.145 16.478 -8.231 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.695 16.948 -7.271 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.112 14.392 -7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.091 15.147 -9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.500 15.879 -9.437 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.308 13.292 -7.349 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.075 14.213 -5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.101 14.871 -7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.547 13.787 -10.758 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.444 13.623 -9.371 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.060 12.879 -9.316 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.619 16.033 -4.898 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.432 16.018 -3.457 1.00 0.00 C ATOM 1282 C ILE A 86 -4.378 17.456 -2.939 1.00 0.00 C ATOM 1283 O ILE A 86 -4.812 17.735 -1.822 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.205 15.183 -3.084 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.915 15.883 -3.515 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.309 13.769 -3.658 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.763 14.883 -3.638 1.00 0.00 C ATOM 0 H ILE A 86 -3.811 15.720 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.278 15.534 -2.968 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.173 15.088 -1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.070 16.383 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.656 16.654 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.424 13.197 -3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.198 13.280 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.378 13.822 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.142 15.407 -3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.594 14.402 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.015 14.127 -4.382 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.841 18.333 -3.775 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.724 19.736 -3.415 1.00 0.00 C ATOM 1301 C GLY A 87 -4.977 20.513 -3.823 1.00 0.00 C ATOM 1302 O GLY A 87 -4.888 21.663 -4.249 1.00 0.00 O ATOM 0 H GLY A 87 -3.482 18.099 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.569 19.828 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.849 20.168 -3.901 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.117 19.853 -3.679 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.387 20.467 -4.028 1.00 0.00 C ATOM 1308 C GLN A 88 -8.141 20.881 -2.762 1.00 0.00 C ATOM 1309 O GLN A 88 -7.609 20.782 -1.658 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.233 19.526 -4.887 1.00 0.00 C ATOM 1311 CG GLN A 88 -7.853 19.643 -6.365 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.101 19.737 -7.246 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -9.782 20.748 -7.295 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.360 18.631 -7.937 1.00 0.00 N ATOM 0 H GLN A 88 -6.188 18.899 -3.325 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.187 21.362 -4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.094 18.498 -4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.289 19.762 -4.760 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.230 20.525 -6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.259 18.779 -6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.748 17.820 -7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.171 18.594 -8.555 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.369 21.335 -2.966 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.202 21.765 -1.855 1.00 0.00 C ATOM 1325 C GLN A 89 -11.252 20.698 -1.536 1.00 0.00 C ATOM 1326 O GLN A 89 -11.729 20.004 -2.432 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.862 23.112 -2.154 1.00 0.00 C ATOM 1328 CG GLN A 89 -11.232 23.225 -3.634 1.00 0.00 C ATOM 1329 CD GLN A 89 -12.044 22.012 -4.091 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -13.069 21.670 -3.525 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -11.530 21.382 -5.144 1.00 0.00 N ATOM 0 H GLN A 89 -9.807 21.415 -3.884 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.567 21.896 -0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.757 23.226 -1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.184 23.921 -1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.808 24.136 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.326 23.307 -4.234 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.668 21.721 -5.571 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.998 20.560 -5.525 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.581 20.602 -0.256 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.566 19.633 0.192 1.00 0.00 C ATOM 1342 C CYS A 90 -12.384 19.425 1.697 1.00 0.00 C ATOM 1343 O CYS A 90 -11.395 18.837 2.132 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.458 18.317 -0.582 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.811 18.201 -1.809 1.00 0.00 S ATOM 0 H CYS A 90 -11.183 21.179 0.485 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.569 20.013 -0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.493 18.260 -1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.508 17.474 0.108 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.538 18.960 -2.829 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.355 19.920 2.451 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.315 19.796 3.899 1.00 0.00 C ATOM 1353 C ASP A 91 -12.988 18.349 4.274 1.00 0.00 C ATOM 1354 O ASP A 91 -12.165 18.104 5.154 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.668 20.151 4.519 1.00 0.00 C ATOM 1356 CG ASP A 91 -15.117 21.598 4.307 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -14.237 22.483 4.388 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -16.329 21.787 4.069 1.00 0.00 O ATOM 0 H ASP A 91 -14.174 20.407 2.087 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.555 20.480 4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.426 19.487 4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.623 19.954 5.590 1.00 0.00 H new ATOM 1363 N THR A 92 -13.649 17.430 3.587 1.00 0.00 N ATOM 1364 CA THR A 92 -13.439 16.014 3.836 1.00 0.00 C ATOM 1365 C THR A 92 -13.292 15.255 2.516 1.00 0.00 C ATOM 1366 O THR A 92 -14.223 15.211 1.714 1.00 0.00 O ATOM 1367 CB THR A 92 -14.596 15.509 4.701 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.659 16.443 5.776 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.280 14.177 5.383 1.00 0.00 C ATOM 0 H THR A 92 -14.331 17.638 2.858 1.00 0.00 H new ATOM 0 HA THR A 92 -12.509 15.842 4.378 1.00 0.00 H new ATOM 0 HB THR A 92 -15.488 15.398 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.384 16.192 6.385 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.134 13.864 5.984 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.073 13.421 4.626 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.408 14.295 6.026 1.00 0.00 H new ATOM 1377 N ILE A 93 -12.114 14.677 2.331 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.833 13.922 1.121 1.00 0.00 C ATOM 1379 C ILE A 93 -11.358 12.518 1.500 1.00 0.00 C ATOM 1380 O ILE A 93 -10.613 12.350 2.465 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.850 14.685 0.231 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -10.078 13.727 -0.679 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.914 15.558 1.069 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.769 13.282 -0.023 1.00 0.00 C ATOM 0 H ILE A 93 -11.343 14.716 2.998 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.739 13.802 0.527 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.421 15.353 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.693 12.855 -0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.865 14.216 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.226 16.089 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.501 16.279 1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.347 14.929 1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.240 12.602 -0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.146 14.154 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.987 12.772 0.915 1.00 0.00 H new ATOM 1396 N THR A 94 -11.809 11.546 0.721 1.00 0.00 N ATOM 1397 CA THR A 94 -11.439 10.161 0.963 1.00 0.00 C ATOM 1398 C THR A 94 -10.276 9.754 0.057 1.00 0.00 C ATOM 1399 O THR A 94 -10.109 10.305 -1.030 1.00 0.00 O ATOM 1400 CB THR A 94 -12.688 9.298 0.774 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.638 9.860 1.676 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.494 7.868 1.281 1.00 0.00 C ATOM 0 H THR A 94 -12.427 11.689 -0.078 1.00 0.00 H new ATOM 0 HA THR A 94 -11.080 10.020 1.983 1.00 0.00 H new ATOM 0 HB THR A 94 -12.957 9.275 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.542 9.595 1.406 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.410 7.299 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.675 7.397 0.737 1.00 0.00 H new ATOM 0 HG23 THR A 94 -12.258 7.888 2.345 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.502 8.791 0.537 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.360 8.304 -0.216 1.00 0.00 C ATOM 1412 C ILE A 95 -8.316 6.776 -0.137 1.00 0.00 C ATOM 1413 O ILE A 95 -8.664 6.194 0.889 1.00 0.00 O ATOM 1414 CB ILE A 95 -7.074 8.981 0.262 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -7.148 10.497 0.069 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.847 8.375 -0.424 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.940 11.190 0.702 1.00 0.00 C ATOM 0 H ILE A 95 -9.644 8.335 1.438 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.459 8.567 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.969 8.797 1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.189 10.730 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.066 10.880 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.947 8.874 -0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.789 7.312 -0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.931 8.507 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.017 12.267 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.916 10.975 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.025 10.823 0.237 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.887 6.171 -1.235 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.794 4.722 -1.302 1.00 0.00 C ATOM 1431 C LEU A 96 -6.325 4.315 -1.429 1.00 0.00 C ATOM 1432 O LEU A 96 -5.725 4.464 -2.492 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.681 4.180 -2.425 1.00 0.00 C ATOM 1434 CG LEU A 96 -9.413 2.870 -2.128 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.551 2.020 -3.393 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -8.728 2.104 -0.995 1.00 0.00 C ATOM 0 H LEU A 96 -7.600 6.657 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.172 4.273 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.423 4.939 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.063 4.035 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.421 3.111 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.075 1.094 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.116 2.573 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.561 1.786 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.268 1.177 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.701 1.874 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.725 2.715 -0.092 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.787 3.809 -0.329 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.400 3.379 -0.303 1.00 0.00 C ATOM 1450 C ALA A 97 -4.344 1.851 -0.278 1.00 0.00 C ATOM 1451 O ALA A 97 -5.375 1.190 -0.166 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.692 4.008 0.899 1.00 0.00 C ATOM 0 H ALA A 97 -6.287 3.687 0.551 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.879 3.713 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.651 3.685 0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.733 5.094 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.186 3.693 1.818 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.129 1.333 -0.385 1.00 0.00 N ATOM 1459 CA GLN A 98 -2.925 -0.106 -0.376 1.00 0.00 C ATOM 1460 C GLN A 98 -1.448 -0.431 -0.148 1.00 0.00 C ATOM 1461 O GLN A 98 -0.732 -0.776 -1.088 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.432 -0.739 -1.673 1.00 0.00 C ATOM 1463 CG GLN A 98 -3.747 -2.223 -1.472 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.351 -2.832 -2.739 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -4.569 -2.164 -3.737 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -4.607 -4.134 -2.645 1.00 0.00 N ATOM 0 H GLN A 98 -2.276 1.884 -0.478 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.501 -0.530 0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.327 -0.216 -2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.681 -0.626 -2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.836 -2.759 -1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.442 -2.342 -0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.400 -4.633 -1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.010 -4.633 -3.438 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.034 -0.311 1.105 1.00 0.00 N ATOM 1476 CA TYR A 99 0.345 -0.588 1.468 1.00 0.00 C ATOM 1477 C TYR A 99 0.842 -1.869 0.796 1.00 0.00 C ATOM 1478 O TYR A 99 0.204 -2.916 0.898 1.00 0.00 O ATOM 1479 CB TYR A 99 0.350 -0.787 2.985 1.00 0.00 C ATOM 1480 CG TYR A 99 1.727 -1.113 3.565 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.227 -2.397 3.477 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.471 -0.124 4.177 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.523 -2.704 4.023 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.767 -0.431 4.723 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.229 -1.706 4.619 1.00 0.00 C ATOM 1486 OH TYR A 99 5.454 -1.996 5.135 1.00 0.00 O ATOM 0 H TYR A 99 -1.630 -0.025 1.882 1.00 0.00 H new ATOM 0 HA TYR A 99 0.996 0.227 1.151 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.029 0.118 3.461 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.339 -1.593 3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.646 -3.171 2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.080 0.881 4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.926 -3.704 3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.359 0.334 5.204 1.00 0.00 H new ATOM 0 HH TYR A 99 5.843 -1.187 5.528 1.00 0.00 H new ATOM 1496 N ASN A 100 1.977 -1.745 0.123 1.00 0.00 N ATOM 1497 CA ASN A 100 2.567 -2.880 -0.566 1.00 0.00 C ATOM 1498 C ASN A 100 4.003 -3.078 -0.076 1.00 0.00 C ATOM 1499 O ASN A 100 4.861 -2.226 -0.299 1.00 0.00 O ATOM 1500 CB ASN A 100 2.610 -2.645 -2.077 1.00 0.00 C ATOM 1501 CG ASN A 100 3.391 -3.756 -2.782 1.00 0.00 C ATOM 1502 OD1 ASN A 100 3.615 -4.829 -2.246 1.00 0.00 O ATOM 1503 ND2 ASN A 100 3.792 -3.440 -4.010 1.00 0.00 N ATOM 0 H ASN A 100 2.504 -0.875 0.040 1.00 0.00 H new ATOM 0 HA ASN A 100 1.956 -3.758 -0.355 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.595 -2.603 -2.471 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.073 -1.681 -2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.321 -4.114 -4.563 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.570 -2.523 -4.399 1.00 0.00 H new ATOM 1510 N PRO A 101 4.225 -4.237 0.599 1.00 0.00 N ATOM 1511 CA PRO A 101 5.542 -4.558 1.122 1.00 0.00 C ATOM 1512 C PRO A 101 6.487 -4.990 -0.001 1.00 0.00 C ATOM 1513 O PRO A 101 7.079 -6.067 0.061 1.00 0.00 O ATOM 1514 CB PRO A 101 5.302 -5.651 2.150 1.00 0.00 C ATOM 1515 CG PRO A 101 3.930 -6.226 1.835 1.00 0.00 C ATOM 1516 CD PRO A 101 3.232 -5.269 0.882 1.00 0.00 C ATOM 0 HA PRO A 101 6.033 -3.700 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.071 -6.421 2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.334 -5.249 3.163 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.024 -7.214 1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.348 -6.348 2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.918 -5.777 -0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.336 -4.843 1.334 1.00 0.00 H new