USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 65 ASN : amide:sc= -0.858 K(o=-3.1,f=-4.9!) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -2.19 K(o=-3.1,f=-9.3!) USER MOD Set 2.1: A 45 THR OG1 : rot -72:sc= 0.681 USER MOD Set 2.2: A 84 GLN : amide:sc= -3.26 K(o=-2.6,f=-0.48) USER MOD Set 3.1: A 83 TYR OH : rot 30:sc= 0.0574 USER MOD Set 3.2: A 101 TYR OH : rot 153:sc= 0.0675 USER MOD Single : A 21 THR OG1 : rot 54:sc= -0.573 USER MOD Single : A 22 SER OG : rot -11:sc= 0.615 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0739) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 80:sc= -0.906 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 120:sc= -0.137 USER MOD Single : A 53 GLN : amide:sc= -1.72! X(o=-1.7!,f=-1.2) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 67 SER OG : rot 125:sc= 0.0736 USER MOD Single : A 70 SER OG : rot 22:sc= 0.205 USER MOD Single : A 71 THR OG1 : rot 160:sc= 0 USER MOD Single : A 73 CYS SG : rot -132:sc= 1.27 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -167:sc= 0.733 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 157:sc= -1.05 (180deg=-1.82!) USER MOD Single : A 100 THR OG1 : rot 42:sc= 0.183 USER MOD Single : A 108 ASN : amide:sc= -0.812 X(o=-0.81,f=-0.93!) USER MOD Single : A 109 SER OG : rot 13:sc= 0.896 USER MOD Single : A 112 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00268) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.159 USER MOD ----------------------------------------------------------------- ATOM 244 N VAL A 19 0.949 19.942 1.820 1.00 0.00 N ATOM 245 CA VAL A 19 1.488 19.207 0.682 1.00 0.00 C ATOM 246 C VAL A 19 0.394 18.874 -0.325 1.00 0.00 C ATOM 247 O VAL A 19 -0.788 18.833 0.017 1.00 0.00 O ATOM 248 CB VAL A 19 2.174 17.903 1.130 1.00 0.00 C ATOM 249 CG1 VAL A 19 1.153 16.934 1.708 1.00 0.00 C ATOM 250 CG2 VAL A 19 2.923 17.269 -0.033 1.00 0.00 C ATOM 0 HA VAL A 19 2.228 19.853 0.209 1.00 0.00 H new ATOM 0 HB VAL A 19 2.896 18.142 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.656 16.018 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.665 17.391 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.406 16.698 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.402 16.349 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.222 17.043 -0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.682 17.961 -0.398 1.00 0.00 H new ATOM 260 N ASP A 20 0.795 18.636 -1.569 1.00 0.00 N ATOM 261 CA ASP A 20 -0.151 18.304 -2.628 1.00 0.00 C ATOM 262 C ASP A 20 -0.524 16.825 -2.580 1.00 0.00 C ATOM 263 O ASP A 20 -1.703 16.471 -2.561 1.00 0.00 O ATOM 264 CB ASP A 20 0.438 18.650 -3.996 1.00 0.00 C ATOM 265 CG ASP A 20 1.097 20.015 -4.013 1.00 0.00 C ATOM 266 OD1 ASP A 20 2.163 20.169 -3.380 1.00 0.00 O ATOM 267 OD2 ASP A 20 0.548 20.930 -4.662 1.00 0.00 O ATOM 0 H ASP A 20 1.769 18.667 -1.869 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.054 18.894 -2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.170 17.893 -4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.352 18.622 -4.746 1.00 0.00 H new ATOM 272 N THR A 21 0.490 15.965 -2.561 1.00 0.00 N ATOM 273 CA THR A 21 0.270 14.525 -2.518 1.00 0.00 C ATOM 274 C THR A 21 -0.967 14.134 -3.318 1.00 0.00 C ATOM 275 O THR A 21 -1.844 13.430 -2.818 1.00 0.00 O ATOM 276 CB THR A 21 0.111 14.025 -1.070 1.00 0.00 C ATOM 277 OG1 THR A 21 -0.611 14.988 -0.295 1.00 0.00 O ATOM 278 CG2 THR A 21 1.468 13.769 -0.433 1.00 0.00 C ATOM 0 H THR A 21 1.472 16.241 -2.575 1.00 0.00 H new ATOM 0 HA THR A 21 1.149 14.057 -2.962 1.00 0.00 H new ATOM 0 HB THR A 21 -0.444 13.087 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.461 15.194 -0.738 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.329 13.417 0.589 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.003 13.013 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.045 14.693 -0.423 1.00 0.00 H new ATOM 286 N SER A 22 -1.031 14.594 -4.563 1.00 0.00 N ATOM 287 CA SER A 22 -2.163 14.294 -5.432 1.00 0.00 C ATOM 288 C SER A 22 -1.698 13.612 -6.715 1.00 0.00 C ATOM 289 O SER A 22 -2.511 13.194 -7.539 1.00 0.00 O ATOM 290 CB SER A 22 -2.927 15.576 -5.771 1.00 0.00 C ATOM 291 OG SER A 22 -3.925 15.332 -6.746 1.00 0.00 O ATOM 0 H SER A 22 -0.312 15.176 -4.993 1.00 0.00 H new ATOM 0 HA SER A 22 -2.827 13.613 -4.899 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.387 15.979 -4.868 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.232 16.331 -6.139 1.00 0.00 H new ATOM 0 HG SER A 22 -3.803 14.435 -7.122 1.00 0.00 H new ATOM 297 N ARG A 23 -0.383 13.503 -6.876 1.00 0.00 N ATOM 298 CA ARG A 23 0.192 12.873 -8.058 1.00 0.00 C ATOM 299 C ARG A 23 1.229 11.825 -7.666 1.00 0.00 C ATOM 300 O ARG A 23 2.144 11.525 -8.434 1.00 0.00 O ATOM 301 CB ARG A 23 0.833 13.927 -8.963 1.00 0.00 C ATOM 302 CG ARG A 23 -0.164 14.907 -9.559 1.00 0.00 C ATOM 303 CD ARG A 23 0.525 16.162 -10.070 1.00 0.00 C ATOM 304 NE ARG A 23 -0.388 17.022 -10.818 1.00 0.00 N ATOM 305 CZ ARG A 23 -0.711 16.821 -12.090 1.00 0.00 C ATOM 306 NH1 ARG A 23 -0.198 15.793 -12.753 1.00 0.00 N ATOM 307 NH2 ARG A 23 -1.549 17.647 -12.703 1.00 0.00 N ATOM 0 H ARG A 23 0.304 13.843 -6.203 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.612 12.377 -8.602 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.576 14.482 -8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.364 13.425 -9.772 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.702 14.428 -10.377 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.904 15.178 -8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.938 16.717 -9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.363 15.881 -10.708 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.800 17.821 -10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.446 15.155 -12.286 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.448 15.641 -13.730 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.947 18.438 -12.197 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.796 17.491 -13.680 1.00 0.00 H new ATOM 321 N ILE A 24 1.080 11.273 -6.467 1.00 0.00 N ATOM 322 CA ILE A 24 2.003 10.258 -5.973 1.00 0.00 C ATOM 323 C ILE A 24 1.651 8.881 -6.524 1.00 0.00 C ATOM 324 O ILE A 24 0.544 8.382 -6.322 1.00 0.00 O ATOM 325 CB ILE A 24 2.003 10.198 -4.434 1.00 0.00 C ATOM 326 CG1 ILE A 24 2.677 11.443 -3.854 1.00 0.00 C ATOM 327 CG2 ILE A 24 2.704 8.937 -3.954 1.00 0.00 C ATOM 328 CD1 ILE A 24 2.905 11.366 -2.360 1.00 0.00 C ATOM 0 H ILE A 24 0.329 11.511 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 24 2.998 10.541 -6.317 1.00 0.00 H new ATOM 0 HB ILE A 24 0.971 10.171 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.635 11.593 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.062 12.315 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.696 8.909 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.185 8.061 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.734 8.936 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.386 12.282 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.948 11.247 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.545 10.513 -2.133 1.00 0.00 H new ATOM 340 N LYS A 25 2.603 8.268 -7.221 1.00 0.00 N ATOM 341 CA LYS A 25 2.397 6.946 -7.800 1.00 0.00 C ATOM 342 C LYS A 25 3.262 5.904 -7.098 1.00 0.00 C ATOM 343 O LYS A 25 4.418 6.164 -6.765 1.00 0.00 O ATOM 344 CB LYS A 25 2.717 6.966 -9.296 1.00 0.00 C ATOM 345 CG LYS A 25 1.593 7.526 -10.151 1.00 0.00 C ATOM 346 CD LYS A 25 0.492 6.501 -10.365 1.00 0.00 C ATOM 347 CE LYS A 25 -0.756 7.140 -10.955 1.00 0.00 C ATOM 348 NZ LYS A 25 -1.490 7.956 -9.949 1.00 0.00 N ATOM 0 H LYS A 25 3.525 8.667 -7.398 1.00 0.00 H new ATOM 0 HA LYS A 25 1.350 6.676 -7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.616 7.560 -9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.941 5.951 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.178 8.413 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.991 7.841 -11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.849 5.715 -11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.245 6.027 -9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.477 7.770 -11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.414 6.362 -11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.428 8.205 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.601 7.408 -9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.955 8.825 -9.749 1.00 0.00 H new ATOM 362 N VAL A 26 2.695 4.722 -6.877 1.00 0.00 N ATOM 363 CA VAL A 26 3.415 3.640 -6.217 1.00 0.00 C ATOM 364 C VAL A 26 3.404 2.374 -7.066 1.00 0.00 C ATOM 365 O VAL A 26 2.353 1.941 -7.541 1.00 0.00 O ATOM 366 CB VAL A 26 2.811 3.324 -4.836 1.00 0.00 C ATOM 367 CG1 VAL A 26 2.999 4.499 -3.889 1.00 0.00 C ATOM 368 CG2 VAL A 26 1.339 2.965 -4.968 1.00 0.00 C ATOM 0 H VAL A 26 1.739 4.490 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 26 4.443 3.978 -6.087 1.00 0.00 H new ATOM 0 HB VAL A 26 3.335 2.464 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.566 4.257 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.063 4.704 -3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.503 5.379 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.928 2.745 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.798 3.803 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.234 2.090 -5.609 1.00 0.00 H new ATOM 378 N PHE A 27 4.579 1.783 -7.254 1.00 0.00 N ATOM 379 CA PHE A 27 4.705 0.566 -8.047 1.00 0.00 C ATOM 380 C PHE A 27 5.504 -0.494 -7.294 1.00 0.00 C ATOM 381 O PHE A 27 6.486 -0.184 -6.620 1.00 0.00 O ATOM 382 CB PHE A 27 5.378 0.872 -9.387 1.00 0.00 C ATOM 383 CG PHE A 27 6.475 1.893 -9.287 1.00 0.00 C ATOM 384 CD1 PHE A 27 7.765 1.512 -8.954 1.00 0.00 C ATOM 385 CD2 PHE A 27 6.217 3.233 -9.527 1.00 0.00 C ATOM 386 CE1 PHE A 27 8.777 2.450 -8.861 1.00 0.00 C ATOM 387 CE2 PHE A 27 7.224 4.175 -9.435 1.00 0.00 C ATOM 388 CZ PHE A 27 8.506 3.782 -9.103 1.00 0.00 C ATOM 0 H PHE A 27 5.458 2.127 -6.868 1.00 0.00 H new ATOM 0 HA PHE A 27 3.703 0.178 -8.232 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.788 -0.051 -9.798 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.625 1.227 -10.090 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.983 0.471 -8.765 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.217 3.545 -9.789 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.778 2.141 -8.599 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.009 5.217 -9.622 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.295 4.516 -9.033 1.00 0.00 H new ATOM 398 N GLY A 28 5.075 -1.746 -7.414 1.00 0.00 N ATOM 399 CA GLY A 28 5.761 -2.833 -6.739 1.00 0.00 C ATOM 400 C GLY A 28 4.801 -3.848 -6.152 1.00 0.00 C ATOM 401 O GLY A 28 3.603 -3.598 -6.021 1.00 0.00 O ATOM 0 H GLY A 28 4.265 -2.028 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.426 -3.332 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.386 -2.426 -5.944 1.00 0.00 H new ATOM 405 N PRO A 29 5.329 -5.026 -5.788 1.00 0.00 N ATOM 406 CA PRO A 29 4.528 -6.107 -5.206 1.00 0.00 C ATOM 407 C PRO A 29 4.044 -5.778 -3.798 1.00 0.00 C ATOM 408 O PRO A 29 2.911 -6.087 -3.432 1.00 0.00 O ATOM 409 CB PRO A 29 5.498 -7.291 -5.175 1.00 0.00 C ATOM 410 CG PRO A 29 6.851 -6.670 -5.127 1.00 0.00 C ATOM 411 CD PRO A 29 6.749 -5.394 -5.915 1.00 0.00 C ATOM 0 HA PRO A 29 3.621 -6.296 -5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.322 -7.924 -4.306 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.382 -7.921 -6.057 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.153 -6.471 -4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.601 -7.335 -5.556 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.402 -4.620 -5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.034 -5.541 -6.957 1.00 0.00 H new ATOM 419 N GLY A 30 4.912 -5.147 -3.012 1.00 0.00 N ATOM 420 CA GLY A 30 4.554 -4.786 -1.653 1.00 0.00 C ATOM 421 C GLY A 30 3.276 -3.973 -1.586 1.00 0.00 C ATOM 422 O GLY A 30 2.612 -3.933 -0.550 1.00 0.00 O ATOM 0 H GLY A 30 5.856 -4.880 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.436 -5.692 -1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.368 -4.215 -1.206 1.00 0.00 H new ATOM 426 N ILE A 31 2.932 -3.323 -2.692 1.00 0.00 N ATOM 427 CA ILE A 31 1.726 -2.507 -2.754 1.00 0.00 C ATOM 428 C ILE A 31 0.722 -3.084 -3.747 1.00 0.00 C ATOM 429 O ILE A 31 -0.473 -2.805 -3.668 1.00 0.00 O ATOM 430 CB ILE A 31 2.048 -1.055 -3.153 1.00 0.00 C ATOM 431 CG1 ILE A 31 0.845 -0.150 -2.884 1.00 0.00 C ATOM 432 CG2 ILE A 31 2.453 -0.985 -4.618 1.00 0.00 C ATOM 433 CD1 ILE A 31 0.550 0.042 -1.413 1.00 0.00 C ATOM 0 H ILE A 31 3.471 -3.345 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 31 1.290 -2.513 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 31 2.884 -0.705 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.024 0.824 -3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.034 -0.573 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.677 0.048 -4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.337 -1.602 -4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.635 -1.351 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.315 0.695 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.339 -0.924 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.413 0.494 -0.925 1.00 0.00 H new ATOM 445 N GLU A 32 1.218 -3.892 -4.679 1.00 0.00 N ATOM 446 CA GLU A 32 0.363 -4.509 -5.687 1.00 0.00 C ATOM 447 C GLU A 32 -0.211 -5.828 -5.179 1.00 0.00 C ATOM 448 O GLU A 32 -1.419 -6.054 -5.234 1.00 0.00 O ATOM 449 CB GLU A 32 1.149 -4.746 -6.978 1.00 0.00 C ATOM 450 CG GLU A 32 1.507 -3.467 -7.717 1.00 0.00 C ATOM 451 CD GLU A 32 0.414 -3.015 -8.664 1.00 0.00 C ATOM 452 OE1 GLU A 32 -0.775 -3.145 -8.305 1.00 0.00 O ATOM 453 OE2 GLU A 32 0.747 -2.530 -9.766 1.00 0.00 O ATOM 0 H GLU A 32 2.206 -4.134 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.463 -3.828 -5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.065 -5.287 -6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.563 -5.385 -7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.705 -2.677 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.428 -3.622 -8.279 1.00 0.00 H new ATOM 460 N GLY A 33 0.665 -6.697 -4.685 1.00 0.00 N ATOM 461 CA GLY A 33 0.227 -7.983 -4.175 1.00 0.00 C ATOM 462 C GLY A 33 0.647 -9.135 -5.067 1.00 0.00 C ATOM 463 O GLY A 33 -0.160 -10.007 -5.389 1.00 0.00 O ATOM 0 H GLY A 33 1.670 -6.534 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.637 -8.133 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.859 -7.981 -4.077 1.00 0.00 H new ATOM 467 N LYS A 34 1.913 -9.138 -5.469 1.00 0.00 N ATOM 468 CA LYS A 34 2.440 -10.190 -6.330 1.00 0.00 C ATOM 469 C LYS A 34 3.207 -11.227 -5.516 1.00 0.00 C ATOM 470 O LYS A 34 2.754 -12.359 -5.351 1.00 0.00 O ATOM 471 CB LYS A 34 3.354 -9.590 -7.402 1.00 0.00 C ATOM 472 CG LYS A 34 2.813 -8.311 -8.016 1.00 0.00 C ATOM 473 CD LYS A 34 1.534 -8.565 -8.797 1.00 0.00 C ATOM 474 CE LYS A 34 1.828 -8.939 -10.241 1.00 0.00 C ATOM 475 NZ LYS A 34 0.579 -9.151 -11.025 1.00 0.00 N ATOM 0 H LYS A 34 2.594 -8.423 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 34 1.598 -10.685 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.331 -9.387 -6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.506 -10.326 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.621 -7.581 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.564 -7.877 -8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.968 -9.366 -8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.908 -7.673 -8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.420 -8.151 -10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.431 -9.847 -10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.822 -9.404 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.026 -9.920 -10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.016 -8.277 -11.023 1.00 0.00 H new ATOM 489 N ASP A 35 4.370 -10.832 -5.008 1.00 0.00 N ATOM 490 CA ASP A 35 5.198 -11.726 -4.208 1.00 0.00 C ATOM 491 C ASP A 35 5.129 -11.354 -2.730 1.00 0.00 C ATOM 492 O ASP A 35 6.104 -11.510 -1.994 1.00 0.00 O ATOM 493 CB ASP A 35 6.648 -11.681 -4.691 1.00 0.00 C ATOM 494 CG ASP A 35 6.755 -11.669 -6.203 1.00 0.00 C ATOM 495 OD1 ASP A 35 6.202 -12.587 -6.844 1.00 0.00 O ATOM 496 OD2 ASP A 35 7.392 -10.742 -6.746 1.00 0.00 O ATOM 0 H ASP A 35 4.760 -9.898 -5.136 1.00 0.00 H new ATOM 0 HA ASP A 35 4.815 -12.740 -4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.134 -10.793 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.185 -12.544 -4.299 1.00 0.00 H new ATOM 501 N VAL A 36 3.971 -10.861 -2.302 1.00 0.00 N ATOM 502 CA VAL A 36 3.775 -10.467 -0.913 1.00 0.00 C ATOM 503 C VAL A 36 3.281 -11.639 -0.073 1.00 0.00 C ATOM 504 O VAL A 36 2.838 -11.461 1.062 1.00 0.00 O ATOM 505 CB VAL A 36 2.770 -9.306 -0.795 1.00 0.00 C ATOM 506 CG1 VAL A 36 2.608 -8.884 0.657 1.00 0.00 C ATOM 507 CG2 VAL A 36 3.212 -8.130 -1.654 1.00 0.00 C ATOM 0 H VAL A 36 3.154 -10.725 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 36 4.744 -10.138 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 36 1.801 -9.649 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.894 -8.063 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.243 -9.728 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.571 -8.559 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.491 -7.318 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.192 -7.785 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.271 -8.443 -2.697 1.00 0.00 H new ATOM 517 N PHE A 37 3.359 -12.839 -0.639 1.00 0.00 N ATOM 518 CA PHE A 37 2.919 -14.043 0.057 1.00 0.00 C ATOM 519 C PHE A 37 3.344 -14.010 1.523 1.00 0.00 C ATOM 520 O PHE A 37 4.264 -13.283 1.897 1.00 0.00 O ATOM 521 CB PHE A 37 3.490 -15.289 -0.623 1.00 0.00 C ATOM 522 CG PHE A 37 3.501 -15.201 -2.122 1.00 0.00 C ATOM 523 CD1 PHE A 37 2.327 -14.988 -2.825 1.00 0.00 C ATOM 524 CD2 PHE A 37 4.686 -15.333 -2.828 1.00 0.00 C ATOM 525 CE1 PHE A 37 2.333 -14.907 -4.205 1.00 0.00 C ATOM 526 CE2 PHE A 37 4.699 -15.252 -4.208 1.00 0.00 C ATOM 527 CZ PHE A 37 3.521 -15.040 -4.897 1.00 0.00 C ATOM 0 H PHE A 37 3.723 -13.004 -1.578 1.00 0.00 H new ATOM 0 HA PHE A 37 1.831 -14.080 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.508 -15.452 -0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.905 -16.158 -0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.395 -14.884 -2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.610 -15.501 -2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.410 -14.740 -4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.629 -15.354 -4.747 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.529 -14.978 -5.975 1.00 0.00 H new ATOM 537 N ARG A 38 2.666 -14.801 2.347 1.00 0.00 N ATOM 538 CA ARG A 38 2.971 -14.862 3.771 1.00 0.00 C ATOM 539 C ARG A 38 4.434 -15.231 3.999 1.00 0.00 C ATOM 540 O ARG A 38 4.981 -16.091 3.309 1.00 0.00 O ATOM 541 CB ARG A 38 2.063 -15.878 4.466 1.00 0.00 C ATOM 542 CG ARG A 38 2.043 -15.742 5.980 1.00 0.00 C ATOM 543 CD ARG A 38 1.064 -16.718 6.614 1.00 0.00 C ATOM 544 NE ARG A 38 1.345 -16.932 8.031 1.00 0.00 N ATOM 545 CZ ARG A 38 0.775 -17.887 8.758 1.00 0.00 C ATOM 546 NH1 ARG A 38 -0.102 -18.712 8.203 1.00 0.00 N ATOM 547 NH2 ARG A 38 1.083 -18.019 10.042 1.00 0.00 N ATOM 0 H ARG A 38 1.901 -15.409 2.053 1.00 0.00 H new ATOM 0 HA ARG A 38 2.793 -13.875 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.048 -15.765 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.391 -16.884 4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.043 -15.919 6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.769 -14.722 6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.049 -16.339 6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.110 -17.671 6.087 1.00 0.00 H new ATOM 0 HE ARG A 38 2.016 -16.314 8.488 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.340 -18.614 7.216 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.538 -19.444 8.763 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.758 -17.387 10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.645 -18.753 10.599 1.00 0.00 H new ATOM 561 N GLU A 39 5.060 -14.575 4.970 1.00 0.00 N ATOM 562 CA GLU A 39 6.460 -14.834 5.287 1.00 0.00 C ATOM 563 C GLU A 39 7.352 -14.553 4.081 1.00 0.00 C ATOM 564 O GLU A 39 8.310 -15.279 3.822 1.00 0.00 O ATOM 565 CB GLU A 39 6.643 -16.282 5.744 1.00 0.00 C ATOM 566 CG GLU A 39 6.078 -16.560 7.127 1.00 0.00 C ATOM 567 CD GLU A 39 6.936 -15.982 8.235 1.00 0.00 C ATOM 568 OE1 GLU A 39 8.086 -16.442 8.397 1.00 0.00 O ATOM 569 OE2 GLU A 39 6.457 -15.069 8.940 1.00 0.00 O ATOM 0 H GLU A 39 4.621 -13.861 5.551 1.00 0.00 H new ATOM 0 HA GLU A 39 6.752 -14.165 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.162 -16.945 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.706 -16.524 5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.073 -16.143 7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.986 -17.637 7.268 1.00 0.00 H new ATOM 576 N ALA A 40 7.027 -13.493 3.347 1.00 0.00 N ATOM 577 CA ALA A 40 7.799 -13.115 2.169 1.00 0.00 C ATOM 578 C ALA A 40 8.242 -11.658 2.248 1.00 0.00 C ATOM 579 O ALA A 40 7.477 -10.786 2.662 1.00 0.00 O ATOM 580 CB ALA A 40 6.985 -13.353 0.906 1.00 0.00 C ATOM 0 H ALA A 40 6.235 -12.882 3.547 1.00 0.00 H new ATOM 0 HA ALA A 40 8.693 -13.738 2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.574 -13.066 0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.723 -14.409 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.075 -12.755 0.942 1.00 0.00 H new ATOM 586 N THR A 41 9.484 -11.400 1.850 1.00 0.00 N ATOM 587 CA THR A 41 10.030 -10.049 1.877 1.00 0.00 C ATOM 588 C THR A 41 9.603 -9.258 0.646 1.00 0.00 C ATOM 589 O THR A 41 10.154 -9.434 -0.441 1.00 0.00 O ATOM 590 CB THR A 41 11.568 -10.066 1.954 1.00 0.00 C ATOM 591 OG1 THR A 41 11.994 -10.837 3.083 1.00 0.00 O ATOM 592 CG2 THR A 41 12.121 -8.653 2.061 1.00 0.00 C ATOM 0 H THR A 41 10.131 -12.109 1.505 1.00 0.00 H new ATOM 0 HA THR A 41 9.634 -9.566 2.771 1.00 0.00 H new ATOM 0 HB THR A 41 11.950 -10.520 1.040 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.973 -10.844 3.124 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.209 -8.691 2.114 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.820 -8.077 1.186 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.730 -8.177 2.960 1.00 0.00 H new ATOM 600 N THR A 42 8.617 -8.384 0.822 1.00 0.00 N ATOM 601 CA THR A 42 8.116 -7.565 -0.274 1.00 0.00 C ATOM 602 C THR A 42 8.199 -6.081 0.064 1.00 0.00 C ATOM 603 O THR A 42 8.037 -5.688 1.219 1.00 0.00 O ATOM 604 CB THR A 42 6.657 -7.920 -0.619 1.00 0.00 C ATOM 605 OG1 THR A 42 6.315 -7.394 -1.906 1.00 0.00 O ATOM 606 CG2 THR A 42 5.703 -7.368 0.430 1.00 0.00 C ATOM 0 H THR A 42 8.149 -8.225 1.714 1.00 0.00 H new ATOM 0 HA THR A 42 8.748 -7.773 -1.137 1.00 0.00 H new ATOM 0 HB THR A 42 6.565 -9.006 -0.635 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.666 -7.985 -2.605 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.679 -7.631 0.165 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.947 -7.794 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.799 -6.283 0.474 1.00 0.00 H new ATOM 614 N ASP A 43 8.453 -5.262 -0.950 1.00 0.00 N ATOM 615 CA ASP A 43 8.556 -3.820 -0.761 1.00 0.00 C ATOM 616 C ASP A 43 8.120 -3.073 -2.017 1.00 0.00 C ATOM 617 O ASP A 43 8.154 -3.620 -3.120 1.00 0.00 O ATOM 618 CB ASP A 43 9.990 -3.433 -0.395 1.00 0.00 C ATOM 619 CG ASP A 43 10.961 -3.667 -1.536 1.00 0.00 C ATOM 620 OD1 ASP A 43 10.517 -3.669 -2.703 1.00 0.00 O ATOM 621 OD2 ASP A 43 12.166 -3.848 -1.261 1.00 0.00 O ATOM 0 H ASP A 43 8.591 -5.572 -1.912 1.00 0.00 H new ATOM 0 HA ASP A 43 7.891 -3.538 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.018 -2.382 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.309 -4.009 0.474 1.00 0.00 H new ATOM 626 N PHE A 44 7.709 -1.822 -1.844 1.00 0.00 N ATOM 627 CA PHE A 44 7.263 -1.001 -2.963 1.00 0.00 C ATOM 628 C PHE A 44 8.098 0.272 -3.071 1.00 0.00 C ATOM 629 O PHE A 44 8.938 0.552 -2.215 1.00 0.00 O ATOM 630 CB PHE A 44 5.784 -0.642 -2.804 1.00 0.00 C ATOM 631 CG PHE A 44 5.465 0.012 -1.489 1.00 0.00 C ATOM 632 CD1 PHE A 44 5.278 -0.752 -0.348 1.00 0.00 C ATOM 633 CD2 PHE A 44 5.352 1.389 -1.395 1.00 0.00 C ATOM 634 CE1 PHE A 44 4.983 -0.153 0.862 1.00 0.00 C ATOM 635 CE2 PHE A 44 5.058 1.994 -0.187 1.00 0.00 C ATOM 636 CZ PHE A 44 4.874 1.221 0.943 1.00 0.00 C ATOM 0 H PHE A 44 7.675 -1.354 -0.938 1.00 0.00 H new ATOM 0 HA PHE A 44 7.393 -1.579 -3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.491 0.026 -3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.185 -1.547 -2.905 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.364 -1.827 -0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.495 1.998 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.838 -0.759 1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.972 3.069 -0.127 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.645 1.691 1.888 1.00 0.00 H new ATOM 646 N THR A 45 7.862 1.040 -4.130 1.00 0.00 N ATOM 647 CA THR A 45 8.593 2.281 -4.352 1.00 0.00 C ATOM 648 C THR A 45 7.638 3.449 -4.574 1.00 0.00 C ATOM 649 O THR A 45 6.711 3.362 -5.379 1.00 0.00 O ATOM 650 CB THR A 45 9.537 2.168 -5.564 1.00 0.00 C ATOM 651 OG1 THR A 45 10.354 0.999 -5.441 1.00 0.00 O ATOM 652 CG2 THR A 45 10.421 3.401 -5.678 1.00 0.00 C ATOM 0 H THR A 45 7.170 0.824 -4.848 1.00 0.00 H new ATOM 0 HA THR A 45 9.185 2.464 -3.455 1.00 0.00 H new ATOM 0 HB THR A 45 8.928 2.092 -6.465 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.017 1.136 -4.732 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.079 3.298 -6.541 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.797 4.286 -5.801 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.021 3.503 -4.774 1.00 0.00 H new ATOM 660 N VAL A 46 7.870 4.542 -3.853 1.00 0.00 N ATOM 661 CA VAL A 46 7.031 5.728 -3.972 1.00 0.00 C ATOM 662 C VAL A 46 7.728 6.815 -4.782 1.00 0.00 C ATOM 663 O VAL A 46 8.833 7.243 -4.445 1.00 0.00 O ATOM 664 CB VAL A 46 6.659 6.293 -2.589 1.00 0.00 C ATOM 665 CG1 VAL A 46 5.951 7.632 -2.731 1.00 0.00 C ATOM 666 CG2 VAL A 46 5.794 5.302 -1.824 1.00 0.00 C ATOM 0 H VAL A 46 8.632 4.630 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 46 6.121 5.422 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 46 7.577 6.453 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.696 8.015 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.609 8.339 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.040 7.502 -3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.540 5.718 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.880 5.108 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.342 4.369 -1.690 1.00 0.00 H new ATOM 676 N ASP A 47 7.076 7.259 -5.851 1.00 0.00 N ATOM 677 CA ASP A 47 7.633 8.298 -6.710 1.00 0.00 C ATOM 678 C ASP A 47 7.010 9.654 -6.395 1.00 0.00 C ATOM 679 O ASP A 47 5.805 9.848 -6.558 1.00 0.00 O ATOM 680 CB ASP A 47 7.407 7.949 -8.182 1.00 0.00 C ATOM 681 CG ASP A 47 8.495 8.501 -9.081 1.00 0.00 C ATOM 682 OD1 ASP A 47 8.939 9.643 -8.842 1.00 0.00 O ATOM 683 OD2 ASP A 47 8.901 7.792 -10.026 1.00 0.00 O ATOM 0 H ASP A 47 6.161 6.916 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 47 8.705 8.357 -6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.363 6.866 -8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.442 8.342 -8.501 1.00 0.00 H new ATOM 688 N SER A 48 7.838 10.589 -5.941 1.00 0.00 N ATOM 689 CA SER A 48 7.368 11.926 -5.598 1.00 0.00 C ATOM 690 C SER A 48 8.236 12.993 -6.259 1.00 0.00 C ATOM 691 O SER A 48 9.460 12.977 -6.135 1.00 0.00 O ATOM 692 CB SER A 48 7.372 12.117 -4.080 1.00 0.00 C ATOM 693 OG SER A 48 6.729 11.036 -3.428 1.00 0.00 O ATOM 0 H SER A 48 8.838 10.445 -5.802 1.00 0.00 H new ATOM 0 HA SER A 48 6.348 12.032 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.399 12.202 -3.724 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.869 13.050 -3.826 1.00 0.00 H new ATOM 0 HG SER A 48 6.747 11.181 -2.459 1.00 0.00 H new ATOM 699 N ARG A 49 7.591 13.920 -6.961 1.00 0.00 N ATOM 700 CA ARG A 49 8.302 14.994 -7.643 1.00 0.00 C ATOM 701 C ARG A 49 8.111 16.321 -6.914 1.00 0.00 C ATOM 702 O ARG A 49 9.026 16.848 -6.281 1.00 0.00 O ATOM 703 CB ARG A 49 7.817 15.119 -9.088 1.00 0.00 C ATOM 704 CG ARG A 49 8.691 14.383 -10.090 1.00 0.00 C ATOM 705 CD ARG A 49 7.970 14.176 -11.412 1.00 0.00 C ATOM 706 NE ARG A 49 8.242 15.254 -12.359 1.00 0.00 N ATOM 707 CZ ARG A 49 7.575 16.402 -12.378 1.00 0.00 C ATOM 708 NH1 ARG A 49 6.601 16.621 -11.506 1.00 0.00 N ATOM 709 NH2 ARG A 49 7.882 17.335 -13.271 1.00 0.00 N ATOM 0 H ARG A 49 6.577 13.948 -7.072 1.00 0.00 H new ATOM 0 HA ARG A 49 9.364 14.749 -7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.799 14.735 -9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.778 16.174 -9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.608 14.948 -10.259 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.983 13.417 -9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.277 13.225 -11.847 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.897 14.113 -11.233 1.00 0.00 H new ATOM 0 HE ARG A 49 8.986 15.117 -13.044 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.362 15.907 -10.818 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.090 17.504 -11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.631 17.170 -13.944 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.369 18.216 -13.285 1.00 0.00 H new ATOM 723 N PRO A 50 6.893 16.875 -7.004 1.00 0.00 N ATOM 724 CA PRO A 50 6.552 18.147 -6.360 1.00 0.00 C ATOM 725 C PRO A 50 6.494 18.030 -4.840 1.00 0.00 C ATOM 726 O PRO A 50 5.964 18.910 -4.160 1.00 0.00 O ATOM 727 CB PRO A 50 5.167 18.472 -6.924 1.00 0.00 C ATOM 728 CG PRO A 50 4.592 17.149 -7.300 1.00 0.00 C ATOM 729 CD PRO A 50 5.754 16.303 -7.741 1.00 0.00 C ATOM 0 HA PRO A 50 7.298 18.916 -6.558 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.547 18.978 -6.184 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.236 19.134 -7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.076 16.693 -6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.860 17.255 -8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.603 15.252 -7.494 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.905 16.358 -8.819 1.00 0.00 H new ATOM 737 N LEU A 51 7.042 16.941 -4.314 1.00 0.00 N ATOM 738 CA LEU A 51 7.053 16.709 -2.874 1.00 0.00 C ATOM 739 C LEU A 51 8.482 16.643 -2.344 1.00 0.00 C ATOM 740 O LEU A 51 8.819 17.289 -1.351 1.00 0.00 O ATOM 741 CB LEU A 51 6.313 15.413 -2.540 1.00 0.00 C ATOM 742 CG LEU A 51 5.084 15.102 -3.396 1.00 0.00 C ATOM 743 CD1 LEU A 51 4.384 13.850 -2.891 1.00 0.00 C ATOM 744 CD2 LEU A 51 4.127 16.285 -3.403 1.00 0.00 C ATOM 0 H LEU A 51 7.485 16.204 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 51 6.545 17.544 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.014 14.584 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.003 15.454 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 51 5.414 14.920 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.512 13.645 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.071 13.005 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.067 14.002 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.258 16.047 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.804 16.498 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.632 17.159 -3.813 1.00 0.00 H new ATOM 756 N THR A 52 9.321 15.858 -3.014 1.00 0.00 N ATOM 757 CA THR A 52 10.713 15.708 -2.612 1.00 0.00 C ATOM 758 C THR A 52 11.649 15.844 -3.808 1.00 0.00 C ATOM 759 O THR A 52 11.205 15.856 -4.956 1.00 0.00 O ATOM 760 CB THR A 52 10.959 14.347 -1.935 1.00 0.00 C ATOM 761 OG1 THR A 52 12.267 14.318 -1.354 1.00 0.00 O ATOM 762 CG2 THR A 52 10.818 13.211 -2.937 1.00 0.00 C ATOM 0 H THR A 52 9.059 15.316 -3.838 1.00 0.00 H new ATOM 0 HA THR A 52 10.923 16.504 -1.898 1.00 0.00 H new ATOM 0 HB THR A 52 10.212 14.215 -1.153 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.193 14.169 -0.388 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.996 12.260 -2.436 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.812 13.218 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.545 13.341 -3.739 1.00 0.00 H new ATOM 770 N GLN A 53 12.945 15.946 -3.532 1.00 0.00 N ATOM 771 CA GLN A 53 13.942 16.081 -4.586 1.00 0.00 C ATOM 772 C GLN A 53 15.123 15.147 -4.342 1.00 0.00 C ATOM 773 O GLN A 53 15.634 14.520 -5.269 1.00 0.00 O ATOM 774 CB GLN A 53 14.431 17.528 -4.674 1.00 0.00 C ATOM 775 CG GLN A 53 13.314 18.534 -4.896 1.00 0.00 C ATOM 776 CD GLN A 53 12.684 18.413 -6.270 1.00 0.00 C ATOM 777 OE1 GLN A 53 13.297 18.764 -7.279 1.00 0.00 O ATOM 778 NE2 GLN A 53 11.455 17.914 -6.317 1.00 0.00 N ATOM 0 H GLN A 53 13.329 15.938 -2.587 1.00 0.00 H new ATOM 0 HA GLN A 53 13.473 15.805 -5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.959 17.781 -3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.151 17.611 -5.488 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.547 18.393 -4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.708 19.542 -4.769 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.984 17.636 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.981 17.809 -7.214 1.00 0.00 H new ATOM 787 N VAL A 54 15.552 15.060 -3.087 1.00 0.00 N ATOM 788 CA VAL A 54 16.672 14.202 -2.719 1.00 0.00 C ATOM 789 C VAL A 54 16.303 13.281 -1.562 1.00 0.00 C ATOM 790 O VAL A 54 17.106 13.049 -0.659 1.00 0.00 O ATOM 791 CB VAL A 54 17.909 15.031 -2.327 1.00 0.00 C ATOM 792 CG1 VAL A 54 18.304 15.969 -3.458 1.00 0.00 C ATOM 793 CG2 VAL A 54 17.644 15.809 -1.046 1.00 0.00 C ATOM 0 H VAL A 54 15.141 15.574 -2.308 1.00 0.00 H new ATOM 0 HA VAL A 54 16.910 13.600 -3.596 1.00 0.00 H new ATOM 0 HB VAL A 54 18.740 14.349 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 54 19.180 16.547 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 54 18.537 15.386 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.478 16.647 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 54 18.528 16.389 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 54 16.800 16.482 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.414 15.114 -0.239 1.00 0.00 H new ATOM 803 N GLY A 55 15.081 12.758 -1.595 1.00 0.00 N ATOM 804 CA GLY A 55 14.626 11.868 -0.543 1.00 0.00 C ATOM 805 C GLY A 55 14.169 12.617 0.693 1.00 0.00 C ATOM 806 O GLY A 55 14.373 13.824 0.806 1.00 0.00 O ATOM 0 H GLY A 55 14.398 12.935 -2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.805 11.257 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.433 11.187 -0.273 1.00 0.00 H new ATOM 810 N GLY A 56 13.546 11.898 1.622 1.00 0.00 N ATOM 811 CA GLY A 56 13.066 12.519 2.842 1.00 0.00 C ATOM 812 C GLY A 56 12.734 11.504 3.918 1.00 0.00 C ATOM 813 O GLY A 56 12.709 10.301 3.659 1.00 0.00 O ATOM 0 H GLY A 56 13.365 10.897 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.823 13.208 3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.179 13.111 2.620 1.00 0.00 H new ATOM 817 N ASP A 57 12.480 11.989 5.128 1.00 0.00 N ATOM 818 CA ASP A 57 12.148 11.115 6.248 1.00 0.00 C ATOM 819 C ASP A 57 10.771 11.452 6.811 1.00 0.00 C ATOM 820 O ASP A 57 10.572 11.464 8.027 1.00 0.00 O ATOM 821 CB ASP A 57 13.206 11.235 7.346 1.00 0.00 C ATOM 822 CG ASP A 57 14.510 10.558 6.971 1.00 0.00 C ATOM 823 OD1 ASP A 57 15.338 11.201 6.293 1.00 0.00 O ATOM 824 OD2 ASP A 57 14.702 9.385 7.354 1.00 0.00 O ATOM 0 H ASP A 57 12.497 12.982 5.359 1.00 0.00 H new ATOM 0 HA ASP A 57 12.129 10.088 5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.393 12.289 7.552 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.822 10.794 8.266 1.00 0.00 H new ATOM 829 N HIS A 58 9.824 11.726 5.920 1.00 0.00 N ATOM 830 CA HIS A 58 8.465 12.065 6.329 1.00 0.00 C ATOM 831 C HIS A 58 7.469 11.034 5.806 1.00 0.00 C ATOM 832 O HIS A 58 6.291 11.339 5.613 1.00 0.00 O ATOM 833 CB HIS A 58 8.090 13.458 5.822 1.00 0.00 C ATOM 834 CG HIS A 58 8.447 14.557 6.774 1.00 0.00 C ATOM 835 ND1 HIS A 58 7.514 15.417 7.315 1.00 0.00 N ATOM 836 CD2 HIS A 58 9.643 14.935 7.282 1.00 0.00 C ATOM 837 CE1 HIS A 58 8.121 16.276 8.114 1.00 0.00 C ATOM 838 NE2 HIS A 58 9.414 16.005 8.112 1.00 0.00 N ATOM 0 H HIS A 58 9.972 11.720 4.911 1.00 0.00 H new ATOM 0 HA HIS A 58 8.427 12.062 7.418 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.590 13.636 4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.018 13.489 5.629 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.600 14.480 7.073 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.642 17.066 8.674 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.126 16.508 8.641 1.00 0.00 H new ATOM 846 N ILE A 59 7.948 9.817 5.579 1.00 0.00 N ATOM 847 CA ILE A 59 7.099 8.742 5.079 1.00 0.00 C ATOM 848 C ILE A 59 6.823 7.709 6.165 1.00 0.00 C ATOM 849 O ILE A 59 7.730 7.294 6.889 1.00 0.00 O ATOM 850 CB ILE A 59 7.737 8.038 3.866 1.00 0.00 C ATOM 851 CG1 ILE A 59 7.843 9.005 2.685 1.00 0.00 C ATOM 852 CG2 ILE A 59 6.927 6.810 3.481 1.00 0.00 C ATOM 853 CD1 ILE A 59 6.502 9.447 2.143 1.00 0.00 C ATOM 0 H ILE A 59 8.920 9.549 5.733 1.00 0.00 H new ATOM 0 HA ILE A 59 6.160 9.200 4.770 1.00 0.00 H new ATOM 0 HB ILE A 59 8.742 7.716 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.408 9.884 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.410 8.528 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.390 6.323 2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.898 6.115 4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.911 7.110 3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.655 10.131 1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.943 8.576 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.941 9.953 2.929 1.00 0.00 H new ATOM 865 N LYS A 60 5.566 7.294 6.274 1.00 0.00 N ATOM 866 CA LYS A 60 5.169 6.306 7.270 1.00 0.00 C ATOM 867 C LYS A 60 4.024 5.441 6.752 1.00 0.00 C ATOM 868 O LYS A 60 3.105 5.936 6.101 1.00 0.00 O ATOM 869 CB LYS A 60 4.750 7.000 8.568 1.00 0.00 C ATOM 870 CG LYS A 60 4.104 6.066 9.577 1.00 0.00 C ATOM 871 CD LYS A 60 5.090 5.027 10.086 1.00 0.00 C ATOM 872 CE LYS A 60 5.871 5.541 11.285 1.00 0.00 C ATOM 873 NZ LYS A 60 7.050 4.683 11.588 1.00 0.00 N ATOM 0 H LYS A 60 4.803 7.627 5.684 1.00 0.00 H new ATOM 0 HA LYS A 60 6.026 5.663 7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.627 7.462 9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.053 7.804 8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.719 6.645 10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.252 5.566 9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.554 4.119 10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.782 4.758 9.288 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.204 6.561 11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.216 5.579 12.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.556 5.067 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.731 3.716 11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.688 4.667 10.767 1.00 0.00 H new ATOM 887 N ALA A 61 4.087 4.146 7.047 1.00 0.00 N ATOM 888 CA ALA A 61 3.054 3.213 6.614 1.00 0.00 C ATOM 889 C ALA A 61 2.553 2.369 7.781 1.00 0.00 C ATOM 890 O ALA A 61 3.248 2.203 8.784 1.00 0.00 O ATOM 891 CB ALA A 61 3.583 2.319 5.502 1.00 0.00 C ATOM 0 H ALA A 61 4.842 3.720 7.584 1.00 0.00 H new ATOM 0 HA ALA A 61 2.213 3.792 6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.801 1.627 5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.886 2.933 4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.442 1.755 5.866 1.00 0.00 H new ATOM 897 N HIS A 62 1.341 1.839 7.644 1.00 0.00 N ATOM 898 CA HIS A 62 0.747 1.012 8.687 1.00 0.00 C ATOM 899 C HIS A 62 -0.151 -0.064 8.083 1.00 0.00 C ATOM 900 O HIS A 62 -1.246 0.227 7.602 1.00 0.00 O ATOM 901 CB HIS A 62 -0.058 1.878 9.657 1.00 0.00 C ATOM 902 CG HIS A 62 -0.496 1.148 10.890 1.00 0.00 C ATOM 903 ND1 HIS A 62 0.028 1.401 12.140 1.00 0.00 N ATOM 904 CD2 HIS A 62 -1.415 0.169 11.060 1.00 0.00 C ATOM 905 CE1 HIS A 62 -0.549 0.608 13.025 1.00 0.00 C ATOM 906 NE2 HIS A 62 -1.428 -0.150 12.395 1.00 0.00 N ATOM 0 H HIS A 62 0.752 1.968 6.821 1.00 0.00 H new ATOM 0 HA HIS A 62 1.554 0.523 9.232 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.544 2.738 9.949 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.937 2.265 9.142 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.025 -0.278 10.289 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.338 0.584 14.084 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -2.020 -0.857 12.830 1.00 0.00 H new ATOM 914 N ILE A 63 0.321 -1.306 8.110 1.00 0.00 N ATOM 915 CA ILE A 63 -0.439 -2.423 7.565 1.00 0.00 C ATOM 916 C ILE A 63 -1.456 -2.941 8.576 1.00 0.00 C ATOM 917 O ILE A 63 -1.193 -2.971 9.777 1.00 0.00 O ATOM 918 CB ILE A 63 0.486 -3.581 7.145 1.00 0.00 C ATOM 919 CG1 ILE A 63 1.470 -3.114 6.071 1.00 0.00 C ATOM 920 CG2 ILE A 63 -0.335 -4.759 6.643 1.00 0.00 C ATOM 921 CD1 ILE A 63 2.716 -3.967 5.980 1.00 0.00 C ATOM 0 H ILE A 63 1.226 -1.563 8.504 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.963 -2.049 6.685 1.00 0.00 H new ATOM 0 HB ILE A 63 1.056 -3.905 8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.967 -3.116 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.759 -2.084 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.333 -5.569 6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.998 -5.104 7.436 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.928 -4.449 5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.368 -3.577 5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.242 -3.946 6.934 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.438 -4.994 5.742 1.00 0.00 H new ATOM 933 N ALA A 64 -2.619 -3.350 8.080 1.00 0.00 N ATOM 934 CA ALA A 64 -3.676 -3.871 8.939 1.00 0.00 C ATOM 935 C ALA A 64 -4.193 -5.209 8.423 1.00 0.00 C ATOM 936 O ALA A 64 -4.968 -5.260 7.469 1.00 0.00 O ATOM 937 CB ALA A 64 -4.815 -2.867 9.042 1.00 0.00 C ATOM 0 H ALA A 64 -2.853 -3.331 7.087 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.257 -4.032 9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.597 -3.269 9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.441 -1.934 9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.224 -2.678 8.050 1.00 0.00 H new ATOM 943 N ASN A 65 -3.758 -6.292 9.060 1.00 0.00 N ATOM 944 CA ASN A 65 -4.177 -7.632 8.664 1.00 0.00 C ATOM 945 C ASN A 65 -5.679 -7.811 8.857 1.00 0.00 C ATOM 946 O ASN A 65 -6.312 -7.131 9.665 1.00 0.00 O ATOM 947 CB ASN A 65 -3.418 -8.685 9.473 1.00 0.00 C ATOM 948 CG ASN A 65 -1.996 -8.879 8.981 1.00 0.00 C ATOM 949 OD1 ASN A 65 -1.668 -8.531 7.846 1.00 0.00 O ATOM 950 ND2 ASN A 65 -1.146 -9.437 9.834 1.00 0.00 N ATOM 0 H ASN A 65 -3.116 -6.268 9.852 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.947 -7.761 7.606 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.399 -8.389 10.522 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.951 -9.634 9.419 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.176 -9.593 9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.462 -9.709 10.765 1.00 0.00 H new ATOM 957 N PRO A 66 -6.265 -8.750 8.099 1.00 0.00 N ATOM 958 CA PRO A 66 -7.700 -9.042 8.169 1.00 0.00 C ATOM 959 C PRO A 66 -8.091 -9.717 9.480 1.00 0.00 C ATOM 960 O PRO A 66 -9.264 -10.005 9.715 1.00 0.00 O ATOM 961 CB PRO A 66 -7.926 -9.992 6.990 1.00 0.00 C ATOM 962 CG PRO A 66 -6.602 -10.635 6.763 1.00 0.00 C ATOM 963 CD PRO A 66 -5.572 -9.599 7.116 1.00 0.00 C ATOM 0 HA PRO A 66 -8.303 -8.135 8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.692 -10.733 7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.261 -9.452 6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.489 -11.525 7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.496 -10.953 5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.675 -10.052 7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.260 -9.028 6.241 1.00 0.00 H new ATOM 971 N SER A 67 -7.100 -9.967 10.330 1.00 0.00 N ATOM 972 CA SER A 67 -7.340 -10.611 11.616 1.00 0.00 C ATOM 973 C SER A 67 -7.289 -9.593 12.751 1.00 0.00 C ATOM 974 O SER A 67 -7.876 -9.800 13.812 1.00 0.00 O ATOM 975 CB SER A 67 -6.309 -11.715 11.858 1.00 0.00 C ATOM 976 OG SER A 67 -6.666 -12.904 11.175 1.00 0.00 O ATOM 0 H SER A 67 -6.123 -9.733 10.151 1.00 0.00 H new ATOM 0 HA SER A 67 -8.336 -11.053 11.593 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.327 -11.380 11.523 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.230 -11.915 12.927 1.00 0.00 H new ATOM 0 HG SER A 67 -5.923 -13.188 10.602 1.00 0.00 H new ATOM 982 N GLY A 68 -6.580 -8.492 12.519 1.00 0.00 N ATOM 983 CA GLY A 68 -6.464 -7.458 13.531 1.00 0.00 C ATOM 984 C GLY A 68 -5.022 -7.082 13.813 1.00 0.00 C ATOM 985 O GLY A 68 -4.739 -5.970 14.255 1.00 0.00 O ATOM 0 H GLY A 68 -6.084 -8.298 11.649 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.010 -6.573 13.206 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.934 -7.802 14.453 1.00 0.00 H new ATOM 989 N ALA A 69 -4.109 -8.013 13.557 1.00 0.00 N ATOM 990 CA ALA A 69 -2.689 -7.774 13.786 1.00 0.00 C ATOM 991 C ALA A 69 -2.160 -6.686 12.858 1.00 0.00 C ATOM 992 O ALA A 69 -2.885 -6.179 12.002 1.00 0.00 O ATOM 993 CB ALA A 69 -1.900 -9.061 13.597 1.00 0.00 C ATOM 0 H ALA A 69 -4.327 -8.940 13.191 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.564 -7.432 14.813 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.841 -8.868 13.771 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.253 -9.811 14.304 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.039 -9.427 12.580 1.00 0.00 H new ATOM 999 N SER A 70 -0.891 -6.330 13.034 1.00 0.00 N ATOM 1000 CA SER A 70 -0.266 -5.298 12.215 1.00 0.00 C ATOM 1001 C SER A 70 1.182 -5.658 11.900 1.00 0.00 C ATOM 1002 O SER A 70 1.961 -5.993 12.793 1.00 0.00 O ATOM 1003 CB SER A 70 -0.323 -3.946 12.930 1.00 0.00 C ATOM 1004 OG SER A 70 0.447 -3.965 14.119 1.00 0.00 O ATOM 0 H SER A 70 -0.276 -6.741 13.736 1.00 0.00 H new ATOM 0 HA SER A 70 -0.818 -5.229 11.277 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.046 -3.164 12.266 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.358 -3.700 13.167 1.00 0.00 H new ATOM 0 HG SER A 70 1.111 -4.684 14.067 1.00 0.00 H new ATOM 1010 N THR A 71 1.538 -5.588 10.620 1.00 0.00 N ATOM 1011 CA THR A 71 2.891 -5.907 10.184 1.00 0.00 C ATOM 1012 C THR A 71 3.777 -4.667 10.188 1.00 0.00 C ATOM 1013 O THR A 71 3.427 -3.642 9.604 1.00 0.00 O ATOM 1014 CB THR A 71 2.896 -6.524 8.773 1.00 0.00 C ATOM 1015 OG1 THR A 71 1.965 -7.610 8.709 1.00 0.00 O ATOM 1016 CG2 THR A 71 4.286 -7.018 8.403 1.00 0.00 C ATOM 0 H THR A 71 0.907 -5.313 9.868 1.00 0.00 H new ATOM 0 HA THR A 71 3.287 -6.635 10.892 1.00 0.00 H new ATOM 0 HB THR A 71 2.601 -5.752 8.062 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.732 -7.787 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.264 -7.450 7.402 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.986 -6.183 8.423 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.605 -7.776 9.118 1.00 0.00 H new ATOM 1024 N GLU A 72 4.926 -4.768 10.849 1.00 0.00 N ATOM 1025 CA GLU A 72 5.862 -3.652 10.928 1.00 0.00 C ATOM 1026 C GLU A 72 6.262 -3.178 9.534 1.00 0.00 C ATOM 1027 O GLU A 72 6.238 -3.950 8.574 1.00 0.00 O ATOM 1028 CB GLU A 72 7.108 -4.058 11.718 1.00 0.00 C ATOM 1029 CG GLU A 72 7.928 -2.877 12.209 1.00 0.00 C ATOM 1030 CD GLU A 72 7.507 -2.407 13.587 1.00 0.00 C ATOM 1031 OE1 GLU A 72 7.770 -3.133 14.568 1.00 0.00 O ATOM 1032 OE2 GLU A 72 6.915 -1.311 13.684 1.00 0.00 O ATOM 0 H GLU A 72 5.231 -5.610 11.337 1.00 0.00 H new ATOM 0 HA GLU A 72 5.365 -2.830 11.444 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.805 -4.660 12.574 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.736 -4.690 11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.982 -3.155 12.230 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.830 -2.053 11.503 1.00 0.00 H new ATOM 1039 N CYS A 73 6.628 -1.906 9.430 1.00 0.00 N ATOM 1040 CA CYS A 73 7.032 -1.328 8.154 1.00 0.00 C ATOM 1041 C CYS A 73 8.462 -0.802 8.223 1.00 0.00 C ATOM 1042 O CYS A 73 8.888 -0.263 9.245 1.00 0.00 O ATOM 1043 CB CYS A 73 6.080 -0.198 7.757 1.00 0.00 C ATOM 1044 SG CYS A 73 5.991 1.149 8.960 1.00 0.00 S ATOM 0 H CYS A 73 6.653 -1.255 10.215 1.00 0.00 H new ATOM 0 HA CYS A 73 6.988 -2.113 7.399 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.396 0.208 6.796 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.081 -0.611 7.616 1.00 0.00 H new ATOM 0 HG CYS A 73 4.746 1.444 9.190 1.00 0.00 H new ATOM 1050 N PHE A 74 9.200 -0.964 7.130 1.00 0.00 N ATOM 1051 CA PHE A 74 10.584 -0.508 7.067 1.00 0.00 C ATOM 1052 C PHE A 74 10.773 0.502 5.940 1.00 0.00 C ATOM 1053 O PHE A 74 10.948 0.130 4.780 1.00 0.00 O ATOM 1054 CB PHE A 74 11.526 -1.697 6.865 1.00 0.00 C ATOM 1055 CG PHE A 74 11.476 -2.699 7.983 1.00 0.00 C ATOM 1056 CD1 PHE A 74 10.304 -3.383 8.266 1.00 0.00 C ATOM 1057 CD2 PHE A 74 12.599 -2.956 8.751 1.00 0.00 C ATOM 1058 CE1 PHE A 74 10.255 -4.306 9.294 1.00 0.00 C ATOM 1059 CE2 PHE A 74 12.556 -3.878 9.780 1.00 0.00 C ATOM 1060 CZ PHE A 74 11.382 -4.553 10.053 1.00 0.00 C ATOM 0 H PHE A 74 8.863 -1.408 6.276 1.00 0.00 H new ATOM 0 HA PHE A 74 10.823 -0.020 8.012 1.00 0.00 H new ATOM 0 HB2 PHE A 74 11.273 -2.196 5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.547 -1.328 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.419 -3.193 7.677 1.00 0.00 H new ATOM 0 HD2 PHE A 74 13.519 -2.430 8.544 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.336 -4.833 9.503 1.00 0.00 H new ATOM 0 HE2 PHE A 74 13.440 -4.071 10.370 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.346 -5.272 10.858 1.00 0.00 H new ATOM 1070 N VAL A 75 10.736 1.784 6.290 1.00 0.00 N ATOM 1071 CA VAL A 75 10.904 2.850 5.310 1.00 0.00 C ATOM 1072 C VAL A 75 12.374 3.042 4.953 1.00 0.00 C ATOM 1073 O VAL A 75 13.225 3.181 5.832 1.00 0.00 O ATOM 1074 CB VAL A 75 10.334 4.184 5.827 1.00 0.00 C ATOM 1075 CG1 VAL A 75 10.556 5.291 4.808 1.00 0.00 C ATOM 1076 CG2 VAL A 75 8.856 4.039 6.157 1.00 0.00 C ATOM 0 H VAL A 75 10.591 2.109 7.246 1.00 0.00 H new ATOM 0 HA VAL A 75 10.353 2.550 4.419 1.00 0.00 H new ATOM 0 HB VAL A 75 10.862 4.455 6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.147 6.226 5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.624 5.410 4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.056 5.032 3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.469 4.991 6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.310 3.744 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.728 3.277 6.926 1.00 0.00 H new ATOM 1086 N THR A 76 12.666 3.049 3.656 1.00 0.00 N ATOM 1087 CA THR A 76 14.033 3.223 3.182 1.00 0.00 C ATOM 1088 C THR A 76 14.091 4.213 2.024 1.00 0.00 C ATOM 1089 O THR A 76 13.677 3.902 0.907 1.00 0.00 O ATOM 1090 CB THR A 76 14.646 1.885 2.729 1.00 0.00 C ATOM 1091 OG1 THR A 76 14.669 0.962 3.824 1.00 0.00 O ATOM 1092 CG2 THR A 76 16.058 2.087 2.201 1.00 0.00 C ATOM 0 H THR A 76 11.974 2.936 2.915 1.00 0.00 H new ATOM 0 HA THR A 76 14.611 3.613 4.020 1.00 0.00 H new ATOM 0 HB THR A 76 14.029 1.482 1.926 1.00 0.00 H new ATOM 0 HG1 THR A 76 15.059 0.113 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.470 1.128 1.887 1.00 0.00 H new ATOM 0 HG22 THR A 76 16.034 2.768 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.683 2.511 2.987 1.00 0.00 H new ATOM 1100 N ASP A 77 14.609 5.406 2.296 1.00 0.00 N ATOM 1101 CA ASP A 77 14.723 6.441 1.275 1.00 0.00 C ATOM 1102 C ASP A 77 16.055 6.333 0.539 1.00 0.00 C ATOM 1103 O ASP A 77 17.113 6.237 1.159 1.00 0.00 O ATOM 1104 CB ASP A 77 14.587 7.827 1.907 1.00 0.00 C ATOM 1105 CG ASP A 77 15.069 8.932 0.988 1.00 0.00 C ATOM 1106 OD1 ASP A 77 14.694 8.919 -0.203 1.00 0.00 O ATOM 1107 OD2 ASP A 77 15.820 9.811 1.460 1.00 0.00 O ATOM 0 H ASP A 77 14.957 5.680 3.215 1.00 0.00 H new ATOM 0 HA ASP A 77 13.917 6.297 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.543 8.004 2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 77 15.156 7.857 2.836 1.00 0.00 H new ATOM 1112 N ASN A 78 15.994 6.349 -0.789 1.00 0.00 N ATOM 1113 CA ASN A 78 17.194 6.251 -1.611 1.00 0.00 C ATOM 1114 C ASN A 78 17.857 7.616 -1.771 1.00 0.00 C ATOM 1115 O ASN A 78 18.637 7.834 -2.697 1.00 0.00 O ATOM 1116 CB ASN A 78 16.851 5.674 -2.986 1.00 0.00 C ATOM 1117 CG ASN A 78 16.409 4.226 -2.911 1.00 0.00 C ATOM 1118 OD1 ASN A 78 17.217 3.309 -3.062 1.00 0.00 O ATOM 1119 ND2 ASN A 78 15.119 4.013 -2.677 1.00 0.00 N ATOM 0 H ASN A 78 15.126 6.429 -1.318 1.00 0.00 H new ATOM 0 HA ASN A 78 17.894 5.583 -1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 78 16.059 6.270 -3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.722 5.752 -3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.762 3.059 -2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.485 4.803 -2.558 1.00 0.00 H new ATOM 1126 N ALA A 79 17.540 8.532 -0.860 1.00 0.00 N ATOM 1127 CA ALA A 79 18.106 9.874 -0.899 1.00 0.00 C ATOM 1128 C ALA A 79 18.191 10.394 -2.330 1.00 0.00 C ATOM 1129 O ALA A 79 19.073 11.186 -2.661 1.00 0.00 O ATOM 1130 CB ALA A 79 19.482 9.886 -0.248 1.00 0.00 C ATOM 0 H ALA A 79 16.895 8.368 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 79 17.445 10.536 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 79 19.893 10.895 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.396 9.566 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 79 20.144 9.205 -0.783 1.00 0.00 H new ATOM 1136 N ASP A 80 17.270 9.942 -3.174 1.00 0.00 N ATOM 1137 CA ASP A 80 17.241 10.362 -4.570 1.00 0.00 C ATOM 1138 C ASP A 80 15.937 11.086 -4.892 1.00 0.00 C ATOM 1139 O ASP A 80 15.898 11.960 -5.758 1.00 0.00 O ATOM 1140 CB ASP A 80 17.409 9.153 -5.492 1.00 0.00 C ATOM 1141 CG ASP A 80 17.656 9.554 -6.933 1.00 0.00 C ATOM 1142 OD1 ASP A 80 16.723 10.090 -7.567 1.00 0.00 O ATOM 1143 OD2 ASP A 80 18.781 9.331 -7.427 1.00 0.00 O ATOM 0 H ASP A 80 16.534 9.285 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 80 18.069 11.052 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 80 18.241 8.544 -5.140 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.515 8.532 -5.439 1.00 0.00 H new ATOM 1148 N GLY A 81 14.871 10.715 -4.191 1.00 0.00 N ATOM 1149 CA GLY A 81 13.580 11.337 -4.418 1.00 0.00 C ATOM 1150 C GLY A 81 12.426 10.382 -4.184 1.00 0.00 C ATOM 1151 O GLY A 81 11.284 10.807 -4.006 1.00 0.00 O ATOM 0 H GLY A 81 14.878 9.994 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.474 12.198 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.536 11.712 -5.441 1.00 0.00 H new ATOM 1155 N THR A 82 12.723 9.086 -4.187 1.00 0.00 N ATOM 1156 CA THR A 82 11.702 8.068 -3.977 1.00 0.00 C ATOM 1157 C THR A 82 11.901 7.356 -2.644 1.00 0.00 C ATOM 1158 O THR A 82 12.949 7.486 -2.010 1.00 0.00 O ATOM 1159 CB THR A 82 11.708 7.024 -5.109 1.00 0.00 C ATOM 1160 OG1 THR A 82 12.990 6.389 -5.183 1.00 0.00 O ATOM 1161 CG2 THR A 82 11.380 7.673 -6.446 1.00 0.00 C ATOM 0 H THR A 82 13.663 8.717 -4.333 1.00 0.00 H new ATOM 0 HA THR A 82 10.741 8.582 -3.972 1.00 0.00 H new ATOM 0 HB THR A 82 10.945 6.277 -4.889 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.985 5.725 -5.904 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.390 6.916 -7.230 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.392 8.130 -6.396 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.123 8.438 -6.671 1.00 0.00 H new ATOM 1169 N TYR A 83 10.891 6.603 -2.224 1.00 0.00 N ATOM 1170 CA TYR A 83 10.955 5.871 -0.964 1.00 0.00 C ATOM 1171 C TYR A 83 10.733 4.379 -1.189 1.00 0.00 C ATOM 1172 O TYR A 83 9.994 3.979 -2.089 1.00 0.00 O ATOM 1173 CB TYR A 83 9.912 6.411 0.017 1.00 0.00 C ATOM 1174 CG TYR A 83 9.926 7.918 0.146 1.00 0.00 C ATOM 1175 CD1 TYR A 83 10.811 8.553 1.008 1.00 0.00 C ATOM 1176 CD2 TYR A 83 9.053 8.705 -0.594 1.00 0.00 C ATOM 1177 CE1 TYR A 83 10.826 9.929 1.130 1.00 0.00 C ATOM 1178 CE2 TYR A 83 9.062 10.082 -0.480 1.00 0.00 C ATOM 1179 CZ TYR A 83 9.949 10.689 0.384 1.00 0.00 C ATOM 1180 OH TYR A 83 9.962 12.060 0.501 1.00 0.00 O ATOM 0 H TYR A 83 10.018 6.483 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 83 11.950 6.012 -0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 83 8.921 6.091 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 83 10.085 5.969 0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 83 11.499 7.961 1.593 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.355 8.233 -1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.520 10.407 1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.378 10.680 -1.064 1.00 0.00 H new ATOM 0 HH TYR A 83 10.867 12.360 0.727 1.00 0.00 H new ATOM 1190 N GLN A 84 11.378 3.561 -0.364 1.00 0.00 N ATOM 1191 CA GLN A 84 11.251 2.112 -0.472 1.00 0.00 C ATOM 1192 C GLN A 84 10.852 1.499 0.866 1.00 0.00 C ATOM 1193 O GLN A 84 11.655 1.440 1.797 1.00 0.00 O ATOM 1194 CB GLN A 84 12.567 1.499 -0.956 1.00 0.00 C ATOM 1195 CG GLN A 84 12.456 0.025 -1.312 1.00 0.00 C ATOM 1196 CD GLN A 84 11.933 -0.198 -2.717 1.00 0.00 C ATOM 1197 OE1 GLN A 84 12.454 0.362 -3.682 1.00 0.00 O ATOM 1198 NE2 GLN A 84 10.897 -1.020 -2.840 1.00 0.00 N ATOM 0 H GLN A 84 11.993 3.876 0.386 1.00 0.00 H new ATOM 0 HA GLN A 84 10.468 1.894 -1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.916 2.050 -1.829 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.322 1.621 -0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.435 -0.443 -1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.795 -0.468 -0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.496 -1.463 -2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.502 -1.208 -3.761 1.00 0.00 H new ATOM 1207 N VAL A 85 9.606 1.043 0.954 1.00 0.00 N ATOM 1208 CA VAL A 85 9.100 0.434 2.178 1.00 0.00 C ATOM 1209 C VAL A 85 9.042 -1.084 2.053 1.00 0.00 C ATOM 1210 O VAL A 85 8.389 -1.618 1.157 1.00 0.00 O ATOM 1211 CB VAL A 85 7.697 0.963 2.531 1.00 0.00 C ATOM 1212 CG1 VAL A 85 7.179 0.300 3.798 1.00 0.00 C ATOM 1213 CG2 VAL A 85 7.722 2.477 2.683 1.00 0.00 C ATOM 0 H VAL A 85 8.929 1.084 0.192 1.00 0.00 H new ATOM 0 HA VAL A 85 9.793 0.704 2.975 1.00 0.00 H new ATOM 0 HB VAL A 85 7.018 0.713 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.187 0.686 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.122 -0.778 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.856 0.516 4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.723 2.834 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.415 2.751 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.047 2.931 1.747 1.00 0.00 H new ATOM 1223 N GLU A 86 9.729 -1.775 2.958 1.00 0.00 N ATOM 1224 CA GLU A 86 9.755 -3.232 2.947 1.00 0.00 C ATOM 1225 C GLU A 86 9.090 -3.798 4.199 1.00 0.00 C ATOM 1226 O GLU A 86 9.321 -3.317 5.309 1.00 0.00 O ATOM 1227 CB GLU A 86 11.196 -3.738 2.850 1.00 0.00 C ATOM 1228 CG GLU A 86 11.317 -5.251 2.928 1.00 0.00 C ATOM 1229 CD GLU A 86 12.664 -5.702 3.457 1.00 0.00 C ATOM 1230 OE1 GLU A 86 13.593 -5.879 2.641 1.00 0.00 O ATOM 1231 OE2 GLU A 86 12.790 -5.877 4.687 1.00 0.00 O ATOM 0 H GLU A 86 10.274 -1.349 3.707 1.00 0.00 H new ATOM 0 HA GLU A 86 9.198 -3.573 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.630 -3.395 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.783 -3.293 3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.529 -5.642 3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.159 -5.676 1.937 1.00 0.00 H new ATOM 1238 N TYR A 87 8.263 -4.820 4.012 1.00 0.00 N ATOM 1239 CA TYR A 87 7.562 -5.450 5.124 1.00 0.00 C ATOM 1240 C TYR A 87 7.282 -6.920 4.830 1.00 0.00 C ATOM 1241 O TYR A 87 7.130 -7.317 3.674 1.00 0.00 O ATOM 1242 CB TYR A 87 6.250 -4.716 5.407 1.00 0.00 C ATOM 1243 CG TYR A 87 5.173 -4.981 4.379 1.00 0.00 C ATOM 1244 CD1 TYR A 87 4.385 -6.123 4.449 1.00 0.00 C ATOM 1245 CD2 TYR A 87 4.944 -4.089 3.339 1.00 0.00 C ATOM 1246 CE1 TYR A 87 3.401 -6.370 3.511 1.00 0.00 C ATOM 1247 CE2 TYR A 87 3.961 -4.327 2.398 1.00 0.00 C ATOM 1248 CZ TYR A 87 3.193 -5.469 2.488 1.00 0.00 C ATOM 1249 OH TYR A 87 2.212 -5.710 1.553 1.00 0.00 O ATOM 0 H TYR A 87 8.061 -5.230 3.100 1.00 0.00 H new ATOM 0 HA TYR A 87 8.202 -5.391 6.004 1.00 0.00 H new ATOM 0 HB2 TYR A 87 5.883 -5.012 6.390 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.445 -3.644 5.449 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.544 -6.830 5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.545 -3.194 3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 87 2.798 -7.264 3.579 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.795 -3.623 1.596 1.00 0.00 H new ATOM 0 HH TYR A 87 2.327 -5.101 0.794 1.00 0.00 H new ATOM 1259 N THR A 88 7.214 -7.726 5.885 1.00 0.00 N ATOM 1260 CA THR A 88 6.952 -9.152 5.742 1.00 0.00 C ATOM 1261 C THR A 88 5.690 -9.558 6.494 1.00 0.00 C ATOM 1262 O THR A 88 5.692 -9.729 7.713 1.00 0.00 O ATOM 1263 CB THR A 88 8.135 -9.994 6.256 1.00 0.00 C ATOM 1264 OG1 THR A 88 9.368 -9.459 5.763 1.00 0.00 O ATOM 1265 CG2 THR A 88 7.996 -11.445 5.821 1.00 0.00 C ATOM 0 H THR A 88 7.337 -7.415 6.848 1.00 0.00 H new ATOM 0 HA THR A 88 6.814 -9.343 4.678 1.00 0.00 H new ATOM 0 HB THR A 88 8.133 -9.956 7.345 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.115 -9.999 6.096 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.843 -12.020 6.196 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.071 -11.858 6.223 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.975 -11.498 4.733 1.00 0.00 H new ATOM 1273 N PRO A 89 4.584 -9.717 5.752 1.00 0.00 N ATOM 1274 CA PRO A 89 3.293 -10.107 6.328 1.00 0.00 C ATOM 1275 C PRO A 89 3.290 -11.550 6.819 1.00 0.00 C ATOM 1276 O PRO A 89 3.600 -12.474 6.067 1.00 0.00 O ATOM 1277 CB PRO A 89 2.318 -9.937 5.160 1.00 0.00 C ATOM 1278 CG PRO A 89 3.158 -10.090 3.940 1.00 0.00 C ATOM 1279 CD PRO A 89 4.508 -9.530 4.293 1.00 0.00 C ATOM 0 HA PRO A 89 3.039 -9.509 7.203 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.527 -10.686 5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.834 -8.961 5.187 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.234 -11.137 3.648 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.722 -9.555 3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.310 -10.059 3.778 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.591 -8.479 4.018 1.00 0.00 H new ATOM 1287 N PHE A 90 2.936 -11.738 8.087 1.00 0.00 N ATOM 1288 CA PHE A 90 2.892 -13.070 8.679 1.00 0.00 C ATOM 1289 C PHE A 90 1.464 -13.606 8.706 1.00 0.00 C ATOM 1290 O PHE A 90 1.077 -14.320 9.631 1.00 0.00 O ATOM 1291 CB PHE A 90 3.465 -13.039 10.097 1.00 0.00 C ATOM 1292 CG PHE A 90 3.000 -11.862 10.906 1.00 0.00 C ATOM 1293 CD1 PHE A 90 1.742 -11.856 11.485 1.00 0.00 C ATOM 1294 CD2 PHE A 90 3.822 -10.761 11.087 1.00 0.00 C ATOM 1295 CE1 PHE A 90 1.311 -10.775 12.231 1.00 0.00 C ATOM 1296 CE2 PHE A 90 3.397 -9.677 11.832 1.00 0.00 C ATOM 1297 CZ PHE A 90 2.140 -9.683 12.403 1.00 0.00 C ATOM 0 H PHE A 90 2.676 -10.985 8.724 1.00 0.00 H new ATOM 0 HA PHE A 90 3.499 -13.735 8.064 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.186 -13.958 10.613 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.553 -13.023 10.040 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.090 -12.706 11.352 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.806 -10.750 10.641 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.328 -10.784 12.679 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.048 -8.826 11.967 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.805 -8.836 12.983 1.00 0.00 H new ATOM 1307 N GLU A 91 0.687 -13.256 7.686 1.00 0.00 N ATOM 1308 CA GLU A 91 -0.698 -13.701 7.594 1.00 0.00 C ATOM 1309 C GLU A 91 -1.196 -13.637 6.153 1.00 0.00 C ATOM 1310 O GLU A 91 -1.040 -12.621 5.475 1.00 0.00 O ATOM 1311 CB GLU A 91 -1.593 -12.846 8.493 1.00 0.00 C ATOM 1312 CG GLU A 91 -1.629 -13.314 9.939 1.00 0.00 C ATOM 1313 CD GLU A 91 -2.787 -12.718 10.716 1.00 0.00 C ATOM 1314 OE1 GLU A 91 -3.846 -12.468 10.103 1.00 0.00 O ATOM 1315 OE2 GLU A 91 -2.634 -12.500 11.936 1.00 0.00 O ATOM 0 H GLU A 91 0.993 -12.666 6.912 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.742 -14.737 7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.244 -11.814 8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.607 -12.852 8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.701 -14.401 9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.692 -13.046 10.427 1.00 0.00 H new ATOM 1322 N LYS A 92 -1.796 -14.729 5.692 1.00 0.00 N ATOM 1323 CA LYS A 92 -2.319 -14.798 4.332 1.00 0.00 C ATOM 1324 C LYS A 92 -3.701 -14.159 4.247 1.00 0.00 C ATOM 1325 O LYS A 92 -4.697 -14.755 4.654 1.00 0.00 O ATOM 1326 CB LYS A 92 -2.388 -16.254 3.864 1.00 0.00 C ATOM 1327 CG LYS A 92 -1.026 -16.882 3.627 1.00 0.00 C ATOM 1328 CD LYS A 92 -1.151 -18.286 3.059 1.00 0.00 C ATOM 1329 CE LYS A 92 -1.216 -19.331 4.162 1.00 0.00 C ATOM 1330 NZ LYS A 92 -2.403 -19.137 5.041 1.00 0.00 N ATOM 0 H LYS A 92 -1.932 -15.579 6.240 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.642 -14.245 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.925 -16.841 4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.967 -16.303 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.452 -16.260 2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.472 -16.916 4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.047 -18.351 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.301 -18.494 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.252 -20.326 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.308 -19.282 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.639 -20.035 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.188 -18.418 5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.212 -18.823 4.468 1.00 0.00 H new ATOM 1344 N GLY A 93 -3.754 -12.942 3.713 1.00 0.00 N ATOM 1345 CA GLY A 93 -5.019 -12.243 3.583 1.00 0.00 C ATOM 1346 C GLY A 93 -4.851 -10.835 3.047 1.00 0.00 C ATOM 1347 O GLY A 93 -3.746 -10.429 2.684 1.00 0.00 O ATOM 0 H GLY A 93 -2.943 -12.428 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.675 -12.806 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.510 -12.202 4.555 1.00 0.00 H new ATOM 1351 N LEU A 94 -5.949 -10.090 2.995 1.00 0.00 N ATOM 1352 CA LEU A 94 -5.920 -8.718 2.497 1.00 0.00 C ATOM 1353 C LEU A 94 -5.763 -7.726 3.645 1.00 0.00 C ATOM 1354 O LEU A 94 -6.597 -7.670 4.549 1.00 0.00 O ATOM 1355 CB LEU A 94 -7.197 -8.412 1.713 1.00 0.00 C ATOM 1356 CG LEU A 94 -7.500 -6.932 1.476 1.00 0.00 C ATOM 1357 CD1 LEU A 94 -6.375 -6.275 0.692 1.00 0.00 C ATOM 1358 CD2 LEU A 94 -8.826 -6.769 0.748 1.00 0.00 C ATOM 0 H LEU A 94 -6.870 -10.412 3.291 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.061 -8.616 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.133 -8.909 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.040 -8.855 2.243 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.577 -6.437 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.609 -5.222 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.444 -6.359 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.265 -6.772 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.025 -5.709 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.778 -7.279 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.626 -7.202 1.348 1.00 0.00 H new ATOM 1370 N HIS A 95 -4.690 -6.943 3.600 1.00 0.00 N ATOM 1371 CA HIS A 95 -4.425 -5.949 4.635 1.00 0.00 C ATOM 1372 C HIS A 95 -4.681 -4.539 4.113 1.00 0.00 C ATOM 1373 O HIS A 95 -4.676 -4.303 2.904 1.00 0.00 O ATOM 1374 CB HIS A 95 -2.984 -6.069 5.130 1.00 0.00 C ATOM 1375 CG HIS A 95 -2.410 -7.444 4.976 1.00 0.00 C ATOM 1376 ND1 HIS A 95 -3.057 -8.583 5.407 1.00 0.00 N ATOM 1377 CD2 HIS A 95 -1.242 -7.860 4.432 1.00 0.00 C ATOM 1378 CE1 HIS A 95 -2.311 -9.639 5.136 1.00 0.00 C ATOM 1379 NE2 HIS A 95 -1.205 -9.228 4.544 1.00 0.00 N ATOM 0 H HIS A 95 -3.990 -6.977 2.859 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.103 -6.137 5.467 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.361 -5.361 4.584 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.945 -5.783 6.181 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.481 -7.233 3.992 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.563 -10.665 5.361 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.446 -9.829 4.222 1.00 0.00 H new ATOM 1387 N VAL A 96 -4.904 -3.604 5.031 1.00 0.00 N ATOM 1388 CA VAL A 96 -5.161 -2.217 4.663 1.00 0.00 C ATOM 1389 C VAL A 96 -3.967 -1.329 4.997 1.00 0.00 C ATOM 1390 O VAL A 96 -3.709 -1.030 6.162 1.00 0.00 O ATOM 1391 CB VAL A 96 -6.410 -1.668 5.378 1.00 0.00 C ATOM 1392 CG1 VAL A 96 -6.629 -0.205 5.024 1.00 0.00 C ATOM 1393 CG2 VAL A 96 -7.634 -2.500 5.024 1.00 0.00 C ATOM 0 H VAL A 96 -4.912 -3.782 6.035 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.332 -2.202 3.587 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.251 -1.736 6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.516 0.165 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.761 0.378 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.767 -0.108 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.508 -2.099 5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.798 -2.465 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.474 -3.533 5.334 1.00 0.00 H new ATOM 1403 N VAL A 97 -3.241 -0.910 3.965 1.00 0.00 N ATOM 1404 CA VAL A 97 -2.075 -0.055 4.148 1.00 0.00 C ATOM 1405 C VAL A 97 -2.449 1.418 4.026 1.00 0.00 C ATOM 1406 O VAL A 97 -2.911 1.866 2.978 1.00 0.00 O ATOM 1407 CB VAL A 97 -0.974 -0.380 3.121 1.00 0.00 C ATOM 1408 CG1 VAL A 97 0.208 0.563 3.287 1.00 0.00 C ATOM 1409 CG2 VAL A 97 -0.532 -1.830 3.255 1.00 0.00 C ATOM 0 H VAL A 97 -3.440 -1.149 2.994 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.695 -0.249 5.151 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.383 -0.239 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.975 0.318 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.123 1.591 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.620 0.457 4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.246 -2.042 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.142 -2.000 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.384 -2.488 3.081 1.00 0.00 H new ATOM 1419 N GLU A 98 -2.245 2.166 5.106 1.00 0.00 N ATOM 1420 CA GLU A 98 -2.561 3.589 5.120 1.00 0.00 C ATOM 1421 C GLU A 98 -1.291 4.430 5.026 1.00 0.00 C ATOM 1422 O GLU A 98 -0.500 4.487 5.967 1.00 0.00 O ATOM 1423 CB GLU A 98 -3.332 3.950 6.391 1.00 0.00 C ATOM 1424 CG GLU A 98 -4.815 3.626 6.317 1.00 0.00 C ATOM 1425 CD GLU A 98 -5.444 3.455 7.686 1.00 0.00 C ATOM 1426 OE1 GLU A 98 -5.391 4.412 8.487 1.00 0.00 O ATOM 1427 OE2 GLU A 98 -5.989 2.365 7.956 1.00 0.00 O ATOM 0 H GLU A 98 -1.862 1.810 5.982 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.184 3.805 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.894 3.417 7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.211 5.015 6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.331 4.423 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.955 2.712 5.740 1.00 0.00 H new ATOM 1434 N VAL A 99 -1.102 5.081 3.882 1.00 0.00 N ATOM 1435 CA VAL A 99 0.070 5.919 3.664 1.00 0.00 C ATOM 1436 C VAL A 99 -0.256 7.390 3.893 1.00 0.00 C ATOM 1437 O VAL A 99 -1.286 7.888 3.438 1.00 0.00 O ATOM 1438 CB VAL A 99 0.629 5.743 2.239 1.00 0.00 C ATOM 1439 CG1 VAL A 99 1.919 6.531 2.070 1.00 0.00 C ATOM 1440 CG2 VAL A 99 0.850 4.270 1.932 1.00 0.00 C ATOM 0 H VAL A 99 -1.746 5.044 3.092 1.00 0.00 H new ATOM 0 HA VAL A 99 0.825 5.601 4.384 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.102 6.133 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.299 6.394 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.725 7.589 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.659 6.175 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.245 4.164 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.561 3.852 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.097 3.736 2.009 1.00 0.00 H new ATOM 1450 N THR A 100 0.630 8.084 4.600 1.00 0.00 N ATOM 1451 CA THR A 100 0.437 9.499 4.890 1.00 0.00 C ATOM 1452 C THR A 100 1.734 10.280 4.708 1.00 0.00 C ATOM 1453 O THR A 100 2.730 10.013 5.381 1.00 0.00 O ATOM 1454 CB THR A 100 -0.080 9.713 6.325 1.00 0.00 C ATOM 1455 OG1 THR A 100 0.736 8.990 7.253 1.00 0.00 O ATOM 1456 CG2 THR A 100 -1.526 9.259 6.452 1.00 0.00 C ATOM 0 H THR A 100 1.489 7.689 4.983 1.00 0.00 H new ATOM 0 HA THR A 100 -0.308 9.867 4.184 1.00 0.00 H new ATOM 0 HB THR A 100 -0.029 10.778 6.551 1.00 0.00 H new ATOM 0 HG1 THR A 100 1.679 9.084 7.002 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.869 9.420 7.474 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.149 9.832 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 100 -1.597 8.199 6.208 1.00 0.00 H new ATOM 1464 N TYR A 101 1.715 11.245 3.796 1.00 0.00 N ATOM 1465 CA TYR A 101 2.890 12.064 3.525 1.00 0.00 C ATOM 1466 C TYR A 101 2.747 13.448 4.151 1.00 0.00 C ATOM 1467 O TYR A 101 1.842 14.207 3.805 1.00 0.00 O ATOM 1468 CB TYR A 101 3.110 12.194 2.017 1.00 0.00 C ATOM 1469 CG TYR A 101 4.423 12.847 1.650 1.00 0.00 C ATOM 1470 CD1 TYR A 101 4.699 14.157 2.024 1.00 0.00 C ATOM 1471 CD2 TYR A 101 5.388 12.155 0.929 1.00 0.00 C ATOM 1472 CE1 TYR A 101 5.897 14.758 1.691 1.00 0.00 C ATOM 1473 CE2 TYR A 101 6.590 12.748 0.593 1.00 0.00 C ATOM 1474 CZ TYR A 101 6.840 14.049 0.976 1.00 0.00 C ATOM 1475 OH TYR A 101 8.035 14.643 0.641 1.00 0.00 O ATOM 0 H TYR A 101 0.898 11.479 3.232 1.00 0.00 H new ATOM 0 HA TYR A 101 3.755 11.572 3.971 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.068 11.203 1.566 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.293 12.774 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.964 14.715 2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.195 11.136 0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.094 15.777 1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.330 12.195 0.033 1.00 0.00 H new ATOM 0 HH TYR A 101 8.727 13.956 0.548 1.00 0.00 H new ATOM 1485 N ASP A 102 3.647 13.769 5.073 1.00 0.00 N ATOM 1486 CA ASP A 102 3.623 15.062 5.748 1.00 0.00 C ATOM 1487 C ASP A 102 2.283 15.289 6.440 1.00 0.00 C ATOM 1488 O ASP A 102 1.693 16.365 6.334 1.00 0.00 O ATOM 1489 CB ASP A 102 3.893 16.187 4.748 1.00 0.00 C ATOM 1490 CG ASP A 102 4.120 17.523 5.427 1.00 0.00 C ATOM 1491 OD1 ASP A 102 4.756 17.542 6.502 1.00 0.00 O ATOM 1492 OD2 ASP A 102 3.661 18.550 4.884 1.00 0.00 O ATOM 0 H ASP A 102 4.403 13.152 5.371 1.00 0.00 H new ATOM 0 HA ASP A 102 4.407 15.064 6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.768 15.934 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.050 16.270 4.062 1.00 0.00 H new ATOM 1497 N ASP A 103 1.808 14.270 7.146 1.00 0.00 N ATOM 1498 CA ASP A 103 0.537 14.358 7.856 1.00 0.00 C ATOM 1499 C ASP A 103 -0.620 14.538 6.878 1.00 0.00 C ATOM 1500 O ASP A 103 -1.643 15.135 7.214 1.00 0.00 O ATOM 1501 CB ASP A 103 0.564 15.519 8.852 1.00 0.00 C ATOM 1502 CG ASP A 103 -0.732 15.646 9.628 1.00 0.00 C ATOM 1503 OD1 ASP A 103 -1.082 14.696 10.360 1.00 0.00 O ATOM 1504 OD2 ASP A 103 -1.396 16.697 9.505 1.00 0.00 O ATOM 0 H ASP A 103 2.284 13.373 7.242 1.00 0.00 H new ATOM 0 HA ASP A 103 0.388 13.426 8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.389 15.376 9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.756 16.449 8.317 1.00 0.00 H new ATOM 1509 N VAL A 104 -0.451 14.018 5.667 1.00 0.00 N ATOM 1510 CA VAL A 104 -1.481 14.121 4.640 1.00 0.00 C ATOM 1511 C VAL A 104 -1.560 12.844 3.811 1.00 0.00 C ATOM 1512 O VAL A 104 -0.590 12.421 3.182 1.00 0.00 O ATOM 1513 CB VAL A 104 -1.219 15.314 3.700 1.00 0.00 C ATOM 1514 CG1 VAL A 104 -2.278 15.376 2.610 1.00 0.00 C ATOM 1515 CG2 VAL A 104 -1.177 16.614 4.489 1.00 0.00 C ATOM 0 H VAL A 104 0.390 13.521 5.373 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.428 14.275 5.156 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.249 15.174 3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.077 16.224 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.255 14.455 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.262 15.493 3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.991 17.446 3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.131 16.764 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.379 16.565 5.229 1.00 0.00 H new ATOM 1525 N PRO A 105 -2.744 12.213 3.810 1.00 0.00 N ATOM 1526 CA PRO A 105 -2.980 10.974 3.062 1.00 0.00 C ATOM 1527 C PRO A 105 -2.988 11.200 1.554 1.00 0.00 C ATOM 1528 O PRO A 105 -3.201 12.319 1.086 1.00 0.00 O ATOM 1529 CB PRO A 105 -4.362 10.527 3.543 1.00 0.00 C ATOM 1530 CG PRO A 105 -5.032 11.781 3.988 1.00 0.00 C ATOM 1531 CD PRO A 105 -3.943 12.660 4.538 1.00 0.00 C ATOM 0 HA PRO A 105 -2.195 10.238 3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.922 10.041 2.743 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.284 9.809 4.359 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.543 12.267 3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.786 11.572 4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.151 13.715 4.361 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.830 12.534 5.615 1.00 0.00 H new ATOM 1539 N ILE A 106 -2.754 10.132 0.799 1.00 0.00 N ATOM 1540 CA ILE A 106 -2.737 10.215 -0.656 1.00 0.00 C ATOM 1541 C ILE A 106 -4.045 9.706 -1.252 1.00 0.00 C ATOM 1542 O ILE A 106 -4.762 8.908 -0.648 1.00 0.00 O ATOM 1543 CB ILE A 106 -1.567 9.409 -1.252 1.00 0.00 C ATOM 1544 CG1 ILE A 106 -1.456 8.046 -0.564 1.00 0.00 C ATOM 1545 CG2 ILE A 106 -0.266 10.185 -1.116 1.00 0.00 C ATOM 1546 CD1 ILE A 106 -0.391 7.153 -1.161 1.00 0.00 C ATOM 0 H ILE A 106 -2.574 9.199 1.171 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.610 11.267 -0.910 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.760 9.245 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.240 8.198 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.419 7.539 -0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.551 9.603 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.351 11.133 -1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.065 10.376 -0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.369 6.205 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.616 6.970 -2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.581 7.640 -1.078 1.00 0.00 H new ATOM 1558 N PRO A 107 -4.365 10.177 -2.466 1.00 0.00 N ATOM 1559 CA PRO A 107 -5.588 9.782 -3.172 1.00 0.00 C ATOM 1560 C PRO A 107 -5.544 8.331 -3.638 1.00 0.00 C ATOM 1561 O PRO A 107 -6.469 7.852 -4.293 1.00 0.00 O ATOM 1562 CB PRO A 107 -5.625 10.729 -4.374 1.00 0.00 C ATOM 1563 CG PRO A 107 -4.203 11.108 -4.602 1.00 0.00 C ATOM 1564 CD PRO A 107 -3.557 11.131 -3.244 1.00 0.00 C ATOM 0 HA PRO A 107 -6.468 9.849 -2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.050 10.240 -5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -6.240 11.605 -4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.708 10.391 -5.257 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.132 12.083 -5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.511 10.827 -3.291 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.580 12.128 -2.805 1.00 0.00 H new ATOM 1572 N ASN A 108 -4.464 7.636 -3.295 1.00 0.00 N ATOM 1573 CA ASN A 108 -4.301 6.238 -3.680 1.00 0.00 C ATOM 1574 C ASN A 108 -4.539 5.315 -2.488 1.00 0.00 C ATOM 1575 O ASN A 108 -4.743 4.113 -2.653 1.00 0.00 O ATOM 1576 CB ASN A 108 -2.900 6.005 -4.248 1.00 0.00 C ATOM 1577 CG ASN A 108 -2.434 7.149 -5.127 1.00 0.00 C ATOM 1578 OD1 ASN A 108 -1.408 7.774 -4.859 1.00 0.00 O ATOM 1579 ND2 ASN A 108 -3.189 7.429 -6.183 1.00 0.00 N ATOM 0 H ASN A 108 -3.689 8.017 -2.752 1.00 0.00 H new ATOM 0 HA ASN A 108 -5.040 6.009 -4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.196 5.871 -3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -2.895 5.081 -4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -2.926 8.189 -6.811 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -4.032 6.884 -6.366 1.00 0.00 H new ATOM 1586 N SER A 109 -4.513 5.888 -1.289 1.00 0.00 N ATOM 1587 CA SER A 109 -4.722 5.116 -0.069 1.00 0.00 C ATOM 1588 C SER A 109 -6.137 5.319 0.466 1.00 0.00 C ATOM 1589 O SER A 109 -6.824 6.283 0.126 1.00 0.00 O ATOM 1590 CB SER A 109 -3.700 5.518 0.996 1.00 0.00 C ATOM 1591 OG SER A 109 -2.543 4.702 0.925 1.00 0.00 O ATOM 0 H SER A 109 -4.349 6.883 -1.136 1.00 0.00 H new ATOM 0 HA SER A 109 -4.590 4.061 -0.309 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.421 6.563 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.149 5.433 1.986 1.00 0.00 H new ATOM 0 HG SER A 109 -2.553 4.192 0.088 1.00 0.00 H new ATOM 1597 N PRO A 110 -6.583 4.390 1.323 1.00 0.00 N ATOM 1598 CA PRO A 110 -5.774 3.239 1.735 1.00 0.00 C ATOM 1599 C PRO A 110 -5.573 2.238 0.602 1.00 0.00 C ATOM 1600 O PRO A 110 -6.283 2.271 -0.403 1.00 0.00 O ATOM 1601 CB PRO A 110 -6.598 2.612 2.863 1.00 0.00 C ATOM 1602 CG PRO A 110 -8.001 3.027 2.583 1.00 0.00 C ATOM 1603 CD PRO A 110 -7.912 4.391 1.958 1.00 0.00 C ATOM 0 HA PRO A 110 -4.769 3.533 2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.500 1.526 2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.267 2.967 3.839 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.490 2.321 1.912 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.590 3.055 3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.706 4.551 1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.000 5.181 2.704 1.00 0.00 H new ATOM 1611 N PHE A 111 -4.601 1.347 0.772 1.00 0.00 N ATOM 1612 CA PHE A 111 -4.306 0.336 -0.237 1.00 0.00 C ATOM 1613 C PHE A 111 -4.829 -1.031 0.194 1.00 0.00 C ATOM 1614 O PHE A 111 -5.184 -1.235 1.355 1.00 0.00 O ATOM 1615 CB PHE A 111 -2.799 0.262 -0.489 1.00 0.00 C ATOM 1616 CG PHE A 111 -2.291 1.333 -1.410 1.00 0.00 C ATOM 1617 CD1 PHE A 111 -2.549 1.275 -2.771 1.00 0.00 C ATOM 1618 CD2 PHE A 111 -1.556 2.399 -0.917 1.00 0.00 C ATOM 1619 CE1 PHE A 111 -2.084 2.260 -3.621 1.00 0.00 C ATOM 1620 CE2 PHE A 111 -1.089 3.387 -1.762 1.00 0.00 C ATOM 1621 CZ PHE A 111 -1.352 3.317 -3.117 1.00 0.00 C ATOM 0 H PHE A 111 -4.005 1.305 1.598 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.808 0.623 -1.161 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.276 0.336 0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.557 -0.713 -0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.120 0.450 -3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.346 2.458 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.293 2.203 -4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.519 4.213 -1.364 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.986 4.087 -3.780 1.00 0.00 H new ATOM 1631 N LYS A 112 -4.875 -1.965 -0.750 1.00 0.00 N ATOM 1632 CA LYS A 112 -5.353 -3.313 -0.471 1.00 0.00 C ATOM 1633 C LYS A 112 -4.387 -4.358 -1.020 1.00 0.00 C ATOM 1634 O LYS A 112 -4.298 -4.560 -2.231 1.00 0.00 O ATOM 1635 CB LYS A 112 -6.743 -3.519 -1.078 1.00 0.00 C ATOM 1636 CG LYS A 112 -7.877 -3.095 -0.160 1.00 0.00 C ATOM 1637 CD LYS A 112 -9.106 -2.676 -0.949 1.00 0.00 C ATOM 1638 CE LYS A 112 -10.135 -1.997 -0.059 1.00 0.00 C ATOM 1639 NZ LYS A 112 -10.670 -2.923 0.977 1.00 0.00 N ATOM 0 H LYS A 112 -4.586 -1.812 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.414 -3.433 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.811 -2.956 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.867 -4.572 -1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.134 -3.919 0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.548 -2.268 0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.812 -1.997 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.553 -3.551 -1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.682 -1.133 0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.956 -1.625 -0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.381 -2.427 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.110 -3.744 0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.893 -3.245 1.589 1.00 0.00 H new ATOM 1653 N VAL A 113 -3.667 -5.022 -0.121 1.00 0.00 N ATOM 1654 CA VAL A 113 -2.709 -6.048 -0.515 1.00 0.00 C ATOM 1655 C VAL A 113 -3.267 -7.445 -0.267 1.00 0.00 C ATOM 1656 O VAL A 113 -3.216 -7.954 0.852 1.00 0.00 O ATOM 1657 CB VAL A 113 -1.378 -5.896 0.245 1.00 0.00 C ATOM 1658 CG1 VAL A 113 -0.427 -7.028 -0.111 1.00 0.00 C ATOM 1659 CG2 VAL A 113 -0.747 -4.544 -0.052 1.00 0.00 C ATOM 0 H VAL A 113 -3.729 -4.867 0.885 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.526 -5.917 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.582 -5.949 1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.508 -6.903 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.880 -7.982 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.226 -7.011 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.193 -4.453 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.556 -4.459 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.425 -3.750 0.260 1.00 0.00 H new ATOM 1669 N ALA A 114 -3.799 -8.059 -1.319 1.00 0.00 N ATOM 1670 CA ALA A 114 -4.364 -9.399 -1.216 1.00 0.00 C ATOM 1671 C ALA A 114 -3.276 -10.463 -1.313 1.00 0.00 C ATOM 1672 O ALA A 114 -2.933 -10.917 -2.404 1.00 0.00 O ATOM 1673 CB ALA A 114 -5.413 -9.613 -2.297 1.00 0.00 C ATOM 0 H ALA A 114 -3.851 -7.650 -2.252 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.840 -9.492 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.827 -10.618 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.211 -8.880 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.954 -9.495 -3.278 1.00 0.00 H new ATOM 1679 N VAL A 115 -2.735 -10.856 -0.164 1.00 0.00 N ATOM 1680 CA VAL A 115 -1.686 -11.868 -0.120 1.00 0.00 C ATOM 1681 C VAL A 115 -2.248 -13.256 -0.407 1.00 0.00 C ATOM 1682 O VAL A 115 -3.301 -13.631 0.110 1.00 0.00 O ATOM 1683 CB VAL A 115 -0.980 -11.885 1.249 1.00 0.00 C ATOM 1684 CG1 VAL A 115 0.007 -13.039 1.327 1.00 0.00 C ATOM 1685 CG2 VAL A 115 -0.283 -10.557 1.505 1.00 0.00 C ATOM 0 H VAL A 115 -3.006 -10.489 0.748 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.962 -11.606 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.732 -12.030 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.496 -13.034 2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.524 -13.981 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.757 -12.929 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.211 -10.586 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.459 -10.379 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.018 -9.752 1.496 1.00 0.00 H new ATOM 1695 N THR A 116 -1.538 -14.016 -1.235 1.00 0.00 N ATOM 1696 CA THR A 116 -1.966 -15.363 -1.592 1.00 0.00 C ATOM 1697 C THR A 116 -0.950 -16.402 -1.131 1.00 0.00 C ATOM 1698 O THR A 116 0.207 -16.077 -0.866 1.00 0.00 O ATOM 1699 CB THR A 116 -2.172 -15.502 -3.112 1.00 0.00 C ATOM 1700 OG1 THR A 116 -2.598 -16.832 -3.429 1.00 0.00 O ATOM 1701 CG2 THR A 116 -0.889 -15.182 -3.864 1.00 0.00 C ATOM 0 H THR A 116 -0.664 -13.722 -1.671 1.00 0.00 H new ATOM 0 HA THR A 116 -2.916 -15.538 -1.087 1.00 0.00 H new ATOM 0 HB THR A 116 -2.940 -14.792 -3.419 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.728 -16.912 -4.397 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.059 -15.287 -4.935 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.584 -14.159 -3.644 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.103 -15.870 -3.552 1.00 0.00 H new ATOM 1709 N GLU A 117 -1.391 -17.653 -1.039 1.00 0.00 N ATOM 1710 CA GLU A 117 -0.519 -18.740 -0.610 1.00 0.00 C ATOM 1711 C GLU A 117 0.699 -18.853 -1.523 1.00 0.00 C ATOM 1712 O GLU A 117 0.585 -19.247 -2.682 1.00 0.00 O ATOM 1713 CB GLU A 117 -1.285 -20.064 -0.598 1.00 0.00 C ATOM 1714 CG GLU A 117 -2.095 -20.287 0.668 1.00 0.00 C ATOM 1715 CD GLU A 117 -2.686 -21.681 0.745 1.00 0.00 C ATOM 1716 OE1 GLU A 117 -3.716 -21.926 0.083 1.00 0.00 O ATOM 1717 OE2 GLU A 117 -2.118 -22.527 1.467 1.00 0.00 O ATOM 0 H GLU A 117 -2.346 -17.938 -1.256 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.175 -18.518 0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.954 -20.095 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.577 -20.885 -0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.458 -20.118 1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.899 -19.553 0.714 1.00 0.00 H new