USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 44 TYR OH : rot -40:sc= 1.05 USER MOD Set 1.2: A 89 THR OG1 : rot -143:sc= 1.08 USER MOD Set 2.1: A 47 TYR OH : rot -33:sc= 1.2 USER MOD Set 2.2: A 108 LYS NZ :NH3+ 137:sc= 1.12 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= -0.359 (180deg=-1.63!) USER MOD Single : A 18 GLN : amide:sc= -2.82! C(o=-2.8!,f=-3.1!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -156:sc= -0.87 (180deg=-1.92) USER MOD Single : A 30 SER OG : rot 180:sc= -0.103 USER MOD Single : A 34 ASN : amide:sc= -5.62! C(o=-5.6!,f=-13!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 140:sc= -0.81 (180deg=-3.82!) USER MOD Single : A 42 SER OG : rot -85:sc= 1.35 USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0151) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.307 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -125:sc= 0.695 (180deg=-1.51) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 120:sc= -0.0817 USER MOD ----------------------------------------------------------------- ATOM 192 N LYS A 13 1.558 -0.793 11.986 1.00 0.00 N ATOM 193 CA LYS A 13 1.574 -1.306 10.620 1.00 0.00 C ATOM 194 C LYS A 13 0.546 -0.567 9.765 1.00 0.00 C ATOM 195 O LYS A 13 -0.514 -0.178 10.252 1.00 0.00 O ATOM 196 CB LYS A 13 1.275 -2.812 10.625 1.00 0.00 C ATOM 197 CG LYS A 13 1.054 -3.416 9.243 1.00 0.00 C ATOM 198 CD LYS A 13 2.338 -4.000 8.677 1.00 0.00 C ATOM 199 CE LYS A 13 2.792 -5.219 9.464 1.00 0.00 C ATOM 200 NZ LYS A 13 2.440 -6.490 8.774 1.00 0.00 N ATOM 0 HA LYS A 13 2.563 -1.142 10.193 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.102 -3.332 11.107 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.388 -2.992 11.232 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.294 -4.195 9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.673 -2.650 8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.184 -4.276 7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.122 -3.242 8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.871 -5.174 9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.333 -5.204 10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.767 -7.296 9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.408 -6.546 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.898 -6.517 7.841 1.00 0.00 H new ATOM 214 N PRO A 14 0.859 -0.347 8.472 1.00 0.00 N ATOM 215 CA PRO A 14 -0.038 0.367 7.557 1.00 0.00 C ATOM 216 C PRO A 14 -1.384 -0.326 7.419 1.00 0.00 C ATOM 217 O PRO A 14 -1.513 -1.519 7.692 1.00 0.00 O ATOM 218 CB PRO A 14 0.711 0.345 6.219 1.00 0.00 C ATOM 219 CG PRO A 14 2.137 0.105 6.578 1.00 0.00 C ATOM 220 CD PRO A 14 2.111 -0.754 7.809 1.00 0.00 C ATOM 0 HA PRO A 14 -0.263 1.372 7.914 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.331 -0.441 5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.592 1.288 5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.666 -0.393 5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.656 1.045 6.768 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.109 -1.815 7.560 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.980 -0.577 8.443 1.00 0.00 H new ATOM 228 N VAL A 15 -2.391 0.433 7.004 1.00 0.00 N ATOM 229 CA VAL A 15 -3.731 -0.105 6.846 1.00 0.00 C ATOM 230 C VAL A 15 -3.832 -1.014 5.624 1.00 0.00 C ATOM 231 O VAL A 15 -3.651 -0.575 4.478 1.00 0.00 O ATOM 232 CB VAL A 15 -4.782 1.017 6.749 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.667 1.958 7.941 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.643 1.781 5.440 1.00 0.00 C ATOM 0 H VAL A 15 -2.302 1.422 6.772 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.936 -0.699 7.737 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.772 0.561 6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.417 2.745 7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.829 1.399 8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.673 2.404 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.396 2.568 5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.650 2.226 5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.783 1.097 4.603 1.00 0.00 H new ATOM 244 N LYS A 16 -4.130 -2.284 5.889 1.00 0.00 N ATOM 245 CA LYS A 16 -4.276 -3.286 4.841 1.00 0.00 C ATOM 246 C LYS A 16 -5.735 -3.718 4.737 1.00 0.00 C ATOM 247 O LYS A 16 -6.465 -3.702 5.728 1.00 0.00 O ATOM 248 CB LYS A 16 -3.388 -4.500 5.134 1.00 0.00 C ATOM 249 CG LYS A 16 -3.596 -5.092 6.518 1.00 0.00 C ATOM 250 CD LYS A 16 -3.355 -6.594 6.522 1.00 0.00 C ATOM 251 CE LYS A 16 -2.156 -6.968 7.378 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.185 -6.285 8.702 1.00 0.00 N ATOM 0 H LYS A 16 -4.276 -2.644 6.832 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.964 -2.849 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.582 -5.269 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.343 -4.209 5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.920 -4.612 7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.611 -4.884 6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.243 -7.104 6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.195 -6.940 5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.138 -8.048 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.238 -6.704 6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.700 -6.875 9.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.703 -5.366 8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.172 -6.136 8.994 1.00 0.00 H new ATOM 266 N PHE A 17 -6.164 -4.098 3.538 1.00 0.00 N ATOM 267 CA PHE A 17 -7.544 -4.521 3.330 1.00 0.00 C ATOM 268 C PHE A 17 -7.643 -5.582 2.241 1.00 0.00 C ATOM 269 O PHE A 17 -6.691 -5.817 1.500 1.00 0.00 O ATOM 270 CB PHE A 17 -8.413 -3.319 2.958 1.00 0.00 C ATOM 271 CG PHE A 17 -7.832 -2.477 1.855 1.00 0.00 C ATOM 272 CD1 PHE A 17 -7.986 -2.845 0.527 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.134 -1.316 2.148 1.00 0.00 C ATOM 274 CE1 PHE A 17 -7.454 -2.071 -0.488 1.00 0.00 C ATOM 275 CE2 PHE A 17 -6.601 -0.541 1.138 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.759 -0.915 -0.180 1.00 0.00 C ATOM 0 H PHE A 17 -5.581 -4.122 2.701 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.902 -4.956 4.263 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.398 -3.673 2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.557 -2.697 3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.528 -3.747 0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.006 -1.015 3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.581 -2.368 -1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.059 0.361 1.380 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.342 -0.307 -0.969 1.00 0.00 H new ATOM 286 N GLN A 18 -8.807 -6.216 2.149 1.00 0.00 N ATOM 287 CA GLN A 18 -9.038 -7.248 1.146 1.00 0.00 C ATOM 288 C GLN A 18 -9.876 -6.700 -0.004 1.00 0.00 C ATOM 289 O GLN A 18 -10.939 -6.120 0.212 1.00 0.00 O ATOM 290 CB GLN A 18 -9.738 -8.456 1.772 1.00 0.00 C ATOM 291 CG GLN A 18 -9.266 -9.786 1.213 1.00 0.00 C ATOM 292 CD GLN A 18 -10.413 -10.685 0.806 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.389 -10.234 0.206 1.00 0.00 O ATOM 294 NE2 GLN A 18 -10.304 -11.965 1.131 1.00 0.00 N ATOM 0 H GLN A 18 -9.605 -6.033 2.757 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.071 -7.565 0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.572 -8.444 2.849 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.813 -8.365 1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.626 -9.606 0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.658 -10.295 1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.477 -12.296 1.628 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.047 -12.619 0.884 1.00 0.00 H new ATOM 303 N LEU A 19 -9.387 -6.882 -1.227 1.00 0.00 N ATOM 304 CA LEU A 19 -10.092 -6.399 -2.408 1.00 0.00 C ATOM 305 C LEU A 19 -10.684 -7.555 -3.211 1.00 0.00 C ATOM 306 O LEU A 19 -11.683 -7.387 -3.911 1.00 0.00 O ATOM 307 CB LEU A 19 -9.149 -5.572 -3.287 1.00 0.00 C ATOM 308 CG LEU A 19 -9.368 -4.058 -3.234 1.00 0.00 C ATOM 309 CD1 LEU A 19 -8.507 -3.362 -4.276 1.00 0.00 C ATOM 310 CD2 LEU A 19 -10.836 -3.720 -3.447 1.00 0.00 C ATOM 0 H LEU A 19 -8.508 -7.359 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.914 -5.766 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.122 -5.785 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.258 -5.903 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.074 -3.703 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.674 -2.286 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.456 -3.576 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.773 -3.725 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.970 -2.639 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.157 -4.088 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.435 -4.190 -2.667 1.00 0.00 H new ATOM 322 N GLU A 20 -10.066 -8.728 -3.107 1.00 0.00 N ATOM 323 CA GLU A 20 -10.541 -9.905 -3.829 1.00 0.00 C ATOM 324 C GLU A 20 -10.940 -11.016 -2.864 1.00 0.00 C ATOM 325 O GLU A 20 -10.314 -11.205 -1.823 1.00 0.00 O ATOM 326 CB GLU A 20 -9.464 -10.412 -4.790 1.00 0.00 C ATOM 327 CG GLU A 20 -8.855 -9.318 -5.652 1.00 0.00 C ATOM 328 CD GLU A 20 -8.843 -9.675 -7.127 1.00 0.00 C ATOM 329 OE1 GLU A 20 -7.739 -9.838 -7.689 1.00 0.00 O ATOM 330 OE2 GLU A 20 -9.936 -9.792 -7.718 1.00 0.00 O ATOM 0 H GLU A 20 -9.239 -8.889 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.422 -9.614 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.673 -10.893 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.896 -11.175 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.416 -8.394 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.835 -9.125 -5.320 1.00 0.00 H new ATOM 337 N ASP A 21 -11.989 -11.749 -3.222 1.00 0.00 N ATOM 338 CA ASP A 21 -12.486 -12.846 -2.399 1.00 0.00 C ATOM 339 C ASP A 21 -11.483 -13.999 -2.328 1.00 0.00 C ATOM 340 O ASP A 21 -11.636 -14.913 -1.517 1.00 0.00 O ATOM 341 CB ASP A 21 -13.821 -13.354 -2.948 1.00 0.00 C ATOM 342 CG ASP A 21 -14.807 -13.692 -1.846 1.00 0.00 C ATOM 343 OD1 ASP A 21 -14.360 -13.993 -0.720 1.00 0.00 O ATOM 344 OD2 ASP A 21 -16.028 -13.657 -2.112 1.00 0.00 O ATOM 0 H ASP A 21 -12.515 -11.601 -4.083 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.629 -12.462 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.255 -12.596 -3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.646 -14.239 -3.560 1.00 0.00 H new ATOM 349 N ASP A 22 -10.468 -13.963 -3.187 1.00 0.00 N ATOM 350 CA ASP A 22 -9.460 -15.017 -3.221 1.00 0.00 C ATOM 351 C ASP A 22 -8.400 -14.824 -2.136 1.00 0.00 C ATOM 352 O ASP A 22 -7.498 -15.648 -1.989 1.00 0.00 O ATOM 353 CB ASP A 22 -8.790 -15.062 -4.596 1.00 0.00 C ATOM 354 CG ASP A 22 -9.759 -15.441 -5.698 1.00 0.00 C ATOM 355 OD1 ASP A 22 -10.712 -14.671 -5.941 1.00 0.00 O ATOM 356 OD2 ASP A 22 -9.565 -16.507 -6.318 1.00 0.00 O ATOM 0 H ASP A 22 -10.322 -13.217 -3.867 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.968 -15.962 -3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.355 -14.087 -4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.970 -15.780 -4.574 1.00 0.00 H new ATOM 361 N GLY A 23 -8.516 -13.742 -1.368 1.00 0.00 N ATOM 362 CA GLY A 23 -7.560 -13.488 -0.306 1.00 0.00 C ATOM 363 C GLY A 23 -6.527 -12.440 -0.674 1.00 0.00 C ATOM 364 O GLY A 23 -5.426 -12.430 -0.123 1.00 0.00 O ATOM 0 H GLY A 23 -9.251 -13.041 -1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.095 -13.164 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.051 -14.418 -0.053 1.00 0.00 H new ATOM 368 N GLU A 24 -6.878 -11.554 -1.599 1.00 0.00 N ATOM 369 CA GLU A 24 -5.963 -10.499 -2.022 1.00 0.00 C ATOM 370 C GLU A 24 -5.974 -9.348 -1.025 1.00 0.00 C ATOM 371 O GLU A 24 -6.998 -8.692 -0.832 1.00 0.00 O ATOM 372 CB GLU A 24 -6.342 -9.984 -3.411 1.00 0.00 C ATOM 373 CG GLU A 24 -6.189 -11.021 -4.512 1.00 0.00 C ATOM 374 CD GLU A 24 -4.812 -11.654 -4.529 1.00 0.00 C ATOM 375 OE1 GLU A 24 -3.816 -10.916 -4.371 1.00 0.00 O ATOM 376 OE2 GLU A 24 -4.727 -12.889 -4.700 1.00 0.00 O ATOM 0 H GLU A 24 -7.784 -11.544 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.958 -10.920 -2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.376 -9.639 -3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.722 -9.120 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.941 -11.799 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.381 -10.552 -5.477 1.00 0.00 H new ATOM 383 N PHE A 25 -4.831 -9.105 -0.394 1.00 0.00 N ATOM 384 CA PHE A 25 -4.717 -8.033 0.582 1.00 0.00 C ATOM 385 C PHE A 25 -3.820 -6.915 0.065 1.00 0.00 C ATOM 386 O PHE A 25 -2.738 -7.163 -0.466 1.00 0.00 O ATOM 387 CB PHE A 25 -4.172 -8.571 1.906 1.00 0.00 C ATOM 388 CG PHE A 25 -5.247 -8.959 2.880 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.630 -8.096 3.897 1.00 0.00 C ATOM 390 CD2 PHE A 25 -5.877 -10.189 2.777 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.621 -8.456 4.791 1.00 0.00 C ATOM 392 CE2 PHE A 25 -6.867 -10.553 3.667 1.00 0.00 C ATOM 393 CZ PHE A 25 -7.241 -9.686 4.676 1.00 0.00 C ATOM 0 H PHE A 25 -3.973 -9.636 -0.542 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.714 -7.624 0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.543 -9.439 1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.535 -7.814 2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.149 -7.134 3.991 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.590 -10.871 1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.911 -7.777 5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.349 -11.515 3.575 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.016 -9.969 5.373 1.00 0.00 H new ATOM 403 N TYR A 26 -4.283 -5.683 0.226 1.00 0.00 N ATOM 404 CA TYR A 26 -3.535 -4.517 -0.216 1.00 0.00 C ATOM 405 C TYR A 26 -3.361 -3.529 0.927 1.00 0.00 C ATOM 406 O TYR A 26 -4.019 -3.635 1.959 1.00 0.00 O ATOM 407 CB TYR A 26 -4.240 -3.832 -1.384 1.00 0.00 C ATOM 408 CG TYR A 26 -4.306 -4.680 -2.633 1.00 0.00 C ATOM 409 CD1 TYR A 26 -5.282 -5.657 -2.788 1.00 0.00 C ATOM 410 CD2 TYR A 26 -3.388 -4.502 -3.657 1.00 0.00 C ATOM 411 CE1 TYR A 26 -5.339 -6.433 -3.932 1.00 0.00 C ATOM 412 CE2 TYR A 26 -3.438 -5.270 -4.802 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.415 -6.234 -4.936 1.00 0.00 C ATOM 414 OH TYR A 26 -4.468 -7.002 -6.077 1.00 0.00 O ATOM 0 H TYR A 26 -5.179 -5.466 0.662 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.553 -4.855 -0.547 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.253 -3.567 -1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.722 -2.901 -1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.007 -5.813 -2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.620 -3.749 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.102 -7.190 -4.038 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.715 -5.117 -5.590 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.747 -6.735 -6.685 1.00 0.00 H new ATOM 424 N MET A 27 -2.471 -2.568 0.730 1.00 0.00 N ATOM 425 CA MET A 27 -2.203 -1.551 1.738 1.00 0.00 C ATOM 426 C MET A 27 -2.210 -0.164 1.111 1.00 0.00 C ATOM 427 O MET A 27 -1.808 0.002 -0.042 1.00 0.00 O ATOM 428 CB MET A 27 -0.851 -1.809 2.406 1.00 0.00 C ATOM 429 CG MET A 27 -0.945 -2.672 3.652 1.00 0.00 C ATOM 430 SD MET A 27 -0.275 -4.328 3.405 1.00 0.00 S ATOM 431 CE MET A 27 1.072 -4.326 4.585 1.00 0.00 C ATOM 0 H MET A 27 -1.919 -2.470 -0.122 1.00 0.00 H new ATOM 0 HA MET A 27 -2.989 -1.601 2.492 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.187 -2.291 1.689 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.397 -0.854 2.669 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.409 -2.186 4.467 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.988 -2.749 3.958 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.823 -5.055 4.281 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.523 -3.334 4.621 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.691 -4.587 5.572 1.00 0.00 H new ATOM 441 N ILE A 28 -2.663 0.832 1.866 1.00 0.00 N ATOM 442 CA ILE A 28 -2.702 2.198 1.350 1.00 0.00 C ATOM 443 C ILE A 28 -1.305 2.817 1.341 1.00 0.00 C ATOM 444 O ILE A 28 -0.635 2.888 2.375 1.00 0.00 O ATOM 445 CB ILE A 28 -3.663 3.099 2.149 1.00 0.00 C ATOM 446 CG1 ILE A 28 -4.992 2.383 2.383 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.896 4.402 1.401 1.00 0.00 C ATOM 448 CD1 ILE A 28 -6.009 3.220 3.130 1.00 0.00 C ATOM 0 H ILE A 28 -3.003 0.724 2.821 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.076 2.133 0.328 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.212 3.321 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.412 2.090 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.807 1.466 2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.576 5.033 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.946 4.920 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.333 4.188 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.927 2.647 3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.610 3.491 4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.223 4.125 2.562 1.00 0.00 H new ATOM 460 N GLY A 29 -0.870 3.252 0.159 1.00 0.00 N ATOM 461 CA GLY A 29 0.451 3.840 0.018 1.00 0.00 C ATOM 462 C GLY A 29 0.690 4.996 0.965 1.00 0.00 C ATOM 463 O GLY A 29 1.824 5.239 1.377 1.00 0.00 O ATOM 0 H GLY A 29 -1.411 3.207 -0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.205 3.072 0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.581 4.185 -1.008 1.00 0.00 H new ATOM 467 N SER A 30 -0.372 5.703 1.324 1.00 0.00 N ATOM 468 CA SER A 30 -0.251 6.826 2.244 1.00 0.00 C ATOM 469 C SER A 30 0.275 6.342 3.590 1.00 0.00 C ATOM 470 O SER A 30 1.135 6.982 4.206 1.00 0.00 O ATOM 471 CB SER A 30 -1.604 7.516 2.425 1.00 0.00 C ATOM 472 OG SER A 30 -2.440 6.778 3.299 1.00 0.00 O ATOM 0 H SER A 30 -1.320 5.521 0.996 1.00 0.00 H new ATOM 0 HA SER A 30 0.452 7.546 1.826 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.454 8.520 2.822 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.092 7.626 1.457 1.00 0.00 H new ATOM 0 HG SER A 30 -3.298 7.241 3.399 1.00 0.00 H new ATOM 478 N GLU A 31 -0.235 5.196 4.033 1.00 0.00 N ATOM 479 CA GLU A 31 0.191 4.616 5.298 1.00 0.00 C ATOM 480 C GLU A 31 1.607 4.081 5.180 1.00 0.00 C ATOM 481 O GLU A 31 2.433 4.272 6.072 1.00 0.00 O ATOM 482 CB GLU A 31 -0.764 3.501 5.728 1.00 0.00 C ATOM 483 CG GLU A 31 -2.072 4.013 6.307 1.00 0.00 C ATOM 484 CD GLU A 31 -2.139 3.869 7.815 1.00 0.00 C ATOM 485 OE1 GLU A 31 -1.918 2.745 8.314 1.00 0.00 O ATOM 486 OE2 GLU A 31 -2.412 4.879 8.497 1.00 0.00 O ATOM 0 H GLU A 31 -0.941 4.654 3.535 1.00 0.00 H new ATOM 0 HA GLU A 31 0.173 5.396 6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.980 2.867 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.268 2.875 6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.197 5.062 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.902 3.469 5.857 1.00 0.00 H new ATOM 493 N VAL A 32 1.885 3.423 4.063 1.00 0.00 N ATOM 494 CA VAL A 32 3.209 2.873 3.816 1.00 0.00 C ATOM 495 C VAL A 32 4.247 3.985 3.765 1.00 0.00 C ATOM 496 O VAL A 32 5.351 3.845 4.291 1.00 0.00 O ATOM 497 CB VAL A 32 3.256 2.077 2.498 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.593 1.369 2.348 1.00 0.00 C ATOM 499 CG2 VAL A 32 2.106 1.082 2.434 1.00 0.00 C ATOM 0 H VAL A 32 1.212 3.258 3.315 1.00 0.00 H new ATOM 0 HA VAL A 32 3.435 2.195 4.639 1.00 0.00 H new ATOM 0 HB VAL A 32 3.148 2.776 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.607 0.812 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.396 2.106 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.736 0.681 3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.155 0.529 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.180 0.386 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.158 1.617 2.490 1.00 0.00 H new ATOM 509 N GLY A 33 3.882 5.093 3.129 1.00 0.00 N ATOM 510 CA GLY A 33 4.789 6.218 3.023 1.00 0.00 C ATOM 511 C GLY A 33 5.127 6.818 4.372 1.00 0.00 C ATOM 512 O GLY A 33 6.300 6.996 4.703 1.00 0.00 O ATOM 0 H GLY A 33 2.974 5.231 2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.707 5.896 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.341 6.984 2.390 1.00 0.00 H new ATOM 516 N ASN A 34 4.104 7.118 5.168 1.00 0.00 N ATOM 517 CA ASN A 34 4.333 7.686 6.490 1.00 0.00 C ATOM 518 C ASN A 34 5.047 6.674 7.382 1.00 0.00 C ATOM 519 O ASN A 34 5.853 7.041 8.237 1.00 0.00 O ATOM 520 CB ASN A 34 3.021 8.161 7.129 1.00 0.00 C ATOM 521 CG ASN A 34 2.067 7.032 7.475 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.478 5.954 7.900 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.774 7.282 7.302 1.00 0.00 N ATOM 0 H ASN A 34 3.123 6.979 4.924 1.00 0.00 H new ATOM 0 HA ASN A 34 4.974 8.561 6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.251 8.721 8.035 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.523 8.849 6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.082 6.566 7.524 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.473 8.190 6.947 1.00 0.00 H new ATOM 530 N TYR A 35 4.748 5.397 7.165 1.00 0.00 N ATOM 531 CA TYR A 35 5.359 4.318 7.934 1.00 0.00 C ATOM 532 C TYR A 35 6.870 4.299 7.733 1.00 0.00 C ATOM 533 O TYR A 35 7.632 4.140 8.687 1.00 0.00 O ATOM 534 CB TYR A 35 4.758 2.981 7.498 1.00 0.00 C ATOM 535 CG TYR A 35 5.046 1.845 8.443 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.286 0.563 7.968 1.00 0.00 C ATOM 537 CD2 TYR A 35 5.075 2.054 9.812 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.547 -0.477 8.835 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.336 1.022 10.683 1.00 0.00 C ATOM 540 CZ TYR A 35 5.572 -0.243 10.193 1.00 0.00 C ATOM 541 OH TYR A 35 5.832 -1.278 11.062 1.00 0.00 O ATOM 0 H TYR A 35 4.082 5.083 6.459 1.00 0.00 H new ATOM 0 HA TYR A 35 5.158 4.483 8.992 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.678 3.094 7.400 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.143 2.726 6.511 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.268 0.377 6.904 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.890 3.044 10.202 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.731 -1.470 8.452 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.356 1.203 11.748 1.00 0.00 H new ATOM 0 HH TYR A 35 5.814 -0.944 11.983 1.00 0.00 H new ATOM 551 N LEU A 36 7.294 4.477 6.490 1.00 0.00 N ATOM 552 CA LEU A 36 8.716 4.496 6.162 1.00 0.00 C ATOM 553 C LEU A 36 9.259 5.925 6.169 1.00 0.00 C ATOM 554 O LEU A 36 10.458 6.142 5.988 1.00 0.00 O ATOM 555 CB LEU A 36 8.962 3.846 4.800 1.00 0.00 C ATOM 556 CG LEU A 36 8.526 2.383 4.693 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.442 2.214 3.635 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.720 1.490 4.384 1.00 0.00 C ATOM 0 H LEU A 36 6.675 4.611 5.690 1.00 0.00 H new ATOM 0 HA LEU A 36 9.244 3.923 6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.436 4.423 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.026 3.910 4.570 1.00 0.00 H new ATOM 0 HG LEU A 36 8.110 2.082 5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.149 1.166 3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.575 2.819 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.825 2.537 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.390 0.454 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.167 1.795 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.458 1.581 5.181 1.00 0.00 H new ATOM 570 N ARG A 37 8.372 6.897 6.383 1.00 0.00 N ATOM 571 CA ARG A 37 8.759 8.304 6.420 1.00 0.00 C ATOM 572 C ARG A 37 9.184 8.800 5.043 1.00 0.00 C ATOM 573 O ARG A 37 10.019 9.698 4.929 1.00 0.00 O ATOM 574 CB ARG A 37 9.893 8.523 7.423 1.00 0.00 C ATOM 575 CG ARG A 37 9.816 9.858 8.146 1.00 0.00 C ATOM 576 CD ARG A 37 10.712 9.880 9.376 1.00 0.00 C ATOM 577 NE ARG A 37 11.751 10.904 9.277 1.00 0.00 N ATOM 578 CZ ARG A 37 12.857 10.910 10.018 1.00 0.00 C ATOM 579 NH1 ARG A 37 13.074 9.952 10.909 1.00 0.00 N ATOM 580 NH2 ARG A 37 13.750 11.879 9.864 1.00 0.00 N ATOM 0 H ARG A 37 7.377 6.733 6.534 1.00 0.00 H new ATOM 0 HA ARG A 37 7.887 8.876 6.736 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.876 7.719 8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.847 8.457 6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.110 10.658 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.785 10.053 8.442 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.106 10.063 10.263 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.177 8.902 9.504 1.00 0.00 H new ATOM 0 HE ARG A 37 11.621 11.657 8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.391 9.204 11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.924 9.963 11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.588 12.617 9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.598 11.886 10.431 1.00 0.00 H new ATOM 594 N MET A 38 8.595 8.227 3.999 1.00 0.00 N ATOM 595 CA MET A 38 8.907 8.634 2.637 1.00 0.00 C ATOM 596 C MET A 38 7.808 9.541 2.098 1.00 0.00 C ATOM 597 O MET A 38 6.629 9.186 2.123 1.00 0.00 O ATOM 598 CB MET A 38 9.067 7.409 1.735 1.00 0.00 C ATOM 599 CG MET A 38 10.227 6.510 2.131 1.00 0.00 C ATOM 600 SD MET A 38 11.751 6.917 1.259 1.00 0.00 S ATOM 601 CE MET A 38 11.970 5.449 0.255 1.00 0.00 C ATOM 0 H MET A 38 7.902 7.482 4.071 1.00 0.00 H new ATOM 0 HA MET A 38 9.848 9.183 2.646 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.144 6.829 1.757 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.210 7.741 0.707 1.00 0.00 H new ATOM 0 HG2 MET A 38 10.395 6.592 3.205 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.963 5.472 1.928 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.322 5.735 -0.736 1.00 0.00 H new ATOM 0 HE2 MET A 38 12.703 4.793 0.725 1.00 0.00 H new ATOM 0 HE3 MET A 38 11.019 4.925 0.165 1.00 0.00 H new ATOM 611 N PHE A 39 8.197 10.717 1.620 1.00 0.00 N ATOM 612 CA PHE A 39 7.239 11.678 1.085 1.00 0.00 C ATOM 613 C PHE A 39 7.629 12.118 -0.322 1.00 0.00 C ATOM 614 O PHE A 39 8.686 11.743 -0.829 1.00 0.00 O ATOM 615 CB PHE A 39 7.136 12.890 2.014 1.00 0.00 C ATOM 616 CG PHE A 39 7.169 12.530 3.474 1.00 0.00 C ATOM 617 CD1 PHE A 39 8.372 12.484 4.162 1.00 0.00 C ATOM 618 CD2 PHE A 39 5.999 12.230 4.158 1.00 0.00 C ATOM 619 CE1 PHE A 39 8.407 12.148 5.503 1.00 0.00 C ATOM 620 CE2 PHE A 39 6.030 11.895 5.498 1.00 0.00 C ATOM 621 CZ PHE A 39 7.235 11.853 6.171 1.00 0.00 C ATOM 0 H PHE A 39 9.168 11.028 1.592 1.00 0.00 H new ATOM 0 HA PHE A 39 6.265 11.192 1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.956 13.574 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.210 13.424 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.292 12.713 3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.054 12.259 3.637 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.351 12.116 6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.112 11.666 6.019 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.261 11.590 7.218 1.00 0.00 H new ATOM 631 N ARG A 40 6.769 12.916 -0.949 1.00 0.00 N ATOM 632 CA ARG A 40 7.026 13.408 -2.299 1.00 0.00 C ATOM 633 C ARG A 40 7.242 12.249 -3.268 1.00 0.00 C ATOM 634 O ARG A 40 8.149 12.282 -4.099 1.00 0.00 O ATOM 635 CB ARG A 40 8.249 14.329 -2.304 1.00 0.00 C ATOM 636 CG ARG A 40 7.974 15.710 -1.731 1.00 0.00 C ATOM 637 CD ARG A 40 9.129 16.662 -1.995 1.00 0.00 C ATOM 638 NE ARG A 40 10.030 16.762 -0.849 1.00 0.00 N ATOM 639 CZ ARG A 40 11.034 17.632 -0.769 1.00 0.00 C ATOM 640 NH1 ARG A 40 11.271 18.478 -1.763 1.00 0.00 N ATOM 641 NH2 ARG A 40 11.805 17.656 0.310 1.00 0.00 N ATOM 0 H ARG A 40 5.889 13.235 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 40 6.153 13.973 -2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.049 13.860 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.610 14.435 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.061 16.113 -2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.803 15.632 -0.657 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.688 16.321 -2.867 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.737 17.650 -2.235 1.00 0.00 H new ATOM 0 HE ARG A 40 9.881 16.128 -0.064 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.682 18.464 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.042 19.142 -1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.628 17.008 1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.575 18.322 0.372 1.00 0.00 H new ATOM 655 N GLY A 41 6.406 11.224 -3.150 1.00 0.00 N ATOM 656 CA GLY A 41 6.525 10.068 -4.019 1.00 0.00 C ATOM 657 C GLY A 41 7.867 9.374 -3.880 1.00 0.00 C ATOM 658 O GLY A 41 8.275 8.615 -4.759 1.00 0.00 O ATOM 0 H GLY A 41 5.649 11.173 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.728 9.361 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.386 10.380 -5.054 1.00 0.00 H new ATOM 662 N SER A 42 8.554 9.634 -2.771 1.00 0.00 N ATOM 663 CA SER A 42 9.858 9.032 -2.518 1.00 0.00 C ATOM 664 C SER A 42 9.757 7.510 -2.480 1.00 0.00 C ATOM 665 O SER A 42 10.683 6.807 -2.885 1.00 0.00 O ATOM 666 CB SER A 42 10.434 9.549 -1.199 1.00 0.00 C ATOM 667 OG SER A 42 11.681 8.939 -0.912 1.00 0.00 O ATOM 0 H SER A 42 8.228 10.258 -2.033 1.00 0.00 H new ATOM 0 HA SER A 42 10.525 9.314 -3.333 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.559 10.631 -1.252 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.733 9.348 -0.389 1.00 0.00 H new ATOM 0 HG SER A 42 11.530 8.083 -0.459 1.00 0.00 H new ATOM 673 N LEU A 43 8.628 7.008 -1.989 1.00 0.00 N ATOM 674 CA LEU A 43 8.412 5.569 -1.898 1.00 0.00 C ATOM 675 C LEU A 43 8.363 4.938 -3.284 1.00 0.00 C ATOM 676 O LEU A 43 9.067 3.965 -3.558 1.00 0.00 O ATOM 677 CB LEU A 43 7.110 5.276 -1.148 1.00 0.00 C ATOM 678 CG LEU A 43 6.946 3.828 -0.681 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.306 3.696 0.791 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.524 3.345 -0.929 1.00 0.00 C ATOM 0 H LEU A 43 7.851 7.575 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 43 9.248 5.135 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.053 5.931 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.270 5.531 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 43 7.627 3.202 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.183 2.659 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.342 4.000 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.651 4.334 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.426 2.313 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.825 3.975 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.302 3.400 -1.995 1.00 0.00 H new ATOM 692 N TYR A 44 7.530 5.494 -4.155 1.00 0.00 N ATOM 693 CA TYR A 44 7.392 4.981 -5.512 1.00 0.00 C ATOM 694 C TYR A 44 8.653 5.247 -6.327 1.00 0.00 C ATOM 695 O TYR A 44 9.059 4.421 -7.144 1.00 0.00 O ATOM 696 CB TYR A 44 6.178 5.612 -6.194 1.00 0.00 C ATOM 697 CG TYR A 44 4.878 5.324 -5.480 1.00 0.00 C ATOM 698 CD1 TYR A 44 3.986 6.344 -5.176 1.00 0.00 C ATOM 699 CD2 TYR A 44 4.547 4.028 -5.102 1.00 0.00 C ATOM 700 CE1 TYR A 44 2.800 6.081 -4.517 1.00 0.00 C ATOM 701 CE2 TYR A 44 3.363 3.756 -4.445 1.00 0.00 C ATOM 702 CZ TYR A 44 2.493 4.786 -4.154 1.00 0.00 C ATOM 703 OH TYR A 44 1.313 4.522 -3.498 1.00 0.00 O ATOM 0 H TYR A 44 6.940 6.300 -3.946 1.00 0.00 H new ATOM 0 HA TYR A 44 7.246 3.902 -5.455 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.322 6.691 -6.252 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.112 5.244 -7.218 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.223 7.359 -5.459 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.227 3.220 -5.326 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.117 6.885 -4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.120 2.743 -4.161 1.00 0.00 H new ATOM 0 HH TYR A 44 1.139 5.228 -2.841 1.00 0.00 H new ATOM 713 N LYS A 45 9.274 6.398 -6.095 1.00 0.00 N ATOM 714 CA LYS A 45 10.495 6.759 -6.805 1.00 0.00 C ATOM 715 C LYS A 45 11.624 5.802 -6.437 1.00 0.00 C ATOM 716 O LYS A 45 12.476 5.480 -7.266 1.00 0.00 O ATOM 717 CB LYS A 45 10.898 8.200 -6.480 1.00 0.00 C ATOM 718 CG LYS A 45 10.677 9.167 -7.632 1.00 0.00 C ATOM 719 CD LYS A 45 11.775 9.050 -8.676 1.00 0.00 C ATOM 720 CE LYS A 45 12.999 9.865 -8.292 1.00 0.00 C ATOM 721 NZ LYS A 45 12.800 11.319 -8.543 1.00 0.00 N ATOM 0 H LYS A 45 8.953 7.095 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 45 10.306 6.684 -7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.329 8.542 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.950 8.219 -6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.711 8.968 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.644 10.187 -7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.056 8.003 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.399 9.390 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.224 9.706 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.861 9.514 -8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.694 11.825 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.494 11.463 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.073 11.686 -7.897 1.00 0.00 H new ATOM 735 N ARG A 46 11.618 5.348 -5.189 1.00 0.00 N ATOM 736 CA ARG A 46 12.634 4.422 -4.704 1.00 0.00 C ATOM 737 C ARG A 46 12.186 2.971 -4.879 1.00 0.00 C ATOM 738 O ARG A 46 12.993 2.048 -4.779 1.00 0.00 O ATOM 739 CB ARG A 46 12.941 4.696 -3.230 1.00 0.00 C ATOM 740 CG ARG A 46 14.172 3.965 -2.720 1.00 0.00 C ATOM 741 CD ARG A 46 14.940 4.804 -1.711 1.00 0.00 C ATOM 742 NE ARG A 46 16.236 4.215 -1.382 1.00 0.00 N ATOM 743 CZ ARG A 46 16.941 4.532 -0.298 1.00 0.00 C ATOM 744 NH1 ARG A 46 16.480 5.431 0.562 1.00 0.00 N ATOM 745 NH2 ARG A 46 18.110 3.948 -0.074 1.00 0.00 N ATOM 0 H ARG A 46 10.919 5.607 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 46 13.537 4.576 -5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.081 5.768 -3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.080 4.405 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.873 3.024 -2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.823 3.717 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.089 5.807 -2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.348 4.909 -0.802 1.00 0.00 H new ATOM 0 HE ARG A 46 16.623 3.520 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.581 5.883 0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.024 5.670 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.469 3.256 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.650 4.191 0.756 1.00 0.00 H new ATOM 759 N TYR A 47 10.895 2.777 -5.143 1.00 0.00 N ATOM 760 CA TYR A 47 10.347 1.439 -5.332 1.00 0.00 C ATOM 761 C TYR A 47 9.417 1.390 -6.548 1.00 0.00 C ATOM 762 O TYR A 47 8.235 1.068 -6.421 1.00 0.00 O ATOM 763 CB TYR A 47 9.580 1.004 -4.081 1.00 0.00 C ATOM 764 CG TYR A 47 10.458 0.761 -2.874 1.00 0.00 C ATOM 765 CD1 TYR A 47 11.003 -0.491 -2.635 1.00 0.00 C ATOM 766 CD2 TYR A 47 10.732 1.780 -1.972 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.797 -0.727 -1.532 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.529 1.556 -0.865 1.00 0.00 C ATOM 769 CZ TYR A 47 12.059 0.301 -0.648 1.00 0.00 C ATOM 770 OH TYR A 47 12.849 0.076 0.457 1.00 0.00 O ATOM 0 H TYR A 47 10.212 3.529 -5.230 1.00 0.00 H new ATOM 0 HA TYR A 47 11.179 0.756 -5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.844 1.769 -3.834 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.028 0.091 -4.305 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.802 -1.297 -3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.316 2.763 -2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.211 -1.710 -1.361 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.736 2.359 -0.174 1.00 0.00 H new ATOM 0 HH TYR A 47 12.715 -0.842 0.773 1.00 0.00 H new ATOM 780 N PRO A 48 9.935 1.707 -7.750 1.00 0.00 N ATOM 781 CA PRO A 48 9.133 1.695 -8.980 1.00 0.00 C ATOM 782 C PRO A 48 8.595 0.307 -9.310 1.00 0.00 C ATOM 783 O PRO A 48 7.528 0.171 -9.910 1.00 0.00 O ATOM 784 CB PRO A 48 10.113 2.157 -10.066 1.00 0.00 C ATOM 785 CG PRO A 48 11.224 2.820 -9.327 1.00 0.00 C ATOM 786 CD PRO A 48 11.328 2.102 -8.013 1.00 0.00 C ATOM 0 HA PRO A 48 8.252 2.331 -8.888 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.477 1.314 -10.653 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.635 2.847 -10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.159 2.753 -9.884 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.017 3.880 -9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.989 1.238 -8.075 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.721 2.748 -7.228 1.00 0.00 H new ATOM 794 N SER A 49 9.338 -0.722 -8.916 1.00 0.00 N ATOM 795 CA SER A 49 8.933 -2.099 -9.173 1.00 0.00 C ATOM 796 C SER A 49 7.756 -2.504 -8.288 1.00 0.00 C ATOM 797 O SER A 49 7.095 -3.510 -8.544 1.00 0.00 O ATOM 798 CB SER A 49 10.110 -3.046 -8.939 1.00 0.00 C ATOM 799 OG SER A 49 9.669 -4.386 -8.796 1.00 0.00 O ATOM 0 H SER A 49 10.223 -0.628 -8.418 1.00 0.00 H new ATOM 0 HA SER A 49 8.616 -2.167 -10.214 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.807 -2.977 -9.774 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.653 -2.742 -8.044 1.00 0.00 H new ATOM 0 HG SER A 49 10.442 -4.971 -8.649 1.00 0.00 H new ATOM 805 N LEU A 50 7.502 -1.720 -7.244 1.00 0.00 N ATOM 806 CA LEU A 50 6.408 -2.005 -6.324 1.00 0.00 C ATOM 807 C LEU A 50 5.056 -1.835 -7.008 1.00 0.00 C ATOM 808 O LEU A 50 4.831 -0.864 -7.730 1.00 0.00 O ATOM 809 CB LEU A 50 6.499 -1.086 -5.106 1.00 0.00 C ATOM 810 CG LEU A 50 6.169 -1.743 -3.767 1.00 0.00 C ATOM 811 CD1 LEU A 50 7.252 -2.737 -3.382 1.00 0.00 C ATOM 812 CD2 LEU A 50 6.005 -0.687 -2.687 1.00 0.00 C ATOM 0 H LEU A 50 8.039 -0.884 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 50 6.496 -3.042 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.509 -0.679 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.823 -0.244 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 50 5.228 -2.283 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.001 -3.196 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.325 -3.510 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.207 -2.219 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.770 -1.170 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.932 -0.122 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.195 -0.010 -2.960 1.00 0.00 H new ATOM 824 N TRP A 51 4.159 -2.785 -6.771 1.00 0.00 N ATOM 825 CA TRP A 51 2.825 -2.744 -7.359 1.00 0.00 C ATOM 826 C TRP A 51 1.983 -1.644 -6.719 1.00 0.00 C ATOM 827 O TRP A 51 1.735 -1.664 -5.514 1.00 0.00 O ATOM 828 CB TRP A 51 2.124 -4.093 -7.179 1.00 0.00 C ATOM 829 CG TRP A 51 0.752 -4.134 -7.788 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.407 -4.631 -9.011 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.459 -3.657 -7.196 1.00 0.00 C ATOM 832 NE1 TRP A 51 -0.944 -4.481 -9.218 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.496 -3.887 -8.116 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.764 -3.054 -5.976 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.817 -3.533 -7.852 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -2.070 -2.705 -5.713 1.00 0.00 C ATOM 837 CH2 TRP A 51 -3.084 -2.944 -6.646 1.00 0.00 C ATOM 0 H TRP A 51 4.331 -3.594 -6.175 1.00 0.00 H new ATOM 0 HA TRP A 51 2.932 -2.531 -8.423 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.736 -4.876 -7.627 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.049 -4.317 -6.115 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.095 -5.077 -9.714 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.451 -4.766 -10.056 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.012 -2.864 -5.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.601 -3.716 -8.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.315 -2.239 -4.770 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.098 -2.658 -6.410 1.00 0.00 H new ATOM 848 N ARG A 52 1.541 -0.690 -7.530 1.00 0.00 N ATOM 849 CA ARG A 52 0.718 0.408 -7.037 1.00 0.00 C ATOM 850 C ARG A 52 -0.396 0.734 -8.026 1.00 0.00 C ATOM 851 O ARG A 52 -0.170 0.760 -9.237 1.00 0.00 O ATOM 852 CB ARG A 52 1.577 1.649 -6.790 1.00 0.00 C ATOM 853 CG ARG A 52 2.399 2.071 -7.998 1.00 0.00 C ATOM 854 CD ARG A 52 2.804 3.534 -7.913 1.00 0.00 C ATOM 855 NE ARG A 52 1.915 4.395 -8.688 1.00 0.00 N ATOM 856 CZ ARG A 52 1.951 4.494 -10.016 1.00 0.00 C ATOM 857 NH1 ARG A 52 2.828 3.787 -10.718 1.00 0.00 N ATOM 858 NH2 ARG A 52 1.107 5.302 -10.643 1.00 0.00 N ATOM 0 H ARG A 52 1.738 -0.654 -8.530 1.00 0.00 H new ATOM 0 HA ARG A 52 0.266 0.097 -6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.930 2.475 -6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.249 1.455 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.291 1.449 -8.067 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.822 1.904 -8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.798 3.852 -6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.826 3.649 -8.275 1.00 0.00 H new ATOM 0 HE ARG A 52 1.226 4.953 -8.183 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.479 3.164 -10.241 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.851 3.867 -11.735 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.431 5.847 -10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.134 5.378 -11.660 1.00 0.00 H new ATOM 872 N ARG A 53 -1.595 0.994 -7.512 1.00 0.00 N ATOM 873 CA ARG A 53 -2.726 1.327 -8.373 1.00 0.00 C ATOM 874 C ARG A 53 -3.763 2.173 -7.631 1.00 0.00 C ATOM 875 O ARG A 53 -3.792 2.200 -6.401 1.00 0.00 O ATOM 876 CB ARG A 53 -3.358 0.050 -8.951 1.00 0.00 C ATOM 877 CG ARG A 53 -4.500 -0.531 -8.129 1.00 0.00 C ATOM 878 CD ARG A 53 -5.847 -0.283 -8.786 1.00 0.00 C ATOM 879 NE ARG A 53 -6.693 -1.474 -8.760 1.00 0.00 N ATOM 880 CZ ARG A 53 -8.014 -1.450 -8.919 1.00 0.00 C ATOM 881 NH1 ARG A 53 -8.646 -0.299 -9.114 1.00 0.00 N ATOM 882 NH2 ARG A 53 -8.707 -2.581 -8.884 1.00 0.00 N ATOM 0 H ARG A 53 -1.808 0.981 -6.514 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.353 1.928 -9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.726 0.266 -9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.581 -0.708 -9.053 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.349 -1.603 -8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.494 -0.088 -7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.355 0.535 -8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.695 0.032 -9.818 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.244 -2.378 -8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.119 0.574 -9.143 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.659 -0.287 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.227 -3.469 -8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.720 -2.563 -9.006 1.00 0.00 H new ATOM 896 N LEU A 54 -4.605 2.866 -8.394 1.00 0.00 N ATOM 897 CA LEU A 54 -5.640 3.719 -7.819 1.00 0.00 C ATOM 898 C LEU A 54 -6.970 2.978 -7.719 1.00 0.00 C ATOM 899 O LEU A 54 -7.423 2.362 -8.684 1.00 0.00 O ATOM 900 CB LEU A 54 -5.809 4.980 -8.667 1.00 0.00 C ATOM 901 CG LEU A 54 -4.840 6.114 -8.340 1.00 0.00 C ATOM 902 CD1 LEU A 54 -3.991 6.464 -9.554 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.592 7.339 -7.842 1.00 0.00 C ATOM 0 H LEU A 54 -4.590 2.853 -9.414 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.329 3.999 -6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.690 4.712 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.828 5.347 -8.546 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.176 5.774 -7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.308 7.274 -9.299 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.418 5.589 -9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.639 6.780 -10.372 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.882 8.134 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.284 7.679 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.149 7.082 -6.941 1.00 0.00 H new ATOM 915 N ALA A 55 -7.590 3.043 -6.545 1.00 0.00 N ATOM 916 CA ALA A 55 -8.867 2.376 -6.316 1.00 0.00 C ATOM 917 C ALA A 55 -10.039 3.225 -6.803 1.00 0.00 C ATOM 918 O ALA A 55 -10.014 4.452 -6.712 1.00 0.00 O ATOM 919 CB ALA A 55 -9.033 2.052 -4.838 1.00 0.00 C ATOM 0 H ALA A 55 -7.229 3.551 -5.737 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.866 1.449 -6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.990 1.554 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.225 1.395 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.003 2.974 -4.258 1.00 0.00 H new ATOM 925 N THR A 56 -11.071 2.553 -7.305 1.00 0.00 N ATOM 926 CA THR A 56 -12.266 3.230 -7.794 1.00 0.00 C ATOM 927 C THR A 56 -13.073 3.783 -6.627 1.00 0.00 C ATOM 928 O THR A 56 -12.774 3.497 -5.472 1.00 0.00 O ATOM 929 CB THR A 56 -13.129 2.262 -8.606 1.00 0.00 C ATOM 930 OG1 THR A 56 -13.826 1.376 -7.745 1.00 0.00 O ATOM 931 CG2 THR A 56 -12.333 1.424 -9.583 1.00 0.00 C ATOM 0 H THR A 56 -11.103 1.537 -7.384 1.00 0.00 H new ATOM 0 HA THR A 56 -11.958 4.055 -8.436 1.00 0.00 H new ATOM 0 HB THR A 56 -13.817 2.890 -9.172 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.374 0.764 -8.279 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.006 0.760 -10.125 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.820 2.077 -10.289 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.598 0.830 -9.039 1.00 0.00 H new ATOM 939 N VAL A 57 -14.098 4.572 -6.927 1.00 0.00 N ATOM 940 CA VAL A 57 -14.937 5.145 -5.881 1.00 0.00 C ATOM 941 C VAL A 57 -15.587 4.043 -5.048 1.00 0.00 C ATOM 942 O VAL A 57 -15.729 4.168 -3.830 1.00 0.00 O ATOM 943 CB VAL A 57 -16.035 6.051 -6.467 1.00 0.00 C ATOM 944 CG1 VAL A 57 -16.784 6.773 -5.358 1.00 0.00 C ATOM 945 CG2 VAL A 57 -15.437 7.046 -7.451 1.00 0.00 C ATOM 0 H VAL A 57 -14.367 4.828 -7.877 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.289 5.750 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.747 5.424 -7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.555 7.408 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.247 6.042 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.087 7.388 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.228 7.678 -7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -14.702 7.667 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -14.952 6.506 -8.265 1.00 0.00 H new ATOM 955 N GLU A 58 -15.970 2.958 -5.711 1.00 0.00 N ATOM 956 CA GLU A 58 -16.590 1.829 -5.030 1.00 0.00 C ATOM 957 C GLU A 58 -15.565 1.104 -4.164 1.00 0.00 C ATOM 958 O GLU A 58 -15.798 0.857 -2.979 1.00 0.00 O ATOM 959 CB GLU A 58 -17.196 0.860 -6.047 1.00 0.00 C ATOM 960 CG GLU A 58 -18.414 1.415 -6.767 1.00 0.00 C ATOM 961 CD GLU A 58 -19.466 0.357 -7.034 1.00 0.00 C ATOM 962 OE1 GLU A 58 -19.186 -0.574 -7.818 1.00 0.00 O ATOM 963 OE2 GLU A 58 -20.569 0.458 -6.457 1.00 0.00 O ATOM 0 H GLU A 58 -15.862 2.837 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.386 2.208 -4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -16.437 0.599 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.475 -0.062 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.852 2.215 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.102 1.858 -7.713 1.00 0.00 H new ATOM 970 N GLU A 59 -14.428 0.768 -4.765 1.00 0.00 N ATOM 971 CA GLU A 59 -13.363 0.074 -4.053 1.00 0.00 C ATOM 972 C GLU A 59 -12.864 0.902 -2.873 1.00 0.00 C ATOM 973 O GLU A 59 -12.708 0.389 -1.766 1.00 0.00 O ATOM 974 CB GLU A 59 -12.202 -0.231 -5.003 1.00 0.00 C ATOM 975 CG GLU A 59 -12.500 -1.351 -5.986 1.00 0.00 C ATOM 976 CD GLU A 59 -11.996 -1.048 -7.384 1.00 0.00 C ATOM 977 OE1 GLU A 59 -11.037 -0.258 -7.511 1.00 0.00 O ATOM 978 OE2 GLU A 59 -12.560 -1.601 -8.351 1.00 0.00 O ATOM 0 H GLU A 59 -14.221 0.966 -5.744 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.768 -0.862 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.951 0.672 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.323 -0.498 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.041 -2.274 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.576 -1.523 -6.021 1.00 0.00 H new ATOM 985 N ARG A 60 -12.619 2.186 -3.116 1.00 0.00 N ATOM 986 CA ARG A 60 -12.139 3.084 -2.073 1.00 0.00 C ATOM 987 C ARG A 60 -13.148 3.166 -0.935 1.00 0.00 C ATOM 988 O ARG A 60 -12.774 3.136 0.237 1.00 0.00 O ATOM 989 CB ARG A 60 -11.850 4.475 -2.649 1.00 0.00 C ATOM 990 CG ARG A 60 -13.092 5.297 -2.945 1.00 0.00 C ATOM 991 CD ARG A 60 -12.732 6.646 -3.546 1.00 0.00 C ATOM 992 NE ARG A 60 -12.145 6.511 -4.877 1.00 0.00 N ATOM 993 CZ ARG A 60 -12.096 7.496 -5.771 1.00 0.00 C ATOM 994 NH1 ARG A 60 -12.595 8.692 -5.481 1.00 0.00 N ATOM 995 NH2 ARG A 60 -11.547 7.286 -6.960 1.00 0.00 N ATOM 0 H ARG A 60 -12.745 2.627 -4.027 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.207 2.684 -1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.224 5.024 -1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.275 4.363 -3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.737 4.750 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.660 5.446 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.626 7.267 -3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.029 7.160 -2.890 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.749 5.608 -5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.019 8.860 -4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.554 9.442 -6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.162 6.370 -7.189 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.510 8.041 -7.645 1.00 0.00 H new ATOM 1009 N LYS A 61 -14.431 3.244 -1.280 1.00 0.00 N ATOM 1010 CA LYS A 61 -15.475 3.296 -0.266 1.00 0.00 C ATOM 1011 C LYS A 61 -15.378 2.059 0.619 1.00 0.00 C ATOM 1012 O LYS A 61 -15.486 2.143 1.842 1.00 0.00 O ATOM 1013 CB LYS A 61 -16.858 3.375 -0.921 1.00 0.00 C ATOM 1014 CG LYS A 61 -17.499 4.749 -0.825 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.356 5.052 -2.043 1.00 0.00 C ATOM 1016 CE LYS A 61 -19.817 4.716 -1.793 1.00 0.00 C ATOM 1017 NZ LYS A 61 -20.506 4.273 -3.037 1.00 0.00 N ATOM 0 H LYS A 61 -14.768 3.272 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.338 4.189 0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.770 3.097 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.515 2.643 -0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.112 4.803 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.722 5.508 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.263 6.107 -2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.991 4.481 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.885 3.930 -1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -20.326 5.590 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.500 4.053 -2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.464 5.032 -3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.036 3.424 -3.410 1.00 0.00 H new ATOM 1031 N LYS A 62 -15.144 0.915 -0.018 1.00 0.00 N ATOM 1032 CA LYS A 62 -14.996 -0.344 0.698 1.00 0.00 C ATOM 1033 C LYS A 62 -13.712 -0.332 1.521 1.00 0.00 C ATOM 1034 O LYS A 62 -13.655 -0.896 2.614 1.00 0.00 O ATOM 1035 CB LYS A 62 -14.981 -1.518 -0.282 1.00 0.00 C ATOM 1036 CG LYS A 62 -16.345 -1.825 -0.883 1.00 0.00 C ATOM 1037 CD LYS A 62 -16.262 -2.039 -2.388 1.00 0.00 C ATOM 1038 CE LYS A 62 -16.460 -3.501 -2.759 1.00 0.00 C ATOM 1039 NZ LYS A 62 -17.733 -3.719 -3.499 1.00 0.00 N ATOM 0 H LYS A 62 -15.053 0.836 -1.031 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.846 -0.463 1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.279 -1.300 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.611 -2.405 0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.758 -2.716 -0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -17.030 -1.004 -0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.019 -1.432 -2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.292 -1.699 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.623 -3.837 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.458 -4.109 -1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.830 -4.728 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -18.534 -3.423 -2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.725 -3.159 -4.376 1.00 0.00 H new ATOM 1429 N VAL A 88 -7.413 6.776 -3.458 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.798 5.761 -2.612 1.00 0.00 C ATOM 1431 C VAL A 88 -5.786 4.936 -3.400 1.00 0.00 C ATOM 1432 O VAL A 88 -6.133 4.283 -4.385 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.856 4.815 -2.005 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -7.208 3.808 -1.064 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.930 5.612 -1.279 1.00 0.00 C ATOM 0 HA VAL A 88 -6.289 6.286 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.326 4.263 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.974 3.153 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.480 3.212 -1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.706 4.337 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.667 4.929 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.473 6.192 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.420 6.286 -1.981 1.00 0.00 H new ATOM 1445 N THR A 89 -4.533 4.967 -2.958 1.00 0.00 N ATOM 1446 CA THR A 89 -3.470 4.219 -3.618 1.00 0.00 C ATOM 1447 C THR A 89 -3.265 2.870 -2.940 1.00 0.00 C ATOM 1448 O THR A 89 -2.873 2.804 -1.775 1.00 0.00 O ATOM 1449 CB THR A 89 -2.167 5.018 -3.600 1.00 0.00 C ATOM 1450 OG1 THR A 89 -1.090 4.235 -4.083 1.00 0.00 O ATOM 1451 CG2 THR A 89 -1.789 5.514 -2.221 1.00 0.00 C ATOM 0 H THR A 89 -4.229 5.503 -2.145 1.00 0.00 H new ATOM 0 HA THR A 89 -3.764 4.048 -4.654 1.00 0.00 H new ATOM 0 HB THR A 89 -2.349 5.879 -4.243 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.281 4.440 -3.570 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.855 6.073 -2.279 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.577 6.163 -1.839 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.662 4.664 -1.551 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.538 1.795 -3.671 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.390 0.450 -3.131 1.00 0.00 C ATOM 1461 C LEU A 90 -2.051 -0.163 -3.523 1.00 0.00 C ATOM 1462 O LEU A 90 -1.521 0.107 -4.602 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.526 -0.450 -3.617 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.913 0.193 -3.609 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.144 0.977 -4.893 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -6.987 -0.869 -3.427 1.00 0.00 C ATOM 0 H LEU A 90 -3.862 1.829 -4.637 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.429 0.528 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.300 -0.777 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.553 -1.343 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.970 0.887 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.136 1.428 -4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.391 1.760 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.070 0.305 -5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.969 -0.396 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.932 -1.586 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.830 -1.387 -2.481 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.520 -1.000 -2.638 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.250 -1.673 -2.877 1.00 0.00 C ATOM 1480 C LEU A 91 -0.369 -3.160 -2.550 1.00 0.00 C ATOM 1481 O LEU A 91 -1.246 -3.564 -1.786 1.00 0.00 O ATOM 1482 CB LEU A 91 0.850 -1.035 -2.029 1.00 0.00 C ATOM 1483 CG LEU A 91 1.725 -0.018 -2.764 1.00 0.00 C ATOM 1484 CD1 LEU A 91 0.876 1.117 -3.316 1.00 0.00 C ATOM 1485 CD2 LEU A 91 2.802 0.523 -1.836 1.00 0.00 C ATOM 0 H LEU A 91 -1.953 -1.229 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 91 0.010 -1.566 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.389 -0.543 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.490 -1.825 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 91 2.210 -0.520 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.516 1.831 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.140 0.715 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.363 1.620 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.416 1.245 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.334 1.010 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.429 -0.298 -1.488 1.00 0.00 H new ATOM 1497 N LYS A 92 0.509 -3.973 -3.128 1.00 0.00 N ATOM 1498 CA LYS A 92 0.482 -5.413 -2.886 1.00 0.00 C ATOM 1499 C LYS A 92 0.951 -5.735 -1.470 1.00 0.00 C ATOM 1500 O LYS A 92 2.069 -5.391 -1.081 1.00 0.00 O ATOM 1501 CB LYS A 92 1.363 -6.138 -3.908 1.00 0.00 C ATOM 1502 CG LYS A 92 0.776 -6.159 -5.307 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.486 -6.998 -5.378 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.470 -7.941 -6.568 1.00 0.00 C ATOM 1505 NZ LYS A 92 -0.168 -7.230 -7.840 1.00 0.00 N ATOM 0 H LYS A 92 1.244 -3.663 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.546 -5.757 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.340 -5.656 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.524 -7.163 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.553 -5.140 -5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.514 -6.554 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.591 -7.574 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.355 -6.343 -5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.274 -8.720 -6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.437 -8.437 -6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.922 -7.420 -8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.112 -6.207 -7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.741 -7.566 -8.218 1.00 0.00 H new ATOM 1519 N ALA A 93 0.090 -6.404 -0.706 1.00 0.00 N ATOM 1520 CA ALA A 93 0.416 -6.778 0.667 1.00 0.00 C ATOM 1521 C ALA A 93 1.741 -7.528 0.728 1.00 0.00 C ATOM 1522 O ALA A 93 2.532 -7.342 1.653 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.698 -7.626 1.263 1.00 0.00 C ATOM 0 H ALA A 93 -0.837 -6.697 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 93 0.515 -5.864 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.441 -7.897 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.628 -7.058 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.824 -8.531 0.669 1.00 0.00 H new ATOM 1529 N SER A 94 1.975 -8.375 -0.267 1.00 0.00 N ATOM 1530 CA SER A 94 3.202 -9.154 -0.335 1.00 0.00 C ATOM 1531 C SER A 94 4.413 -8.246 -0.522 1.00 0.00 C ATOM 1532 O SER A 94 5.490 -8.516 0.008 1.00 0.00 O ATOM 1533 CB SER A 94 3.128 -10.165 -1.482 1.00 0.00 C ATOM 1534 OG SER A 94 4.226 -11.059 -1.447 1.00 0.00 O ATOM 0 H SER A 94 1.329 -8.539 -1.039 1.00 0.00 H new ATOM 0 HA SER A 94 3.313 -9.691 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.196 -10.726 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.115 -9.637 -2.436 1.00 0.00 H new ATOM 0 HG SER A 94 4.154 -11.695 -2.189 1.00 0.00 H new ATOM 1540 N GLU A 95 4.229 -7.166 -1.275 1.00 0.00 N ATOM 1541 CA GLU A 95 5.315 -6.225 -1.525 1.00 0.00 C ATOM 1542 C GLU A 95 5.699 -5.500 -0.241 1.00 0.00 C ATOM 1543 O GLU A 95 6.875 -5.440 0.127 1.00 0.00 O ATOM 1544 CB GLU A 95 4.899 -5.214 -2.595 1.00 0.00 C ATOM 1545 CG GLU A 95 5.547 -5.459 -3.948 1.00 0.00 C ATOM 1546 CD GLU A 95 4.631 -6.191 -4.909 1.00 0.00 C ATOM 1547 OE1 GLU A 95 3.931 -5.516 -5.693 1.00 0.00 O ATOM 1548 OE2 GLU A 95 4.615 -7.440 -4.879 1.00 0.00 O ATOM 0 H GLU A 95 3.344 -6.922 -1.720 1.00 0.00 H new ATOM 0 HA GLU A 95 6.181 -6.782 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.815 -5.244 -2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.156 -4.211 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.838 -4.504 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.460 -6.038 -3.810 1.00 0.00 H new ATOM 1555 N VAL A 96 4.697 -4.965 0.444 1.00 0.00 N ATOM 1556 CA VAL A 96 4.926 -4.255 1.692 1.00 0.00 C ATOM 1557 C VAL A 96 5.475 -5.200 2.752 1.00 0.00 C ATOM 1558 O VAL A 96 6.345 -4.833 3.537 1.00 0.00 O ATOM 1559 CB VAL A 96 3.634 -3.603 2.222 1.00 0.00 C ATOM 1560 CG1 VAL A 96 3.950 -2.631 3.348 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.887 -2.901 1.097 1.00 0.00 C ATOM 0 H VAL A 96 3.720 -5.010 0.156 1.00 0.00 H new ATOM 0 HA VAL A 96 5.653 -3.470 1.484 1.00 0.00 H new ATOM 0 HB VAL A 96 2.990 -4.388 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.026 -2.180 3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.437 -3.165 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.614 -1.850 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.978 -2.447 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.522 -2.127 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.626 -3.626 0.326 1.00 0.00 H new ATOM 1571 N GLU A 97 4.960 -6.423 2.761 1.00 0.00 N ATOM 1572 CA GLU A 97 5.395 -7.428 3.721 1.00 0.00 C ATOM 1573 C GLU A 97 6.885 -7.697 3.581 1.00 0.00 C ATOM 1574 O GLU A 97 7.612 -7.751 4.574 1.00 0.00 O ATOM 1575 CB GLU A 97 4.604 -8.725 3.530 1.00 0.00 C ATOM 1576 CG GLU A 97 3.505 -8.924 4.561 1.00 0.00 C ATOM 1577 CD GLU A 97 3.797 -10.068 5.513 1.00 0.00 C ATOM 1578 OE1 GLU A 97 3.966 -9.805 6.722 1.00 0.00 O ATOM 1579 OE2 GLU A 97 3.858 -11.226 5.049 1.00 0.00 O ATOM 0 H GLU A 97 4.240 -6.743 2.113 1.00 0.00 H new ATOM 0 HA GLU A 97 5.207 -7.046 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.161 -8.728 2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.291 -9.570 3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.377 -8.005 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.562 -9.114 4.049 1.00 0.00 H new ATOM 1586 N GLU A 98 7.338 -7.862 2.344 1.00 0.00 N ATOM 1587 CA GLU A 98 8.745 -8.121 2.086 1.00 0.00 C ATOM 1588 C GLU A 98 9.601 -6.948 2.550 1.00 0.00 C ATOM 1589 O GLU A 98 10.594 -7.125 3.261 1.00 0.00 O ATOM 1590 CB GLU A 98 8.967 -8.349 0.594 1.00 0.00 C ATOM 1591 CG GLU A 98 8.092 -9.432 -0.005 1.00 0.00 C ATOM 1592 CD GLU A 98 8.829 -10.742 -0.197 1.00 0.00 C ATOM 1593 OE1 GLU A 98 9.347 -10.975 -1.309 1.00 0.00 O ATOM 1594 OE2 GLU A 98 8.891 -11.535 0.767 1.00 0.00 O ATOM 0 H GLU A 98 6.753 -7.821 1.509 1.00 0.00 H new ATOM 0 HA GLU A 98 9.036 -9.013 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.784 -7.415 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.013 -8.609 0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.231 -9.596 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.708 -9.092 -0.967 1.00 0.00 H new ATOM 1601 N ILE A 99 9.201 -5.739 2.165 1.00 0.00 N ATOM 1602 CA ILE A 99 9.938 -4.547 2.561 1.00 0.00 C ATOM 1603 C ILE A 99 9.932 -4.423 4.076 1.00 0.00 C ATOM 1604 O ILE A 99 10.939 -4.065 4.688 1.00 0.00 O ATOM 1605 CB ILE A 99 9.367 -3.258 1.932 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.048 -3.469 0.449 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.360 -2.116 2.094 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.805 -2.739 -0.010 1.00 0.00 C ATOM 0 H ILE A 99 8.380 -5.562 1.586 1.00 0.00 H new ATOM 0 HA ILE A 99 10.958 -4.661 2.193 1.00 0.00 H new ATOM 0 HB ILE A 99 8.441 -3.005 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.897 -3.136 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.924 -4.535 0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.949 -1.211 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.548 -1.945 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.295 -2.374 1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.639 -2.933 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.945 -3.089 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.933 -1.668 0.147 1.00 0.00 H new ATOM 1620 N LEU A 100 8.792 -4.746 4.678 1.00 0.00 N ATOM 1621 CA LEU A 100 8.657 -4.698 6.128 1.00 0.00 C ATOM 1622 C LEU A 100 9.548 -5.757 6.769 1.00 0.00 C ATOM 1623 O LEU A 100 10.123 -5.539 7.835 1.00 0.00 O ATOM 1624 CB LEU A 100 7.201 -4.921 6.541 1.00 0.00 C ATOM 1625 CG LEU A 100 6.249 -3.749 6.277 1.00 0.00 C ATOM 1626 CD1 LEU A 100 4.978 -3.915 7.092 1.00 0.00 C ATOM 1627 CD2 LEU A 100 6.919 -2.420 6.596 1.00 0.00 C ATOM 0 H LEU A 100 7.950 -5.043 4.185 1.00 0.00 H new ATOM 0 HA LEU A 100 8.968 -3.712 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.823 -5.798 6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.176 -5.153 7.606 1.00 0.00 H new ATOM 0 HG LEU A 100 5.990 -3.748 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.309 -3.077 6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.485 -4.846 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.227 -3.941 8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.222 -1.605 6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.212 -2.403 7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.804 -2.299 5.971 1.00 0.00 H new ATOM 1639 N ASP A 101 9.668 -6.899 6.098 1.00 0.00 N ATOM 1640 CA ASP A 101 10.503 -7.992 6.584 1.00 0.00 C ATOM 1641 C ASP A 101 11.975 -7.698 6.304 1.00 0.00 C ATOM 1642 O ASP A 101 12.867 -8.359 6.836 1.00 0.00 O ATOM 1643 CB ASP A 101 10.096 -9.310 5.924 1.00 0.00 C ATOM 1644 CG ASP A 101 10.658 -10.518 6.647 1.00 0.00 C ATOM 1645 OD1 ASP A 101 10.992 -11.513 5.970 1.00 0.00 O ATOM 1646 OD2 ASP A 101 10.765 -10.470 7.890 1.00 0.00 O ATOM 0 H ASP A 101 9.196 -7.091 5.214 1.00 0.00 H new ATOM 0 HA ASP A 101 10.361 -8.083 7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.009 -9.379 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.440 -9.317 4.890 1.00 0.00 H new ATOM 1651 N GLY A 102 12.213 -6.697 5.460 1.00 0.00 N ATOM 1652 CA GLY A 102 13.566 -6.311 5.106 1.00 0.00 C ATOM 1653 C GLY A 102 13.988 -6.842 3.751 1.00 0.00 C ATOM 1654 O GLY A 102 15.120 -6.626 3.318 1.00 0.00 O ATOM 0 H GLY A 102 11.484 -6.142 5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.641 -5.224 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.255 -6.678 5.867 1.00 0.00 H new ATOM 1658 N ASN A 103 13.063 -7.501 3.061 1.00 0.00 N ATOM 1659 CA ASN A 103 13.333 -8.018 1.729 1.00 0.00 C ATOM 1660 C ASN A 103 12.656 -7.130 0.695 1.00 0.00 C ATOM 1661 O ASN A 103 11.431 -7.092 0.611 1.00 0.00 O ATOM 1662 CB ASN A 103 12.831 -9.458 1.599 1.00 0.00 C ATOM 1663 CG ASN A 103 13.234 -10.094 0.282 1.00 0.00 C ATOM 1664 OD1 ASN A 103 14.417 -10.304 0.018 1.00 0.00 O ATOM 1665 ND2 ASN A 103 12.247 -10.401 -0.552 1.00 0.00 N ATOM 0 H ASN A 103 12.121 -7.688 3.404 1.00 0.00 H new ATOM 0 HA ASN A 103 14.410 -8.016 1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.225 -10.053 2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.745 -9.471 1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.456 -10.829 -1.454 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.280 -10.209 -0.291 1.00 0.00 H new ATOM 1672 N ASP A 104 13.442 -6.403 -0.082 1.00 0.00 N ATOM 1673 CA ASP A 104 12.871 -5.513 -1.087 1.00 0.00 C ATOM 1674 C ASP A 104 13.902 -5.050 -2.112 1.00 0.00 C ATOM 1675 O ASP A 104 13.659 -4.100 -2.853 1.00 0.00 O ATOM 1676 CB ASP A 104 12.244 -4.299 -0.399 1.00 0.00 C ATOM 1677 CG ASP A 104 13.211 -3.603 0.540 1.00 0.00 C ATOM 1678 OD1 ASP A 104 13.890 -4.302 1.320 1.00 0.00 O ATOM 1679 OD2 ASP A 104 13.286 -2.358 0.497 1.00 0.00 O ATOM 0 H ASP A 104 14.461 -6.408 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 104 12.110 -6.077 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.904 -3.592 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.364 -4.616 0.160 1.00 0.00 H new ATOM 1684 N GLU A 105 15.044 -5.725 -2.158 1.00 0.00 N ATOM 1685 CA GLU A 105 16.104 -5.374 -3.099 1.00 0.00 C ATOM 1686 C GLU A 105 15.577 -5.335 -4.528 1.00 0.00 C ATOM 1687 O GLU A 105 15.933 -4.454 -5.310 1.00 0.00 O ATOM 1688 CB GLU A 105 17.259 -6.372 -2.995 1.00 0.00 C ATOM 1689 CG GLU A 105 17.990 -6.321 -1.663 1.00 0.00 C ATOM 1690 CD GLU A 105 17.407 -7.278 -0.642 1.00 0.00 C ATOM 1691 OE1 GLU A 105 16.883 -8.336 -1.051 1.00 0.00 O ATOM 1692 OE2 GLU A 105 17.473 -6.970 0.567 1.00 0.00 O ATOM 0 H GLU A 105 15.261 -6.519 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 105 16.467 -4.379 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.873 -7.379 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.970 -6.177 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.042 -6.560 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.949 -5.306 -1.269 1.00 0.00 H new ATOM 1699 N LYS A 106 14.722 -6.294 -4.859 1.00 0.00 N ATOM 1700 CA LYS A 106 14.138 -6.367 -6.192 1.00 0.00 C ATOM 1701 C LYS A 106 13.229 -5.171 -6.447 1.00 0.00 C ATOM 1702 O LYS A 106 13.079 -4.724 -7.584 1.00 0.00 O ATOM 1703 CB LYS A 106 13.348 -7.668 -6.355 1.00 0.00 C ATOM 1704 CG LYS A 106 12.212 -7.819 -5.356 1.00 0.00 C ATOM 1705 CD LYS A 106 11.265 -8.940 -5.753 1.00 0.00 C ATOM 1706 CE LYS A 106 10.396 -8.539 -6.935 1.00 0.00 C ATOM 1707 NZ LYS A 106 9.113 -9.297 -6.962 1.00 0.00 N ATOM 0 H LYS A 106 14.418 -7.031 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 106 14.948 -6.350 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.941 -7.712 -7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.029 -8.513 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.621 -8.021 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.660 -6.882 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.839 -9.831 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.631 -9.201 -4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.186 -7.471 -6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.941 -8.714 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.549 -8.995 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.313 -10.315 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.581 -9.110 -6.088 1.00 0.00 H new ATOM 1721 N TYR A 107 12.622 -4.658 -5.381 1.00 0.00 N ATOM 1722 CA TYR A 107 11.728 -3.519 -5.485 1.00 0.00 C ATOM 1723 C TYR A 107 12.508 -2.211 -5.587 1.00 0.00 C ATOM 1724 O TYR A 107 12.127 -1.308 -6.333 1.00 0.00 O ATOM 1725 CB TYR A 107 10.805 -3.474 -4.271 1.00 0.00 C ATOM 1726 CG TYR A 107 10.056 -4.760 -4.014 1.00 0.00 C ATOM 1727 CD1 TYR A 107 9.347 -5.390 -5.027 1.00 0.00 C ATOM 1728 CD2 TYR A 107 10.051 -5.338 -2.752 1.00 0.00 C ATOM 1729 CE1 TYR A 107 8.654 -6.561 -4.789 1.00 0.00 C ATOM 1730 CE2 TYR A 107 9.364 -6.508 -2.505 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.665 -7.116 -3.526 1.00 0.00 C ATOM 1732 OH TYR A 107 7.976 -8.283 -3.286 1.00 0.00 O ATOM 0 H TYR A 107 12.736 -5.018 -4.433 1.00 0.00 H new ATOM 0 HA TYR A 107 11.136 -3.635 -6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.396 -3.228 -3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.084 -2.668 -4.407 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.337 -4.958 -6.017 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.595 -4.863 -1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.106 -7.040 -5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.374 -6.945 -1.518 1.00 0.00 H new ATOM 0 HH TYR A 107 8.600 -8.974 -2.981 1.00 0.00 H new ATOM 1742 N LYS A 108 13.599 -2.111 -4.832 1.00 0.00 N ATOM 1743 CA LYS A 108 14.426 -0.902 -4.843 1.00 0.00 C ATOM 1744 C LYS A 108 15.283 -0.832 -6.109 1.00 0.00 C ATOM 1745 O LYS A 108 15.971 0.160 -6.345 1.00 0.00 O ATOM 1746 CB LYS A 108 15.338 -0.826 -3.606 1.00 0.00 C ATOM 1747 CG LYS A 108 14.975 -1.777 -2.478 1.00 0.00 C ATOM 1748 CD LYS A 108 15.674 -1.397 -1.182 1.00 0.00 C ATOM 1749 CE LYS A 108 15.419 0.056 -0.811 1.00 0.00 C ATOM 1750 NZ LYS A 108 15.421 0.265 0.664 1.00 0.00 N ATOM 0 H LYS A 108 13.932 -2.846 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 108 13.742 -0.053 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.363 -1.030 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 108 15.318 0.194 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.896 -1.768 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.250 -2.795 -2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.326 -2.045 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.746 -1.564 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.183 0.686 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.459 0.371 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.949 1.132 0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.442 0.357 1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.873 -0.548 1.129 1.00 0.00 H new ATOM 1764 N ALA A 109 15.248 -1.893 -6.914 1.00 0.00 N ATOM 1765 CA ALA A 109 16.033 -1.945 -8.145 1.00 0.00 C ATOM 1766 C ALA A 109 15.193 -1.595 -9.371 1.00 0.00 C ATOM 1767 O ALA A 109 15.676 -1.673 -10.502 1.00 0.00 O ATOM 1768 CB ALA A 109 16.646 -3.326 -8.310 1.00 0.00 C ATOM 0 H ALA A 109 14.686 -2.725 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 109 16.825 -1.200 -8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.230 -3.357 -9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.295 -3.540 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 109 15.853 -4.073 -8.358 1.00 0.00 H new