USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 Single : A 27 CYS SG : rot -109:sc= -3.17! USER MOD Single : A 28 SER OG : rot 71:sc= 0.262 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 171:sc= -0.825 (180deg=-0.918) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -26:sc= -0.0416 USER MOD Single : A 63 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.413 F(o=-1.4,f=-0.41) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 158:sc= 0.0747 (180deg=0) USER MOD Single : A 77 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.463 K(o=-0.46,f=-1.6) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= 0.969 (180deg=0.82) USER MOD Single : A 91 SER OG : rot -111:sc= 0.174 USER MOD Single : A 92 SER OG : rot 17:sc= 0.00234 USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 16 -0.642 9.746 0.412 1.00 0.00 N ATOM 168 CA GLY A 16 -0.687 8.384 -0.086 1.00 0.00 C ATOM 169 C GLY A 16 0.406 7.515 0.507 1.00 0.00 C ATOM 170 O GLY A 16 1.109 6.810 -0.218 1.00 0.00 O ATOM 0 HA2 GLY A 16 -1.659 7.948 0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.591 8.394 -1.172 1.00 0.00 H new ATOM 174 N PHE A 17 0.551 7.566 1.826 1.00 0.00 N ATOM 175 CA PHE A 17 1.568 6.781 2.515 1.00 0.00 C ATOM 176 C PHE A 17 0.932 5.638 3.301 1.00 0.00 C ATOM 177 O PHE A 17 -0.206 5.744 3.762 1.00 0.00 O ATOM 178 CB PHE A 17 2.381 7.672 3.456 1.00 0.00 C ATOM 179 CG PHE A 17 3.796 7.891 3.000 1.00 0.00 C ATOM 180 CD1 PHE A 17 4.793 6.991 3.339 1.00 0.00 C ATOM 181 CD2 PHE A 17 4.127 8.997 2.235 1.00 0.00 C ATOM 182 CE1 PHE A 17 6.096 7.190 2.921 1.00 0.00 C ATOM 183 CE2 PHE A 17 5.428 9.201 1.813 1.00 0.00 C ATOM 184 CZ PHE A 17 6.414 8.296 2.158 1.00 0.00 C ATOM 0 H PHE A 17 -0.023 8.143 2.440 1.00 0.00 H new ATOM 0 HA PHE A 17 2.234 6.356 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.884 8.638 3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.393 7.223 4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.550 6.125 3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.360 9.708 1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.864 6.481 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.673 10.066 1.215 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.431 8.454 1.831 1.00 0.00 H new ATOM 194 N VAL A 18 1.675 4.546 3.451 1.00 0.00 N ATOM 195 CA VAL A 18 1.184 3.384 4.182 1.00 0.00 C ATOM 196 C VAL A 18 2.309 2.711 4.963 1.00 0.00 C ATOM 197 O VAL A 18 3.465 2.727 4.542 1.00 0.00 O ATOM 198 CB VAL A 18 0.546 2.352 3.234 1.00 0.00 C ATOM 199 CG1 VAL A 18 -0.788 2.863 2.710 1.00 0.00 C ATOM 200 CG2 VAL A 18 1.490 2.027 2.086 1.00 0.00 C ATOM 0 H VAL A 18 2.618 4.442 3.076 1.00 0.00 H new ATOM 0 HA VAL A 18 0.426 3.745 4.877 1.00 0.00 H new ATOM 0 HB VAL A 18 0.363 1.435 3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.225 2.121 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.464 3.040 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.632 3.795 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.022 1.296 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.707 2.936 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.418 1.616 2.483 1.00 0.00 H new ATOM 210 N ARG A 19 1.961 2.121 6.102 1.00 0.00 N ATOM 211 CA ARG A 19 2.941 1.444 6.942 1.00 0.00 C ATOM 212 C ARG A 19 2.710 -0.065 6.938 1.00 0.00 C ATOM 213 O ARG A 19 1.569 -0.530 6.911 1.00 0.00 O ATOM 214 CB ARG A 19 2.872 1.977 8.374 1.00 0.00 C ATOM 215 CG ARG A 19 3.863 1.317 9.319 1.00 0.00 C ATOM 216 CD ARG A 19 3.304 1.211 10.728 1.00 0.00 C ATOM 217 NE ARG A 19 4.302 0.726 11.679 1.00 0.00 N ATOM 218 CZ ARG A 19 4.240 0.950 12.986 1.00 0.00 C ATOM 219 NH1 ARG A 19 3.233 1.645 13.498 1.00 0.00 N ATOM 220 NH2 ARG A 19 5.187 0.475 13.786 1.00 0.00 N ATOM 0 H ARG A 19 1.008 2.098 6.464 1.00 0.00 H new ATOM 0 HA ARG A 19 3.932 1.644 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.055 3.051 8.362 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.863 1.830 8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.112 0.322 8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.789 1.892 9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.943 2.188 11.049 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.446 0.538 10.728 1.00 0.00 H new ATOM 0 HE ARG A 19 5.089 0.186 11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.502 2.010 12.887 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.189 1.815 14.503 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.962 -0.062 13.396 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.140 0.647 14.790 1.00 0.00 H new ATOM 234 N LEU A 20 3.799 -0.824 6.964 1.00 0.00 N ATOM 235 CA LEU A 20 3.716 -2.281 6.964 1.00 0.00 C ATOM 236 C LEU A 20 4.404 -2.867 8.193 1.00 0.00 C ATOM 237 O LEU A 20 5.438 -2.366 8.635 1.00 0.00 O ATOM 238 CB LEU A 20 4.352 -2.847 5.692 1.00 0.00 C ATOM 239 CG LEU A 20 4.221 -1.985 4.436 1.00 0.00 C ATOM 240 CD1 LEU A 20 4.931 -2.641 3.261 1.00 0.00 C ATOM 241 CD2 LEU A 20 2.755 -1.743 4.106 1.00 0.00 C ATOM 0 H LEU A 20 4.750 -0.456 6.985 1.00 0.00 H new ATOM 0 HA LEU A 20 2.663 -2.560 6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.412 -3.016 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.906 -3.820 5.489 1.00 0.00 H new ATOM 0 HG LEU A 20 4.694 -1.022 4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.827 -2.013 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.988 -2.763 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.487 -3.618 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.681 -1.128 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.259 -2.698 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.274 -1.230 4.939 1.00 0.00 H new ATOM 253 N ARG A 21 3.824 -3.931 8.738 1.00 0.00 N ATOM 254 CA ARG A 21 4.381 -4.585 9.915 1.00 0.00 C ATOM 255 C ARG A 21 4.350 -6.103 9.760 1.00 0.00 C ATOM 256 O ARG A 21 3.304 -6.687 9.483 1.00 0.00 O ATOM 257 CB ARG A 21 3.606 -4.174 11.169 1.00 0.00 C ATOM 258 CG ARG A 21 4.451 -3.430 12.190 1.00 0.00 C ATOM 259 CD ARG A 21 3.995 -3.726 13.611 1.00 0.00 C ATOM 260 NE ARG A 21 5.041 -4.373 14.398 1.00 0.00 N ATOM 261 CZ ARG A 21 6.174 -3.774 14.748 1.00 0.00 C ATOM 262 NH1 ARG A 21 6.406 -2.521 14.383 1.00 0.00 N ATOM 263 NH2 ARG A 21 7.077 -4.429 15.465 1.00 0.00 N ATOM 0 H ARG A 21 2.969 -4.358 8.383 1.00 0.00 H new ATOM 0 HA ARG A 21 5.419 -4.268 10.018 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.766 -3.544 10.877 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.188 -5.066 11.636 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.497 -3.715 12.075 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.390 -2.358 12.003 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.698 -2.797 14.097 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.114 -4.367 13.583 1.00 0.00 H new ATOM 0 HE ARG A 21 4.894 -5.338 14.695 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.714 -2.014 13.832 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.277 -2.064 14.653 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.902 -5.393 15.748 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.947 -3.969 15.733 1.00 0.00 H new ATOM 277 N GLY A 22 5.507 -6.735 9.939 1.00 0.00 N ATOM 278 CA GLY A 22 5.589 -8.179 9.814 1.00 0.00 C ATOM 279 C GLY A 22 6.105 -8.614 8.456 1.00 0.00 C ATOM 280 O GLY A 22 5.589 -9.563 7.864 1.00 0.00 O ATOM 0 H GLY A 22 6.387 -6.273 10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.245 -8.571 10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.603 -8.612 9.980 1.00 0.00 H new ATOM 284 N LEU A 23 7.122 -7.920 7.961 1.00 0.00 N ATOM 285 CA LEU A 23 7.706 -8.238 6.663 1.00 0.00 C ATOM 286 C LEU A 23 8.599 -9.471 6.756 1.00 0.00 C ATOM 287 O LEU A 23 9.220 -9.743 7.784 1.00 0.00 O ATOM 288 CB LEU A 23 8.512 -7.049 6.138 1.00 0.00 C ATOM 289 CG LEU A 23 7.732 -5.752 5.922 1.00 0.00 C ATOM 290 CD1 LEU A 23 8.685 -4.584 5.717 1.00 0.00 C ATOM 291 CD2 LEU A 23 6.788 -5.888 4.737 1.00 0.00 C ATOM 0 H LEU A 23 7.560 -7.133 8.439 1.00 0.00 H new ATOM 0 HA LEU A 23 6.893 -8.452 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.324 -6.849 6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.970 -7.336 5.191 1.00 0.00 H new ATOM 0 HG LEU A 23 7.136 -5.556 6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.112 -3.669 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.319 -4.473 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.308 -4.772 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.241 -4.955 4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.363 -6.109 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.083 -6.698 4.925 1.00 0.00 H new ATOM 303 N PRO A 24 8.668 -10.237 5.656 1.00 0.00 N ATOM 304 CA PRO A 24 9.484 -11.453 5.588 1.00 0.00 C ATOM 305 C PRO A 24 10.979 -11.148 5.588 1.00 0.00 C ATOM 306 O PRO A 24 11.387 -9.994 5.456 1.00 0.00 O ATOM 307 CB PRO A 24 9.068 -12.085 4.257 1.00 0.00 C ATOM 308 CG PRO A 24 8.581 -10.944 3.432 1.00 0.00 C ATOM 309 CD PRO A 24 7.955 -9.974 4.395 1.00 0.00 C ATOM 0 HA PRO A 24 9.325 -12.100 6.451 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.908 -12.589 3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.287 -12.832 4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.402 -10.478 2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.856 -11.280 2.690 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.085 -8.942 4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.883 -10.144 4.497 1.00 0.00 H new ATOM 317 N PHE A 25 11.790 -12.189 5.739 1.00 0.00 N ATOM 318 CA PHE A 25 13.240 -12.033 5.757 1.00 0.00 C ATOM 319 C PHE A 25 13.755 -11.575 4.396 1.00 0.00 C ATOM 320 O PHE A 25 13.418 -12.155 3.365 1.00 0.00 O ATOM 321 CB PHE A 25 13.911 -13.350 6.153 1.00 0.00 C ATOM 322 CG PHE A 25 13.962 -13.575 7.637 1.00 0.00 C ATOM 323 CD1 PHE A 25 14.746 -12.769 8.447 1.00 0.00 C ATOM 324 CD2 PHE A 25 13.226 -14.592 8.222 1.00 0.00 C ATOM 325 CE1 PHE A 25 14.796 -12.973 9.813 1.00 0.00 C ATOM 326 CE2 PHE A 25 13.270 -14.801 9.587 1.00 0.00 C ATOM 327 CZ PHE A 25 14.057 -13.992 10.384 1.00 0.00 C ATOM 0 H PHE A 25 11.468 -13.150 5.851 1.00 0.00 H new ATOM 0 HA PHE A 25 13.489 -11.270 6.495 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.374 -14.176 5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 25 14.926 -13.365 5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.325 -11.972 8.005 1.00 0.00 H new ATOM 0 HD2 PHE A 25 12.611 -15.229 7.604 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.411 -12.338 10.433 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.690 -15.596 10.031 1.00 0.00 H new ATOM 0 HZ PHE A 25 14.095 -14.155 11.451 1.00 0.00 H new ATOM 337 N GLY A 26 14.574 -10.527 4.402 1.00 0.00 N ATOM 338 CA GLY A 26 15.122 -10.008 3.162 1.00 0.00 C ATOM 339 C GLY A 26 14.104 -9.217 2.365 1.00 0.00 C ATOM 340 O GLY A 26 14.358 -8.843 1.220 1.00 0.00 O ATOM 0 H GLY A 26 14.867 -10.029 5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.978 -9.372 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.490 -10.836 2.556 1.00 0.00 H new ATOM 344 N CYS A 27 12.949 -8.963 2.969 1.00 0.00 N ATOM 345 CA CYS A 27 11.888 -8.214 2.307 1.00 0.00 C ATOM 346 C CYS A 27 12.423 -6.907 1.731 1.00 0.00 C ATOM 347 O CYS A 27 13.066 -6.126 2.431 1.00 0.00 O ATOM 348 CB CYS A 27 10.750 -7.924 3.287 1.00 0.00 C ATOM 349 SG CYS A 27 9.333 -7.080 2.547 1.00 0.00 S ATOM 0 H CYS A 27 12.723 -9.265 3.917 1.00 0.00 H new ATOM 0 HA CYS A 27 11.506 -8.823 1.488 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.412 -8.864 3.723 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.136 -7.315 4.104 1.00 0.00 H new ATOM 0 HG CYS A 27 9.285 -5.854 2.977 1.00 0.00 H new ATOM 355 N SER A 28 12.154 -6.678 0.449 1.00 0.00 N ATOM 356 CA SER A 28 12.614 -5.469 -0.224 1.00 0.00 C ATOM 357 C SER A 28 11.600 -5.009 -1.267 1.00 0.00 C ATOM 358 O SER A 28 10.625 -5.705 -1.553 1.00 0.00 O ATOM 359 CB SER A 28 13.970 -5.711 -0.886 1.00 0.00 C ATOM 360 OG SER A 28 14.961 -6.022 0.079 1.00 0.00 O ATOM 0 H SER A 28 11.620 -7.314 -0.144 1.00 0.00 H new ATOM 0 HA SER A 28 12.720 -4.685 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.887 -6.528 -1.603 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.268 -4.824 -1.445 1.00 0.00 H new ATOM 0 HG SER A 28 14.795 -6.917 0.441 1.00 0.00 H new ATOM 366 N LYS A 29 11.837 -3.831 -1.835 1.00 0.00 N ATOM 367 CA LYS A 29 10.948 -3.276 -2.849 1.00 0.00 C ATOM 368 C LYS A 29 10.622 -4.318 -3.914 1.00 0.00 C ATOM 369 O LYS A 29 9.480 -4.425 -4.361 1.00 0.00 O ATOM 370 CB LYS A 29 11.585 -2.047 -3.499 1.00 0.00 C ATOM 371 CG LYS A 29 11.540 -0.804 -2.627 1.00 0.00 C ATOM 372 CD LYS A 29 12.818 -0.642 -1.820 1.00 0.00 C ATOM 373 CE LYS A 29 13.421 0.741 -2.005 1.00 0.00 C ATOM 374 NZ LYS A 29 14.004 0.915 -3.364 1.00 0.00 N ATOM 0 H LYS A 29 12.638 -3.242 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 29 10.020 -2.979 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.623 -2.272 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.075 -1.839 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.390 0.076 -3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.687 -0.863 -1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.607 -0.810 -0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.541 -1.399 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.653 1.497 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.195 0.903 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.405 1.871 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.754 0.210 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.261 0.786 -4.080 1.00 0.00 H new ATOM 388 N GLU A 30 11.631 -5.083 -4.317 1.00 0.00 N ATOM 389 CA GLU A 30 11.451 -6.115 -5.330 1.00 0.00 C ATOM 390 C GLU A 30 10.231 -6.977 -5.016 1.00 0.00 C ATOM 391 O GLU A 30 9.423 -7.270 -5.898 1.00 0.00 O ATOM 392 CB GLU A 30 12.699 -6.995 -5.423 1.00 0.00 C ATOM 393 CG GLU A 30 13.968 -6.219 -5.736 1.00 0.00 C ATOM 394 CD GLU A 30 15.208 -7.090 -5.700 1.00 0.00 C ATOM 395 OE1 GLU A 30 15.654 -7.440 -4.587 1.00 0.00 O ATOM 396 OE2 GLU A 30 15.733 -7.422 -6.783 1.00 0.00 O ATOM 0 H GLU A 30 12.582 -5.007 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 30 11.291 -5.622 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.831 -7.525 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.545 -7.750 -6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.877 -5.764 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.079 -5.406 -5.018 1.00 0.00 H new ATOM 403 N GLU A 31 10.106 -7.380 -3.756 1.00 0.00 N ATOM 404 CA GLU A 31 8.985 -8.209 -3.327 1.00 0.00 C ATOM 405 C GLU A 31 7.740 -7.360 -3.089 1.00 0.00 C ATOM 406 O GLU A 31 6.614 -7.831 -3.253 1.00 0.00 O ATOM 407 CB GLU A 31 9.348 -8.973 -2.051 1.00 0.00 C ATOM 408 CG GLU A 31 10.111 -10.260 -2.309 1.00 0.00 C ATOM 409 CD GLU A 31 9.197 -11.424 -2.642 1.00 0.00 C ATOM 410 OE1 GLU A 31 8.278 -11.240 -3.466 1.00 0.00 O ATOM 411 OE2 GLU A 31 9.403 -12.520 -2.076 1.00 0.00 O ATOM 0 H GLU A 31 10.766 -7.146 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 31 8.769 -8.924 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.948 -8.327 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.434 -9.206 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.810 -10.105 -3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.704 -10.509 -1.429 1.00 0.00 H new ATOM 418 N ILE A 32 7.951 -6.106 -2.700 1.00 0.00 N ATOM 419 CA ILE A 32 6.846 -5.192 -2.440 1.00 0.00 C ATOM 420 C ILE A 32 6.174 -4.759 -3.738 1.00 0.00 C ATOM 421 O ILE A 32 5.022 -5.107 -4.000 1.00 0.00 O ATOM 422 CB ILE A 32 7.319 -3.940 -1.678 1.00 0.00 C ATOM 423 CG1 ILE A 32 7.951 -4.339 -0.342 1.00 0.00 C ATOM 424 CG2 ILE A 32 6.157 -2.984 -1.457 1.00 0.00 C ATOM 425 CD1 ILE A 32 8.577 -3.178 0.400 1.00 0.00 C ATOM 0 H ILE A 32 8.876 -5.701 -2.558 1.00 0.00 H new ATOM 0 HA ILE A 32 6.127 -5.733 -1.824 1.00 0.00 H new ATOM 0 HB ILE A 32 8.073 -3.430 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.189 -4.795 0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.712 -5.098 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.507 -2.104 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.748 -2.680 -2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.382 -3.482 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.005 -3.534 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.362 -2.735 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.815 -2.428 0.611 1.00 0.00 H new ATOM 437 N VAL A 33 6.901 -3.998 -4.550 1.00 0.00 N ATOM 438 CA VAL A 33 6.376 -3.520 -5.823 1.00 0.00 C ATOM 439 C VAL A 33 5.447 -4.548 -6.456 1.00 0.00 C ATOM 440 O VAL A 33 4.373 -4.207 -6.952 1.00 0.00 O ATOM 441 CB VAL A 33 7.512 -3.194 -6.811 1.00 0.00 C ATOM 442 CG1 VAL A 33 6.951 -2.925 -8.199 1.00 0.00 C ATOM 443 CG2 VAL A 33 8.323 -2.006 -6.316 1.00 0.00 C ATOM 0 H VAL A 33 7.855 -3.699 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 33 5.815 -2.610 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 33 8.175 -4.057 -6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.768 -2.696 -8.884 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.417 -3.807 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.266 -2.079 -8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.121 -1.789 -7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.674 -1.135 -6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.756 -2.241 -5.344 1.00 0.00 H new ATOM 453 N GLN A 34 5.866 -5.809 -6.435 1.00 0.00 N ATOM 454 CA GLN A 34 5.070 -6.889 -7.007 1.00 0.00 C ATOM 455 C GLN A 34 3.879 -7.220 -6.114 1.00 0.00 C ATOM 456 O GLN A 34 2.754 -7.366 -6.591 1.00 0.00 O ATOM 457 CB GLN A 34 5.933 -8.135 -7.210 1.00 0.00 C ATOM 458 CG GLN A 34 6.435 -8.302 -8.636 1.00 0.00 C ATOM 459 CD GLN A 34 5.774 -9.462 -9.355 1.00 0.00 C ATOM 460 OE1 GLN A 34 6.239 -10.599 -9.280 1.00 0.00 O ATOM 461 NE2 GLN A 34 4.682 -9.178 -10.056 1.00 0.00 N ATOM 0 H GLN A 34 6.752 -6.108 -6.028 1.00 0.00 H new ATOM 0 HA GLN A 34 4.693 -6.556 -7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.788 -8.088 -6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.355 -9.016 -6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.251 -7.383 -9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.514 -8.456 -8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.332 -8.220 -10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.193 -9.918 -10.560 1.00 0.00 H new ATOM 470 N PHE A 35 4.136 -7.337 -4.815 1.00 0.00 N ATOM 471 CA PHE A 35 3.084 -7.653 -3.854 1.00 0.00 C ATOM 472 C PHE A 35 1.892 -6.716 -4.025 1.00 0.00 C ATOM 473 O PHE A 35 0.757 -7.074 -3.714 1.00 0.00 O ATOM 474 CB PHE A 35 3.624 -7.554 -2.426 1.00 0.00 C ATOM 475 CG PHE A 35 2.547 -7.471 -1.383 1.00 0.00 C ATOM 476 CD1 PHE A 35 1.730 -8.560 -1.121 1.00 0.00 C ATOM 477 CD2 PHE A 35 2.350 -6.303 -0.663 1.00 0.00 C ATOM 478 CE1 PHE A 35 0.738 -8.485 -0.162 1.00 0.00 C ATOM 479 CE2 PHE A 35 1.359 -6.223 0.297 1.00 0.00 C ATOM 480 CZ PHE A 35 0.553 -7.316 0.549 1.00 0.00 C ATOM 0 H PHE A 35 5.062 -7.218 -4.404 1.00 0.00 H new ATOM 0 HA PHE A 35 2.750 -8.674 -4.040 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.250 -8.422 -2.222 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.263 -6.675 -2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.871 -9.478 -1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.978 -5.446 -0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.108 -9.340 0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.215 -5.306 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.220 -7.256 1.301 1.00 0.00 H new ATOM 490 N PHE A 36 2.159 -5.513 -4.522 1.00 0.00 N ATOM 491 CA PHE A 36 1.110 -4.522 -4.734 1.00 0.00 C ATOM 492 C PHE A 36 0.744 -4.425 -6.212 1.00 0.00 C ATOM 493 O PHE A 36 0.462 -3.341 -6.722 1.00 0.00 O ATOM 494 CB PHE A 36 1.559 -3.153 -4.217 1.00 0.00 C ATOM 495 CG PHE A 36 1.496 -3.027 -2.722 1.00 0.00 C ATOM 496 CD1 PHE A 36 0.323 -3.306 -2.039 1.00 0.00 C ATOM 497 CD2 PHE A 36 2.610 -2.630 -1.999 1.00 0.00 C ATOM 498 CE1 PHE A 36 0.262 -3.190 -0.662 1.00 0.00 C ATOM 499 CE2 PHE A 36 2.554 -2.513 -0.623 1.00 0.00 C ATOM 500 CZ PHE A 36 1.379 -2.794 0.046 1.00 0.00 C ATOM 0 H PHE A 36 3.093 -5.200 -4.786 1.00 0.00 H new ATOM 0 HA PHE A 36 0.227 -4.840 -4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.581 -2.966 -4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.934 -2.381 -4.665 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.553 -3.617 -2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.532 -2.410 -2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.658 -3.409 -0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.429 -2.202 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.334 -2.704 1.121 1.00 0.00 H new ATOM 510 N SER A 37 0.751 -5.565 -6.893 1.00 0.00 N ATOM 511 CA SER A 37 0.424 -5.610 -8.314 1.00 0.00 C ATOM 512 C SER A 37 -0.894 -4.892 -8.590 1.00 0.00 C ATOM 513 O SER A 37 -1.833 -4.968 -7.800 1.00 0.00 O ATOM 514 CB SER A 37 0.338 -7.060 -8.794 1.00 0.00 C ATOM 515 OG SER A 37 -0.831 -7.693 -8.300 1.00 0.00 O ATOM 0 H SER A 37 0.980 -6.471 -6.484 1.00 0.00 H new ATOM 0 HA SER A 37 1.218 -5.101 -8.861 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.337 -7.086 -9.884 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.220 -7.609 -8.463 1.00 0.00 H new ATOM 0 HG SER A 37 -0.863 -8.618 -8.622 1.00 0.00 H new ATOM 521 N GLY A 38 -0.954 -4.194 -9.721 1.00 0.00 N ATOM 522 CA GLY A 38 -2.159 -3.471 -10.083 1.00 0.00 C ATOM 523 C GLY A 38 -2.143 -2.036 -9.596 1.00 0.00 C ATOM 524 O GLY A 38 -2.782 -1.164 -10.188 1.00 0.00 O ATOM 0 H GLY A 38 -0.190 -4.117 -10.392 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.274 -3.482 -11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.026 -3.983 -9.665 1.00 0.00 H new ATOM 528 N LEU A 39 -1.414 -1.787 -8.514 1.00 0.00 N ATOM 529 CA LEU A 39 -1.318 -0.446 -7.948 1.00 0.00 C ATOM 530 C LEU A 39 -0.095 0.288 -8.488 1.00 0.00 C ATOM 531 O LEU A 39 0.898 -0.334 -8.863 1.00 0.00 O ATOM 532 CB LEU A 39 -1.248 -0.521 -6.420 1.00 0.00 C ATOM 533 CG LEU A 39 -2.350 -1.331 -5.737 1.00 0.00 C ATOM 534 CD1 LEU A 39 -1.841 -1.936 -4.438 1.00 0.00 C ATOM 535 CD2 LEU A 39 -3.570 -0.458 -5.479 1.00 0.00 C ATOM 0 H LEU A 39 -0.881 -2.496 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.209 0.109 -8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.285 -0.948 -6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.273 0.495 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.643 -2.144 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.639 -2.509 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.998 -2.594 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.520 -1.139 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.345 -1.050 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.291 0.375 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.949 -0.073 -6.426 1.00 0.00 H new ATOM 547 N GLU A 40 -0.176 1.615 -8.524 1.00 0.00 N ATOM 548 CA GLU A 40 0.925 2.433 -9.019 1.00 0.00 C ATOM 549 C GLU A 40 1.582 3.207 -7.879 1.00 0.00 C ATOM 550 O GLU A 40 0.935 4.009 -7.206 1.00 0.00 O ATOM 551 CB GLU A 40 0.427 3.405 -10.089 1.00 0.00 C ATOM 552 CG GLU A 40 1.315 4.625 -10.265 1.00 0.00 C ATOM 553 CD GLU A 40 0.812 5.562 -11.345 1.00 0.00 C ATOM 554 OE1 GLU A 40 -0.379 5.932 -11.304 1.00 0.00 O ATOM 555 OE2 GLU A 40 1.612 5.926 -12.234 1.00 0.00 O ATOM 0 H GLU A 40 -0.991 2.145 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 40 1.668 1.769 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.355 2.878 -11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.579 3.733 -9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.375 5.165 -9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.326 4.301 -10.512 1.00 0.00 H new ATOM 562 N ILE A 41 2.870 2.959 -7.669 1.00 0.00 N ATOM 563 CA ILE A 41 3.614 3.632 -6.612 1.00 0.00 C ATOM 564 C ILE A 41 4.669 4.569 -7.193 1.00 0.00 C ATOM 565 O ILE A 41 5.165 4.353 -8.298 1.00 0.00 O ATOM 566 CB ILE A 41 4.303 2.620 -5.676 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.327 1.510 -5.282 1.00 0.00 C ATOM 568 CG2 ILE A 41 4.840 3.324 -4.438 1.00 0.00 C ATOM 569 CD1 ILE A 41 3.990 0.167 -5.076 1.00 0.00 C ATOM 0 H ILE A 41 3.420 2.297 -8.217 1.00 0.00 H new ATOM 0 HA ILE A 41 2.892 4.212 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 41 5.142 2.169 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.814 1.797 -4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.566 1.415 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.324 2.596 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.564 4.082 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.017 3.799 -3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.238 -0.571 -4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.479 -0.143 -5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.732 0.245 -4.281 1.00 0.00 H new ATOM 581 N VAL A 42 5.006 5.611 -6.439 1.00 0.00 N ATOM 582 CA VAL A 42 6.003 6.579 -6.877 1.00 0.00 C ATOM 583 C VAL A 42 7.411 6.003 -6.777 1.00 0.00 C ATOM 584 O VAL A 42 7.703 5.155 -5.935 1.00 0.00 O ATOM 585 CB VAL A 42 5.931 7.874 -6.046 1.00 0.00 C ATOM 586 CG1 VAL A 42 4.658 8.644 -6.365 1.00 0.00 C ATOM 587 CG2 VAL A 42 6.014 7.558 -4.560 1.00 0.00 C ATOM 0 H VAL A 42 4.603 5.806 -5.522 1.00 0.00 H new ATOM 0 HA VAL A 42 5.782 6.811 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 42 6.782 8.502 -6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.625 9.556 -5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.645 8.903 -7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.791 8.026 -6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.962 8.484 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.184 6.910 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.956 7.053 -4.348 1.00 0.00 H new ATOM 597 N PRO A 43 8.307 6.473 -7.658 1.00 0.00 N ATOM 598 CA PRO A 43 9.700 6.019 -7.690 1.00 0.00 C ATOM 599 C PRO A 43 10.493 6.497 -6.479 1.00 0.00 C ATOM 600 O PRO A 43 10.592 7.697 -6.224 1.00 0.00 O ATOM 601 CB PRO A 43 10.250 6.649 -8.971 1.00 0.00 C ATOM 602 CG PRO A 43 9.395 7.848 -9.202 1.00 0.00 C ATOM 603 CD PRO A 43 8.028 7.486 -8.691 1.00 0.00 C ATOM 0 HA PRO A 43 9.774 4.932 -7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.298 6.926 -8.857 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.193 5.955 -9.809 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.791 8.717 -8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.361 8.105 -10.261 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.512 8.352 -8.276 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.395 7.088 -9.484 1.00 0.00 H new ATOM 611 N ASN A 44 11.058 5.551 -5.735 1.00 0.00 N ATOM 612 CA ASN A 44 11.843 5.878 -4.551 1.00 0.00 C ATOM 613 C ASN A 44 10.940 6.327 -3.406 1.00 0.00 C ATOM 614 O ASN A 44 11.360 7.080 -2.529 1.00 0.00 O ATOM 615 CB ASN A 44 12.860 6.974 -4.873 1.00 0.00 C ATOM 616 CG ASN A 44 14.289 6.529 -4.624 1.00 0.00 C ATOM 617 OD1 ASN A 44 14.808 5.654 -5.317 1.00 0.00 O ATOM 618 ND2 ASN A 44 14.931 7.131 -3.630 1.00 0.00 N ATOM 0 H ASN A 44 10.987 4.553 -5.931 1.00 0.00 H new ATOM 0 HA ASN A 44 12.375 4.979 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.752 7.271 -5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.646 7.854 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.894 6.873 -3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.461 7.851 -3.082 1.00 0.00 H new ATOM 625 N GLY A 45 9.695 5.859 -3.423 1.00 0.00 N ATOM 626 CA GLY A 45 8.752 6.222 -2.381 1.00 0.00 C ATOM 627 C GLY A 45 8.536 5.106 -1.378 1.00 0.00 C ATOM 628 O GLY A 45 7.437 4.941 -0.851 1.00 0.00 O ATOM 0 H GLY A 45 9.323 5.235 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.114 7.109 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.797 6.487 -2.836 1.00 0.00 H new ATOM 632 N MET A 46 9.588 4.337 -1.116 1.00 0.00 N ATOM 633 CA MET A 46 9.508 3.230 -0.170 1.00 0.00 C ATOM 634 C MET A 46 10.664 3.280 0.824 1.00 0.00 C ATOM 635 O MET A 46 11.823 3.432 0.437 1.00 0.00 O ATOM 636 CB MET A 46 9.517 1.894 -0.915 1.00 0.00 C ATOM 637 CG MET A 46 8.373 1.742 -1.905 1.00 0.00 C ATOM 638 SD MET A 46 8.887 2.036 -3.608 1.00 0.00 S ATOM 639 CE MET A 46 7.955 0.771 -4.466 1.00 0.00 C ATOM 0 H MET A 46 10.505 4.460 -1.545 1.00 0.00 H new ATOM 0 HA MET A 46 8.573 3.323 0.383 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.463 1.790 -1.447 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.469 1.082 -0.189 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.957 0.738 -1.823 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.577 2.439 -1.644 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.040 0.923 -5.542 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.350 -0.211 -4.206 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.907 0.830 -4.173 1.00 0.00 H new ATOM 649 N THR A 47 10.342 3.153 2.108 1.00 0.00 N ATOM 650 CA THR A 47 11.352 3.184 3.157 1.00 0.00 C ATOM 651 C THR A 47 11.384 1.871 3.930 1.00 0.00 C ATOM 652 O THR A 47 10.344 1.366 4.360 1.00 0.00 O ATOM 653 CB THR A 47 11.103 4.341 4.142 1.00 0.00 C ATOM 654 OG1 THR A 47 11.233 5.598 3.466 1.00 0.00 O ATOM 655 CG2 THR A 47 12.081 4.282 5.306 1.00 0.00 C ATOM 0 H THR A 47 9.388 3.028 2.446 1.00 0.00 H new ATOM 0 HA THR A 47 12.313 3.335 2.665 1.00 0.00 H new ATOM 0 HB THR A 47 10.091 4.243 4.534 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.071 6.328 4.099 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.885 5.109 5.988 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.959 3.338 5.837 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.101 4.357 4.929 1.00 0.00 H new ATOM 663 N LEU A 48 12.580 1.321 4.105 1.00 0.00 N ATOM 664 CA LEU A 48 12.746 0.065 4.828 1.00 0.00 C ATOM 665 C LEU A 48 13.878 0.169 5.846 1.00 0.00 C ATOM 666 O LEU A 48 15.050 -0.044 5.534 1.00 0.00 O ATOM 667 CB LEU A 48 13.029 -1.076 3.850 1.00 0.00 C ATOM 668 CG LEU A 48 11.824 -1.923 3.442 1.00 0.00 C ATOM 669 CD1 LEU A 48 11.629 -1.885 1.935 1.00 0.00 C ATOM 670 CD2 LEU A 48 11.994 -3.358 3.923 1.00 0.00 C ATOM 0 H LEU A 48 13.449 1.725 3.756 1.00 0.00 H new ATOM 0 HA LEU A 48 11.819 -0.144 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.473 -0.654 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.776 -1.733 4.296 1.00 0.00 H new ATOM 0 HG LEU A 48 10.935 -1.505 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.766 -2.494 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.462 -0.856 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.519 -2.277 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.127 -3.947 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.894 -3.786 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.083 -3.369 5.009 1.00 0.00 H new ATOM 682 N PRO A 49 13.522 0.505 7.095 1.00 0.00 N ATOM 683 CA PRO A 49 14.493 0.641 8.185 1.00 0.00 C ATOM 684 C PRO A 49 15.082 -0.699 8.608 1.00 0.00 C ATOM 685 O PRO A 49 14.669 -1.752 8.121 1.00 0.00 O ATOM 686 CB PRO A 49 13.665 1.245 9.323 1.00 0.00 C ATOM 687 CG PRO A 49 12.265 0.824 9.038 1.00 0.00 C ATOM 688 CD PRO A 49 12.145 0.775 7.540 1.00 0.00 C ATOM 0 HA PRO A 49 15.350 1.248 7.894 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.999 0.878 10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.755 2.331 9.345 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.053 -0.150 9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.551 1.529 9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.458 -0.007 7.218 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.769 1.715 7.136 1.00 0.00 H new ATOM 696 N VAL A 50 16.050 -0.654 9.518 1.00 0.00 N ATOM 697 CA VAL A 50 16.697 -1.865 10.008 1.00 0.00 C ATOM 698 C VAL A 50 17.120 -1.713 11.465 1.00 0.00 C ATOM 699 O VAL A 50 16.871 -0.681 12.088 1.00 0.00 O ATOM 700 CB VAL A 50 17.932 -2.226 9.161 1.00 0.00 C ATOM 701 CG1 VAL A 50 17.511 -2.710 7.782 1.00 0.00 C ATOM 702 CG2 VAL A 50 18.869 -1.032 9.053 1.00 0.00 C ATOM 0 H VAL A 50 16.404 0.209 9.931 1.00 0.00 H new ATOM 0 HA VAL A 50 15.964 -2.668 9.928 1.00 0.00 H new ATOM 0 HB VAL A 50 18.467 -3.036 9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.397 -2.960 7.198 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.881 -3.594 7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 50 16.953 -1.923 7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.737 -1.304 8.452 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.346 -0.201 8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.197 -0.735 10.049 1.00 0.00 H new ATOM 803 N THR A 57 13.589 -4.543 10.427 1.00 0.00 N ATOM 804 CA THR A 57 12.726 -4.461 11.598 1.00 0.00 C ATOM 805 C THR A 57 11.302 -4.890 11.265 1.00 0.00 C ATOM 806 O THR A 57 10.383 -4.698 12.059 1.00 0.00 O ATOM 807 CB THR A 57 12.697 -3.033 12.175 1.00 0.00 C ATOM 808 OG1 THR A 57 12.059 -2.145 11.253 1.00 0.00 O ATOM 809 CG2 THR A 57 14.106 -2.540 12.470 1.00 0.00 C ATOM 0 HA THR A 57 13.141 -5.139 12.343 1.00 0.00 H new ATOM 0 HB THR A 57 12.133 -3.053 13.108 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.159 -2.492 10.342 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.060 -1.530 12.877 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.579 -3.202 13.196 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.690 -2.535 11.550 1.00 0.00 H new ATOM 817 N GLY A 58 11.127 -5.473 10.083 1.00 0.00 N ATOM 818 CA GLY A 58 9.810 -5.922 9.665 1.00 0.00 C ATOM 819 C GLY A 58 8.870 -4.768 9.376 1.00 0.00 C ATOM 820 O GLY A 58 7.676 -4.973 9.163 1.00 0.00 O ATOM 0 H GLY A 58 11.872 -5.643 9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.906 -6.541 8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.380 -6.551 10.444 1.00 0.00 H new ATOM 824 N GLU A 59 9.409 -3.553 9.372 1.00 0.00 N ATOM 825 CA GLU A 59 8.608 -2.364 9.110 1.00 0.00 C ATOM 826 C GLU A 59 8.984 -1.739 7.769 1.00 0.00 C ATOM 827 O GLU A 59 10.134 -1.812 7.338 1.00 0.00 O ATOM 828 CB GLU A 59 8.794 -1.339 10.231 1.00 0.00 C ATOM 829 CG GLU A 59 8.031 -1.681 11.500 1.00 0.00 C ATOM 830 CD GLU A 59 8.494 -0.871 12.696 1.00 0.00 C ATOM 831 OE1 GLU A 59 9.608 -1.136 13.195 1.00 0.00 O ATOM 832 OE2 GLU A 59 7.744 0.025 13.132 1.00 0.00 O ATOM 0 H GLU A 59 10.396 -3.367 9.547 1.00 0.00 H new ATOM 0 HA GLU A 59 7.561 -2.665 9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.855 -1.258 10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.471 -0.361 9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.967 -1.507 11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.151 -2.743 11.717 1.00 0.00 H new ATOM 839 N ALA A 60 8.003 -1.126 7.113 1.00 0.00 N ATOM 840 CA ALA A 60 8.231 -0.488 5.823 1.00 0.00 C ATOM 841 C ALA A 60 7.177 0.581 5.546 1.00 0.00 C ATOM 842 O ALA A 60 6.015 0.433 5.925 1.00 0.00 O ATOM 843 CB ALA A 60 8.234 -1.528 4.713 1.00 0.00 C ATOM 0 H ALA A 60 7.044 -1.058 7.454 1.00 0.00 H new ATOM 0 HA ALA A 60 9.206 -0.002 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.405 -1.037 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.027 -2.253 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.272 -2.040 4.691 1.00 0.00 H new ATOM 849 N PHE A 61 7.592 1.657 4.885 1.00 0.00 N ATOM 850 CA PHE A 61 6.685 2.750 4.559 1.00 0.00 C ATOM 851 C PHE A 61 6.628 2.980 3.051 1.00 0.00 C ATOM 852 O PHE A 61 7.620 3.369 2.434 1.00 0.00 O ATOM 853 CB PHE A 61 7.125 4.034 5.265 1.00 0.00 C ATOM 854 CG PHE A 61 6.949 3.988 6.756 1.00 0.00 C ATOM 855 CD1 PHE A 61 5.724 4.282 7.332 1.00 0.00 C ATOM 856 CD2 PHE A 61 8.010 3.651 7.582 1.00 0.00 C ATOM 857 CE1 PHE A 61 5.559 4.241 8.705 1.00 0.00 C ATOM 858 CE2 PHE A 61 7.851 3.608 8.954 1.00 0.00 C ATOM 859 CZ PHE A 61 6.624 3.904 9.516 1.00 0.00 C ATOM 0 H PHE A 61 8.551 1.795 4.565 1.00 0.00 H new ATOM 0 HA PHE A 61 5.688 2.476 4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.174 4.224 5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.555 4.873 4.865 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.888 4.546 6.702 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.972 3.419 7.148 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.599 4.472 9.142 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.685 3.343 9.587 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.498 3.872 10.588 1.00 0.00 H new ATOM 869 N VAL A 62 5.460 2.734 2.465 1.00 0.00 N ATOM 870 CA VAL A 62 5.274 2.914 1.030 1.00 0.00 C ATOM 871 C VAL A 62 4.420 4.143 0.737 1.00 0.00 C ATOM 872 O VAL A 62 3.487 4.452 1.476 1.00 0.00 O ATOM 873 CB VAL A 62 4.613 1.678 0.391 1.00 0.00 C ATOM 874 CG1 VAL A 62 4.622 1.792 -1.126 1.00 0.00 C ATOM 875 CG2 VAL A 62 5.312 0.406 0.843 1.00 0.00 C ATOM 0 H VAL A 62 4.630 2.410 2.961 1.00 0.00 H new ATOM 0 HA VAL A 62 6.264 3.052 0.596 1.00 0.00 H new ATOM 0 HB VAL A 62 3.575 1.631 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.151 0.910 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.071 2.683 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.651 1.865 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.832 -0.457 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.360 0.441 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.247 0.321 1.928 1.00 0.00 H new ATOM 885 N GLN A 63 4.747 4.838 -0.348 1.00 0.00 N ATOM 886 CA GLN A 63 4.009 6.034 -0.739 1.00 0.00 C ATOM 887 C GLN A 63 3.404 5.870 -2.130 1.00 0.00 C ATOM 888 O GLN A 63 4.095 6.014 -3.139 1.00 0.00 O ATOM 889 CB GLN A 63 4.927 7.257 -0.710 1.00 0.00 C ATOM 890 CG GLN A 63 4.242 8.542 -1.145 1.00 0.00 C ATOM 891 CD GLN A 63 5.209 9.700 -1.286 1.00 0.00 C ATOM 892 OE1 GLN A 63 6.409 9.556 -1.045 1.00 0.00 O ATOM 893 NE2 GLN A 63 4.693 10.859 -1.679 1.00 0.00 N ATOM 0 H GLN A 63 5.517 4.594 -0.971 1.00 0.00 H new ATOM 0 HA GLN A 63 3.198 6.180 -0.025 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.315 7.386 0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.783 7.074 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.738 8.376 -2.097 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.472 8.803 -0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.693 10.934 -1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.296 11.674 -1.792 1.00 0.00 H new ATOM 902 N PHE A 64 2.110 5.568 -2.175 1.00 0.00 N ATOM 903 CA PHE A 64 1.413 5.384 -3.443 1.00 0.00 C ATOM 904 C PHE A 64 1.303 6.704 -4.200 1.00 0.00 C ATOM 905 O PHE A 64 1.486 7.777 -3.627 1.00 0.00 O ATOM 906 CB PHE A 64 0.018 4.803 -3.200 1.00 0.00 C ATOM 907 CG PHE A 64 0.029 3.338 -2.865 1.00 0.00 C ATOM 908 CD1 PHE A 64 -0.004 2.384 -3.869 1.00 0.00 C ATOM 909 CD2 PHE A 64 0.070 2.917 -1.547 1.00 0.00 C ATOM 910 CE1 PHE A 64 0.004 1.037 -3.563 1.00 0.00 C ATOM 911 CE2 PHE A 64 0.080 1.570 -1.235 1.00 0.00 C ATOM 912 CZ PHE A 64 0.048 0.629 -2.244 1.00 0.00 C ATOM 0 H PHE A 64 1.524 5.446 -1.349 1.00 0.00 H new ATOM 0 HA PHE A 64 1.990 4.686 -4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.458 5.350 -2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.592 4.960 -4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.036 2.697 -4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.094 3.649 -0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.024 0.303 -4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.113 1.255 -0.203 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.057 -0.424 -2.003 1.00 0.00 H new ATOM 922 N ALA A 65 1.002 6.614 -5.492 1.00 0.00 N ATOM 923 CA ALA A 65 0.866 7.801 -6.327 1.00 0.00 C ATOM 924 C ALA A 65 -0.098 8.804 -5.703 1.00 0.00 C ATOM 925 O ALA A 65 0.108 10.015 -5.794 1.00 0.00 O ATOM 926 CB ALA A 65 0.396 7.412 -7.721 1.00 0.00 C ATOM 0 H ALA A 65 0.848 5.733 -5.982 1.00 0.00 H new ATOM 0 HA ALA A 65 1.844 8.276 -6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.298 8.307 -8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.122 6.738 -8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.570 6.912 -7.653 1.00 0.00 H new ATOM 932 N SER A 66 -1.148 8.294 -5.069 1.00 0.00 N ATOM 933 CA SER A 66 -2.146 9.147 -4.433 1.00 0.00 C ATOM 934 C SER A 66 -2.953 8.364 -3.402 1.00 0.00 C ATOM 935 O SER A 66 -2.768 7.158 -3.242 1.00 0.00 O ATOM 936 CB SER A 66 -3.083 9.743 -5.485 1.00 0.00 C ATOM 937 OG SER A 66 -3.310 11.121 -5.244 1.00 0.00 O ATOM 0 H SER A 66 -1.330 7.294 -4.982 1.00 0.00 H new ATOM 0 HA SER A 66 -1.624 9.956 -3.922 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.652 9.610 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.033 9.208 -5.476 1.00 0.00 H new ATOM 0 HG SER A 66 -3.910 11.479 -5.931 1.00 0.00 H new ATOM 943 N GLN A 67 -3.847 9.059 -2.708 1.00 0.00 N ATOM 944 CA GLN A 67 -4.682 8.429 -1.692 1.00 0.00 C ATOM 945 C GLN A 67 -5.619 7.401 -2.317 1.00 0.00 C ATOM 946 O GLN A 67 -5.719 6.270 -1.844 1.00 0.00 O ATOM 947 CB GLN A 67 -5.494 9.487 -0.942 1.00 0.00 C ATOM 948 CG GLN A 67 -5.379 9.383 0.571 1.00 0.00 C ATOM 949 CD GLN A 67 -6.522 8.606 1.191 1.00 0.00 C ATOM 950 OE1 GLN A 67 -6.263 7.352 1.544 1.00 0.00 O flip ATOM 951 NE2 GLN A 67 -7.627 9.124 1.351 1.00 0.00 N flip ATOM 0 H GLN A 67 -4.012 10.058 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.028 7.915 -0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.163 10.477 -1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.543 9.397 -1.225 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.436 8.901 0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.352 10.385 0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.783 10.091 1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.386 8.587 1.769 1.00 0.00 H new ATOM 960 N GLU A 68 -6.302 7.803 -3.385 1.00 0.00 N ATOM 961 CA GLU A 68 -7.231 6.916 -4.074 1.00 0.00 C ATOM 962 C GLU A 68 -6.607 5.541 -4.296 1.00 0.00 C ATOM 963 O GLU A 68 -7.301 4.523 -4.281 1.00 0.00 O ATOM 964 CB GLU A 68 -7.649 7.521 -5.416 1.00 0.00 C ATOM 965 CG GLU A 68 -6.543 7.512 -6.459 1.00 0.00 C ATOM 966 CD GLU A 68 -6.813 8.468 -7.603 1.00 0.00 C ATOM 967 OE1 GLU A 68 -7.980 8.557 -8.040 1.00 0.00 O ATOM 968 OE2 GLU A 68 -5.857 9.127 -8.063 1.00 0.00 O ATOM 0 H GLU A 68 -6.229 8.736 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.114 6.798 -3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.506 6.969 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.977 8.548 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.599 7.777 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.429 6.502 -6.853 1.00 0.00 H new ATOM 975 N ILE A 69 -5.296 5.519 -4.501 1.00 0.00 N ATOM 976 CA ILE A 69 -4.577 4.270 -4.727 1.00 0.00 C ATOM 977 C ILE A 69 -4.187 3.616 -3.405 1.00 0.00 C ATOM 978 O ILE A 69 -4.277 2.398 -3.254 1.00 0.00 O ATOM 979 CB ILE A 69 -3.309 4.494 -5.571 1.00 0.00 C ATOM 980 CG1 ILE A 69 -3.679 5.048 -6.948 1.00 0.00 C ATOM 981 CG2 ILE A 69 -2.530 3.195 -5.708 1.00 0.00 C ATOM 982 CD1 ILE A 69 -2.508 5.120 -7.904 1.00 0.00 C ATOM 0 H ILE A 69 -4.708 6.352 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.252 3.610 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.676 5.223 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.457 4.422 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.102 6.045 -6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.636 3.368 -6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.241 2.838 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.154 2.446 -6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.843 5.522 -8.860 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.738 5.769 -7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.099 4.121 -8.054 1.00 0.00 H new ATOM 994 N ALA A 70 -3.755 4.433 -2.451 1.00 0.00 N ATOM 995 CA ALA A 70 -3.355 3.935 -1.141 1.00 0.00 C ATOM 996 C ALA A 70 -4.456 3.086 -0.517 1.00 0.00 C ATOM 997 O ALA A 70 -4.187 2.040 0.072 1.00 0.00 O ATOM 998 CB ALA A 70 -2.994 5.093 -0.224 1.00 0.00 C ATOM 0 H ALA A 70 -3.673 5.444 -2.561 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.476 3.303 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.697 4.706 0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.168 5.657 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.858 5.747 -0.107 1.00 0.00 H new ATOM 1004 N GLU A 71 -5.697 3.544 -0.649 1.00 0.00 N ATOM 1005 CA GLU A 71 -6.840 2.826 -0.095 1.00 0.00 C ATOM 1006 C GLU A 71 -6.984 1.453 -0.743 1.00 0.00 C ATOM 1007 O GLU A 71 -7.323 0.473 -0.080 1.00 0.00 O ATOM 1008 CB GLU A 71 -8.123 3.635 -0.292 1.00 0.00 C ATOM 1009 CG GLU A 71 -8.253 4.813 0.658 1.00 0.00 C ATOM 1010 CD GLU A 71 -9.670 5.000 1.166 1.00 0.00 C ATOM 1011 OE1 GLU A 71 -10.058 4.286 2.115 1.00 0.00 O ATOM 1012 OE2 GLU A 71 -10.390 5.858 0.614 1.00 0.00 O ATOM 0 H GLU A 71 -5.937 4.408 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.669 2.688 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.157 4.001 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.981 2.976 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.584 4.667 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.930 5.722 0.150 1.00 0.00 H new ATOM 1019 N LYS A 72 -6.727 1.390 -2.045 1.00 0.00 N ATOM 1020 CA LYS A 72 -6.828 0.138 -2.787 1.00 0.00 C ATOM 1021 C LYS A 72 -5.881 -0.910 -2.214 1.00 0.00 C ATOM 1022 O LYS A 72 -6.205 -2.098 -2.172 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.514 0.371 -4.266 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.343 1.476 -4.898 1.00 0.00 C ATOM 1025 CD LYS A 72 -7.637 1.188 -6.360 1.00 0.00 C ATOM 1026 CE LYS A 72 -6.429 1.479 -7.238 1.00 0.00 C ATOM 1027 NZ LYS A 72 -6.748 2.458 -8.314 1.00 0.00 N ATOM 0 H LYS A 72 -6.447 2.192 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.850 -0.230 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.457 0.617 -4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.681 -0.556 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.280 1.586 -4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.812 2.424 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.929 0.144 -6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.482 1.793 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.618 1.868 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.073 0.551 -7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.899 2.630 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.505 2.077 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.063 3.352 -7.887 1.00 0.00 H new ATOM 1041 N ALA A 73 -4.709 -0.465 -1.772 1.00 0.00 N ATOM 1042 CA ALA A 73 -3.716 -1.366 -1.199 1.00 0.00 C ATOM 1043 C ALA A 73 -4.043 -1.688 0.256 1.00 0.00 C ATOM 1044 O ALA A 73 -3.712 -2.765 0.754 1.00 0.00 O ATOM 1045 CB ALA A 73 -2.326 -0.756 -1.306 1.00 0.00 C ATOM 0 H ALA A 73 -4.424 0.514 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.737 -2.298 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.595 -1.439 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.085 -0.581 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.301 0.190 -0.766 1.00 0.00 H new ATOM 1051 N LEU A 74 -4.692 -0.748 0.933 1.00 0.00 N ATOM 1052 CA LEU A 74 -5.064 -0.932 2.333 1.00 0.00 C ATOM 1053 C LEU A 74 -5.849 -2.226 2.522 1.00 0.00 C ATOM 1054 O LEU A 74 -5.614 -2.974 3.472 1.00 0.00 O ATOM 1055 CB LEU A 74 -5.893 0.257 2.822 1.00 0.00 C ATOM 1056 CG LEU A 74 -5.172 1.245 3.739 1.00 0.00 C ATOM 1057 CD1 LEU A 74 -6.058 2.448 4.029 1.00 0.00 C ATOM 1058 CD2 LEU A 74 -4.756 0.563 5.035 1.00 0.00 C ATOM 0 H LEU A 74 -4.972 0.149 0.537 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.148 -0.995 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.260 0.801 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.766 -0.127 3.349 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.274 1.595 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.528 3.141 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.307 2.950 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.974 2.116 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.244 1.281 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.641 0.185 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.085 -0.266 4.811 1.00 0.00 H new ATOM 1070 N LYS A 75 -6.780 -2.486 1.611 1.00 0.00 N ATOM 1071 CA LYS A 75 -7.599 -3.691 1.675 1.00 0.00 C ATOM 1072 C LYS A 75 -6.725 -4.940 1.730 1.00 0.00 C ATOM 1073 O LYS A 75 -7.199 -6.028 2.055 1.00 0.00 O ATOM 1074 CB LYS A 75 -8.532 -3.763 0.464 1.00 0.00 C ATOM 1075 CG LYS A 75 -9.445 -2.556 0.328 1.00 0.00 C ATOM 1076 CD LYS A 75 -10.843 -2.853 0.847 1.00 0.00 C ATOM 1077 CE LYS A 75 -11.827 -1.763 0.450 1.00 0.00 C ATOM 1078 NZ LYS A 75 -13.098 -1.857 1.220 1.00 0.00 N ATOM 0 H LYS A 75 -6.987 -1.878 0.819 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.197 -3.646 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.932 -3.858 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.142 -4.663 0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.023 -1.715 0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.500 -2.257 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.182 -3.812 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.818 -2.944 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.373 -0.786 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.042 -1.838 -0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.742 -1.097 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.544 -2.779 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.897 -1.760 2.236 1.00 0.00 H new ATOM 1092 N LYS A 76 -5.445 -4.775 1.412 1.00 0.00 N ATOM 1093 CA LYS A 76 -4.503 -5.888 1.428 1.00 0.00 C ATOM 1094 C LYS A 76 -3.868 -6.044 2.806 1.00 0.00 C ATOM 1095 O LYS A 76 -2.675 -6.330 2.922 1.00 0.00 O ATOM 1096 CB LYS A 76 -3.414 -5.676 0.374 1.00 0.00 C ATOM 1097 CG LYS A 76 -3.950 -5.214 -0.971 1.00 0.00 C ATOM 1098 CD LYS A 76 -2.836 -4.708 -1.871 1.00 0.00 C ATOM 1099 CE LYS A 76 -1.977 -5.850 -2.390 1.00 0.00 C ATOM 1100 NZ LYS A 76 -2.196 -6.094 -3.843 1.00 0.00 N ATOM 0 H LYS A 76 -5.036 -3.881 1.140 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.053 -6.800 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.701 -4.939 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.867 -6.609 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.468 -6.039 -1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.684 -4.423 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.265 -4.163 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.213 -4.004 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.926 -5.622 -2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.204 -6.758 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.372 -6.589 -4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.046 -6.679 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.323 -5.185 -4.332 1.00 0.00 H new ATOM 1114 N HIS A 77 -4.671 -5.854 3.848 1.00 0.00 N ATOM 1115 CA HIS A 77 -4.187 -5.976 5.218 1.00 0.00 C ATOM 1116 C HIS A 77 -4.003 -7.440 5.602 1.00 0.00 C ATOM 1117 O HIS A 77 -4.659 -8.326 5.051 1.00 0.00 O ATOM 1118 CB HIS A 77 -5.159 -5.301 6.186 1.00 0.00 C ATOM 1119 CG HIS A 77 -4.839 -5.550 7.628 1.00 0.00 C ATOM 1120 ND1 HIS A 77 -3.891 -4.828 8.323 1.00 0.00 N ATOM 1121 CD2 HIS A 77 -5.346 -6.446 8.506 1.00 0.00 C ATOM 1122 CE1 HIS A 77 -3.828 -5.270 9.567 1.00 0.00 C ATOM 1123 NE2 HIS A 77 -4.702 -6.252 9.704 1.00 0.00 N ATOM 0 H HIS A 77 -5.660 -5.615 3.770 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.219 -5.479 5.280 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.155 -4.227 6.002 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.169 -5.656 5.980 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.327 -4.071 7.937 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.114 -7.178 8.303 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.174 -4.893 10.340 1.00 0.00 H new ATOM 1131 N LYS A 78 -3.106 -7.691 6.549 1.00 0.00 N ATOM 1132 CA LYS A 78 -2.835 -9.049 7.008 1.00 0.00 C ATOM 1133 C LYS A 78 -2.454 -9.952 5.839 1.00 0.00 C ATOM 1134 O LYS A 78 -2.459 -11.176 5.962 1.00 0.00 O ATOM 1135 CB LYS A 78 -4.059 -9.619 7.729 1.00 0.00 C ATOM 1136 CG LYS A 78 -4.083 -9.317 9.218 1.00 0.00 C ATOM 1137 CD LYS A 78 -3.622 -10.512 10.036 1.00 0.00 C ATOM 1138 CE LYS A 78 -2.174 -10.363 10.475 1.00 0.00 C ATOM 1139 NZ LYS A 78 -1.983 -10.754 11.899 1.00 0.00 N ATOM 0 H LYS A 78 -2.553 -6.971 7.015 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.996 -9.011 7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.961 -9.215 7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.085 -10.699 7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.440 -8.462 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.093 -9.038 9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.260 -10.621 10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.732 -11.422 9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.537 -10.979 9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.857 -9.329 10.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.983 -10.638 12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.571 -10.149 12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.261 -11.748 12.026 1.00 0.00 H new ATOM 1153 N GLU A 79 -2.124 -9.339 4.706 1.00 0.00 N ATOM 1154 CA GLU A 79 -1.740 -10.089 3.516 1.00 0.00 C ATOM 1155 C GLU A 79 -0.320 -10.633 3.651 1.00 0.00 C ATOM 1156 O GLU A 79 0.644 -9.871 3.722 1.00 0.00 O ATOM 1157 CB GLU A 79 -1.842 -9.203 2.273 1.00 0.00 C ATOM 1158 CG GLU A 79 -3.256 -9.080 1.730 1.00 0.00 C ATOM 1159 CD GLU A 79 -3.475 -9.909 0.479 1.00 0.00 C ATOM 1160 OE1 GLU A 79 -3.754 -11.119 0.610 1.00 0.00 O ATOM 1161 OE2 GLU A 79 -3.369 -9.347 -0.632 1.00 0.00 O ATOM 0 H GLU A 79 -2.115 -8.326 4.588 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.425 -10.930 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.466 -8.209 2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.196 -9.608 1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.964 -9.393 2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.467 -8.034 1.509 1.00 0.00 H new ATOM 1168 N ARG A 80 -0.201 -11.956 3.687 1.00 0.00 N ATOM 1169 CA ARG A 80 1.100 -12.602 3.814 1.00 0.00 C ATOM 1170 C ARG A 80 1.797 -12.694 2.461 1.00 0.00 C ATOM 1171 O ARG A 80 1.154 -12.924 1.435 1.00 0.00 O ATOM 1172 CB ARG A 80 0.941 -14.001 4.414 1.00 0.00 C ATOM 1173 CG ARG A 80 0.234 -14.982 3.493 1.00 0.00 C ATOM 1174 CD ARG A 80 1.226 -15.862 2.751 1.00 0.00 C ATOM 1175 NE ARG A 80 1.271 -15.554 1.323 1.00 0.00 N ATOM 1176 CZ ARG A 80 1.878 -16.320 0.424 1.00 0.00 C ATOM 1177 NH1 ARG A 80 2.489 -17.435 0.802 1.00 0.00 N ATOM 1178 NH2 ARG A 80 1.875 -15.972 -0.856 1.00 0.00 N ATOM 0 H ARG A 80 -0.989 -12.601 3.630 1.00 0.00 H new ATOM 0 HA ARG A 80 1.715 -11.996 4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.927 -14.395 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.383 -13.926 5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.443 -15.606 4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.376 -14.434 2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.219 -15.731 3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.955 -16.909 2.888 1.00 0.00 H new ATOM 0 HE ARG A 80 0.811 -14.703 0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.493 -17.706 1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.954 -18.021 0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.406 -15.115 -1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.342 -16.561 -1.546 1.00 0.00 H new ATOM 1192 N ILE A 81 3.113 -12.513 2.465 1.00 0.00 N ATOM 1193 CA ILE A 81 3.897 -12.577 1.237 1.00 0.00 C ATOM 1194 C ILE A 81 4.893 -13.730 1.280 1.00 0.00 C ATOM 1195 O ILE A 81 5.969 -13.613 1.864 1.00 0.00 O ATOM 1196 CB ILE A 81 4.660 -11.263 0.989 1.00 0.00 C ATOM 1197 CG1 ILE A 81 3.677 -10.105 0.794 1.00 0.00 C ATOM 1198 CG2 ILE A 81 5.570 -11.399 -0.223 1.00 0.00 C ATOM 1199 CD1 ILE A 81 4.310 -8.742 0.962 1.00 0.00 C ATOM 0 H ILE A 81 3.659 -12.321 3.305 1.00 0.00 H new ATOM 0 HA ILE A 81 3.193 -12.739 0.421 1.00 0.00 H new ATOM 0 HB ILE A 81 5.277 -11.049 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.240 -10.174 -0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.860 -10.208 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.102 -10.462 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.289 -12.200 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.971 -11.633 -1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.556 -7.970 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.723 -8.654 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.108 -8.619 0.230 1.00 0.00 H new ATOM 1211 N GLY A 82 4.527 -14.845 0.654 1.00 0.00 N ATOM 1212 CA GLY A 82 5.400 -16.004 0.631 1.00 0.00 C ATOM 1213 C GLY A 82 5.223 -16.888 1.849 1.00 0.00 C ATOM 1214 O GLY A 82 5.079 -18.105 1.726 1.00 0.00 O ATOM 0 H GLY A 82 3.641 -14.966 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.202 -16.587 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.437 -15.673 0.574 1.00 0.00 H new ATOM 1218 N HIS A 83 5.235 -16.277 3.029 1.00 0.00 N ATOM 1219 CA HIS A 83 5.075 -17.018 4.275 1.00 0.00 C ATOM 1220 C HIS A 83 5.244 -16.096 5.480 1.00 0.00 C ATOM 1221 O HIS A 83 5.899 -16.453 6.459 1.00 0.00 O ATOM 1222 CB HIS A 83 6.087 -18.161 4.347 1.00 0.00 C ATOM 1223 CG HIS A 83 7.482 -17.748 3.990 1.00 0.00 C ATOM 1224 ND1 HIS A 83 8.085 -16.617 4.496 1.00 0.00 N ATOM 1225 CD2 HIS A 83 8.394 -18.326 3.174 1.00 0.00 C ATOM 1226 CE1 HIS A 83 9.307 -16.515 4.005 1.00 0.00 C ATOM 1227 NE2 HIS A 83 9.520 -17.540 3.200 1.00 0.00 N ATOM 0 H HIS A 83 5.354 -15.271 3.149 1.00 0.00 H new ATOM 0 HA HIS A 83 4.068 -17.434 4.295 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.086 -18.574 5.356 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.770 -18.959 3.676 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.261 -19.236 2.608 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.012 -15.727 4.225 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.380 -17.719 2.682 1.00 0.00 H new ATOM 1235 N ARG A 84 4.649 -14.910 5.400 1.00 0.00 N ATOM 1236 CA ARG A 84 4.736 -13.939 6.484 1.00 0.00 C ATOM 1237 C ARG A 84 3.624 -12.899 6.371 1.00 0.00 C ATOM 1238 O ARG A 84 3.655 -12.034 5.495 1.00 0.00 O ATOM 1239 CB ARG A 84 6.099 -13.244 6.467 1.00 0.00 C ATOM 1240 CG ARG A 84 7.009 -13.664 7.609 1.00 0.00 C ATOM 1241 CD ARG A 84 6.577 -13.037 8.925 1.00 0.00 C ATOM 1242 NE ARG A 84 7.617 -13.132 9.945 1.00 0.00 N ATOM 1243 CZ ARG A 84 7.515 -12.588 11.153 1.00 0.00 C ATOM 1244 NH1 ARG A 84 6.424 -11.915 11.490 1.00 0.00 N ATOM 1245 NH2 ARG A 84 8.505 -12.718 12.026 1.00 0.00 N ATOM 0 H ARG A 84 4.102 -14.599 4.597 1.00 0.00 H new ATOM 0 HA ARG A 84 4.619 -14.473 7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.595 -13.458 5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.948 -12.165 6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.000 -14.750 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.035 -13.371 7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.325 -11.989 8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.673 -13.531 9.282 1.00 0.00 H new ATOM 0 HE ARG A 84 8.469 -13.644 9.718 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.660 -11.814 10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.348 -11.498 12.418 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.346 -13.236 11.770 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.426 -12.300 12.953 1.00 0.00 H new ATOM 1259 N TYR A 85 2.643 -12.992 7.262 1.00 0.00 N ATOM 1260 CA TYR A 85 1.519 -12.062 7.262 1.00 0.00 C ATOM 1261 C TYR A 85 2.005 -10.621 7.379 1.00 0.00 C ATOM 1262 O TYR A 85 2.854 -10.307 8.214 1.00 0.00 O ATOM 1263 CB TYR A 85 0.562 -12.386 8.410 1.00 0.00 C ATOM 1264 CG TYR A 85 -0.122 -13.727 8.269 1.00 0.00 C ATOM 1265 CD1 TYR A 85 -1.299 -13.855 7.542 1.00 0.00 C ATOM 1266 CD2 TYR A 85 0.409 -14.865 8.862 1.00 0.00 C ATOM 1267 CE1 TYR A 85 -1.928 -15.078 7.412 1.00 0.00 C ATOM 1268 CE2 TYR A 85 -0.211 -16.093 8.735 1.00 0.00 C ATOM 1269 CZ TYR A 85 -1.381 -16.194 8.010 1.00 0.00 C ATOM 1270 OH TYR A 85 -2.003 -17.414 7.881 1.00 0.00 O ATOM 0 H TYR A 85 2.603 -13.702 7.994 1.00 0.00 H new ATOM 0 HA TYR A 85 0.989 -12.171 6.316 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.115 -12.367 9.349 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.196 -11.605 8.471 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.729 -12.984 7.071 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.323 -14.789 9.433 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.844 -15.160 6.845 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.217 -16.969 9.200 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.488 -18.096 8.361 1.00 0.00 H new ATOM 1280 N ILE A 86 1.459 -9.749 6.538 1.00 0.00 N ATOM 1281 CA ILE A 86 1.835 -8.341 6.548 1.00 0.00 C ATOM 1282 C ILE A 86 0.707 -7.476 7.102 1.00 0.00 C ATOM 1283 O ILE A 86 -0.454 -7.638 6.727 1.00 0.00 O ATOM 1284 CB ILE A 86 2.201 -7.845 5.137 1.00 0.00 C ATOM 1285 CG1 ILE A 86 3.036 -8.898 4.404 1.00 0.00 C ATOM 1286 CG2 ILE A 86 2.954 -6.526 5.218 1.00 0.00 C ATOM 1287 CD1 ILE A 86 4.515 -8.817 4.711 1.00 0.00 C ATOM 0 H ILE A 86 0.755 -9.993 5.841 1.00 0.00 H new ATOM 0 HA ILE A 86 2.709 -8.252 7.193 1.00 0.00 H new ATOM 0 HB ILE A 86 1.282 -7.681 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.671 -9.890 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.889 -8.783 3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.206 -6.188 4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.328 -5.779 5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.869 -6.664 5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.045 -9.592 4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.894 -7.838 4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.673 -8.962 5.780 1.00 0.00 H new ATOM 1299 N GLU A 87 1.059 -6.554 7.993 1.00 0.00 N ATOM 1300 CA GLU A 87 0.076 -5.662 8.597 1.00 0.00 C ATOM 1301 C GLU A 87 0.182 -4.259 8.009 1.00 0.00 C ATOM 1302 O GLU A 87 1.145 -3.537 8.266 1.00 0.00 O ATOM 1303 CB GLU A 87 0.269 -5.607 10.114 1.00 0.00 C ATOM 1304 CG GLU A 87 0.169 -6.964 10.791 1.00 0.00 C ATOM 1305 CD GLU A 87 1.438 -7.343 11.528 1.00 0.00 C ATOM 1306 OE1 GLU A 87 1.822 -6.611 12.464 1.00 0.00 O ATOM 1307 OE2 GLU A 87 2.048 -8.373 11.168 1.00 0.00 O ATOM 0 H GLU A 87 2.016 -6.405 8.312 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.917 -6.055 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.245 -5.173 10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.479 -4.941 10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.665 -6.955 11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.052 -7.724 10.042 1.00 0.00 H new ATOM 1314 N ILE A 88 -0.817 -3.879 7.216 1.00 0.00 N ATOM 1315 CA ILE A 88 -0.837 -2.563 6.592 1.00 0.00 C ATOM 1316 C ILE A 88 -1.676 -1.582 7.403 1.00 0.00 C ATOM 1317 O ILE A 88 -2.808 -1.883 7.783 1.00 0.00 O ATOM 1318 CB ILE A 88 -1.390 -2.629 5.156 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -0.443 -3.426 4.257 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -1.600 -1.227 4.603 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -1.149 -4.187 3.157 1.00 0.00 C ATOM 0 H ILE A 88 -1.621 -4.465 6.992 1.00 0.00 H new ATOM 0 HA ILE A 88 0.195 -2.214 6.560 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.354 -3.138 5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.280 -2.744 3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.120 -4.129 4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.991 -1.291 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.310 -0.690 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.649 -0.694 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.415 -4.728 2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.852 -4.895 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.690 -3.487 2.520 1.00 0.00 H new ATOM 1333 N PHE A 89 -1.115 -0.406 7.664 1.00 0.00 N ATOM 1334 CA PHE A 89 -1.811 0.620 8.430 1.00 0.00 C ATOM 1335 C PHE A 89 -1.607 1.997 7.807 1.00 0.00 C ATOM 1336 O PHE A 89 -0.477 2.468 7.668 1.00 0.00 O ATOM 1337 CB PHE A 89 -1.321 0.626 9.880 1.00 0.00 C ATOM 1338 CG PHE A 89 -1.490 -0.693 10.576 1.00 0.00 C ATOM 1339 CD1 PHE A 89 -2.752 -1.224 10.788 1.00 0.00 C ATOM 1340 CD2 PHE A 89 -0.386 -1.405 11.019 1.00 0.00 C ATOM 1341 CE1 PHE A 89 -2.911 -2.439 11.427 1.00 0.00 C ATOM 1342 CE2 PHE A 89 -0.539 -2.620 11.658 1.00 0.00 C ATOM 1343 CZ PHE A 89 -1.803 -3.138 11.864 1.00 0.00 C ATOM 0 H PHE A 89 -0.180 -0.140 7.356 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.876 0.388 8.415 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.267 0.904 9.898 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.863 1.392 10.435 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.622 -0.682 10.450 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.605 -1.005 10.863 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.901 -2.841 11.584 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.330 -3.165 11.997 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.924 -4.087 12.365 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.708 2.640 7.430 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.652 3.964 6.821 1.00 0.00 C ATOM 1355 C LYS A 90 -1.638 4.849 7.538 1.00 0.00 C ATOM 1356 O LYS A 90 -1.608 4.907 8.767 1.00 0.00 O ATOM 1357 CB LYS A 90 -4.033 4.622 6.855 1.00 0.00 C ATOM 1358 CG LYS A 90 -4.511 5.102 5.496 1.00 0.00 C ATOM 1359 CD LYS A 90 -3.852 6.415 5.105 1.00 0.00 C ATOM 1360 CE LYS A 90 -3.692 6.530 3.596 1.00 0.00 C ATOM 1361 NZ LYS A 90 -2.528 7.381 3.226 1.00 0.00 N ATOM 0 H LYS A 90 -3.651 2.265 7.536 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.337 3.847 5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.756 3.910 7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.006 5.468 7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.291 4.345 4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.594 5.228 5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.451 7.248 5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.875 6.489 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.566 5.536 3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.601 6.950 3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.587 7.631 2.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.537 8.249 3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.646 6.859 3.402 1.00 0.00 H new ATOM 1375 N SER A 91 -0.808 5.540 6.760 1.00 0.00 N ATOM 1376 CA SER A 91 0.209 6.420 7.321 1.00 0.00 C ATOM 1377 C SER A 91 0.314 7.712 6.515 1.00 0.00 C ATOM 1378 O SER A 91 -0.486 7.959 5.612 1.00 0.00 O ATOM 1379 CB SER A 91 1.566 5.714 7.351 1.00 0.00 C ATOM 1380 OG SER A 91 2.482 6.404 8.183 1.00 0.00 O ATOM 0 H SER A 91 -0.821 5.506 5.741 1.00 0.00 H new ATOM 0 HA SER A 91 -0.085 6.670 8.340 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.440 4.693 7.712 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.967 5.648 6.340 1.00 0.00 H new ATOM 0 HG SER A 91 3.186 6.806 7.632 1.00 0.00 H new ATOM 1386 N SER A 92 1.305 8.532 6.849 1.00 0.00 N ATOM 1387 CA SER A 92 1.513 9.800 6.159 1.00 0.00 C ATOM 1388 C SER A 92 2.999 10.058 5.934 1.00 0.00 C ATOM 1389 O SER A 92 3.851 9.480 6.609 1.00 0.00 O ATOM 1390 CB SER A 92 0.901 10.948 6.963 1.00 0.00 C ATOM 1391 OG SER A 92 -0.499 11.029 6.752 1.00 0.00 O ATOM 0 H SER A 92 1.976 8.341 7.593 1.00 0.00 H new ATOM 0 HA SER A 92 1.021 9.742 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.104 10.802 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.370 11.889 6.675 1.00 0.00 H new ATOM 0 HG SER A 92 -0.821 10.188 6.365 1.00 0.00 H new ATOM 1397 N ARG A 93 3.304 10.932 4.980 1.00 0.00 N ATOM 1398 CA ARG A 93 4.687 11.267 4.663 1.00 0.00 C ATOM 1399 C ARG A 93 5.431 11.736 5.910 1.00 0.00 C ATOM 1400 O ARG A 93 6.503 11.226 6.235 1.00 0.00 O ATOM 1401 CB ARG A 93 4.737 12.353 3.588 1.00 0.00 C ATOM 1402 CG ARG A 93 6.132 12.909 3.348 1.00 0.00 C ATOM 1403 CD ARG A 93 6.833 12.184 2.210 1.00 0.00 C ATOM 1404 NE ARG A 93 8.025 12.895 1.759 1.00 0.00 N ATOM 1405 CZ ARG A 93 8.879 12.408 0.865 1.00 0.00 C ATOM 1406 NH1 ARG A 93 8.672 11.214 0.329 1.00 0.00 N ATOM 1407 NH2 ARG A 93 9.942 13.117 0.506 1.00 0.00 N ATOM 0 H ARG A 93 2.611 11.421 4.413 1.00 0.00 H new ATOM 0 HA ARG A 93 5.175 10.369 4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.352 11.945 2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.075 13.169 3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.066 13.972 3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.723 12.816 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.111 11.182 2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.143 12.068 1.375 1.00 0.00 H new ATOM 0 HE ARG A 93 8.213 13.817 2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.856 10.667 0.602 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.329 10.842 -0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.104 14.037 0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.597 12.742 -0.180 1.00 0.00 H new