USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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 27 THR OG1 : rot -31:sc= 0.973 USER MOD Set 1.2: A 31 THR OG1 : rot 75:sc= 0.771! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= -0.759 (180deg=-1.46!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.388 K(o=-0.39,f=-3.2!) USER MOD Single : A 29 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.38) USER MOD Single : A 37 GLN : amide:sc= -4.93! C(o=-4.9!,f=-6.8!) USER MOD Single : A 38 TYR OH : rot 146:sc= -2.74! USER MOD Single : A 43 SER OG : rot 180:sc= -3.37! USER MOD Single : A 46 LYS NZ :NH3+ -110:sc= -1.18 (180deg=-2.52!) USER MOD Single : A 65 THR OG1 : rot -150:sc= -0.498 USER MOD Single : A 67 ASN : amide:sc= -15.8! C(o=-16!,f=-26!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0828 USER MOD Single : A 78 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.24) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -5.42! C(o=-5.4!,f=-5.1!) USER MOD Single : A 100 LYS NZ :NH3+ -149:sc= -0.852 (180deg=-2.9!) USER MOD Single : A 102 ASN :FLIP amide:sc= -2.19! C(o=-3.3!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 11.984 -0.197 3.362 1.00 0.00 N ATOM 216 CA CYS A 14 11.705 1.050 4.121 1.00 0.00 C ATOM 217 C CYS A 14 10.841 0.730 5.342 1.00 0.00 C ATOM 218 O CYS A 14 9.643 0.552 5.239 1.00 0.00 O ATOM 219 CB CYS A 14 10.963 1.963 3.139 1.00 0.00 C ATOM 220 SG CYS A 14 12.149 2.719 1.993 1.00 0.00 S ATOM 0 HA CYS A 14 12.612 1.526 4.493 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.221 1.389 2.584 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.424 2.738 3.684 1.00 0.00 H new ATOM 225 N THR A 15 11.444 0.640 6.495 1.00 0.00 N ATOM 226 CA THR A 15 10.662 0.312 7.720 1.00 0.00 C ATOM 227 C THR A 15 10.304 1.580 8.501 1.00 0.00 C ATOM 228 O THR A 15 9.590 1.525 9.482 1.00 0.00 O ATOM 229 CB THR A 15 11.588 -0.579 8.550 1.00 0.00 C ATOM 230 OG1 THR A 15 12.798 0.117 8.815 1.00 0.00 O ATOM 231 CG2 THR A 15 11.894 -1.863 7.778 1.00 0.00 C ATOM 0 H THR A 15 12.444 0.779 6.642 1.00 0.00 H new ATOM 0 HA THR A 15 9.719 -0.178 7.478 1.00 0.00 H new ATOM 0 HB THR A 15 11.100 -0.833 9.491 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.392 -0.451 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.554 -2.496 8.371 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.965 -2.396 7.576 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.382 -1.613 6.836 1.00 0.00 H new ATOM 239 N GLY A 16 10.786 2.721 8.086 1.00 0.00 N ATOM 240 CA GLY A 16 10.451 3.964 8.834 1.00 0.00 C ATOM 241 C GLY A 16 8.932 4.156 8.846 1.00 0.00 C ATOM 242 O GLY A 16 8.211 3.418 9.488 1.00 0.00 O ATOM 0 H GLY A 16 11.389 2.845 7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.829 3.901 9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.934 4.823 8.368 1.00 0.00 H new ATOM 246 N LYS A 17 8.436 5.140 8.146 1.00 0.00 N ATOM 247 CA LYS A 17 6.963 5.375 8.127 1.00 0.00 C ATOM 248 C LYS A 17 6.524 5.828 6.729 1.00 0.00 C ATOM 249 O LYS A 17 7.335 6.250 5.928 1.00 0.00 O ATOM 250 CB LYS A 17 6.754 6.501 9.144 1.00 0.00 C ATOM 251 CG LYS A 17 5.358 6.404 9.763 1.00 0.00 C ATOM 252 CD LYS A 17 4.584 7.690 9.478 1.00 0.00 C ATOM 253 CE LYS A 17 4.094 7.668 8.031 1.00 0.00 C ATOM 254 NZ LYS A 17 3.179 8.838 7.916 1.00 0.00 N ATOM 0 H LYS A 17 8.987 5.791 7.586 1.00 0.00 H new ATOM 0 HA LYS A 17 6.385 4.482 8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.511 6.440 9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.877 7.468 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.825 5.547 9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.436 6.244 10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.738 7.779 10.160 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.222 8.558 9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.926 7.747 7.331 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.575 6.737 7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.935 8.991 6.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.312 8.655 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.650 9.686 8.291 1.00 0.00 H new ATOM 268 N PHE A 18 5.253 5.748 6.422 1.00 0.00 N ATOM 269 CA PHE A 18 4.799 6.187 5.067 1.00 0.00 C ATOM 270 C PHE A 18 3.663 7.207 5.167 1.00 0.00 C ATOM 271 O PHE A 18 2.737 7.054 5.938 1.00 0.00 O ATOM 272 CB PHE A 18 4.322 4.922 4.373 1.00 0.00 C ATOM 273 CG PHE A 18 5.503 4.260 3.719 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.332 3.433 4.477 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.782 4.485 2.366 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.444 2.823 3.889 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.896 3.878 1.774 1.00 0.00 C ATOM 278 CZ PHE A 18 7.727 3.046 2.537 1.00 0.00 C ATOM 0 H PHE A 18 4.520 5.403 7.041 1.00 0.00 H new ATOM 0 HA PHE A 18 5.602 6.677 4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.860 4.246 5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.563 5.162 3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.114 3.263 5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.139 5.125 1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.083 2.181 4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.115 4.051 0.731 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.586 2.577 2.081 1.00 0.00 H new ATOM 288 N LYS A 19 3.728 8.245 4.380 1.00 0.00 N ATOM 289 CA LYS A 19 2.656 9.278 4.407 1.00 0.00 C ATOM 290 C LYS A 19 1.813 9.177 3.139 1.00 0.00 C ATOM 291 O LYS A 19 2.308 9.341 2.044 1.00 0.00 O ATOM 292 CB LYS A 19 3.394 10.616 4.438 1.00 0.00 C ATOM 293 CG LYS A 19 2.379 11.759 4.470 1.00 0.00 C ATOM 294 CD LYS A 19 3.093 13.085 4.193 1.00 0.00 C ATOM 295 CE LYS A 19 3.223 13.288 2.682 1.00 0.00 C ATOM 296 NZ LYS A 19 2.091 14.186 2.317 1.00 0.00 N ATOM 0 H LYS A 19 4.482 8.423 3.716 1.00 0.00 H new ATOM 0 HA LYS A 19 1.987 9.159 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.041 10.666 5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.035 10.710 3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.602 11.590 3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.887 11.795 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.535 13.910 4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.079 13.083 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.182 13.737 2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.162 12.339 2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.112 14.373 1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.191 13.729 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.179 15.084 2.834 1.00 0.00 H new ATOM 310 N VAL A 20 0.545 8.916 3.265 1.00 0.00 N ATOM 311 CA VAL A 20 -0.295 8.821 2.044 1.00 0.00 C ATOM 312 C VAL A 20 -0.241 10.156 1.297 1.00 0.00 C ATOM 313 O VAL A 20 -0.436 11.211 1.868 1.00 0.00 O ATOM 314 CB VAL A 20 -1.714 8.536 2.542 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.649 8.351 1.344 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.714 7.257 3.383 1.00 0.00 C ATOM 0 H VAL A 20 0.059 8.766 4.149 1.00 0.00 H new ATOM 0 HA VAL A 20 0.043 8.043 1.360 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.058 9.373 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.659 8.148 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.652 9.259 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.302 7.514 0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.725 7.055 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.369 6.421 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.049 7.383 4.237 1.00 0.00 H new ATOM 326 N VAL A 21 0.012 10.110 0.025 1.00 0.00 N ATOM 327 CA VAL A 21 0.073 11.352 -0.788 1.00 0.00 C ATOM 328 C VAL A 21 -1.230 11.438 -1.571 1.00 0.00 C ATOM 329 O VAL A 21 -1.704 12.499 -1.928 1.00 0.00 O ATOM 330 CB VAL A 21 1.291 11.147 -1.697 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.363 12.248 -2.753 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.562 11.189 -0.846 1.00 0.00 C ATOM 0 H VAL A 21 0.182 9.250 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 21 0.177 12.277 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 21 1.200 10.183 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.233 12.086 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.460 12.227 -3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.447 13.218 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.433 11.044 -1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.635 12.156 -0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.525 10.397 -0.098 1.00 0.00 H new ATOM 342 N LYS A 22 -1.830 10.301 -1.787 1.00 0.00 N ATOM 343 CA LYS A 22 -3.136 10.237 -2.488 1.00 0.00 C ATOM 344 C LYS A 22 -3.773 8.881 -2.191 1.00 0.00 C ATOM 345 O LYS A 22 -3.122 7.846 -2.251 1.00 0.00 O ATOM 346 CB LYS A 22 -2.843 10.395 -3.974 1.00 0.00 C ATOM 347 CG LYS A 22 -4.116 10.095 -4.765 1.00 0.00 C ATOM 348 CD LYS A 22 -3.749 9.363 -6.056 1.00 0.00 C ATOM 349 CE LYS A 22 -4.885 9.512 -7.071 1.00 0.00 C ATOM 350 NZ LYS A 22 -4.258 10.162 -8.255 1.00 0.00 N ATOM 0 H LYS A 22 -1.459 9.395 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.825 11.016 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.498 11.407 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.044 9.717 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.794 9.485 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.641 11.022 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.825 9.770 -6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.568 8.308 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.311 8.543 -7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.696 10.120 -6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.975 10.298 -8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.867 11.085 -7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.494 9.557 -8.619 1.00 0.00 H new ATOM 364 N GLU A 23 -5.030 8.889 -1.853 1.00 0.00 N ATOM 365 CA GLU A 23 -5.737 7.620 -1.512 1.00 0.00 C ATOM 366 C GLU A 23 -5.558 6.577 -2.610 1.00 0.00 C ATOM 367 O GLU A 23 -5.295 6.894 -3.752 1.00 0.00 O ATOM 368 CB GLU A 23 -7.209 8.012 -1.383 1.00 0.00 C ATOM 369 CG GLU A 23 -7.855 7.208 -0.253 1.00 0.00 C ATOM 370 CD GLU A 23 -9.245 7.773 0.047 1.00 0.00 C ATOM 371 OE1 GLU A 23 -9.849 8.319 -0.861 1.00 0.00 O ATOM 372 OE2 GLU A 23 -9.680 7.649 1.180 1.00 0.00 O ATOM 0 H GLU A 23 -5.606 9.729 -1.797 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.344 7.173 -0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.295 9.079 -1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.730 7.823 -2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.931 6.158 -0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.232 7.252 0.641 1.00 0.00 H new ATOM 379 N ILE A 24 -5.701 5.329 -2.262 1.00 0.00 N ATOM 380 CA ILE A 24 -5.543 4.254 -3.274 1.00 0.00 C ATOM 381 C ILE A 24 -6.389 4.574 -4.508 1.00 0.00 C ATOM 382 O ILE A 24 -7.555 4.905 -4.413 1.00 0.00 O ATOM 383 CB ILE A 24 -6.026 2.967 -2.578 1.00 0.00 C ATOM 384 CG1 ILE A 24 -4.820 2.192 -2.047 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.786 2.070 -3.564 1.00 0.00 C ATOM 386 CD1 ILE A 24 -3.825 1.953 -3.187 1.00 0.00 C ATOM 0 H ILE A 24 -5.921 5.009 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.514 4.151 -3.619 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.690 3.247 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.341 2.750 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.143 1.240 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.118 1.167 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.652 2.607 -3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.128 1.798 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.965 1.400 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.308 1.377 -3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.493 2.911 -3.587 1.00 0.00 H new ATOM 398 N ALA A 25 -5.809 4.452 -5.663 1.00 0.00 N ATOM 399 CA ALA A 25 -6.563 4.718 -6.910 1.00 0.00 C ATOM 400 C ALA A 25 -6.817 3.387 -7.611 1.00 0.00 C ATOM 401 O ALA A 25 -6.304 2.367 -7.203 1.00 0.00 O ATOM 402 CB ALA A 25 -5.649 5.610 -7.747 1.00 0.00 C ATOM 0 H ALA A 25 -4.836 4.177 -5.797 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.527 5.197 -6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.140 5.851 -8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.440 6.530 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.714 5.087 -7.948 1.00 0.00 H new ATOM 408 N GLU A 26 -7.595 3.371 -8.650 1.00 0.00 N ATOM 409 CA GLU A 26 -7.852 2.077 -9.336 1.00 0.00 C ATOM 410 C GLU A 26 -7.283 2.100 -10.752 1.00 0.00 C ATOM 411 O GLU A 26 -7.512 3.018 -11.513 1.00 0.00 O ATOM 412 CB GLU A 26 -9.371 1.935 -9.363 1.00 0.00 C ATOM 413 CG GLU A 26 -9.997 3.253 -9.814 1.00 0.00 C ATOM 414 CD GLU A 26 -10.510 4.020 -8.594 1.00 0.00 C ATOM 415 OE1 GLU A 26 -11.633 3.767 -8.189 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.772 4.847 -8.085 1.00 0.00 O ATOM 0 H GLU A 26 -8.060 4.185 -9.052 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.377 1.240 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.660 1.132 -10.041 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.739 1.665 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.261 3.852 -10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.817 3.060 -10.506 1.00 0.00 H new ATOM 423 N THR A 27 -6.540 1.090 -11.109 1.00 0.00 N ATOM 424 CA THR A 27 -5.953 1.049 -12.477 1.00 0.00 C ATOM 425 C THR A 27 -6.968 0.468 -13.464 1.00 0.00 C ATOM 426 O THR A 27 -8.053 0.070 -13.089 1.00 0.00 O ATOM 427 CB THR A 27 -4.734 0.133 -12.358 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.170 -1.207 -12.190 1.00 0.00 O ATOM 429 CG2 THR A 27 -3.884 0.552 -11.154 1.00 0.00 C ATOM 0 H THR A 27 -6.314 0.293 -10.514 1.00 0.00 H new ATOM 0 HA THR A 27 -5.682 2.039 -12.843 1.00 0.00 H new ATOM 0 HB THR A 27 -4.132 0.212 -13.263 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.025 -1.215 -11.711 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.017 -0.104 -11.075 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.549 1.581 -11.285 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.480 0.478 -10.244 1.00 0.00 H new ATOM 437 N GLN A 28 -6.625 0.416 -14.721 1.00 0.00 N ATOM 438 CA GLN A 28 -7.575 -0.140 -15.726 1.00 0.00 C ATOM 439 C GLN A 28 -7.323 -1.638 -15.918 1.00 0.00 C ATOM 440 O GLN A 28 -7.571 -2.188 -16.973 1.00 0.00 O ATOM 441 CB GLN A 28 -7.279 0.627 -17.015 1.00 0.00 C ATOM 442 CG GLN A 28 -7.194 2.124 -16.709 1.00 0.00 C ATOM 443 CD GLN A 28 -8.219 2.878 -17.557 1.00 0.00 C ATOM 444 OE1 GLN A 28 -8.762 2.335 -18.499 1.00 0.00 O ATOM 445 NE2 GLN A 28 -8.507 4.117 -17.263 1.00 0.00 N ATOM 0 H GLN A 28 -5.731 0.733 -15.096 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.615 -0.032 -15.419 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.342 0.280 -17.450 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.061 0.439 -17.751 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.382 2.301 -15.650 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.190 2.493 -16.920 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.051 4.573 -16.472 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.188 4.629 -17.824 1.00 0.00 H new ATOM 454 N HIS A 29 -6.834 -2.303 -14.906 1.00 0.00 N ATOM 455 CA HIS A 29 -6.569 -3.766 -15.035 1.00 0.00 C ATOM 456 C HIS A 29 -7.111 -4.514 -13.814 1.00 0.00 C ATOM 457 O HIS A 29 -6.921 -5.706 -13.670 1.00 0.00 O ATOM 458 CB HIS A 29 -5.046 -3.887 -15.103 1.00 0.00 C ATOM 459 CG HIS A 29 -4.641 -4.333 -16.482 1.00 0.00 C ATOM 460 ND1 HIS A 29 -5.266 -5.384 -17.133 1.00 0.00 N ATOM 461 CD2 HIS A 29 -3.674 -3.878 -17.346 1.00 0.00 C ATOM 462 CE1 HIS A 29 -4.676 -5.527 -18.333 1.00 0.00 C ATOM 463 NE2 HIS A 29 -3.699 -4.633 -18.514 1.00 0.00 N ATOM 0 H HIS A 29 -6.607 -1.898 -13.998 1.00 0.00 H new ATOM 0 HA HIS A 29 -7.054 -4.197 -15.911 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.583 -2.928 -14.868 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.693 -4.602 -14.359 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -2.998 -3.059 -17.148 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.957 -6.273 -19.061 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.100 -4.527 -19.333 1.00 0.00 H new ATOM 471 N GLY A 30 -7.786 -3.826 -12.934 1.00 0.00 N ATOM 472 CA GLY A 30 -8.337 -4.500 -11.724 1.00 0.00 C ATOM 473 C GLY A 30 -7.440 -4.207 -10.520 1.00 0.00 C ATOM 474 O GLY A 30 -7.725 -4.608 -9.408 1.00 0.00 O ATOM 0 H GLY A 30 -7.980 -2.827 -13.001 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.350 -4.149 -11.529 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.399 -5.575 -11.891 1.00 0.00 H new ATOM 478 N THR A 31 -6.355 -3.512 -10.731 1.00 0.00 N ATOM 479 CA THR A 31 -5.438 -3.194 -9.599 1.00 0.00 C ATOM 480 C THR A 31 -5.801 -1.847 -8.980 1.00 0.00 C ATOM 481 O THR A 31 -6.755 -1.203 -9.369 1.00 0.00 O ATOM 482 CB THR A 31 -4.039 -3.120 -10.219 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.138 -3.207 -11.634 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.195 -4.278 -9.696 1.00 0.00 C ATOM 0 H THR A 31 -6.064 -3.150 -11.639 1.00 0.00 H new ATOM 0 HA THR A 31 -5.501 -3.942 -8.809 1.00 0.00 H new ATOM 0 HB THR A 31 -3.571 -2.173 -9.949 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.466 -2.356 -11.992 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.198 -4.229 -10.135 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.117 -4.211 -8.611 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.665 -5.223 -9.968 1.00 0.00 H new ATOM 492 N ILE A 32 -5.024 -1.409 -8.035 1.00 0.00 N ATOM 493 CA ILE A 32 -5.280 -0.091 -7.392 1.00 0.00 C ATOM 494 C ILE A 32 -3.941 0.597 -7.192 1.00 0.00 C ATOM 495 O ILE A 32 -2.915 -0.042 -7.169 1.00 0.00 O ATOM 496 CB ILE A 32 -5.963 -0.340 -6.034 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.091 -1.838 -5.736 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.356 0.287 -6.064 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.120 -2.058 -4.222 1.00 0.00 C ATOM 0 H ILE A 32 -4.213 -1.912 -7.675 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.925 0.537 -8.007 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.352 0.109 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.000 -2.233 -6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.254 -2.380 -6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.852 0.118 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.269 1.359 -6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.943 -0.168 -6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.211 -3.123 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.198 -1.678 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.972 -1.529 -3.794 1.00 0.00 H new ATOM 511 N VAL A 33 -3.927 1.887 -7.084 1.00 0.00 N ATOM 512 CA VAL A 33 -2.624 2.585 -6.935 1.00 0.00 C ATOM 513 C VAL A 33 -2.555 3.417 -5.658 1.00 0.00 C ATOM 514 O VAL A 33 -3.439 4.191 -5.357 1.00 0.00 O ATOM 515 CB VAL A 33 -2.570 3.485 -8.156 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.384 4.438 -8.031 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.420 2.620 -9.408 1.00 0.00 C ATOM 0 H VAL A 33 -4.751 2.488 -7.092 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.791 1.886 -6.864 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.487 4.069 -8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.343 5.085 -8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.500 5.047 -7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.461 3.863 -7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.381 3.260 -10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.501 2.038 -9.340 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.272 1.945 -9.488 1.00 0.00 H new ATOM 527 N ILE A 34 -1.490 3.284 -4.914 1.00 0.00 N ATOM 528 CA ILE A 34 -1.352 4.083 -3.679 1.00 0.00 C ATOM 529 C ILE A 34 -0.223 5.090 -3.843 1.00 0.00 C ATOM 530 O ILE A 34 0.912 4.735 -4.057 1.00 0.00 O ATOM 531 CB ILE A 34 -1.061 3.072 -2.565 1.00 0.00 C ATOM 532 CG1 ILE A 34 -1.847 3.502 -1.342 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.435 3.024 -2.217 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.215 4.765 -0.766 1.00 0.00 C ATOM 0 H ILE A 34 -0.713 2.654 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.248 4.659 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.351 2.076 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.887 3.689 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.848 2.707 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.601 2.296 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.005 2.734 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.762 4.008 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.774 5.082 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.182 4.560 -0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.237 5.557 -1.515 1.00 0.00 H new ATOM 546 N ARG A 35 -0.526 6.340 -3.730 1.00 0.00 N ATOM 547 CA ARG A 35 0.533 7.363 -3.872 1.00 0.00 C ATOM 548 C ARG A 35 0.872 7.884 -2.481 1.00 0.00 C ATOM 549 O ARG A 35 0.052 8.479 -1.811 1.00 0.00 O ATOM 550 CB ARG A 35 -0.080 8.434 -4.787 1.00 0.00 C ATOM 551 CG ARG A 35 0.265 9.843 -4.291 1.00 0.00 C ATOM 552 CD ARG A 35 -0.024 10.859 -5.397 1.00 0.00 C ATOM 553 NE ARG A 35 1.311 11.195 -5.967 1.00 0.00 N ATOM 554 CZ ARG A 35 1.451 12.239 -6.739 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.421 12.994 -7.017 1.00 0.00 N ATOM 556 NH2 ARG A 35 2.622 12.528 -7.235 1.00 0.00 N ATOM 0 H ARG A 35 -1.462 6.701 -3.545 1.00 0.00 H new ATOM 0 HA ARG A 35 1.466 7.000 -4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.288 8.302 -5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.163 8.312 -4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.320 10.081 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.315 9.892 -4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.684 10.439 -6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.519 11.745 -5.000 1.00 0.00 H new ATOM 0 HE ARG A 35 2.118 10.608 -5.754 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.496 12.769 -6.631 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.534 13.809 -7.620 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.426 11.939 -7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.733 13.343 -7.838 1.00 0.00 H new ATOM 570 N VAL A 36 2.067 7.645 -2.031 1.00 0.00 N ATOM 571 CA VAL A 36 2.444 8.100 -0.685 1.00 0.00 C ATOM 572 C VAL A 36 3.826 8.682 -0.732 1.00 0.00 C ATOM 573 O VAL A 36 4.431 8.790 -1.772 1.00 0.00 O ATOM 574 CB VAL A 36 2.396 6.857 0.213 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.242 5.954 -0.217 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.713 6.077 0.107 1.00 0.00 C ATOM 0 H VAL A 36 2.797 7.152 -2.545 1.00 0.00 H new ATOM 0 HA VAL A 36 1.776 8.872 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 36 2.248 7.176 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.212 5.072 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.302 6.499 -0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.388 5.646 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.667 5.197 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.869 5.765 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.539 6.714 0.423 1.00 0.00 H new ATOM 586 N GLN A 37 4.317 9.055 0.385 1.00 0.00 N ATOM 587 CA GLN A 37 5.656 9.641 0.437 1.00 0.00 C ATOM 588 C GLN A 37 6.446 8.907 1.510 1.00 0.00 C ATOM 589 O GLN A 37 5.965 8.691 2.605 1.00 0.00 O ATOM 590 CB GLN A 37 5.378 11.083 0.818 1.00 0.00 C ATOM 591 CG GLN A 37 6.689 11.866 0.906 1.00 0.00 C ATOM 592 CD GLN A 37 6.567 12.944 1.985 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.167 14.057 1.706 1.00 0.00 O ATOM 594 NE2 GLN A 37 6.900 12.659 3.214 1.00 0.00 N ATOM 0 H GLN A 37 3.841 8.979 1.284 1.00 0.00 H new ATOM 0 HA GLN A 37 6.235 9.574 -0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.720 11.542 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.858 11.121 1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.513 11.192 1.142 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.917 12.324 -0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.236 11.725 3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.825 13.371 3.941 1.00 0.00 H new ATOM 603 N TYR A 38 7.631 8.488 1.206 1.00 0.00 N ATOM 604 CA TYR A 38 8.405 7.730 2.226 1.00 0.00 C ATOM 605 C TYR A 38 8.645 8.587 3.471 1.00 0.00 C ATOM 606 O TYR A 38 9.220 9.648 3.409 1.00 0.00 O ATOM 607 CB TYR A 38 9.730 7.382 1.553 1.00 0.00 C ATOM 608 CG TYR A 38 10.579 6.568 2.502 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.973 5.720 3.440 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.974 6.660 2.443 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.764 4.969 4.318 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.765 5.909 3.320 1.00 0.00 C ATOM 613 CZ TYR A 38 12.160 5.063 4.257 1.00 0.00 C ATOM 614 OH TYR A 38 12.939 4.323 5.122 1.00 0.00 O ATOM 0 H TYR A 38 8.098 8.631 0.310 1.00 0.00 H new ATOM 0 HA TYR A 38 7.871 6.839 2.557 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.548 6.820 0.637 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.256 8.293 1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.896 5.646 3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.441 7.312 1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.298 4.317 5.042 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.842 5.982 3.274 1.00 0.00 H new ATOM 0 HH TYR A 38 13.765 4.053 4.669 1.00 0.00 H new ATOM 624 N GLU A 39 8.215 8.121 4.609 1.00 0.00 N ATOM 625 CA GLU A 39 8.434 8.897 5.861 1.00 0.00 C ATOM 626 C GLU A 39 9.430 8.147 6.738 1.00 0.00 C ATOM 627 O GLU A 39 9.440 8.271 7.947 1.00 0.00 O ATOM 628 CB GLU A 39 7.065 8.976 6.535 1.00 0.00 C ATOM 629 CG GLU A 39 6.349 10.245 6.072 1.00 0.00 C ATOM 630 CD GLU A 39 5.430 10.751 7.184 1.00 0.00 C ATOM 631 OE1 GLU A 39 5.323 10.072 8.192 1.00 0.00 O ATOM 632 OE2 GLU A 39 4.849 11.809 7.010 1.00 0.00 O ATOM 0 H GLU A 39 7.721 7.236 4.727 1.00 0.00 H new ATOM 0 HA GLU A 39 8.838 9.893 5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.471 8.097 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.180 8.984 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.079 11.012 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.769 10.040 5.172 1.00 0.00 H new ATOM 639 N GLY A 40 10.268 7.361 6.124 1.00 0.00 N ATOM 640 CA GLY A 40 11.273 6.582 6.889 1.00 0.00 C ATOM 641 C GLY A 40 12.672 6.957 6.411 1.00 0.00 C ATOM 642 O GLY A 40 12.876 7.987 5.800 1.00 0.00 O ATOM 0 H GLY A 40 10.298 7.225 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.174 6.786 7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.103 5.514 6.752 1.00 0.00 H new ATOM 646 N ASP A 41 13.637 6.129 6.684 1.00 0.00 N ATOM 647 CA ASP A 41 15.024 6.441 6.239 1.00 0.00 C ATOM 648 C ASP A 41 15.589 5.288 5.407 1.00 0.00 C ATOM 649 O ASP A 41 15.256 4.139 5.616 1.00 0.00 O ATOM 650 CB ASP A 41 15.827 6.618 7.528 1.00 0.00 C ATOM 651 CG ASP A 41 15.702 5.356 8.383 1.00 0.00 C ATOM 652 OD1 ASP A 41 14.897 4.507 8.039 1.00 0.00 O ATOM 653 OD2 ASP A 41 16.417 5.258 9.367 1.00 0.00 O ATOM 0 H ASP A 41 13.529 5.252 7.194 1.00 0.00 H new ATOM 0 HA ASP A 41 15.062 7.331 5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.874 6.809 7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.461 7.483 8.081 1.00 0.00 H new ATOM 658 N GLY A 42 16.449 5.583 4.469 1.00 0.00 N ATOM 659 CA GLY A 42 17.034 4.492 3.638 1.00 0.00 C ATOM 660 C GLY A 42 17.272 4.966 2.199 1.00 0.00 C ATOM 661 O GLY A 42 17.788 4.229 1.383 1.00 0.00 O ATOM 0 H GLY A 42 16.770 6.525 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.976 4.161 4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.364 3.632 3.636 1.00 0.00 H new ATOM 665 N SER A 43 16.911 6.179 1.865 1.00 0.00 N ATOM 666 CA SER A 43 17.142 6.641 0.469 1.00 0.00 C ATOM 667 C SER A 43 16.595 5.570 -0.493 1.00 0.00 C ATOM 668 O SER A 43 15.702 4.842 -0.112 1.00 0.00 O ATOM 669 CB SER A 43 18.659 6.776 0.395 1.00 0.00 C ATOM 670 OG SER A 43 19.002 7.843 -0.480 1.00 0.00 O ATOM 0 H SER A 43 16.474 6.857 2.489 1.00 0.00 H new ATOM 0 HA SER A 43 16.649 7.575 0.200 1.00 0.00 H new ATOM 0 HB2 SER A 43 19.066 6.962 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.100 5.845 0.039 1.00 0.00 H new ATOM 0 HG SER A 43 19.977 7.929 -0.525 1.00 0.00 H new ATOM 676 N PRO A 44 17.123 5.476 -1.700 1.00 0.00 N ATOM 677 CA PRO A 44 16.621 4.447 -2.637 1.00 0.00 C ATOM 678 C PRO A 44 16.395 3.143 -1.874 1.00 0.00 C ATOM 679 O PRO A 44 17.308 2.386 -1.611 1.00 0.00 O ATOM 680 CB PRO A 44 17.729 4.337 -3.674 1.00 0.00 C ATOM 681 CG PRO A 44 18.357 5.694 -3.690 1.00 0.00 C ATOM 682 CD PRO A 44 18.193 6.277 -2.306 1.00 0.00 C ATOM 0 HA PRO A 44 15.666 4.686 -3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.452 3.567 -3.403 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.332 4.071 -4.654 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.412 5.627 -3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.879 6.330 -4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.117 6.206 -1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 44 17.925 7.333 -2.348 1.00 0.00 H new ATOM 690 N CYS A 45 15.174 2.911 -1.486 1.00 0.00 N ATOM 691 CA CYS A 45 14.838 1.694 -0.698 1.00 0.00 C ATOM 692 C CYS A 45 13.456 1.173 -1.117 1.00 0.00 C ATOM 693 O CYS A 45 12.734 1.822 -1.843 1.00 0.00 O ATOM 694 CB CYS A 45 14.863 2.190 0.760 1.00 0.00 C ATOM 695 SG CYS A 45 13.616 1.346 1.765 1.00 0.00 S ATOM 0 H CYS A 45 14.382 3.523 -1.685 1.00 0.00 H new ATOM 0 HA CYS A 45 15.524 0.860 -0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.852 2.021 1.187 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.685 3.265 0.783 1.00 0.00 H new ATOM 700 N LYS A 46 13.093 0.001 -0.678 1.00 0.00 N ATOM 701 CA LYS A 46 11.775 -0.573 -1.078 1.00 0.00 C ATOM 702 C LYS A 46 10.634 -0.060 -0.203 1.00 0.00 C ATOM 703 O LYS A 46 10.834 0.682 0.733 1.00 0.00 O ATOM 704 CB LYS A 46 11.944 -2.077 -0.903 1.00 0.00 C ATOM 705 CG LYS A 46 12.730 -2.647 -2.081 1.00 0.00 C ATOM 706 CD LYS A 46 12.706 -4.175 -2.014 1.00 0.00 C ATOM 707 CE LYS A 46 11.264 -4.656 -1.844 1.00 0.00 C ATOM 708 NZ LYS A 46 11.100 -4.870 -0.379 1.00 0.00 N ATOM 0 H LYS A 46 13.651 -0.586 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 46 11.512 -0.289 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.465 -2.288 0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.968 -2.557 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.296 -2.306 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.758 -2.287 -2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.136 -4.596 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.317 -4.523 -1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.555 -3.917 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.087 -5.577 -2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.024 -5.889 -0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.924 -4.481 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.237 -4.390 -0.052 1.00 0.00 H new ATOM 722 N ILE A 47 9.425 -0.437 -0.536 1.00 0.00 N ATOM 723 CA ILE A 47 8.243 0.041 0.236 1.00 0.00 C ATOM 724 C ILE A 47 7.403 -1.132 0.755 1.00 0.00 C ATOM 725 O ILE A 47 6.946 -1.957 -0.011 1.00 0.00 O ATOM 726 CB ILE A 47 7.444 0.845 -0.784 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.409 1.720 -1.584 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.419 1.724 -0.067 1.00 0.00 C ATOM 729 CD1 ILE A 47 9.107 2.691 -0.635 1.00 0.00 C ATOM 0 H ILE A 47 9.207 -1.059 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 47 8.532 0.619 1.114 1.00 0.00 H new ATOM 0 HB ILE A 47 6.915 0.168 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.145 1.099 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.868 2.270 -2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.852 2.295 -0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.739 1.095 0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.935 2.409 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.797 3.318 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.363 3.319 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.660 2.130 0.118 1.00 0.00 H new ATOM 741 N PRO A 48 7.216 -1.150 2.046 1.00 0.00 N ATOM 742 CA PRO A 48 6.406 -2.212 2.700 1.00 0.00 C ATOM 743 C PRO A 48 4.956 -2.175 2.207 1.00 0.00 C ATOM 744 O PRO A 48 4.404 -1.126 1.943 1.00 0.00 O ATOM 745 CB PRO A 48 6.460 -1.840 4.178 1.00 0.00 C ATOM 746 CG PRO A 48 7.663 -0.967 4.308 1.00 0.00 C ATOM 747 CD PRO A 48 7.743 -0.198 3.025 1.00 0.00 C ATOM 0 HA PRO A 48 6.780 -3.214 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.556 -1.316 4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.545 -2.727 4.806 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.570 -0.296 5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.563 -1.561 4.466 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.149 0.715 3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.766 0.097 2.793 1.00 0.00 H new ATOM 755 N PHE A 49 4.338 -3.315 2.088 1.00 0.00 N ATOM 756 CA PHE A 49 2.928 -3.362 1.622 1.00 0.00 C ATOM 757 C PHE A 49 2.233 -4.610 2.177 1.00 0.00 C ATOM 758 O PHE A 49 2.871 -5.594 2.494 1.00 0.00 O ATOM 759 CB PHE A 49 3.041 -3.456 0.111 1.00 0.00 C ATOM 760 CG PHE A 49 1.820 -2.828 -0.525 1.00 0.00 C ATOM 761 CD1 PHE A 49 1.781 -1.446 -0.746 1.00 0.00 C ATOM 762 CD2 PHE A 49 0.723 -3.623 -0.884 1.00 0.00 C ATOM 763 CE1 PHE A 49 0.651 -0.859 -1.325 1.00 0.00 C ATOM 764 CE2 PHE A 49 -0.409 -3.034 -1.462 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.444 -1.653 -1.683 1.00 0.00 C ATOM 0 H PHE A 49 4.754 -4.223 2.296 1.00 0.00 H new ATOM 0 HA PHE A 49 2.346 -2.500 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.944 -2.948 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.128 -4.499 -0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.625 -0.832 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.750 -4.689 -0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.624 0.207 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.255 -3.646 -1.737 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.316 -1.200 -2.130 1.00 0.00 H new ATOM 775 N GLU A 50 0.932 -4.584 2.291 1.00 0.00 N ATOM 776 CA GLU A 50 0.213 -5.780 2.818 1.00 0.00 C ATOM 777 C GLU A 50 -1.302 -5.603 2.664 1.00 0.00 C ATOM 778 O GLU A 50 -1.935 -4.892 3.419 1.00 0.00 O ATOM 779 CB GLU A 50 0.607 -5.859 4.295 1.00 0.00 C ATOM 780 CG GLU A 50 -0.382 -6.753 5.047 1.00 0.00 C ATOM 781 CD GLU A 50 0.048 -6.876 6.509 1.00 0.00 C ATOM 782 OE1 GLU A 50 1.240 -6.987 6.747 1.00 0.00 O ATOM 783 OE2 GLU A 50 -0.820 -6.857 7.366 1.00 0.00 O ATOM 0 H GLU A 50 0.339 -3.792 2.044 1.00 0.00 H new ATOM 0 HA GLU A 50 0.475 -6.691 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.617 -6.257 4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.615 -4.861 4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.386 -6.333 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.421 -7.739 4.584 1.00 0.00 H new ATOM 790 N ILE A 51 -1.886 -6.248 1.690 1.00 0.00 N ATOM 791 CA ILE A 51 -3.359 -6.121 1.486 1.00 0.00 C ATOM 792 C ILE A 51 -4.090 -7.265 2.195 1.00 0.00 C ATOM 793 O ILE A 51 -4.374 -8.291 1.607 1.00 0.00 O ATOM 794 CB ILE A 51 -3.561 -6.215 -0.027 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.758 -5.112 -0.719 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.045 -6.046 -0.356 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.798 -5.321 -2.234 1.00 0.00 C ATOM 0 H ILE A 51 -1.407 -6.857 1.027 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.753 -5.189 1.892 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.219 -7.189 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.170 -4.135 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.726 -5.124 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.189 -6.113 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.619 -6.832 0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.387 -5.073 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.225 -4.534 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.366 -6.291 -2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.831 -5.287 -2.579 1.00 0.00 H new ATOM 970 N GLY A 61 -4.986 -10.526 -2.112 1.00 0.00 N ATOM 971 CA GLY A 61 -4.646 -9.400 -3.028 1.00 0.00 C ATOM 972 C GLY A 61 -3.309 -9.684 -3.712 1.00 0.00 C ATOM 973 O GLY A 61 -2.762 -10.764 -3.603 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.430 -9.276 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.589 -8.466 -2.468 1.00 0.00 H new ATOM 977 N ARG A 62 -2.775 -8.723 -4.417 1.00 0.00 N ATOM 978 CA ARG A 62 -1.474 -8.937 -5.107 1.00 0.00 C ATOM 979 C ARG A 62 -0.821 -7.589 -5.384 1.00 0.00 C ATOM 980 O ARG A 62 -1.447 -6.555 -5.275 1.00 0.00 O ATOM 981 CB ARG A 62 -1.830 -9.630 -6.418 1.00 0.00 C ATOM 982 CG ARG A 62 -0.975 -10.888 -6.577 1.00 0.00 C ATOM 983 CD ARG A 62 -0.171 -10.797 -7.876 1.00 0.00 C ATOM 984 NE ARG A 62 -0.432 -12.084 -8.579 1.00 0.00 N ATOM 985 CZ ARG A 62 0.349 -12.469 -9.554 1.00 0.00 C ATOM 986 NH1 ARG A 62 1.362 -11.728 -9.917 1.00 0.00 N ATOM 987 NH2 ARG A 62 0.117 -13.597 -10.167 1.00 0.00 N ATOM 0 H ARG A 62 -3.186 -7.798 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.776 -9.527 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.888 -9.893 -6.428 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.662 -8.954 -7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.301 -10.993 -5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.611 -11.773 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.489 -9.946 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.892 -10.665 -7.674 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.222 -12.666 -8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.546 -10.846 -9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.969 -12.032 -10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.673 -14.177 -9.885 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.726 -13.898 -10.928 1.00 0.00 H new ATOM 1001 N LEU A 63 0.428 -7.581 -5.746 1.00 0.00 N ATOM 1002 CA LEU A 63 1.085 -6.282 -6.025 1.00 0.00 C ATOM 1003 C LEU A 63 1.650 -6.253 -7.445 1.00 0.00 C ATOM 1004 O LEU A 63 2.483 -7.057 -7.813 1.00 0.00 O ATOM 1005 CB LEU A 63 2.205 -6.159 -4.992 1.00 0.00 C ATOM 1006 CG LEU A 63 1.678 -5.426 -3.759 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.773 -5.365 -2.700 1.00 0.00 C ATOM 1008 CD2 LEU A 63 1.271 -4.001 -4.136 1.00 0.00 C ATOM 0 H LEU A 63 1.015 -8.407 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 63 0.381 -5.452 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.568 -7.148 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.050 -5.617 -5.418 1.00 0.00 H new ATOM 0 HG LEU A 63 0.812 -5.961 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.399 -4.842 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.068 -6.377 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.636 -4.832 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.896 -3.484 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.136 -3.467 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.490 -4.035 -4.895 1.00 0.00 H new ATOM 1020 N ILE A 64 1.223 -5.309 -8.235 1.00 0.00 N ATOM 1021 CA ILE A 64 1.754 -5.192 -9.618 1.00 0.00 C ATOM 1022 C ILE A 64 3.059 -4.415 -9.523 1.00 0.00 C ATOM 1023 O ILE A 64 3.976 -4.580 -10.304 1.00 0.00 O ATOM 1024 CB ILE A 64 0.702 -4.394 -10.390 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.488 -5.295 -10.738 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.320 -3.854 -11.680 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -0.994 -6.004 -9.480 1.00 0.00 C ATOM 0 H ILE A 64 0.525 -4.610 -7.980 1.00 0.00 H new ATOM 0 HA ILE A 64 1.942 -6.148 -10.107 1.00 0.00 H new ATOM 0 HB ILE A 64 0.357 -3.566 -9.771 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.289 -4.700 -11.177 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.191 -6.031 -11.485 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.572 -3.285 -12.232 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.162 -3.206 -11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.668 -4.686 -12.293 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.840 -6.642 -9.737 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.194 -6.614 -9.059 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.309 -5.262 -8.746 1.00 0.00 H new ATOM 1039 N THR A 65 3.133 -3.583 -8.526 1.00 0.00 N ATOM 1040 CA THR A 65 4.347 -2.775 -8.271 1.00 0.00 C ATOM 1041 C THR A 65 5.170 -3.507 -7.209 1.00 0.00 C ATOM 1042 O THR A 65 5.815 -2.923 -6.361 1.00 0.00 O ATOM 1043 CB THR A 65 3.767 -1.450 -7.764 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.431 -0.632 -8.875 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.761 -0.709 -6.878 1.00 0.00 C ATOM 0 H THR A 65 2.377 -3.427 -7.859 1.00 0.00 H new ATOM 0 HA THR A 65 5.007 -2.615 -9.123 1.00 0.00 H new ATOM 0 HB THR A 65 2.880 -1.671 -7.170 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.521 0.311 -8.626 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.317 0.226 -6.536 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.012 -1.328 -6.017 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.666 -0.494 -7.447 1.00 0.00 H new ATOM 1053 N VAL A 66 5.124 -4.809 -7.265 1.00 0.00 N ATOM 1054 CA VAL A 66 5.860 -5.655 -6.287 1.00 0.00 C ATOM 1055 C VAL A 66 7.200 -5.025 -5.931 1.00 0.00 C ATOM 1056 O VAL A 66 7.868 -4.439 -6.761 1.00 0.00 O ATOM 1057 CB VAL A 66 6.064 -6.997 -6.998 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.183 -7.785 -6.312 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.766 -7.805 -6.936 1.00 0.00 C ATOM 0 H VAL A 66 4.595 -5.332 -7.963 1.00 0.00 H new ATOM 0 HA VAL A 66 5.313 -5.767 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 66 6.337 -6.815 -8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.323 -8.738 -6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.109 -7.212 -6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.915 -7.967 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.908 -8.760 -7.441 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.497 -7.981 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.968 -7.249 -7.428 1.00 0.00 H new ATOM 1069 N ASN A 67 7.598 -5.143 -4.700 1.00 0.00 N ATOM 1070 CA ASN A 67 8.893 -4.555 -4.284 1.00 0.00 C ATOM 1071 C ASN A 67 8.984 -3.097 -4.751 1.00 0.00 C ATOM 1072 O ASN A 67 9.875 -2.740 -5.494 1.00 0.00 O ATOM 1073 CB ASN A 67 9.944 -5.422 -4.982 1.00 0.00 C ATOM 1074 CG ASN A 67 11.348 -4.916 -4.649 1.00 0.00 C ATOM 1075 OD1 ASN A 67 11.520 -3.783 -4.252 1.00 0.00 O ATOM 1076 ND2 ASN A 67 12.368 -5.718 -4.798 1.00 0.00 N ATOM 0 H ASN A 67 7.081 -5.622 -3.963 1.00 0.00 H new ATOM 0 HA ASN A 67 9.026 -4.542 -3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.839 -6.460 -4.666 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.787 -5.400 -6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.310 -5.392 -4.580 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.223 -6.671 -5.132 1.00 0.00 H new ATOM 1083 N PRO A 68 8.057 -2.296 -4.291 1.00 0.00 N ATOM 1084 CA PRO A 68 8.052 -0.863 -4.663 1.00 0.00 C ATOM 1085 C PRO A 68 9.247 -0.184 -4.007 1.00 0.00 C ATOM 1086 O PRO A 68 9.743 -0.655 -3.005 1.00 0.00 O ATOM 1087 CB PRO A 68 6.735 -0.319 -4.103 1.00 0.00 C ATOM 1088 CG PRO A 68 5.977 -1.504 -3.577 1.00 0.00 C ATOM 1089 CD PRO A 68 6.952 -2.637 -3.398 1.00 0.00 C ATOM 0 HA PRO A 68 8.126 -0.692 -5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.920 0.407 -3.311 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.165 0.194 -4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.498 -1.260 -2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.185 -1.788 -4.270 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.285 -2.717 -2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.505 -3.595 -3.664 1.00 0.00 H new ATOM 1097 N ILE A 69 9.728 0.899 -4.558 1.00 0.00 N ATOM 1098 CA ILE A 69 10.916 1.558 -3.946 1.00 0.00 C ATOM 1099 C ILE A 69 10.837 3.081 -4.025 1.00 0.00 C ATOM 1100 O ILE A 69 10.353 3.648 -4.984 1.00 0.00 O ATOM 1101 CB ILE A 69 12.098 1.073 -4.786 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.219 -0.461 -4.658 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.381 1.785 -4.321 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.639 -0.875 -4.241 1.00 0.00 C ATOM 0 H ILE A 69 9.355 1.350 -5.394 1.00 0.00 H new ATOM 0 HA ILE A 69 10.995 1.309 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 69 11.942 1.314 -5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.501 -0.825 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.966 -0.929 -5.609 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.225 1.441 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.265 2.862 -4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.563 1.557 -3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.692 -1.961 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.353 -0.532 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.881 -0.426 -3.277 1.00 0.00 H new ATOM 1116 N VAL A 70 11.365 3.740 -3.033 1.00 0.00 N ATOM 1117 CA VAL A 70 11.394 5.227 -3.041 1.00 0.00 C ATOM 1118 C VAL A 70 12.763 5.657 -3.552 1.00 0.00 C ATOM 1119 O VAL A 70 13.724 4.933 -3.422 1.00 0.00 O ATOM 1120 CB VAL A 70 11.214 5.641 -1.577 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.492 7.139 -1.417 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.781 5.342 -1.136 1.00 0.00 C ATOM 0 H VAL A 70 11.782 3.307 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 70 10.627 5.677 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 70 11.915 5.079 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.361 7.424 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.515 7.354 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.798 7.706 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.652 5.636 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.084 5.901 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.584 4.275 -1.239 1.00 0.00 H new ATOM 1132 N THR A 71 12.875 6.816 -4.119 1.00 0.00 N ATOM 1133 CA THR A 71 14.210 7.259 -4.611 1.00 0.00 C ATOM 1134 C THR A 71 14.712 8.382 -3.716 1.00 0.00 C ATOM 1135 O THR A 71 15.895 8.642 -3.611 1.00 0.00 O ATOM 1136 CB THR A 71 13.982 7.747 -6.039 1.00 0.00 C ATOM 1137 OG1 THR A 71 12.919 7.011 -6.626 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.263 7.538 -6.849 1.00 0.00 C ATOM 0 H THR A 71 12.111 7.475 -4.265 1.00 0.00 H new ATOM 0 HA THR A 71 14.957 6.465 -4.593 1.00 0.00 H new ATOM 0 HB THR A 71 13.723 8.806 -6.031 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.771 7.325 -7.542 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.108 7.884 -7.871 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.077 8.102 -6.394 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.518 6.478 -6.860 1.00 0.00 H new ATOM 1146 N GLU A 72 13.806 9.025 -3.047 1.00 0.00 N ATOM 1147 CA GLU A 72 14.177 10.116 -2.115 1.00 0.00 C ATOM 1148 C GLU A 72 13.310 9.983 -0.869 1.00 0.00 C ATOM 1149 O GLU A 72 12.175 9.556 -0.939 1.00 0.00 O ATOM 1150 CB GLU A 72 13.877 11.417 -2.862 1.00 0.00 C ATOM 1151 CG GLU A 72 15.010 11.711 -3.847 1.00 0.00 C ATOM 1152 CD GLU A 72 14.762 13.061 -4.522 1.00 0.00 C ATOM 1153 OE1 GLU A 72 15.102 14.070 -3.927 1.00 0.00 O ATOM 1154 OE2 GLU A 72 14.235 13.062 -5.623 1.00 0.00 O ATOM 0 H GLU A 72 12.805 8.837 -3.108 1.00 0.00 H new ATOM 0 HA GLU A 72 15.222 10.088 -1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.930 11.333 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.773 12.240 -2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.966 11.724 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.068 10.922 -4.597 1.00 0.00 H new ATOM 1161 N LYS A 73 13.823 10.320 0.272 1.00 0.00 N ATOM 1162 CA LYS A 73 13.011 10.178 1.510 1.00 0.00 C ATOM 1163 C LYS A 73 11.669 10.897 1.369 1.00 0.00 C ATOM 1164 O LYS A 73 10.773 10.691 2.154 1.00 0.00 O ATOM 1165 CB LYS A 73 13.851 10.807 2.620 1.00 0.00 C ATOM 1166 CG LYS A 73 14.509 9.704 3.452 1.00 0.00 C ATOM 1167 CD LYS A 73 15.989 10.033 3.656 1.00 0.00 C ATOM 1168 CE LYS A 73 16.210 10.531 5.086 1.00 0.00 C ATOM 1169 NZ LYS A 73 17.653 10.283 5.361 1.00 0.00 N ATOM 0 H LYS A 73 14.765 10.687 0.406 1.00 0.00 H new ATOM 0 HA LYS A 73 12.778 9.134 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.614 11.456 2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.223 11.431 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.009 9.614 4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.405 8.743 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.598 9.148 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.305 10.794 2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.967 11.590 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.576 9.996 5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.882 10.599 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.853 9.266 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.232 10.810 4.677 1.00 0.00 H new ATOM 1183 N ASP A 74 11.508 11.732 0.386 1.00 0.00 N ATOM 1184 CA ASP A 74 10.200 12.429 0.239 1.00 0.00 C ATOM 1185 C ASP A 74 9.643 12.238 -1.169 1.00 0.00 C ATOM 1186 O ASP A 74 8.635 12.813 -1.527 1.00 0.00 O ATOM 1187 CB ASP A 74 10.494 13.903 0.515 1.00 0.00 C ATOM 1188 CG ASP A 74 9.202 14.617 0.914 1.00 0.00 C ATOM 1189 OD1 ASP A 74 8.161 14.250 0.395 1.00 0.00 O ATOM 1190 OD2 ASP A 74 9.275 15.519 1.733 1.00 0.00 O ATOM 0 H ASP A 74 12.213 11.962 -0.315 1.00 0.00 H new ATOM 0 HA ASP A 74 9.449 12.034 0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.233 13.994 1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.922 14.371 -0.372 1.00 0.00 H new ATOM 1195 N SER A 75 10.270 11.419 -1.968 1.00 0.00 N ATOM 1196 CA SER A 75 9.744 11.184 -3.341 1.00 0.00 C ATOM 1197 C SER A 75 8.481 10.330 -3.240 1.00 0.00 C ATOM 1198 O SER A 75 8.542 9.180 -2.853 1.00 0.00 O ATOM 1199 CB SER A 75 10.850 10.428 -4.072 1.00 0.00 C ATOM 1200 OG SER A 75 10.281 9.343 -4.792 1.00 0.00 O ATOM 0 H SER A 75 11.119 10.905 -1.731 1.00 0.00 H new ATOM 0 HA SER A 75 9.486 12.105 -3.864 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.374 11.097 -4.754 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.587 10.059 -3.359 1.00 0.00 H new ATOM 0 HG SER A 75 10.989 8.856 -5.264 1.00 0.00 H new ATOM 1206 N PRO A 76 7.373 10.930 -3.569 1.00 0.00 N ATOM 1207 CA PRO A 76 6.079 10.215 -3.482 1.00 0.00 C ATOM 1208 C PRO A 76 6.114 8.927 -4.317 1.00 0.00 C ATOM 1209 O PRO A 76 6.428 8.949 -5.489 1.00 0.00 O ATOM 1210 CB PRO A 76 5.067 11.206 -4.059 1.00 0.00 C ATOM 1211 CG PRO A 76 5.736 12.544 -3.998 1.00 0.00 C ATOM 1212 CD PRO A 76 7.220 12.306 -4.049 1.00 0.00 C ATOM 0 HA PRO A 76 5.835 9.912 -2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.804 10.946 -5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.142 11.203 -3.482 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.419 13.170 -4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.462 13.069 -3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.609 12.422 -5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.760 13.012 -3.418 1.00 0.00 H new ATOM 1220 N VAL A 77 5.785 7.806 -3.726 1.00 0.00 N ATOM 1221 CA VAL A 77 5.793 6.528 -4.507 1.00 0.00 C ATOM 1222 C VAL A 77 4.363 6.084 -4.820 1.00 0.00 C ATOM 1223 O VAL A 77 3.422 6.476 -4.162 1.00 0.00 O ATOM 1224 CB VAL A 77 6.485 5.496 -3.627 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.314 4.124 -4.269 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.976 5.819 -3.539 1.00 0.00 C ATOM 0 H VAL A 77 5.514 7.718 -2.747 1.00 0.00 H new ATOM 0 HA VAL A 77 6.310 6.650 -5.459 1.00 0.00 H new ATOM 0 HB VAL A 77 6.051 5.508 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.804 3.370 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.252 3.891 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.763 4.128 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.472 5.080 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.413 5.796 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.108 6.811 -3.108 1.00 0.00 H new ATOM 1236 N ASN A 78 4.198 5.264 -5.822 1.00 0.00 N ATOM 1237 CA ASN A 78 2.832 4.781 -6.193 1.00 0.00 C ATOM 1238 C ASN A 78 2.791 3.255 -6.111 1.00 0.00 C ATOM 1239 O ASN A 78 3.659 2.590 -6.642 1.00 0.00 O ATOM 1240 CB ASN A 78 2.605 5.226 -7.643 1.00 0.00 C ATOM 1241 CG ASN A 78 3.935 5.278 -8.406 1.00 0.00 C ATOM 1242 OD1 ASN A 78 4.474 6.341 -8.637 1.00 0.00 O ATOM 1243 ND2 ASN A 78 4.486 4.166 -8.809 1.00 0.00 N ATOM 0 H ASN A 78 4.954 4.904 -6.405 1.00 0.00 H new ATOM 0 HA ASN A 78 2.067 5.180 -5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.922 4.536 -8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.132 6.208 -7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.370 4.190 -9.318 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.033 3.273 -8.615 1.00 0.00 H new ATOM 1250 N ILE A 79 1.811 2.669 -5.466 1.00 0.00 N ATOM 1251 CA ILE A 79 1.812 1.182 -5.414 1.00 0.00 C ATOM 1252 C ILE A 79 0.620 0.592 -6.158 1.00 0.00 C ATOM 1253 O ILE A 79 -0.522 0.753 -5.777 1.00 0.00 O ATOM 1254 CB ILE A 79 1.761 0.812 -3.945 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.915 1.508 -3.215 1.00 0.00 C ATOM 1256 CG2 ILE A 79 1.905 -0.705 -3.830 1.00 0.00 C ATOM 1257 CD1 ILE A 79 4.237 0.824 -3.564 1.00 0.00 C ATOM 0 H ILE A 79 1.040 3.138 -4.991 1.00 0.00 H new ATOM 0 HA ILE A 79 2.701 0.781 -5.900 1.00 0.00 H new ATOM 0 HB ILE A 79 0.818 1.127 -3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.954 2.560 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.750 1.473 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.871 -0.995 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.090 -1.190 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.857 -1.014 -4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.054 1.323 -3.042 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.197 -0.222 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.404 0.883 -4.640 1.00 0.00 H new ATOM 1269 N GLU A 80 0.904 -0.114 -7.208 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.164 -0.766 -8.009 1.00 0.00 C ATOM 1271 C GLU A 80 -0.348 -2.206 -7.525 1.00 0.00 C ATOM 1272 O GLU A 80 0.494 -3.050 -7.750 1.00 0.00 O ATOM 1273 CB GLU A 80 0.358 -0.746 -9.446 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.656 -1.427 -10.366 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.248 -0.398 -11.330 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -0.976 0.777 -11.154 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -1.964 -0.804 -12.230 1.00 0.00 O ATOM 0 H GLU A 80 1.851 -0.271 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.128 -0.264 -7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.526 0.281 -9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.318 -1.259 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.173 -2.228 -10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.449 -1.884 -9.774 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.427 -2.499 -6.850 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.619 -3.893 -6.355 1.00 0.00 C ATOM 1286 C ALA A 81 -2.996 -4.429 -6.742 1.00 0.00 C ATOM 1287 O ALA A 81 -3.924 -3.687 -6.979 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.465 -3.809 -4.831 1.00 0.00 C ATOM 0 H ALA A 81 -2.175 -1.844 -6.622 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.896 -4.580 -6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.594 -4.801 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.472 -3.432 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.219 -3.135 -4.426 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.121 -5.726 -6.819 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.422 -6.337 -7.201 1.00 0.00 C ATOM 1296 C GLU A 82 -5.207 -6.735 -5.947 1.00 0.00 C ATOM 1297 O GLU A 82 -4.830 -7.652 -5.244 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.032 -7.573 -8.007 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.293 -8.298 -8.479 1.00 0.00 C ATOM 1300 CD GLU A 82 -5.599 -7.904 -9.925 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -6.049 -6.788 -10.131 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -5.379 -8.723 -10.801 1.00 0.00 O ATOM 0 H GLU A 82 -2.371 -6.392 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.060 -5.657 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.425 -7.283 -8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.424 -8.240 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.153 -9.377 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.135 -8.042 -7.835 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.277 -6.026 -5.711 1.00 0.00 N ATOM 1310 CA PRO A 83 -7.130 -6.305 -4.529 1.00 0.00 C ATOM 1311 C PRO A 83 -7.897 -7.615 -4.719 1.00 0.00 C ATOM 1312 O PRO A 83 -8.302 -7.943 -5.817 1.00 0.00 O ATOM 1313 CB PRO A 83 -8.091 -5.120 -4.489 1.00 0.00 C ATOM 1314 CG PRO A 83 -8.124 -4.596 -5.889 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.789 -4.911 -6.513 1.00 0.00 C ATOM 0 HA PRO A 83 -6.557 -6.416 -3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.083 -5.429 -4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.747 -4.357 -3.791 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.932 -5.060 -6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.307 -3.522 -5.894 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.894 -5.189 -7.562 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.119 -4.052 -6.477 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.076 -8.318 -3.636 1.00 0.00 N ATOM 1324 CA PRO A 84 -8.812 -9.606 -3.678 1.00 0.00 C ATOM 1325 C PRO A 84 -10.251 -9.374 -4.145 1.00 0.00 C ATOM 1326 O PRO A 84 -10.618 -9.713 -5.253 1.00 0.00 O ATOM 1327 CB PRO A 84 -8.782 -10.104 -2.232 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.395 -8.918 -1.401 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.617 -7.984 -2.287 1.00 0.00 C ATOM 0 HA PRO A 84 -8.372 -10.324 -4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.755 -10.492 -1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.065 -10.916 -2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.281 -8.422 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.793 -9.228 -0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.818 -6.941 -2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.543 -8.135 -2.181 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.230 -3.661 2.893 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.414 -2.559 3.478 1.00 0.00 C ATOM 1389 C TYR A 89 -5.952 -2.696 3.047 1.00 0.00 C ATOM 1390 O TYR A 89 -5.219 -3.520 3.559 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.541 -2.724 4.994 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.986 -2.977 5.355 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.510 -4.273 5.282 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.801 -1.915 5.766 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -10.849 -4.507 5.617 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -11.140 -2.149 6.102 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.664 -3.445 6.028 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.983 -3.676 6.359 1.00 0.00 O ATOM 0 HA TYR A 89 -7.754 -1.578 3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.920 -3.553 5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.181 -1.828 5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.881 -5.093 4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.397 -0.915 5.824 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.253 -5.507 5.558 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.769 -1.330 6.418 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.406 -2.833 6.624 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.521 -1.895 2.113 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.105 -1.979 1.657 1.00 0.00 C ATOM 1410 C ILE A 90 -3.184 -1.371 2.716 1.00 0.00 C ATOM 1411 O ILE A 90 -3.321 -0.221 3.084 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.055 -1.161 0.365 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.671 -1.973 -0.776 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.601 -0.828 0.025 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -6.047 -1.404 -1.124 1.00 0.00 C ATOM 0 H ILE A 90 -6.087 -1.187 1.646 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.777 -3.006 1.497 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.617 -0.237 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.021 -1.942 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.762 -3.019 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.567 -0.245 -0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.161 -0.250 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.038 -1.752 -0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.485 -1.983 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.695 -1.459 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.943 -0.364 -1.434 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.251 -2.133 3.215 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.330 -1.593 4.254 1.00 0.00 C ATOM 1429 C ILE A 91 -0.033 -1.105 3.607 1.00 0.00 C ATOM 1430 O ILE A 91 0.425 -1.650 2.622 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.057 -2.766 5.192 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.325 -3.090 5.984 1.00 0.00 C ATOM 1433 CG2 ILE A 91 0.065 -2.392 6.159 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.378 -4.593 6.270 1.00 0.00 C ATOM 0 H ILE A 91 -2.086 -3.104 2.949 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.758 -0.742 4.784 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.760 -3.638 4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.335 -2.530 6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.207 -2.785 5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.261 -3.229 6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.968 -2.159 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.233 -1.521 6.743 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.281 -4.824 6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.388 -5.142 5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.503 -4.884 6.851 1.00 0.00 H new ATOM 1446 N ILE A 92 0.560 -0.078 4.151 1.00 0.00 N ATOM 1447 CA ILE A 92 1.824 0.451 3.563 1.00 0.00 C ATOM 1448 C ILE A 92 2.841 0.735 4.672 1.00 0.00 C ATOM 1449 O ILE A 92 2.495 1.222 5.724 1.00 0.00 O ATOM 1450 CB ILE A 92 1.401 1.750 2.863 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.037 1.449 1.411 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.540 2.775 2.893 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.800 2.764 0.671 1.00 0.00 C ATOM 0 H ILE A 92 0.224 0.418 4.977 1.00 0.00 H new ATOM 0 HA ILE A 92 2.299 -0.250 2.877 1.00 0.00 H new ATOM 0 HB ILE A 92 0.540 2.163 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.838 0.887 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.143 0.828 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.220 3.689 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.800 3.000 3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.411 2.366 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.540 2.556 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.016 3.308 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.707 3.368 0.703 1.00 0.00 H new ATOM 1465 N GLY A 93 4.093 0.448 4.447 1.00 0.00 N ATOM 1466 CA GLY A 93 5.099 0.727 5.502 1.00 0.00 C ATOM 1467 C GLY A 93 5.063 -0.387 6.539 1.00 0.00 C ATOM 1468 O GLY A 93 4.637 -1.493 6.267 1.00 0.00 O ATOM 0 H GLY A 93 4.458 0.037 3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.094 0.798 5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.890 1.687 5.975 1.00 0.00 H new ATOM 1472 N VAL A 94 5.505 -0.114 7.727 1.00 0.00 N ATOM 1473 CA VAL A 94 5.500 -1.176 8.773 1.00 0.00 C ATOM 1474 C VAL A 94 4.876 -0.657 10.065 1.00 0.00 C ATOM 1475 O VAL A 94 4.846 0.525 10.307 1.00 0.00 O ATOM 1476 CB VAL A 94 6.973 -1.531 8.981 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.371 -2.589 7.952 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.842 -0.282 8.784 1.00 0.00 C ATOM 0 H VAL A 94 5.869 0.792 8.023 1.00 0.00 H new ATOM 0 HA VAL A 94 4.911 -2.043 8.476 1.00 0.00 H new ATOM 0 HB VAL A 94 7.120 -1.913 9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.420 -2.852 8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.753 -3.477 8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.224 -2.193 6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.890 -0.541 8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.703 0.102 7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.550 0.482 9.505 1.00 0.00 H new ATOM 1488 N GLU A 95 4.380 -1.544 10.890 1.00 0.00 N ATOM 1489 CA GLU A 95 3.750 -1.131 12.184 1.00 0.00 C ATOM 1490 C GLU A 95 4.387 0.153 12.738 1.00 0.00 C ATOM 1491 O GLU A 95 3.692 1.110 13.019 1.00 0.00 O ATOM 1492 CB GLU A 95 4.003 -2.301 13.134 1.00 0.00 C ATOM 1493 CG GLU A 95 2.717 -3.113 13.300 1.00 0.00 C ATOM 1494 CD GLU A 95 2.747 -3.849 14.641 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.718 -4.545 14.891 1.00 0.00 O ATOM 1496 OE2 GLU A 95 1.799 -3.704 15.395 1.00 0.00 O ATOM 0 H GLU A 95 4.384 -2.550 10.721 1.00 0.00 H new ATOM 0 HA GLU A 95 2.689 -0.913 12.059 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.798 -2.936 12.742 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.339 -1.930 14.102 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.850 -2.454 13.254 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.618 -3.828 12.483 1.00 0.00 H new ATOM 1503 N PRO A 96 5.689 0.138 12.881 1.00 0.00 N ATOM 1504 CA PRO A 96 6.411 1.323 13.409 1.00 0.00 C ATOM 1505 C PRO A 96 5.970 2.605 12.690 1.00 0.00 C ATOM 1506 O PRO A 96 6.142 3.699 13.191 1.00 0.00 O ATOM 1507 CB PRO A 96 7.888 1.018 13.129 1.00 0.00 C ATOM 1508 CG PRO A 96 7.908 -0.243 12.320 1.00 0.00 C ATOM 1509 CD PRO A 96 6.613 -0.955 12.576 1.00 0.00 C ATOM 0 HA PRO A 96 6.212 1.493 14.467 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.358 1.837 12.585 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.443 0.893 14.059 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.020 -0.018 11.259 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.754 -0.869 12.604 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.288 -1.527 11.707 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.696 -1.657 13.406 1.00 0.00 H new ATOM 1517 N GLY A 97 5.407 2.481 11.523 1.00 0.00 N ATOM 1518 CA GLY A 97 4.958 3.685 10.769 1.00 0.00 C ATOM 1519 C GLY A 97 4.267 3.237 9.480 1.00 0.00 C ATOM 1520 O GLY A 97 4.535 3.736 8.406 1.00 0.00 O ATOM 0 H GLY A 97 5.237 1.591 11.054 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.273 4.276 11.377 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.811 4.323 10.537 1.00 0.00 H new ATOM 1524 N GLN A 98 3.394 2.280 9.571 1.00 0.00 N ATOM 1525 CA GLN A 98 2.712 1.780 8.346 1.00 0.00 C ATOM 1526 C GLN A 98 1.354 2.472 8.146 1.00 0.00 C ATOM 1527 O GLN A 98 0.724 2.920 9.083 1.00 0.00 O ATOM 1528 CB GLN A 98 2.566 0.267 8.599 1.00 0.00 C ATOM 1529 CG GLN A 98 1.185 -0.247 8.169 1.00 0.00 C ATOM 1530 CD GLN A 98 0.986 -1.666 8.706 1.00 0.00 C ATOM 1531 OE1 GLN A 98 -0.087 -2.011 9.161 1.00 0.00 O ATOM 1532 NE2 GLN A 98 1.981 -2.508 8.671 1.00 0.00 N ATOM 0 H GLN A 98 3.121 1.820 10.440 1.00 0.00 H new ATOM 0 HA GLN A 98 3.267 1.989 7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.341 -0.270 8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.719 0.058 9.658 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.404 0.411 8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.104 -0.242 7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.881 -2.218 8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.859 -3.457 9.026 1.00 0.00 H new ATOM 1541 N LEU A 99 0.904 2.549 6.918 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.407 3.196 6.631 1.00 0.00 C ATOM 1543 C LEU A 99 -1.474 2.133 6.355 1.00 0.00 C ATOM 1544 O LEU A 99 -1.216 0.946 6.417 1.00 0.00 O ATOM 1545 CB LEU A 99 -0.170 4.027 5.372 1.00 0.00 C ATOM 1546 CG LEU A 99 0.477 5.358 5.743 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.879 6.090 4.464 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.523 6.211 6.525 1.00 0.00 C ATOM 0 H LEU A 99 1.394 2.188 6.099 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.756 3.799 7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.472 3.481 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.115 4.203 4.858 1.00 0.00 H new ATOM 0 HG LEU A 99 1.359 5.180 6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.342 7.043 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.588 5.481 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.006 6.270 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.061 7.162 6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.404 6.395 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.818 5.685 7.433 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.666 2.556 6.038 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.759 1.583 5.747 1.00 0.00 C ATOM 1562 C LYS A 100 -4.828 2.239 4.869 1.00 0.00 C ATOM 1563 O LYS A 100 -5.213 3.371 5.084 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.335 1.213 7.109 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.137 -0.282 7.358 1.00 0.00 C ATOM 1566 CD LYS A 100 -4.311 -0.580 8.849 1.00 0.00 C ATOM 1567 CE LYS A 100 -5.758 -0.999 9.120 1.00 0.00 C ATOM 1568 NZ LYS A 100 -6.558 0.245 8.941 1.00 0.00 N ATOM 0 H LYS A 100 -2.932 3.538 5.967 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.400 0.706 5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.844 1.791 7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.396 1.461 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.857 -0.857 6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.144 -0.588 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.628 -1.373 9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.060 0.302 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.080 -1.778 8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.871 -1.400 10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.386 0.219 9.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.972 1.071 9.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.875 0.314 7.953 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.311 1.539 3.878 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.353 2.128 2.988 1.00 0.00 C ATOM 1584 C LEU A 101 -7.417 1.080 2.648 1.00 0.00 C ATOM 1585 O LEU A 101 -7.126 0.049 2.073 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.598 2.555 1.729 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.343 3.335 2.127 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.153 2.377 2.211 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.056 4.409 1.076 1.00 0.00 C ATOM 0 H LEU A 101 -5.030 0.586 3.646 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.873 2.963 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.324 1.679 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.239 3.173 1.100 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.501 3.807 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.259 2.932 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.356 1.609 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.996 1.906 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.162 4.965 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.898 3.936 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.903 5.092 1.013 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.648 1.337 2.999 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.731 0.356 2.696 1.00 0.00 C ATOM 1603 C ASN A 102 -10.297 0.605 1.296 1.00 0.00 C ATOM 1604 O ASN A 102 -10.641 1.715 0.943 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.802 0.609 3.758 1.00 0.00 C ATOM 1606 CG ASN A 102 -12.001 -0.304 3.501 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -11.839 -1.600 3.535 1.00 0.00 O flip ATOM 1608 ND2 ASN A 102 -13.098 0.163 3.267 1.00 0.00 N flip ATOM 0 H ASN A 102 -8.951 2.183 3.482 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.371 -0.673 2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.395 0.422 4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -11.114 1.653 3.733 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -13.226 1.175 3.240 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -13.890 -0.456 3.098 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.398 -0.421 0.496 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.943 -0.244 -0.879 1.00 0.00 C ATOM 1617 C TRP A 103 -12.202 -1.097 -1.059 1.00 0.00 C ATOM 1618 O TRP A 103 -12.171 -2.303 -0.917 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.831 -0.723 -1.812 1.00 0.00 C ATOM 1620 CG TRP A 103 -10.011 -0.109 -3.162 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.261 -0.797 -4.300 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -9.961 1.299 -3.537 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.367 0.098 -5.350 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.189 1.401 -4.930 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -9.742 2.484 -2.813 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.200 2.636 -5.580 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -9.751 3.729 -3.464 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -9.981 3.804 -4.845 1.00 0.00 C ATOM 0 H TRP A 103 -10.126 -1.375 0.736 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.226 0.789 -1.083 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.858 -0.450 -1.404 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.851 -1.810 -1.890 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.361 -1.870 -4.376 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.554 -0.172 -6.316 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.566 2.437 -1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.377 2.689 -6.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -9.580 4.633 -2.898 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -9.989 4.764 -5.340 1.00 0.00 H new