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 -35:sc= 0.779 USER MOD Set 1.2: A 31 THR OG1 : rot 82:sc= 0.816 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.075) USER MOD Single : A 37 GLN : amide:sc= -6.16! C(o=-6.2!,f=-5.7!) USER MOD Single : A 38 TYR OH : rot 142:sc= -2.4! USER MOD Single : A 43 SER OG : rot 180:sc= -3.35! USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= -0.248 (180deg=-0.518) USER MOD Single : A 65 THR OG1 : rot -170:sc= 0.0154 USER MOD Single : A 67 ASN :FLIP amide:sc= -4.6! C(o=-5.7!,f=-4.6!) 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 170:sc= -0.0906 USER MOD Single : A 78 ASN : amide:sc= -1.41 K(o=-1.4,f=-7.2!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= -5.57! C(o=-6.4!,f=-5.6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.0771 F(o=-1.8,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 11.984 -0.318 3.274 1.00 0.00 N ATOM 216 CA CYS A 14 11.748 0.931 4.045 1.00 0.00 C ATOM 217 C CYS A 14 10.902 0.618 5.282 1.00 0.00 C ATOM 218 O CYS A 14 9.702 0.447 5.200 1.00 0.00 O ATOM 219 CB CYS A 14 11.007 1.863 3.081 1.00 0.00 C ATOM 220 SG CYS A 14 12.195 2.630 1.943 1.00 0.00 S ATOM 0 HA CYS A 14 12.670 1.389 4.402 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.260 1.302 2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.475 2.632 3.640 1.00 0.00 H new ATOM 225 N THR A 15 11.526 0.517 6.424 1.00 0.00 N ATOM 226 CA THR A 15 10.768 0.187 7.665 1.00 0.00 C ATOM 227 C THR A 15 10.319 1.451 8.403 1.00 0.00 C ATOM 228 O THR A 15 9.571 1.379 9.357 1.00 0.00 O ATOM 229 CB THR A 15 11.748 -0.608 8.521 1.00 0.00 C ATOM 230 OG1 THR A 15 11.049 -1.218 9.598 1.00 0.00 O ATOM 231 CG2 THR A 15 12.811 0.336 9.068 1.00 0.00 C ATOM 0 H THR A 15 12.529 0.649 6.552 1.00 0.00 H new ATOM 0 HA THR A 15 9.858 -0.370 7.441 1.00 0.00 H new ATOM 0 HB THR A 15 12.222 -1.382 7.917 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.678 -1.730 10.148 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.516 -0.226 9.681 1.00 0.00 H new ATOM 0 HG22 THR A 15 13.343 0.804 8.240 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.336 1.107 9.675 1.00 0.00 H new ATOM 239 N GLY A 16 10.761 2.608 7.986 1.00 0.00 N ATOM 240 CA GLY A 16 10.335 3.848 8.693 1.00 0.00 C ATOM 241 C GLY A 16 8.810 3.979 8.611 1.00 0.00 C ATOM 242 O GLY A 16 8.080 3.143 9.105 1.00 0.00 O ATOM 0 H GLY A 16 11.391 2.746 7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.653 3.814 9.735 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.811 4.719 8.243 1.00 0.00 H new ATOM 246 N LYS A 17 8.318 5.022 7.996 1.00 0.00 N ATOM 247 CA LYS A 17 6.841 5.196 7.893 1.00 0.00 C ATOM 248 C LYS A 17 6.466 5.732 6.508 1.00 0.00 C ATOM 249 O LYS A 17 7.322 6.041 5.703 1.00 0.00 O ATOM 250 CB LYS A 17 6.503 6.223 8.970 1.00 0.00 C ATOM 251 CG LYS A 17 5.730 5.545 10.099 1.00 0.00 C ATOM 252 CD LYS A 17 6.396 5.867 11.438 1.00 0.00 C ATOM 253 CE LYS A 17 7.817 5.295 11.454 1.00 0.00 C ATOM 254 NZ LYS A 17 8.366 5.666 12.787 1.00 0.00 N ATOM 0 H LYS A 17 8.874 5.759 7.562 1.00 0.00 H new ATOM 0 HA LYS A 17 6.299 4.260 8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.417 6.671 9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.909 7.031 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.696 5.888 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.707 4.467 9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.425 6.946 11.591 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.813 5.444 12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.809 4.214 11.317 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.420 5.713 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.339 5.308 12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.368 6.701 12.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.776 5.248 13.534 1.00 0.00 H new ATOM 268 N PHE A 18 5.195 5.842 6.217 1.00 0.00 N ATOM 269 CA PHE A 18 4.789 6.353 4.876 1.00 0.00 C ATOM 270 C PHE A 18 3.670 7.390 4.989 1.00 0.00 C ATOM 271 O PHE A 18 2.734 7.235 5.747 1.00 0.00 O ATOM 272 CB PHE A 18 4.296 5.127 4.129 1.00 0.00 C ATOM 273 CG PHE A 18 5.482 4.375 3.591 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.195 3.521 4.434 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.877 4.540 2.259 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.307 2.826 3.950 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.989 3.848 1.773 1.00 0.00 C ATOM 278 CZ PHE A 18 7.705 2.989 2.618 1.00 0.00 C ATOM 0 H PHE A 18 4.428 5.602 6.845 1.00 0.00 H new ATOM 0 HA PHE A 18 5.615 6.851 4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.715 4.488 4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.636 5.423 3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.887 3.397 5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.324 5.201 1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.858 2.165 4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.297 3.975 0.746 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.564 2.453 2.241 1.00 0.00 H new ATOM 288 N LYS A 19 3.756 8.442 4.219 1.00 0.00 N ATOM 289 CA LYS A 19 2.698 9.486 4.253 1.00 0.00 C ATOM 290 C LYS A 19 1.851 9.383 2.987 1.00 0.00 C ATOM 291 O LYS A 19 2.338 9.565 1.893 1.00 0.00 O ATOM 292 CB LYS A 19 3.455 10.814 4.278 1.00 0.00 C ATOM 293 CG LYS A 19 2.457 11.973 4.254 1.00 0.00 C ATOM 294 CD LYS A 19 3.166 13.249 3.795 1.00 0.00 C ATOM 295 CE LYS A 19 3.127 13.333 2.267 1.00 0.00 C ATOM 296 NZ LYS A 19 2.485 14.645 1.972 1.00 0.00 N ATOM 0 H LYS A 19 4.519 8.621 3.566 1.00 0.00 H new ATOM 0 HA LYS A 19 2.030 9.385 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.076 10.874 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.124 10.879 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.631 11.741 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.029 12.119 5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.682 14.123 4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.199 13.249 4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.130 13.279 1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.556 12.509 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.422 14.777 0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.530 14.664 2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.055 15.411 2.385 1.00 0.00 H new ATOM 310 N VAL A 20 0.593 9.088 3.110 1.00 0.00 N ATOM 311 CA VAL A 20 -0.243 8.974 1.885 1.00 0.00 C ATOM 312 C VAL A 20 -0.227 10.302 1.126 1.00 0.00 C ATOM 313 O VAL A 20 -0.552 11.345 1.660 1.00 0.00 O ATOM 314 CB VAL A 20 -1.653 8.655 2.383 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.580 8.432 1.186 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.616 7.387 3.239 1.00 0.00 C ATOM 0 H VAL A 20 0.109 8.922 3.993 1.00 0.00 H new ATOM 0 HA VAL A 20 0.122 8.206 1.203 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.024 9.488 2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.585 8.205 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.607 9.333 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.209 7.599 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.621 7.159 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.245 6.555 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.956 7.543 4.092 1.00 0.00 H new ATOM 326 N VAL A 21 0.137 10.260 -0.121 1.00 0.00 N ATOM 327 CA VAL A 21 0.169 11.488 -0.949 1.00 0.00 C ATOM 328 C VAL A 21 -1.138 11.530 -1.729 1.00 0.00 C ATOM 329 O VAL A 21 -1.672 12.576 -2.042 1.00 0.00 O ATOM 330 CB VAL A 21 1.387 11.295 -1.855 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.480 12.430 -2.874 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.654 11.286 -0.996 1.00 0.00 C ATOM 0 H VAL A 21 0.419 9.410 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 21 0.254 12.425 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 21 1.286 10.350 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.352 12.277 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.580 12.442 -3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.575 13.382 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.526 11.149 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.740 12.233 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.600 10.469 -0.276 1.00 0.00 H new ATOM 342 N LYS A 22 -1.678 10.369 -1.988 1.00 0.00 N ATOM 343 CA LYS A 22 -2.984 10.273 -2.687 1.00 0.00 C ATOM 344 C LYS A 22 -3.671 8.974 -2.290 1.00 0.00 C ATOM 345 O LYS A 22 -3.048 7.925 -2.206 1.00 0.00 O ATOM 346 CB LYS A 22 -2.702 10.277 -4.177 1.00 0.00 C ATOM 347 CG LYS A 22 -3.912 10.874 -4.878 1.00 0.00 C ATOM 348 CD LYS A 22 -3.501 12.168 -5.575 1.00 0.00 C ATOM 349 CE LYS A 22 -4.539 12.533 -6.638 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.784 12.549 -7.922 1.00 0.00 N ATOM 0 H LYS A 22 -1.260 9.472 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.635 11.106 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.808 10.861 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.516 9.264 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.312 10.167 -5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.705 11.072 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.414 12.974 -4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.521 12.049 -6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.349 11.805 -6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.990 13.504 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.429 12.792 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.023 13.256 -7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.372 11.610 -8.094 1.00 0.00 H new ATOM 364 N GLU A 23 -4.949 9.045 -2.048 1.00 0.00 N ATOM 365 CA GLU A 23 -5.709 7.830 -1.640 1.00 0.00 C ATOM 366 C GLU A 23 -5.539 6.728 -2.677 1.00 0.00 C ATOM 367 O GLU A 23 -5.199 6.980 -3.816 1.00 0.00 O ATOM 368 CB GLU A 23 -7.168 8.280 -1.567 1.00 0.00 C ATOM 369 CG GLU A 23 -7.914 7.427 -0.540 1.00 0.00 C ATOM 370 CD GLU A 23 -9.073 8.234 0.049 1.00 0.00 C ATOM 371 OE1 GLU A 23 -8.979 9.450 0.057 1.00 0.00 O ATOM 372 OE2 GLU A 23 -10.036 7.622 0.482 1.00 0.00 O ATOM 0 H GLU A 23 -5.504 9.898 -2.116 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.360 7.426 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.222 9.333 -1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.639 8.184 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.291 6.519 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.234 7.116 0.253 1.00 0.00 H new ATOM 379 N ILE A 24 -5.766 5.504 -2.295 1.00 0.00 N ATOM 380 CA ILE A 24 -5.609 4.399 -3.271 1.00 0.00 C ATOM 381 C ILE A 24 -6.482 4.663 -4.496 1.00 0.00 C ATOM 382 O ILE A 24 -7.661 4.938 -4.391 1.00 0.00 O ATOM 383 CB ILE A 24 -6.043 3.122 -2.532 1.00 0.00 C ATOM 384 CG1 ILE A 24 -4.803 2.415 -1.987 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.766 2.167 -3.490 1.00 0.00 C ATOM 386 CD1 ILE A 24 -3.823 2.151 -3.136 1.00 0.00 C ATOM 0 H ILE A 24 -6.051 5.225 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.584 4.305 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.717 3.398 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.327 3.029 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.085 1.476 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.066 1.269 -2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.650 2.659 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.096 1.894 -4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.937 1.647 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.302 1.521 -3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.532 3.098 -3.591 1.00 0.00 H new ATOM 398 N ALA A 25 -5.910 4.556 -5.655 1.00 0.00 N ATOM 399 CA ALA A 25 -6.693 4.772 -6.894 1.00 0.00 C ATOM 400 C ALA A 25 -6.896 3.426 -7.577 1.00 0.00 C ATOM 401 O ALA A 25 -6.277 2.451 -7.214 1.00 0.00 O ATOM 402 CB ALA A 25 -5.832 5.697 -7.754 1.00 0.00 C ATOM 0 H ALA A 25 -4.927 4.327 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.676 5.207 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.346 5.904 -8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.658 6.632 -7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.877 5.215 -7.962 1.00 0.00 H new ATOM 408 N GLU A 26 -7.750 3.346 -8.552 1.00 0.00 N ATOM 409 CA GLU A 26 -7.957 2.037 -9.221 1.00 0.00 C ATOM 410 C GLU A 26 -7.447 2.087 -10.658 1.00 0.00 C ATOM 411 O GLU A 26 -7.730 3.008 -11.400 1.00 0.00 O ATOM 412 CB GLU A 26 -9.467 1.804 -9.184 1.00 0.00 C ATOM 413 CG GLU A 26 -10.176 2.916 -9.959 1.00 0.00 C ATOM 414 CD GLU A 26 -11.684 2.666 -9.944 1.00 0.00 C ATOM 415 OE1 GLU A 26 -12.323 3.073 -8.987 1.00 0.00 O ATOM 416 OE2 GLU A 26 -12.176 2.072 -10.889 1.00 0.00 O ATOM 0 H GLU A 26 -8.308 4.120 -8.912 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.413 1.231 -8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.706 0.834 -9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.817 1.786 -8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.953 3.885 -9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.812 2.947 -10.986 1.00 0.00 H new ATOM 423 N THR A 27 -6.691 1.103 -11.052 1.00 0.00 N ATOM 424 CA THR A 27 -6.152 1.091 -12.441 1.00 0.00 C ATOM 425 C THR A 27 -7.157 0.440 -13.393 1.00 0.00 C ATOM 426 O THR A 27 -8.190 -0.050 -12.981 1.00 0.00 O ATOM 427 CB THR A 27 -4.873 0.258 -12.360 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.214 -1.109 -12.200 1.00 0.00 O ATOM 429 CG2 THR A 27 -4.029 0.721 -11.171 1.00 0.00 C ATOM 0 H THR A 27 -6.422 0.307 -10.474 1.00 0.00 H new ATOM 0 HA THR A 27 -5.962 2.095 -12.820 1.00 0.00 H new ATOM 0 HB THR A 27 -4.297 0.386 -13.277 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.021 -1.183 -11.648 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.118 0.125 -11.117 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.768 1.772 -11.297 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.599 0.597 -10.250 1.00 0.00 H new ATOM 437 N GLN A 28 -6.863 0.432 -14.663 1.00 0.00 N ATOM 438 CA GLN A 28 -7.804 -0.188 -15.640 1.00 0.00 C ATOM 439 C GLN A 28 -7.486 -1.677 -15.809 1.00 0.00 C ATOM 440 O GLN A 28 -7.716 -2.256 -16.851 1.00 0.00 O ATOM 441 CB GLN A 28 -7.566 0.564 -16.950 1.00 0.00 C ATOM 442 CG GLN A 28 -6.112 0.377 -17.390 1.00 0.00 C ATOM 443 CD GLN A 28 -6.010 0.561 -18.906 1.00 0.00 C ATOM 444 OE1 GLN A 28 -5.831 -0.395 -19.634 1.00 0.00 O ATOM 445 NE2 GLN A 28 -6.117 1.757 -19.414 1.00 0.00 N ATOM 0 H GLN A 28 -6.014 0.827 -15.067 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.842 -0.121 -15.314 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.241 0.194 -17.722 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.784 1.624 -16.818 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.471 1.098 -16.882 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.761 -0.616 -17.109 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.267 2.559 -18.802 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.050 1.890 -20.423 1.00 0.00 H new ATOM 454 N HIS A 29 -6.958 -2.300 -14.791 1.00 0.00 N ATOM 455 CA HIS A 29 -6.627 -3.751 -14.897 1.00 0.00 C ATOM 456 C HIS A 29 -7.124 -4.502 -13.658 1.00 0.00 C ATOM 457 O HIS A 29 -6.868 -5.678 -13.491 1.00 0.00 O ATOM 458 CB HIS A 29 -5.100 -3.802 -14.979 1.00 0.00 C ATOM 459 CG HIS A 29 -4.682 -3.944 -16.418 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.610 -3.245 -16.947 1.00 0.00 N ATOM 461 CD2 HIS A 29 -5.183 -4.701 -17.448 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.500 -3.592 -18.243 1.00 0.00 C ATOM 463 NE2 HIS A 29 -4.435 -4.476 -18.599 1.00 0.00 N ATOM 0 H HIS A 29 -6.742 -1.869 -13.892 1.00 0.00 H new ATOM 0 HA HIS A 29 -7.099 -4.220 -15.760 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.671 -2.895 -14.552 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.721 -4.640 -14.394 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.029 -5.369 -17.376 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.747 -3.203 -18.913 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.572 -4.896 -19.518 1.00 0.00 H new ATOM 471 N GLY A 30 -7.829 -3.833 -12.787 1.00 0.00 N ATOM 472 CA GLY A 30 -8.338 -4.512 -11.562 1.00 0.00 C ATOM 473 C GLY A 30 -7.407 -4.210 -10.387 1.00 0.00 C ATOM 474 O GLY A 30 -7.626 -4.657 -9.278 1.00 0.00 O ATOM 0 H GLY A 30 -8.074 -2.846 -12.871 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.348 -4.170 -11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.395 -5.588 -11.727 1.00 0.00 H new ATOM 478 N THR A 31 -6.367 -3.455 -10.619 1.00 0.00 N ATOM 479 CA THR A 31 -5.422 -3.125 -9.515 1.00 0.00 C ATOM 480 C THR A 31 -5.784 -1.783 -8.886 1.00 0.00 C ATOM 481 O THR A 31 -6.756 -1.151 -9.251 1.00 0.00 O ATOM 482 CB THR A 31 -4.043 -3.033 -10.174 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.185 -3.095 -11.587 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.176 -4.193 -9.699 1.00 0.00 C ATOM 0 H THR A 31 -6.131 -3.053 -11.526 1.00 0.00 H new ATOM 0 HA THR A 31 -5.452 -3.874 -8.724 1.00 0.00 H new ATOM 0 HB THR A 31 -3.572 -2.089 -9.899 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.423 -2.209 -11.931 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.194 -4.129 -10.167 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.065 -4.145 -8.616 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.648 -5.136 -9.974 1.00 0.00 H new ATOM 492 N ILE A 32 -4.988 -1.336 -7.961 1.00 0.00 N ATOM 493 CA ILE A 32 -5.246 -0.023 -7.314 1.00 0.00 C ATOM 494 C ILE A 32 -3.916 0.685 -7.138 1.00 0.00 C ATOM 495 O ILE A 32 -2.883 0.059 -7.065 1.00 0.00 O ATOM 496 CB ILE A 32 -5.900 -0.273 -5.944 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.028 -1.771 -5.645 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.291 0.361 -5.938 1.00 0.00 C ATOM 499 CD1 ILE A 32 -5.970 -1.993 -4.133 1.00 0.00 C ATOM 0 H ILE A 32 -4.162 -1.828 -7.622 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.910 0.592 -7.921 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.268 0.172 -5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.967 -2.154 -6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.225 -2.321 -6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.765 0.190 -4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.203 1.433 -6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.899 -0.087 -6.724 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.061 -3.058 -3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.019 -1.625 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.788 -1.455 -3.655 1.00 0.00 H new ATOM 511 N VAL A 33 -3.920 1.977 -7.099 1.00 0.00 N ATOM 512 CA VAL A 33 -2.634 2.705 -6.970 1.00 0.00 C ATOM 513 C VAL A 33 -2.579 3.534 -5.690 1.00 0.00 C ATOM 514 O VAL A 33 -3.513 4.229 -5.348 1.00 0.00 O ATOM 515 CB VAL A 33 -2.617 3.606 -8.191 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.441 4.573 -8.092 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.484 2.741 -9.445 1.00 0.00 C ATOM 0 H VAL A 33 -4.753 2.563 -7.150 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.779 2.031 -6.915 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.542 4.180 -8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.428 5.221 -8.969 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.544 5.181 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.509 4.009 -8.043 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.471 3.380 -10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.557 2.170 -9.396 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.329 2.056 -9.506 1.00 0.00 H new ATOM 527 N ILE A 34 -1.478 3.480 -4.988 1.00 0.00 N ATOM 528 CA ILE A 34 -1.352 4.273 -3.746 1.00 0.00 C ATOM 529 C ILE A 34 -0.186 5.244 -3.863 1.00 0.00 C ATOM 530 O ILE A 34 0.950 4.852 -4.008 1.00 0.00 O ATOM 531 CB ILE A 34 -1.125 3.245 -2.629 1.00 0.00 C ATOM 532 CG1 ILE A 34 -1.911 3.707 -1.418 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.360 3.126 -2.253 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.241 4.942 -0.830 1.00 0.00 C ATOM 0 H ILE A 34 -0.662 2.917 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.236 4.878 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.453 2.265 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.938 3.936 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.955 2.913 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.476 2.388 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.932 2.813 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.726 4.092 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.801 5.280 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.221 4.696 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.220 5.735 -1.577 1.00 0.00 H new ATOM 546 N ARG A 35 -0.449 6.506 -3.782 1.00 0.00 N ATOM 547 CA ARG A 35 0.665 7.481 -3.872 1.00 0.00 C ATOM 548 C ARG A 35 1.017 7.927 -2.463 1.00 0.00 C ATOM 549 O ARG A 35 0.175 8.396 -1.723 1.00 0.00 O ATOM 550 CB ARG A 35 0.125 8.633 -4.710 1.00 0.00 C ATOM 551 CG ARG A 35 1.067 9.833 -4.608 1.00 0.00 C ATOM 552 CD ARG A 35 1.417 10.327 -6.011 1.00 0.00 C ATOM 553 NE ARG A 35 2.873 10.056 -6.162 1.00 0.00 N ATOM 554 CZ ARG A 35 3.552 10.630 -7.120 1.00 0.00 C ATOM 555 NH1 ARG A 35 2.957 11.448 -7.947 1.00 0.00 N ATOM 556 NH2 ARG A 35 4.828 10.389 -7.249 1.00 0.00 N ATOM 0 H ARG A 35 -1.378 6.908 -3.658 1.00 0.00 H new ATOM 0 HA ARG A 35 1.569 7.075 -4.325 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.027 8.323 -5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.871 8.910 -4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.595 10.632 -4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.974 9.552 -4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.837 9.803 -6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.200 11.389 -6.121 1.00 0.00 H new ATOM 0 HE ARG A 35 3.342 9.421 -5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.960 11.640 -7.846 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.489 11.895 -8.694 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.295 9.753 -6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.359 10.837 -7.996 1.00 0.00 H new ATOM 570 N VAL A 36 2.242 7.766 -2.067 1.00 0.00 N ATOM 571 CA VAL A 36 2.618 8.158 -0.700 1.00 0.00 C ATOM 572 C VAL A 36 4.041 8.628 -0.706 1.00 0.00 C ATOM 573 O VAL A 36 4.787 8.378 -1.617 1.00 0.00 O ATOM 574 CB VAL A 36 2.449 6.898 0.159 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.244 6.098 -0.329 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.707 6.024 0.066 1.00 0.00 C ATOM 0 H VAL A 36 2.996 7.379 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 36 2.006 8.970 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 36 2.294 7.198 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.128 5.204 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.345 6.710 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.397 5.808 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.577 5.132 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.870 5.731 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.569 6.588 0.424 1.00 0.00 H new ATOM 586 N GLN A 37 4.416 9.308 0.299 1.00 0.00 N ATOM 587 CA GLN A 37 5.783 9.805 0.358 1.00 0.00 C ATOM 588 C GLN A 37 6.519 9.030 1.437 1.00 0.00 C ATOM 589 O GLN A 37 6.026 8.861 2.536 1.00 0.00 O ATOM 590 CB GLN A 37 5.582 11.260 0.727 1.00 0.00 C ATOM 591 CG GLN A 37 6.923 11.996 0.728 1.00 0.00 C ATOM 592 CD GLN A 37 6.843 13.199 1.671 1.00 0.00 C ATOM 593 OE1 GLN A 37 7.282 13.129 2.802 1.00 0.00 O ATOM 594 NE2 GLN A 37 6.297 14.307 1.251 1.00 0.00 N ATOM 0 H GLN A 37 3.828 9.547 1.097 1.00 0.00 H new ATOM 0 HA GLN A 37 6.369 9.696 -0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.901 11.731 0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.119 11.332 1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.719 11.323 1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.169 12.327 -0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.928 14.366 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.239 15.114 1.872 1.00 0.00 H new ATOM 603 N TYR A 38 7.669 8.524 1.135 1.00 0.00 N ATOM 604 CA TYR A 38 8.391 7.722 2.160 1.00 0.00 C ATOM 605 C TYR A 38 8.653 8.565 3.410 1.00 0.00 C ATOM 606 O TYR A 38 9.294 9.590 3.363 1.00 0.00 O ATOM 607 CB TYR A 38 9.709 7.316 1.507 1.00 0.00 C ATOM 608 CG TYR A 38 10.519 6.507 2.489 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.876 5.622 3.363 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.911 6.642 2.529 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.628 4.871 4.276 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.662 5.893 3.440 1.00 0.00 C ATOM 613 CZ TYR A 38 12.021 5.006 4.314 1.00 0.00 C ATOM 614 OH TYR A 38 12.760 4.267 5.213 1.00 0.00 O ATOM 0 H TYR A 38 8.142 8.625 0.237 1.00 0.00 H new ATOM 0 HA TYR A 38 7.812 6.854 2.476 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.518 6.732 0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.265 8.202 1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.801 5.518 3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.406 7.326 1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.133 4.188 4.950 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.736 5.998 3.470 1.00 0.00 H new ATOM 0 HH TYR A 38 13.597 3.982 4.792 1.00 0.00 H new ATOM 624 N GLU A 39 8.158 8.129 4.533 1.00 0.00 N ATOM 625 CA GLU A 39 8.380 8.891 5.794 1.00 0.00 C ATOM 626 C GLU A 39 9.389 8.143 6.658 1.00 0.00 C ATOM 627 O GLU A 39 9.461 8.322 7.858 1.00 0.00 O ATOM 628 CB GLU A 39 7.015 8.940 6.479 1.00 0.00 C ATOM 629 CG GLU A 39 6.252 10.180 6.008 1.00 0.00 C ATOM 630 CD GLU A 39 5.332 10.668 7.127 1.00 0.00 C ATOM 631 OE1 GLU A 39 4.716 9.833 7.769 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.257 11.870 7.324 1.00 0.00 O ATOM 0 H GLU A 39 7.608 7.276 4.633 1.00 0.00 H new ATOM 0 HA GLU A 39 8.773 9.893 5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.447 8.040 6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.140 8.966 7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.953 10.967 5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.667 9.944 5.119 1.00 0.00 H new ATOM 639 N GLY A 40 10.166 7.297 6.046 1.00 0.00 N ATOM 640 CA GLY A 40 11.175 6.517 6.804 1.00 0.00 C ATOM 641 C GLY A 40 12.575 6.908 6.342 1.00 0.00 C ATOM 642 O GLY A 40 12.774 7.942 5.736 1.00 0.00 O ATOM 0 H GLY A 40 10.144 7.112 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.068 6.705 7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.015 5.450 6.651 1.00 0.00 H new ATOM 646 N ASP A 41 13.544 6.086 6.618 1.00 0.00 N ATOM 647 CA ASP A 41 14.933 6.411 6.190 1.00 0.00 C ATOM 648 C ASP A 41 15.517 5.260 5.370 1.00 0.00 C ATOM 649 O ASP A 41 15.245 4.104 5.625 1.00 0.00 O ATOM 650 CB ASP A 41 15.717 6.599 7.489 1.00 0.00 C ATOM 651 CG ASP A 41 16.964 7.441 7.215 1.00 0.00 C ATOM 652 OD1 ASP A 41 17.545 7.275 6.155 1.00 0.00 O ATOM 653 OD2 ASP A 41 17.317 8.238 8.069 1.00 0.00 O ATOM 0 H ASP A 41 13.437 5.205 7.120 1.00 0.00 H new ATOM 0 HA ASP A 41 14.973 7.300 5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.092 7.088 8.236 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.002 5.630 7.898 1.00 0.00 H new ATOM 658 N GLY A 42 16.326 5.563 4.387 1.00 0.00 N ATOM 659 CA GLY A 42 16.924 4.471 3.568 1.00 0.00 C ATOM 660 C GLY A 42 17.192 4.943 2.133 1.00 0.00 C ATOM 661 O GLY A 42 17.777 4.226 1.347 1.00 0.00 O ATOM 0 H GLY A 42 16.595 6.510 4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.856 4.138 4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.252 3.613 3.553 1.00 0.00 H new ATOM 665 N SER A 43 16.782 6.132 1.768 1.00 0.00 N ATOM 666 CA SER A 43 17.043 6.588 0.374 1.00 0.00 C ATOM 667 C SER A 43 16.545 5.495 -0.591 1.00 0.00 C ATOM 668 O SER A 43 15.651 4.759 -0.228 1.00 0.00 O ATOM 669 CB SER A 43 18.558 6.755 0.342 1.00 0.00 C ATOM 670 OG SER A 43 18.903 7.814 -0.542 1.00 0.00 O ATOM 0 H SER A 43 16.287 6.794 2.365 1.00 0.00 H new ATOM 0 HA SER A 43 16.539 7.509 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.932 6.968 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.029 5.828 0.016 1.00 0.00 H new ATOM 0 HG SER A 43 19.877 7.921 -0.560 1.00 0.00 H new ATOM 676 N PRO A 44 17.113 5.391 -1.779 1.00 0.00 N ATOM 677 CA PRO A 44 16.657 4.342 -2.716 1.00 0.00 C ATOM 678 C PRO A 44 16.424 3.042 -1.943 1.00 0.00 C ATOM 679 O PRO A 44 17.337 2.297 -1.649 1.00 0.00 O ATOM 680 CB PRO A 44 17.803 4.230 -3.711 1.00 0.00 C ATOM 681 CG PRO A 44 18.408 5.597 -3.730 1.00 0.00 C ATOM 682 CD PRO A 44 18.190 6.200 -2.362 1.00 0.00 C ATOM 0 HA PRO A 44 15.715 4.563 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.528 3.478 -3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.446 3.939 -4.699 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.472 5.544 -3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.944 6.213 -4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.096 6.153 -1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 44 17.907 7.250 -2.430 1.00 0.00 H new ATOM 690 N CYS A 45 15.195 2.801 -1.583 1.00 0.00 N ATOM 691 CA CYS A 45 14.854 1.587 -0.791 1.00 0.00 C ATOM 692 C CYS A 45 13.468 1.073 -1.203 1.00 0.00 C ATOM 693 O CYS A 45 12.739 1.728 -1.919 1.00 0.00 O ATOM 694 CB CYS A 45 14.885 2.084 0.667 1.00 0.00 C ATOM 695 SG CYS A 45 13.640 1.240 1.679 1.00 0.00 S ATOM 0 H CYS A 45 14.402 3.402 -1.807 1.00 0.00 H new ATOM 0 HA CYS A 45 15.536 0.750 -0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.875 1.915 1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.708 3.159 0.691 1.00 0.00 H new ATOM 700 N LYS A 46 13.107 -0.101 -0.763 1.00 0.00 N ATOM 701 CA LYS A 46 11.781 -0.672 -1.146 1.00 0.00 C ATOM 702 C LYS A 46 10.657 -0.140 -0.261 1.00 0.00 C ATOM 703 O LYS A 46 10.881 0.601 0.671 1.00 0.00 O ATOM 704 CB LYS A 46 11.941 -2.176 -0.952 1.00 0.00 C ATOM 705 CG LYS A 46 11.743 -2.894 -2.283 1.00 0.00 C ATOM 706 CD LYS A 46 11.199 -4.300 -2.015 1.00 0.00 C ATOM 707 CE LYS A 46 9.890 -4.199 -1.228 1.00 0.00 C ATOM 708 NZ LYS A 46 10.195 -4.796 0.102 1.00 0.00 N ATOM 0 H LYS A 46 13.673 -0.692 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 46 11.510 -0.401 -2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.931 -2.397 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.216 -2.537 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.050 -2.336 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.688 -2.953 -2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.030 -4.822 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.929 -4.883 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.566 -3.163 -1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.086 -4.739 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.534 -4.420 0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.095 -5.830 0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.169 -4.556 0.375 1.00 0.00 H new ATOM 722 N ILE A 47 9.442 -0.498 -0.580 1.00 0.00 N ATOM 723 CA ILE A 47 8.275 -0.002 0.204 1.00 0.00 C ATOM 724 C ILE A 47 7.436 -1.161 0.751 1.00 0.00 C ATOM 725 O ILE A 47 6.961 -1.991 0.003 1.00 0.00 O ATOM 726 CB ILE A 47 7.466 0.796 -0.814 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.427 1.636 -1.654 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.481 1.711 -0.086 1.00 0.00 C ATOM 729 CD1 ILE A 47 9.190 2.586 -0.738 1.00 0.00 C ATOM 0 H ILE A 47 9.207 -1.117 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 47 8.581 0.585 1.070 1.00 0.00 H new ATOM 0 HB ILE A 47 6.907 0.117 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.123 0.989 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.875 2.200 -2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.905 2.280 -0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.805 1.108 0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.030 2.398 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.878 3.189 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.486 3.240 -0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.753 2.010 -0.004 1.00 0.00 H new ATOM 741 N PRO A 48 7.267 -1.160 2.045 1.00 0.00 N ATOM 742 CA PRO A 48 6.456 -2.208 2.717 1.00 0.00 C ATOM 743 C PRO A 48 5.011 -2.166 2.216 1.00 0.00 C ATOM 744 O PRO A 48 4.469 -1.113 1.946 1.00 0.00 O ATOM 745 CB PRO A 48 6.511 -1.813 4.189 1.00 0.00 C ATOM 746 CG PRO A 48 7.716 -0.940 4.306 1.00 0.00 C ATOM 747 CD PRO A 48 7.811 -0.200 3.005 1.00 0.00 C ATOM 0 HA PRO A 48 6.825 -3.216 2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.608 -1.282 4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.594 -2.690 4.831 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.618 -0.249 5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.613 -1.533 4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.234 0.725 3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.840 0.070 2.768 1.00 0.00 H new ATOM 755 N PHE A 49 4.386 -3.299 2.088 1.00 0.00 N ATOM 756 CA PHE A 49 2.983 -3.321 1.604 1.00 0.00 C ATOM 757 C PHE A 49 2.245 -4.543 2.157 1.00 0.00 C ATOM 758 O PHE A 49 2.849 -5.517 2.558 1.00 0.00 O ATOM 759 CB PHE A 49 3.120 -3.436 0.095 1.00 0.00 C ATOM 760 CG PHE A 49 1.936 -2.776 -0.571 1.00 0.00 C ATOM 761 CD1 PHE A 49 1.952 -1.396 -0.816 1.00 0.00 C ATOM 762 CD2 PHE A 49 0.819 -3.537 -0.937 1.00 0.00 C ATOM 763 CE1 PHE A 49 0.853 -0.781 -1.426 1.00 0.00 C ATOM 764 CE2 PHE A 49 -0.278 -2.920 -1.549 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.262 -1.542 -1.794 1.00 0.00 C ATOM 0 H PHE A 49 4.788 -4.213 2.298 1.00 0.00 H new ATOM 0 HA PHE A 49 2.418 -2.443 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.046 -2.963 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.177 -4.485 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.812 -0.807 -0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.804 -4.600 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.865 0.283 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.138 -3.508 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.109 -1.067 -2.266 1.00 0.00 H new ATOM 775 N GLU A 50 0.940 -4.504 2.168 1.00 0.00 N ATOM 776 CA GLU A 50 0.164 -5.669 2.680 1.00 0.00 C ATOM 777 C GLU A 50 -1.337 -5.393 2.560 1.00 0.00 C ATOM 778 O GLU A 50 -1.917 -4.691 3.363 1.00 0.00 O ATOM 779 CB GLU A 50 0.577 -5.815 4.146 1.00 0.00 C ATOM 780 CG GLU A 50 -0.361 -6.802 4.843 1.00 0.00 C ATOM 781 CD GLU A 50 -0.058 -8.223 4.362 1.00 0.00 C ATOM 782 OE1 GLU A 50 1.062 -8.457 3.938 1.00 0.00 O ATOM 783 OE2 GLU A 50 -0.949 -9.052 4.425 1.00 0.00 O ATOM 0 H GLU A 50 0.378 -3.716 1.845 1.00 0.00 H new ATOM 0 HA GLU A 50 0.364 -6.580 2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.607 -6.167 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.539 -4.846 4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.235 -6.738 5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.399 -6.548 4.628 1.00 0.00 H new ATOM 790 N ILE A 51 -1.970 -5.937 1.557 1.00 0.00 N ATOM 791 CA ILE A 51 -3.432 -5.701 1.383 1.00 0.00 C ATOM 792 C ILE A 51 -4.234 -6.739 2.173 1.00 0.00 C ATOM 793 O ILE A 51 -4.850 -7.622 1.609 1.00 0.00 O ATOM 794 CB ILE A 51 -3.679 -5.854 -0.118 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.672 -4.994 -0.886 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.100 -5.395 -0.452 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.887 -5.165 -2.393 1.00 0.00 C ATOM 0 H ILE A 51 -1.539 -6.534 0.851 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.741 -4.722 1.748 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.560 -6.899 -0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.789 -3.946 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.655 -5.283 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.276 -5.504 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.818 -6.004 0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.220 -4.349 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.168 -4.551 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.748 -6.212 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.899 -4.854 -2.654 1.00 0.00 H new ATOM 970 N GLY A 61 -4.498 -10.286 -1.867 1.00 0.00 N ATOM 971 CA GLY A 61 -4.334 -9.343 -3.010 1.00 0.00 C ATOM 972 C GLY A 61 -2.995 -9.605 -3.700 1.00 0.00 C ATOM 973 O GLY A 61 -2.392 -10.646 -3.531 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.152 -9.469 -3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.377 -8.313 -2.655 1.00 0.00 H new ATOM 977 N ARG A 62 -2.524 -8.668 -4.475 1.00 0.00 N ATOM 978 CA ARG A 62 -1.224 -8.858 -5.172 1.00 0.00 C ATOM 979 C ARG A 62 -0.608 -7.497 -5.468 1.00 0.00 C ATOM 980 O ARG A 62 -1.259 -6.479 -5.352 1.00 0.00 O ATOM 981 CB ARG A 62 -1.568 -9.576 -6.475 1.00 0.00 C ATOM 982 CG ARG A 62 -0.705 -10.831 -6.606 1.00 0.00 C ATOM 983 CD ARG A 62 0.025 -10.813 -7.950 1.00 0.00 C ATOM 984 NE ARG A 62 -0.124 -12.195 -8.487 1.00 0.00 N ATOM 985 CZ ARG A 62 -1.301 -12.640 -8.836 1.00 0.00 C ATOM 986 NH1 ARG A 62 -2.355 -11.877 -8.716 1.00 0.00 N ATOM 987 NH2 ARG A 62 -1.426 -13.851 -9.306 1.00 0.00 N ATOM 0 H ARG A 62 -2.986 -7.777 -4.655 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.509 -9.425 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.624 -9.845 -6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.398 -8.914 -7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.016 -10.876 -5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.328 -11.722 -6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.411 -10.077 -8.626 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.075 -10.549 -7.825 1.00 0.00 H new ATOM 0 HE ARG A 62 0.695 -12.795 -8.582 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.260 -10.930 -8.349 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.273 -12.228 -8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.605 -14.449 -9.400 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.345 -14.200 -9.579 1.00 0.00 H new ATOM 1001 N LEU A 63 0.633 -7.458 -5.850 1.00 0.00 N ATOM 1002 CA LEU A 63 1.246 -6.143 -6.146 1.00 0.00 C ATOM 1003 C LEU A 63 1.760 -6.097 -7.585 1.00 0.00 C ATOM 1004 O LEU A 63 2.601 -6.875 -7.982 1.00 0.00 O ATOM 1005 CB LEU A 63 2.401 -5.994 -5.154 1.00 0.00 C ATOM 1006 CG LEU A 63 1.906 -5.289 -3.891 1.00 0.00 C ATOM 1007 CD1 LEU A 63 3.054 -5.184 -2.892 1.00 0.00 C ATOM 1008 CD2 LEU A 63 1.420 -3.881 -4.235 1.00 0.00 C ATOM 0 H LEU A 63 1.241 -8.268 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 63 0.524 -5.332 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.805 -6.974 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.211 -5.423 -5.607 1.00 0.00 H new ATOM 0 HG LEU A 63 1.084 -5.862 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.706 -4.682 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.408 -6.183 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.870 -4.612 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.069 -3.386 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.241 -3.308 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.603 -3.944 -4.954 1.00 0.00 H new ATOM 1020 N ILE A 64 1.279 -5.165 -8.358 1.00 0.00 N ATOM 1021 CA ILE A 64 1.762 -5.036 -9.758 1.00 0.00 C ATOM 1022 C ILE A 64 3.067 -4.252 -9.708 1.00 0.00 C ATOM 1023 O ILE A 64 3.944 -4.397 -10.536 1.00 0.00 O ATOM 1024 CB ILE A 64 0.678 -4.246 -10.492 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.513 -5.160 -10.808 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.251 -3.694 -11.798 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -0.954 -5.902 -9.545 1.00 0.00 C ATOM 0 H ILE A 64 0.571 -4.486 -8.079 1.00 0.00 H new ATOM 0 HA ILE A 64 1.941 -5.989 -10.257 1.00 0.00 H new ATOM 0 HB ILE A 64 0.342 -3.425 -9.858 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.341 -4.569 -11.200 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.237 -5.876 -11.582 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.480 -3.130 -12.324 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.093 -3.038 -11.577 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.588 -4.519 -12.425 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.800 -6.548 -9.779 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.128 -6.507 -9.171 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.249 -5.180 -8.783 1.00 0.00 H new ATOM 1039 N THR A 65 3.190 -3.442 -8.695 1.00 0.00 N ATOM 1040 CA THR A 65 4.420 -2.640 -8.489 1.00 0.00 C ATOM 1041 C THR A 65 5.303 -3.402 -7.492 1.00 0.00 C ATOM 1042 O THR A 65 6.020 -2.844 -6.686 1.00 0.00 O ATOM 1043 CB THR A 65 3.880 -1.313 -7.929 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.627 -0.420 -9.003 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.874 -0.674 -6.967 1.00 0.00 C ATOM 0 H THR A 65 2.470 -3.301 -7.986 1.00 0.00 H new ATOM 0 HA THR A 65 5.032 -2.463 -9.374 1.00 0.00 H new ATOM 0 HB THR A 65 2.960 -1.520 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.435 0.473 -8.648 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.464 0.262 -6.588 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.061 -1.352 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.810 -0.475 -7.490 1.00 0.00 H new ATOM 1053 N VAL A 66 5.228 -4.703 -7.562 1.00 0.00 N ATOM 1054 CA VAL A 66 6.015 -5.582 -6.650 1.00 0.00 C ATOM 1055 C VAL A 66 7.374 -4.966 -6.334 1.00 0.00 C ATOM 1056 O VAL A 66 8.025 -4.388 -7.180 1.00 0.00 O ATOM 1057 CB VAL A 66 6.183 -6.897 -7.420 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.359 -7.695 -6.845 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.904 -7.729 -7.292 1.00 0.00 C ATOM 0 H VAL A 66 4.641 -5.205 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 66 5.515 -5.725 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 66 6.377 -6.672 -8.469 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.471 -8.628 -7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.274 -7.109 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.169 -7.917 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.022 -8.664 -7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.714 -7.945 -6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.064 -7.171 -7.705 1.00 0.00 H new ATOM 1069 N ASN A 67 7.806 -5.099 -5.114 1.00 0.00 N ATOM 1070 CA ASN A 67 9.125 -4.539 -4.727 1.00 0.00 C ATOM 1071 C ASN A 67 9.173 -3.037 -5.016 1.00 0.00 C ATOM 1072 O ASN A 67 10.135 -2.544 -5.569 1.00 0.00 O ATOM 1073 CB ASN A 67 10.133 -5.293 -5.600 1.00 0.00 C ATOM 1074 CG ASN A 67 11.562 -4.919 -5.198 1.00 0.00 C ATOM 1075 OD1 ASN A 67 12.264 -5.757 -4.485 1.00 0.00 O flip ATOM 1076 ND2 ASN A 67 12.046 -3.858 -5.538 1.00 0.00 N flip ATOM 0 H ASN A 67 7.300 -5.573 -4.366 1.00 0.00 H new ATOM 0 HA ASN A 67 9.333 -4.656 -3.663 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.986 -6.368 -5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.968 -5.052 -6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.498 -3.203 -6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.001 -3.622 -5.266 1.00 0.00 H new ATOM 1083 N PRO A 68 8.133 -2.350 -4.625 1.00 0.00 N ATOM 1084 CA PRO A 68 8.078 -0.888 -4.845 1.00 0.00 C ATOM 1085 C PRO A 68 9.263 -0.237 -4.145 1.00 0.00 C ATOM 1086 O PRO A 68 9.730 -0.727 -3.138 1.00 0.00 O ATOM 1087 CB PRO A 68 6.754 -0.452 -4.217 1.00 0.00 C ATOM 1088 CG PRO A 68 6.276 -1.621 -3.407 1.00 0.00 C ATOM 1089 CD PRO A 68 6.937 -2.858 -3.955 1.00 0.00 C ATOM 0 HA PRO A 68 8.130 -0.604 -5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.891 0.428 -3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.027 -0.186 -4.984 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.528 -1.486 -2.355 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.191 -1.709 -3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.192 -3.560 -3.161 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.284 -3.386 -4.650 1.00 0.00 H new ATOM 1097 N ILE A 69 9.773 0.843 -4.676 1.00 0.00 N ATOM 1098 CA ILE A 69 10.958 1.478 -4.037 1.00 0.00 C ATOM 1099 C ILE A 69 10.898 3.005 -4.102 1.00 0.00 C ATOM 1100 O ILE A 69 10.469 3.585 -5.080 1.00 0.00 O ATOM 1101 CB ILE A 69 12.136 0.986 -4.876 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.228 -0.552 -4.768 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.427 1.669 -4.395 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.628 -0.998 -4.319 1.00 0.00 C ATOM 0 H ILE A 69 9.424 1.307 -5.515 1.00 0.00 H new ATOM 0 HA ILE A 69 11.024 1.220 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 69 11.992 1.244 -5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.484 -0.914 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.993 -1.001 -5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.268 1.319 -4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.329 2.749 -4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.600 1.424 -3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.660 -2.086 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.368 -0.657 -5.043 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.851 -0.568 -3.342 1.00 0.00 H new ATOM 1116 N VAL A 70 11.382 3.653 -3.079 1.00 0.00 N ATOM 1117 CA VAL A 70 11.421 5.141 -3.084 1.00 0.00 C ATOM 1118 C VAL A 70 12.792 5.566 -3.588 1.00 0.00 C ATOM 1119 O VAL A 70 13.755 4.849 -3.438 1.00 0.00 O ATOM 1120 CB VAL A 70 11.238 5.564 -1.622 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.508 7.064 -1.472 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.807 5.259 -1.180 1.00 0.00 C ATOM 0 H VAL A 70 11.753 3.214 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 70 10.656 5.591 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 70 11.941 5.011 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.375 7.355 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.530 7.283 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.811 7.623 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.675 5.559 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.107 5.810 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.617 4.190 -1.276 1.00 0.00 H new ATOM 1132 N THR A 71 12.903 6.716 -4.173 1.00 0.00 N ATOM 1133 CA THR A 71 14.238 7.160 -4.662 1.00 0.00 C ATOM 1134 C THR A 71 14.717 8.309 -3.787 1.00 0.00 C ATOM 1135 O THR A 71 15.893 8.591 -3.682 1.00 0.00 O ATOM 1136 CB THR A 71 14.022 7.613 -6.103 1.00 0.00 C ATOM 1137 OG1 THR A 71 12.958 6.867 -6.678 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.307 7.375 -6.899 1.00 0.00 C ATOM 0 H THR A 71 12.136 7.368 -4.336 1.00 0.00 H new ATOM 0 HA THR A 71 14.992 6.374 -4.619 1.00 0.00 H new ATOM 0 HB THR A 71 13.770 8.673 -6.124 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.817 7.158 -7.603 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.161 7.696 -7.930 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.122 7.945 -6.453 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.555 6.314 -6.881 1.00 0.00 H new ATOM 1146 N GLU A 72 13.795 8.951 -3.135 1.00 0.00 N ATOM 1147 CA GLU A 72 14.146 10.065 -2.226 1.00 0.00 C ATOM 1148 C GLU A 72 13.293 9.939 -0.970 1.00 0.00 C ATOM 1149 O GLU A 72 12.163 9.500 -1.023 1.00 0.00 O ATOM 1150 CB GLU A 72 13.810 11.344 -2.995 1.00 0.00 C ATOM 1151 CG GLU A 72 14.982 11.715 -3.905 1.00 0.00 C ATOM 1152 CD GLU A 72 15.331 13.192 -3.712 1.00 0.00 C ATOM 1153 OE1 GLU A 72 14.516 14.025 -4.074 1.00 0.00 O ATOM 1154 OE2 GLU A 72 16.407 13.465 -3.207 1.00 0.00 O ATOM 0 H GLU A 72 12.798 8.746 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 72 15.194 10.064 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.907 11.198 -3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.605 12.157 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.847 11.093 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.722 11.525 -4.946 1.00 0.00 H new ATOM 1161 N LYS A 73 13.817 10.299 0.160 1.00 0.00 N ATOM 1162 CA LYS A 73 13.019 10.166 1.407 1.00 0.00 C ATOM 1163 C LYS A 73 11.675 10.883 1.270 1.00 0.00 C ATOM 1164 O LYS A 73 10.783 10.683 2.062 1.00 0.00 O ATOM 1165 CB LYS A 73 13.869 10.808 2.503 1.00 0.00 C ATOM 1166 CG LYS A 73 13.336 10.386 3.874 1.00 0.00 C ATOM 1167 CD LYS A 73 12.560 11.547 4.499 1.00 0.00 C ATOM 1168 CE LYS A 73 12.567 11.404 6.024 1.00 0.00 C ATOM 1169 NZ LYS A 73 13.661 12.302 6.488 1.00 0.00 N ATOM 0 H LYS A 73 14.757 10.678 0.278 1.00 0.00 H new ATOM 0 HA LYS A 73 12.791 9.124 1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.910 10.503 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.843 11.894 2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.689 9.515 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.162 10.095 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.010 12.497 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.535 11.554 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.608 11.695 6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.749 10.372 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.729 12.259 7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.562 11.996 6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.457 13.279 6.194 1.00 0.00 H new ATOM 1183 N ASP A 74 11.509 11.713 0.281 1.00 0.00 N ATOM 1184 CA ASP A 74 10.202 12.410 0.134 1.00 0.00 C ATOM 1185 C ASP A 74 9.634 12.196 -1.268 1.00 0.00 C ATOM 1186 O ASP A 74 8.651 12.800 -1.644 1.00 0.00 O ATOM 1187 CB ASP A 74 10.501 13.888 0.382 1.00 0.00 C ATOM 1188 CG ASP A 74 9.209 14.614 0.762 1.00 0.00 C ATOM 1189 OD1 ASP A 74 8.497 15.024 -0.141 1.00 0.00 O ATOM 1190 OD2 ASP A 74 8.955 14.750 1.947 1.00 0.00 O ATOM 0 H ASP A 74 12.211 11.938 -0.424 1.00 0.00 H new ATOM 0 HA ASP A 74 9.456 12.029 0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.237 13.992 1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.934 14.337 -0.512 1.00 0.00 H new ATOM 1195 N SER A 75 10.229 11.330 -2.040 1.00 0.00 N ATOM 1196 CA SER A 75 9.695 11.073 -3.405 1.00 0.00 C ATOM 1197 C SER A 75 8.405 10.261 -3.284 1.00 0.00 C ATOM 1198 O SER A 75 8.430 9.118 -2.872 1.00 0.00 O ATOM 1199 CB SER A 75 10.781 10.266 -4.116 1.00 0.00 C ATOM 1200 OG SER A 75 10.195 9.126 -4.732 1.00 0.00 O ATOM 0 H SER A 75 11.058 10.792 -1.786 1.00 0.00 H new ATOM 0 HA SER A 75 9.462 11.986 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.277 10.883 -4.865 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.545 9.956 -3.403 1.00 0.00 H new ATOM 0 HG SER A 75 10.852 8.697 -5.318 1.00 0.00 H new ATOM 1206 N PRO A 76 7.313 10.887 -3.624 1.00 0.00 N ATOM 1207 CA PRO A 76 5.997 10.214 -3.524 1.00 0.00 C ATOM 1208 C PRO A 76 5.966 8.960 -4.405 1.00 0.00 C ATOM 1209 O PRO A 76 6.030 9.039 -5.616 1.00 0.00 O ATOM 1210 CB PRO A 76 5.001 11.258 -4.031 1.00 0.00 C ATOM 1211 CG PRO A 76 5.733 12.564 -4.009 1.00 0.00 C ATOM 1212 CD PRO A 76 7.200 12.255 -4.132 1.00 0.00 C ATOM 0 HA PRO A 76 5.771 9.882 -2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.661 11.017 -5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.116 11.295 -3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.405 13.203 -4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.530 13.103 -3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.539 12.327 -5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.805 12.949 -3.549 1.00 0.00 H new ATOM 1220 N VAL A 77 5.859 7.805 -3.807 1.00 0.00 N ATOM 1221 CA VAL A 77 5.814 6.548 -4.613 1.00 0.00 C ATOM 1222 C VAL A 77 4.365 6.114 -4.851 1.00 0.00 C ATOM 1223 O VAL A 77 3.487 6.374 -4.052 1.00 0.00 O ATOM 1224 CB VAL A 77 6.546 5.499 -3.788 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.330 4.141 -4.443 1.00 0.00 C ATOM 1226 CG2 VAL A 77 8.042 5.812 -3.771 1.00 0.00 C ATOM 0 H VAL A 77 5.801 7.676 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 77 6.274 6.687 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 77 6.167 5.497 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.847 3.373 -3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.264 3.917 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.725 4.160 -5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.564 5.060 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.427 5.804 -4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.203 6.796 -3.330 1.00 0.00 H new ATOM 1236 N ASN A 78 4.116 5.445 -5.943 1.00 0.00 N ATOM 1237 CA ASN A 78 2.738 4.974 -6.248 1.00 0.00 C ATOM 1238 C ASN A 78 2.722 3.444 -6.223 1.00 0.00 C ATOM 1239 O ASN A 78 3.561 2.816 -6.837 1.00 0.00 O ATOM 1240 CB ASN A 78 2.460 5.483 -7.660 1.00 0.00 C ATOM 1241 CG ASN A 78 2.886 6.949 -7.771 1.00 0.00 C ATOM 1242 OD1 ASN A 78 2.133 7.839 -7.429 1.00 0.00 O ATOM 1243 ND2 ASN A 78 4.070 7.239 -8.237 1.00 0.00 N ATOM 0 H ASN A 78 4.817 5.203 -6.643 1.00 0.00 H new ATOM 0 HA ASN A 78 1.994 5.329 -5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.003 4.880 -8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.399 5.384 -7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.363 8.213 -8.314 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.702 6.492 -8.524 1.00 0.00 H new ATOM 1250 N ILE A 79 1.808 2.815 -5.526 1.00 0.00 N ATOM 1251 CA ILE A 79 1.846 1.326 -5.521 1.00 0.00 C ATOM 1252 C ILE A 79 0.642 0.723 -6.237 1.00 0.00 C ATOM 1253 O ILE A 79 -0.494 0.890 -5.841 1.00 0.00 O ATOM 1254 CB ILE A 79 1.863 0.922 -4.058 1.00 0.00 C ATOM 1255 CG1 ILE A 79 3.042 1.620 -3.367 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.024 -0.598 -3.971 1.00 0.00 C ATOM 1257 CD1 ILE A 79 4.348 0.896 -3.701 1.00 0.00 C ATOM 0 H ILE A 79 1.064 3.250 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 79 2.721 0.958 -6.056 1.00 0.00 H new ATOM 0 HB ILE A 79 0.935 1.214 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.100 2.659 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.888 1.630 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.038 -0.903 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.190 -1.082 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.959 -0.893 -4.447 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.179 1.398 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.290 -0.136 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.506 0.909 -4.779 1.00 0.00 H new ATOM 1269 N GLU A 80 0.910 0.001 -7.283 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.174 -0.659 -8.055 1.00 0.00 C ATOM 1271 C GLU A 80 -0.327 -2.104 -7.574 1.00 0.00 C ATOM 1272 O GLU A 80 0.513 -2.939 -7.838 1.00 0.00 O ATOM 1273 CB GLU A 80 0.309 -0.626 -9.506 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.717 -1.321 -10.402 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.380 -0.294 -11.319 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.111 0.883 -11.150 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -2.143 -0.704 -12.178 1.00 0.00 O ATOM 0 H GLU A 80 1.850 -0.163 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.141 -0.170 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.451 0.405 -9.830 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.276 -1.122 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.230 -2.093 -10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.471 -1.817 -9.791 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.376 -2.413 -6.857 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.534 -3.814 -6.367 1.00 0.00 C ATOM 1286 C ALA A 81 -2.919 -4.366 -6.702 1.00 0.00 C ATOM 1287 O ALA A 81 -3.866 -3.634 -6.892 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.327 -3.741 -4.850 1.00 0.00 C ATOM 0 H ALA A 81 -2.120 -1.767 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.819 -4.486 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.429 -4.738 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.330 -3.354 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.074 -3.079 -4.412 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.031 -5.664 -6.789 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.339 -6.291 -7.125 1.00 0.00 C ATOM 1296 C GLU A 82 -5.019 -6.825 -5.858 1.00 0.00 C ATOM 1297 O GLU A 82 -4.648 -7.862 -5.345 1.00 0.00 O ATOM 1298 CB GLU A 82 -3.973 -7.442 -8.057 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.247 -8.148 -8.528 1.00 0.00 C ATOM 1300 CD GLU A 82 -6.001 -7.246 -9.505 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -5.488 -6.182 -9.815 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -7.077 -7.632 -9.928 1.00 0.00 O ATOM 0 H GLU A 82 -2.265 -6.321 -6.640 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.036 -5.587 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.416 -7.065 -8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.324 -8.149 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.995 -9.093 -9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.881 -8.385 -7.673 1.00 0.00 H new ATOM 1309 N PRO A 83 -5.998 -6.094 -5.399 1.00 0.00 N ATOM 1310 CA PRO A 83 -6.745 -6.495 -4.181 1.00 0.00 C ATOM 1311 C PRO A 83 -7.746 -7.606 -4.508 1.00 0.00 C ATOM 1312 O PRO A 83 -8.227 -7.701 -5.620 1.00 0.00 O ATOM 1313 CB PRO A 83 -7.480 -5.219 -3.786 1.00 0.00 C ATOM 1314 CG PRO A 83 -7.659 -4.472 -5.069 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.497 -4.834 -5.960 1.00 0.00 C ATOM 0 HA PRO A 83 -6.101 -6.883 -3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.440 -5.443 -3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.905 -4.637 -3.066 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.604 -4.739 -5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.686 -3.397 -4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.812 -4.956 -6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.729 -4.060 -5.949 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.036 -8.404 -3.517 1.00 0.00 N ATOM 1324 CA PRO A 84 -9.002 -9.513 -3.697 1.00 0.00 C ATOM 1325 C PRO A 84 -10.416 -8.950 -3.865 1.00 0.00 C ATOM 1326 O PRO A 84 -10.903 -8.215 -3.027 1.00 0.00 O ATOM 1327 CB PRO A 84 -8.886 -10.319 -2.404 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.290 -9.382 -1.400 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.495 -8.349 -2.157 1.00 0.00 C ATOM 0 HA PRO A 84 -8.801 -10.119 -4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.862 -10.677 -2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.255 -11.197 -2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.072 -8.906 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.650 -9.923 -0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.614 -7.357 -1.721 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.429 -8.578 -2.143 1.00 0.00 H new ATOM 1387 N TYR A 89 -7.731 -4.187 2.659 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.039 -3.002 3.242 1.00 0.00 C ATOM 1389 C TYR A 89 -5.592 -2.949 2.753 1.00 0.00 C ATOM 1390 O TYR A 89 -4.748 -3.695 3.207 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.079 -3.206 4.758 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.449 -3.693 5.171 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -8.779 -5.047 5.039 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.387 -2.792 5.686 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -10.047 -5.500 5.421 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -10.656 -3.243 6.069 1.00 0.00 C ATOM 1397 CZ TYR A 89 -10.986 -4.597 5.936 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.236 -5.044 6.314 1.00 0.00 O ATOM 0 HA TYR A 89 -7.517 -2.067 2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.320 -3.929 5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.846 -2.270 5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.055 -5.743 4.642 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.132 -1.748 5.788 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.301 -6.545 5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.380 -2.547 6.467 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.765 -4.291 6.651 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.297 -2.070 1.837 1.00 0.00 N ATOM 1409 CA ILE A 90 -3.900 -1.972 1.329 1.00 0.00 C ATOM 1410 C ILE A 90 -3.017 -1.307 2.384 1.00 0.00 C ATOM 1411 O ILE A 90 -3.115 -0.122 2.633 1.00 0.00 O ATOM 1412 CB ILE A 90 -3.993 -1.102 0.075 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.566 -1.930 -1.078 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.599 -0.600 -0.304 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -6.060 -1.637 -1.225 1.00 0.00 C ATOM 0 H ILE A 90 -5.960 -1.417 1.419 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.463 -2.946 1.110 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.644 -0.251 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.045 -1.691 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.410 -2.992 -0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.666 0.020 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.189 -0.011 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.947 -1.451 -0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.467 -2.227 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.575 -1.898 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.204 -0.577 -1.433 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.161 -2.063 3.015 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.283 -1.472 4.061 1.00 0.00 C ATOM 1429 C ILE A 91 0.041 -1.014 3.451 1.00 0.00 C ATOM 1430 O ILE A 91 0.533 -1.589 2.499 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.050 -2.598 5.066 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.364 -2.925 5.779 1.00 0.00 C ATOM 1433 CG2 ILE A 91 -0.007 -2.156 6.093 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.347 -4.382 6.245 1.00 0.00 C ATOM 0 H ILE A 91 -2.033 -3.062 2.851 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.733 -0.596 4.527 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.691 -3.484 4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.501 -2.261 6.633 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.206 -2.758 5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.160 -2.959 6.811 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.929 -1.924 5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.365 -1.270 6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.284 -4.613 6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.230 -5.038 5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.515 -4.534 6.932 1.00 0.00 H new ATOM 1446 N ILE A 92 0.616 0.022 3.994 1.00 0.00 N ATOM 1447 CA ILE A 92 1.907 0.534 3.454 1.00 0.00 C ATOM 1448 C ILE A 92 2.881 0.789 4.607 1.00 0.00 C ATOM 1449 O ILE A 92 2.499 1.268 5.652 1.00 0.00 O ATOM 1450 CB ILE A 92 1.530 1.844 2.747 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.269 1.561 1.269 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.660 2.872 2.872 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.538 2.750 0.653 1.00 0.00 C ATOM 0 H ILE A 92 0.246 0.539 4.792 1.00 0.00 H new ATOM 0 HA ILE A 92 2.398 -0.165 2.777 1.00 0.00 H new ATOM 0 HB ILE A 92 0.634 2.250 3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.210 1.388 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.672 0.655 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.372 3.793 2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.846 3.082 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.566 2.474 2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.349 2.554 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.410 2.902 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.152 3.645 0.751 1.00 0.00 H new ATOM 1465 N GLY A 93 4.134 0.480 4.433 1.00 0.00 N ATOM 1466 CA GLY A 93 5.094 0.723 5.534 1.00 0.00 C ATOM 1467 C GLY A 93 5.015 -0.434 6.521 1.00 0.00 C ATOM 1468 O GLY A 93 4.530 -1.502 6.205 1.00 0.00 O ATOM 0 H GLY A 93 4.529 0.074 3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.106 0.813 5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.863 1.663 6.035 1.00 0.00 H new ATOM 1472 N VAL A 94 5.489 -0.238 7.708 1.00 0.00 N ATOM 1473 CA VAL A 94 5.446 -1.334 8.709 1.00 0.00 C ATOM 1474 C VAL A 94 4.688 -0.883 9.949 1.00 0.00 C ATOM 1475 O VAL A 94 4.686 0.284 10.284 1.00 0.00 O ATOM 1476 CB VAL A 94 6.910 -1.644 9.044 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.372 -2.812 8.172 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.795 -0.421 8.759 1.00 0.00 C ATOM 0 H VAL A 94 5.906 0.634 8.034 1.00 0.00 H new ATOM 0 HA VAL A 94 4.931 -2.216 8.328 1.00 0.00 H new ATOM 0 HB VAL A 94 6.993 -1.898 10.101 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.412 -3.045 8.398 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.752 -3.685 8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.282 -2.539 7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.831 -0.657 9.002 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.721 -0.156 7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.462 0.419 9.368 1.00 0.00 H new ATOM 1488 N GLU A 95 4.044 -1.813 10.620 1.00 0.00 N ATOM 1489 CA GLU A 95 3.258 -1.496 11.861 1.00 0.00 C ATOM 1490 C GLU A 95 3.643 -0.133 12.442 1.00 0.00 C ATOM 1491 O GLU A 95 2.804 0.731 12.581 1.00 0.00 O ATOM 1492 CB GLU A 95 3.615 -2.612 12.843 1.00 0.00 C ATOM 1493 CG GLU A 95 2.427 -3.563 12.990 1.00 0.00 C ATOM 1494 CD GLU A 95 2.400 -4.131 14.410 1.00 0.00 C ATOM 1495 OE1 GLU A 95 2.316 -3.345 15.339 1.00 0.00 O ATOM 1496 OE2 GLU A 95 2.465 -5.342 14.544 1.00 0.00 O ATOM 0 H GLU A 95 4.030 -2.798 10.354 1.00 0.00 H new ATOM 0 HA GLU A 95 2.189 -1.442 11.653 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.489 -3.158 12.487 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.877 -2.188 13.812 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.497 -3.035 12.781 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.504 -4.373 12.265 1.00 0.00 H new ATOM 1503 N PRO A 96 4.905 0.009 12.758 1.00 0.00 N ATOM 1504 CA PRO A 96 5.427 1.284 13.323 1.00 0.00 C ATOM 1505 C PRO A 96 5.037 2.503 12.465 1.00 0.00 C ATOM 1506 O PRO A 96 5.871 3.106 11.821 1.00 0.00 O ATOM 1507 CB PRO A 96 6.951 1.092 13.312 1.00 0.00 C ATOM 1508 CG PRO A 96 7.202 -0.150 12.517 1.00 0.00 C ATOM 1509 CD PRO A 96 5.969 -0.991 12.640 1.00 0.00 C ATOM 0 HA PRO A 96 5.019 1.484 14.314 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.450 1.951 12.863 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.339 0.992 14.326 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.404 0.092 11.474 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.074 -0.683 12.895 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.828 -1.631 11.769 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.010 -1.643 13.512 1.00 0.00 H new ATOM 1517 N GLY A 97 3.784 2.886 12.471 1.00 0.00 N ATOM 1518 CA GLY A 97 3.361 4.081 11.681 1.00 0.00 C ATOM 1519 C GLY A 97 2.956 3.680 10.259 1.00 0.00 C ATOM 1520 O GLY A 97 2.601 4.516 9.451 1.00 0.00 O ATOM 0 H GLY A 97 3.037 2.423 12.989 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.524 4.572 12.177 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.176 4.803 11.641 1.00 0.00 H new ATOM 1524 N GLN A 98 3.003 2.418 9.941 1.00 0.00 N ATOM 1525 CA GLN A 98 2.617 1.982 8.566 1.00 0.00 C ATOM 1526 C GLN A 98 1.272 2.612 8.165 1.00 0.00 C ATOM 1527 O GLN A 98 0.499 3.035 9.001 1.00 0.00 O ATOM 1528 CB GLN A 98 2.535 0.447 8.674 1.00 0.00 C ATOM 1529 CG GLN A 98 1.174 -0.081 8.201 1.00 0.00 C ATOM 1530 CD GLN A 98 1.019 -1.541 8.628 1.00 0.00 C ATOM 1531 OE1 GLN A 98 1.863 -2.432 8.184 1.00 0.00 O flip ATOM 1532 NE2 GLN A 98 0.120 -1.874 9.375 1.00 0.00 N flip ATOM 0 H GLN A 98 3.291 1.669 10.570 1.00 0.00 H new ATOM 0 HA GLN A 98 3.323 2.293 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.328 -0.003 8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.704 0.145 9.708 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.371 0.521 8.626 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.096 0.003 7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.539 -1.177 9.722 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.025 -2.850 9.655 1.00 0.00 H new ATOM 1541 N LEU A 99 0.992 2.672 6.888 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.298 3.268 6.431 1.00 0.00 C ATOM 1543 C LEU A 99 -1.341 2.170 6.197 1.00 0.00 C ATOM 1544 O LEU A 99 -1.060 0.994 6.326 1.00 0.00 O ATOM 1545 CB LEU A 99 0.038 3.972 5.117 1.00 0.00 C ATOM 1546 CG LEU A 99 0.472 5.408 5.403 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.892 6.080 4.096 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.695 6.181 6.021 1.00 0.00 C ATOM 0 H LEU A 99 1.601 2.334 6.143 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.719 3.952 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.834 3.437 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.830 3.968 4.458 1.00 0.00 H new ATOM 0 HG LEU A 99 1.312 5.403 6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.202 7.105 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.723 5.530 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.051 6.085 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.385 7.206 6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.535 6.187 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.997 5.701 6.952 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.544 2.547 5.852 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.611 1.530 5.611 1.00 0.00 C ATOM 1562 C LYS A 100 -4.706 2.108 4.708 1.00 0.00 C ATOM 1563 O LYS A 100 -5.107 3.246 4.853 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.171 1.215 6.994 1.00 0.00 C ATOM 1565 CG LYS A 100 -3.904 -0.253 7.330 1.00 0.00 C ATOM 1566 CD LYS A 100 -4.109 -0.480 8.829 1.00 0.00 C ATOM 1567 CE LYS A 100 -5.451 0.119 9.258 1.00 0.00 C ATOM 1568 NZ LYS A 100 -6.142 -0.975 9.995 1.00 0.00 N ATOM 0 H LYS A 100 -2.835 3.517 5.726 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.227 0.641 5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.708 1.860 7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.242 1.416 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.575 -0.895 6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.887 -0.523 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.087 -1.547 9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.297 -0.020 9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.308 0.994 9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.033 0.443 8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.071 -0.641 10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.270 -1.792 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.568 -1.258 10.815 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.193 1.332 3.779 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.265 1.833 2.868 1.00 0.00 C ATOM 1584 C LEU A 101 -7.287 0.724 2.601 1.00 0.00 C ATOM 1585 O LEU A 101 -6.962 -0.313 2.058 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.541 2.221 1.579 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.443 3.237 1.895 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.091 2.525 1.960 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.404 4.304 0.799 1.00 0.00 C ATOM 0 H LEU A 101 -4.895 0.371 3.610 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.812 2.674 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.109 1.336 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.248 2.644 0.866 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.652 3.709 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.309 3.250 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.117 1.765 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.882 2.052 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.621 5.028 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.196 3.832 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.367 4.813 0.752 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.518 0.930 2.984 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.556 -0.117 2.759 1.00 0.00 C ATOM 1603 C ASN A 102 -10.191 0.037 1.374 1.00 0.00 C ATOM 1604 O ASN A 102 -10.627 1.105 0.994 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.597 0.119 3.853 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.759 -0.859 3.671 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -11.557 -1.981 3.036 1.00 0.00 O flip ATOM 1608 ND2 ASN A 102 -12.861 -0.602 4.113 1.00 0.00 N flip ATOM 0 H ASN A 102 -8.850 1.778 3.443 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.136 -1.122 2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.145 -0.016 4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.961 1.145 3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -13.020 0.275 4.609 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -13.628 -1.263 3.988 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.255 -1.028 0.622 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.869 -0.952 -0.735 1.00 0.00 C ATOM 1617 C TRP A 103 -12.073 -1.897 -0.812 1.00 0.00 C ATOM 1618 O TRP A 103 -11.985 -3.058 -0.466 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.768 -1.403 -1.696 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.986 -0.775 -3.036 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.159 -1.455 -4.193 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.053 0.639 -3.380 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.329 -0.548 -5.223 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.272 0.755 -4.773 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -9.946 1.822 -2.626 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.382 1.998 -5.396 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.056 3.076 -3.251 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.273 3.163 -4.634 1.00 0.00 C ATOM 0 H TRP A 103 -9.908 -1.949 0.889 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.229 0.048 -0.975 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.791 -1.120 -1.305 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.772 -2.489 -1.787 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.164 -2.530 -4.295 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.478 -0.810 -6.197 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.778 1.766 -1.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.550 2.059 -6.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -9.973 3.978 -2.663 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.356 4.130 -5.109 1.00 0.00 H new