USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 770 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 70 LYS NZ :NH3+ 136:sc= 0.457 (180deg=-0.27) USER MOD Set 1.2: A 102 ASN : amide:sc= -0.77 K(o=-0.31,f=-3.4!) USER MOD Set 2.1: A 48 HIS : no HD1:sc= -1.67 X(o=-4.9,f=-5.2!) USER MOD Set 2.2: A 86 SER OG : rot 95:sc= -3.24! USER MOD Set 3.1: A 45 HIS : no HD1:sc= -0.703 X(o=-0.7,f=-1) USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 20 GLN : amide:sc= -3.37! C(o=-4.2!,f=-10!) USER MOD Set 4.2: A 66 LYS NZ :NH3+ 158:sc= -0.868 (180deg=-0.26) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -140:sc= -0.0759 USER MOD Single : A 25 MET CE :methyl 178:sc= 0 (180deg=-0.00453) USER MOD Single : A 27 THR OG1 : rot 150:sc= 0.0331 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.91! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 70:sc= -3.45 USER MOD Single : A 40 LYS NZ :NH3+ -118:sc= -1.13 (180deg=-2.76!) USER MOD Single : A 41 GLN : amide:sc= -2.12! K(o=-2.1!,f=-1.1) USER MOD Single : A 49 MET CE :methyl 142:sc= -0.637 (180deg=-1.58) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.416 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -134:sc= -0.593 (180deg=-2.69!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= -0.0318 (180deg=-0.0318) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -114:sc= -0.66 (180deg=-3.45!) USER MOD Single : A 88 LYS NZ :NH3+ 175:sc= 0.97 (180deg=0.947) USER MOD Single : A 91 ASN : amide:sc= -0.222 K(o=-0.22,f=-5.8!) USER MOD Single : A 92 GLN : amide:sc= -0.861 K(o=-0.86,f=-10!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 14.872 2.273 7.906 1.00 0.00 N ATOM 229 CA LEU A 12 13.676 2.640 7.156 1.00 0.00 C ATOM 230 C LEU A 12 13.445 4.147 7.202 1.00 0.00 C ATOM 231 O LEU A 12 13.832 4.830 8.151 1.00 0.00 O ATOM 232 CB LEU A 12 12.455 1.909 7.717 1.00 0.00 C ATOM 233 CG LEU A 12 12.289 0.451 7.286 1.00 0.00 C ATOM 234 CD1 LEU A 12 11.247 -0.246 8.147 1.00 0.00 C ATOM 235 CD2 LEU A 12 11.909 0.369 5.815 1.00 0.00 C ATOM 0 HA LEU A 12 13.824 2.345 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.505 1.942 8.805 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.561 2.458 7.422 1.00 0.00 H new ATOM 0 HG LEU A 12 13.243 -0.058 7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.143 -1.282 7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.561 -0.220 9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.289 0.264 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.795 -0.676 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.968 0.895 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.691 0.829 5.211 1.00 0.00 H new ATOM 247 N PRO A 13 12.798 4.679 6.155 1.00 0.00 N ATOM 248 CA PRO A 13 12.500 6.111 6.053 1.00 0.00 C ATOM 249 C PRO A 13 11.441 6.554 7.057 1.00 0.00 C ATOM 250 O PRO A 13 11.025 5.779 7.918 1.00 0.00 O ATOM 251 CB PRO A 13 11.977 6.264 4.622 1.00 0.00 C ATOM 252 CG PRO A 13 11.440 4.920 4.270 1.00 0.00 C ATOM 253 CD PRO A 13 12.309 3.925 4.989 1.00 0.00 C ATOM 0 HA PRO A 13 13.373 6.726 6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.202 7.028 4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.772 6.564 3.940 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.399 4.823 4.578 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.470 4.758 3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.745 3.042 5.289 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.130 3.580 4.360 1.00 0.00 H new ATOM 261 N ALA A 14 11.009 7.806 6.940 1.00 0.00 N ATOM 262 CA ALA A 14 9.997 8.351 7.836 1.00 0.00 C ATOM 263 C ALA A 14 8.603 8.228 7.230 1.00 0.00 C ATOM 264 O ALA A 14 8.439 7.708 6.126 1.00 0.00 O ATOM 265 CB ALA A 14 10.306 9.805 8.159 1.00 0.00 C ATOM 0 H ALA A 14 11.344 8.461 6.234 1.00 0.00 H new ATOM 0 HA ALA A 14 10.016 7.772 8.759 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.542 10.199 8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.281 9.871 8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.317 10.388 7.238 1.00 0.00 H new ATOM 271 N LEU A 15 7.601 8.707 7.959 1.00 0.00 N ATOM 272 CA LEU A 15 6.220 8.649 7.493 1.00 0.00 C ATOM 273 C LEU A 15 6.005 9.586 6.309 1.00 0.00 C ATOM 274 O LEU A 15 6.629 10.644 6.220 1.00 0.00 O ATOM 275 CB LEU A 15 5.262 9.016 8.629 1.00 0.00 C ATOM 276 CG LEU A 15 3.791 8.666 8.405 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.649 7.225 7.942 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.988 8.902 9.676 1.00 0.00 C ATOM 0 H LEU A 15 7.719 9.140 8.875 1.00 0.00 H new ATOM 0 HA LEU A 15 6.015 7.629 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.599 8.517 9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.336 10.089 8.808 1.00 0.00 H new ATOM 0 HG LEU A 15 3.397 9.316 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.595 6.995 7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.191 7.088 7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.059 6.557 8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.943 8.648 9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.383 8.277 10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.062 9.951 9.964 1.00 0.00 H new ATOM 290 N TYR A 16 5.118 9.191 5.403 1.00 0.00 N ATOM 291 CA TYR A 16 4.821 9.995 4.224 1.00 0.00 C ATOM 292 C TYR A 16 6.093 10.305 3.440 1.00 0.00 C ATOM 293 O TYR A 16 6.172 11.309 2.733 1.00 0.00 O ATOM 294 CB TYR A 16 4.128 11.297 4.629 1.00 0.00 C ATOM 295 CG TYR A 16 2.763 11.090 5.246 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.853 10.202 4.686 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.384 11.783 6.389 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.604 10.011 5.247 1.00 0.00 C ATOM 299 CE2 TYR A 16 1.139 11.597 6.957 1.00 0.00 C ATOM 300 CZ TYR A 16 0.252 10.710 6.382 1.00 0.00 C ATOM 301 OH TYR A 16 -0.990 10.522 6.945 1.00 0.00 O ATOM 0 H TYR A 16 4.592 8.319 5.462 1.00 0.00 H new ATOM 0 HA TYR A 16 4.153 9.420 3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.761 11.830 5.338 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.027 11.934 3.750 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.126 9.652 3.798 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.075 12.479 6.841 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.092 9.318 4.799 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.861 12.143 7.846 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.078 11.089 7.739 1.00 0.00 H new ATOM 311 N THR A 17 7.088 9.432 3.572 1.00 0.00 N ATOM 312 CA THR A 17 8.357 9.612 2.879 1.00 0.00 C ATOM 313 C THR A 17 8.345 8.918 1.521 1.00 0.00 C ATOM 314 O THR A 17 7.936 7.762 1.408 1.00 0.00 O ATOM 315 CB THR A 17 9.533 9.066 3.710 1.00 0.00 C ATOM 316 OG1 THR A 17 9.714 9.863 4.885 1.00 0.00 O ATOM 317 CG2 THR A 17 10.817 9.060 2.893 1.00 0.00 C ATOM 0 H THR A 17 7.039 8.594 4.152 1.00 0.00 H new ATOM 0 HA THR A 17 8.489 10.684 2.736 1.00 0.00 H new ATOM 0 HB THR A 17 9.300 8.041 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.672 9.986 5.052 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.633 8.670 3.501 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.686 8.429 2.014 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.053 10.077 2.578 1.00 0.00 H new ATOM 325 N ILE A 18 8.795 9.630 0.493 1.00 0.00 N ATOM 326 CA ILE A 18 8.837 9.082 -0.856 1.00 0.00 C ATOM 327 C ILE A 18 10.248 8.636 -1.224 1.00 0.00 C ATOM 328 O ILE A 18 11.226 9.314 -0.912 1.00 0.00 O ATOM 329 CB ILE A 18 8.346 10.107 -1.896 1.00 0.00 C ATOM 330 CG1 ILE A 18 6.834 10.304 -1.775 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.717 9.655 -3.300 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.310 11.469 -2.585 1.00 0.00 C ATOM 0 H ILE A 18 9.136 10.588 0.569 1.00 0.00 H new ATOM 0 HA ILE A 18 8.171 8.219 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 18 8.834 11.062 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.330 9.393 -2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.578 10.457 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.364 10.389 -4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.800 9.561 -3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.254 8.690 -3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.231 11.549 -2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.786 12.390 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.534 11.309 -3.640 1.00 0.00 H new ATOM 344 N PHE A 19 10.344 7.490 -1.892 1.00 0.00 N ATOM 345 CA PHE A 19 11.635 6.953 -2.304 1.00 0.00 C ATOM 346 C PHE A 19 11.484 6.046 -3.522 1.00 0.00 C ATOM 347 O PHE A 19 10.380 5.616 -3.854 1.00 0.00 O ATOM 348 CB PHE A 19 12.281 6.177 -1.154 1.00 0.00 C ATOM 349 CG PHE A 19 11.320 5.286 -0.420 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.970 4.048 -0.935 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.766 5.687 0.785 1.00 0.00 C ATOM 352 CE1 PHE A 19 10.086 3.225 -0.261 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.882 4.869 1.463 1.00 0.00 C ATOM 354 CZ PHE A 19 9.541 3.637 0.939 1.00 0.00 C ATOM 0 H PHE A 19 9.544 6.917 -2.159 1.00 0.00 H new ATOM 0 HA PHE A 19 12.278 7.791 -2.574 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.097 5.572 -1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.719 6.884 -0.450 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.393 3.722 -1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 19 11.028 6.649 1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.822 2.262 -0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.458 5.193 2.402 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.849 2.997 1.467 1.00 0.00 H new ATOM 364 N GLN A 20 12.601 5.762 -4.184 1.00 0.00 N ATOM 365 CA GLN A 20 12.591 4.908 -5.365 1.00 0.00 C ATOM 366 C GLN A 20 12.990 3.480 -5.009 1.00 0.00 C ATOM 367 O GLN A 20 14.085 3.239 -4.502 1.00 0.00 O ATOM 368 CB GLN A 20 13.540 5.463 -6.430 1.00 0.00 C ATOM 369 CG GLN A 20 13.107 5.151 -7.853 1.00 0.00 C ATOM 370 CD GLN A 20 14.220 5.361 -8.861 1.00 0.00 C ATOM 371 OE1 GLN A 20 15.387 5.505 -8.494 1.00 0.00 O ATOM 372 NE2 GLN A 20 13.866 5.377 -10.140 1.00 0.00 N ATOM 0 H GLN A 20 13.523 6.111 -3.923 1.00 0.00 H new ATOM 0 HA GLN A 20 11.576 4.894 -5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.614 6.544 -6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.537 5.055 -6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.764 4.118 -7.906 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.259 5.782 -8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.887 5.254 -10.400 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.573 5.512 -10.863 1.00 0.00 H new ATOM 381 N GLY A 21 12.094 2.535 -5.277 1.00 0.00 N ATOM 382 CA GLY A 21 12.370 1.143 -4.976 1.00 0.00 C ATOM 383 C GLY A 21 12.062 0.226 -6.143 1.00 0.00 C ATOM 384 O GLY A 21 11.346 0.608 -7.067 1.00 0.00 O ATOM 0 H GLY A 21 11.181 2.709 -5.698 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.419 1.035 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.780 0.837 -4.112 1.00 0.00 H new ATOM 388 N GLU A 22 12.608 -0.986 -6.101 1.00 0.00 N ATOM 389 CA GLU A 22 12.388 -1.958 -7.165 1.00 0.00 C ATOM 390 C GLU A 22 11.489 -3.095 -6.687 1.00 0.00 C ATOM 391 O GLU A 22 11.599 -3.553 -5.550 1.00 0.00 O ATOM 392 CB GLU A 22 13.724 -2.523 -7.654 1.00 0.00 C ATOM 393 CG GLU A 22 13.579 -3.745 -8.546 1.00 0.00 C ATOM 394 CD GLU A 22 14.915 -4.361 -8.911 1.00 0.00 C ATOM 395 OE1 GLU A 22 15.774 -3.638 -9.456 1.00 0.00 O ATOM 396 OE2 GLU A 22 15.101 -5.569 -8.652 1.00 0.00 O ATOM 0 H GLU A 22 13.205 -1.317 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 22 11.892 -1.448 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.259 -1.746 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.336 -2.784 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.966 -4.490 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.051 -3.465 -9.457 1.00 0.00 H new ATOM 403 N VAL A 23 10.597 -3.544 -7.565 1.00 0.00 N ATOM 404 CA VAL A 23 9.678 -4.627 -7.235 1.00 0.00 C ATOM 405 C VAL A 23 10.427 -5.938 -7.019 1.00 0.00 C ATOM 406 O VAL A 23 11.292 -6.307 -7.813 1.00 0.00 O ATOM 407 CB VAL A 23 8.625 -4.826 -8.339 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.896 -6.148 -8.151 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.642 -3.665 -8.353 1.00 0.00 C ATOM 0 H VAL A 23 10.492 -3.174 -8.510 1.00 0.00 H new ATOM 0 HA VAL A 23 9.175 -4.343 -6.311 1.00 0.00 H new ATOM 0 HB VAL A 23 9.135 -4.853 -9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.155 -6.271 -8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.613 -6.968 -8.195 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.397 -6.154 -7.182 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.904 -3.822 -9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.137 -3.604 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.180 -2.735 -8.540 1.00 0.00 H new ATOM 419 N ALA A 24 10.088 -6.636 -5.940 1.00 0.00 N ATOM 420 CA ALA A 24 10.727 -7.907 -5.622 1.00 0.00 C ATOM 421 C ALA A 24 9.714 -9.048 -5.630 1.00 0.00 C ATOM 422 O ALA A 24 10.075 -10.210 -5.810 1.00 0.00 O ATOM 423 CB ALA A 24 11.421 -7.825 -4.271 1.00 0.00 C ATOM 0 H ALA A 24 9.375 -6.343 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 24 11.473 -8.113 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.894 -8.781 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.179 -7.043 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.688 -7.593 -3.499 1.00 0.00 H new ATOM 429 N MET A 25 8.444 -8.707 -5.434 1.00 0.00 N ATOM 430 CA MET A 25 7.379 -9.703 -5.418 1.00 0.00 C ATOM 431 C MET A 25 6.082 -9.121 -5.972 1.00 0.00 C ATOM 432 O MET A 25 5.744 -7.968 -5.703 1.00 0.00 O ATOM 433 CB MET A 25 7.155 -10.218 -3.996 1.00 0.00 C ATOM 434 CG MET A 25 6.367 -11.518 -3.938 1.00 0.00 C ATOM 435 SD MET A 25 6.499 -12.339 -2.338 1.00 0.00 S ATOM 436 CE MET A 25 4.822 -12.929 -2.121 1.00 0.00 C ATOM 0 H MET A 25 8.128 -7.749 -5.284 1.00 0.00 H new ATOM 0 HA MET A 25 7.683 -10.535 -6.053 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.122 -10.367 -3.516 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.627 -9.457 -3.421 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.318 -11.312 -4.151 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.725 -12.190 -4.718 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.752 -13.491 -1.189 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.139 -12.080 -2.085 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.553 -13.576 -2.956 1.00 0.00 H new ATOM 446 N VAL A 26 5.362 -9.925 -6.748 1.00 0.00 N ATOM 447 CA VAL A 26 4.102 -9.489 -7.338 1.00 0.00 C ATOM 448 C VAL A 26 2.959 -10.415 -6.938 1.00 0.00 C ATOM 449 O VAL A 26 3.018 -11.625 -7.160 1.00 0.00 O ATOM 450 CB VAL A 26 4.191 -9.437 -8.875 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.853 -9.034 -9.474 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.290 -8.478 -9.311 1.00 0.00 C ATOM 0 H VAL A 26 5.630 -10.881 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 26 3.904 -8.487 -6.958 1.00 0.00 H new ATOM 0 HB VAL A 26 4.441 -10.433 -9.242 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.935 -9.003 -10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.093 -9.761 -9.189 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.570 -8.049 -9.103 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.340 -8.453 -10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.071 -7.479 -8.934 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.247 -8.815 -8.912 1.00 0.00 H new ATOM 462 N THR A 27 1.916 -9.838 -6.348 1.00 0.00 N ATOM 463 CA THR A 27 0.758 -10.612 -5.917 1.00 0.00 C ATOM 464 C THR A 27 -0.539 -9.982 -6.413 1.00 0.00 C ATOM 465 O THR A 27 -0.565 -8.814 -6.797 1.00 0.00 O ATOM 466 CB THR A 27 0.703 -10.731 -4.382 1.00 0.00 C ATOM 467 OG1 THR A 27 0.538 -9.436 -3.795 1.00 0.00 O ATOM 468 CG2 THR A 27 1.970 -11.379 -3.844 1.00 0.00 C ATOM 0 H THR A 27 1.850 -8.838 -6.158 1.00 0.00 H new ATOM 0 HA THR A 27 0.864 -11.607 -6.348 1.00 0.00 H new ATOM 0 HB THR A 27 -0.148 -11.359 -4.119 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.045 -9.519 -2.952 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.908 -11.452 -2.758 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.077 -12.377 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.833 -10.773 -4.118 1.00 0.00 H new ATOM 476 N ASP A 28 -1.612 -10.764 -6.400 1.00 0.00 N ATOM 477 CA ASP A 28 -2.914 -10.283 -6.847 1.00 0.00 C ATOM 478 C ASP A 28 -3.514 -9.317 -5.831 1.00 0.00 C ATOM 479 O ASP A 28 -4.608 -8.790 -6.032 1.00 0.00 O ATOM 480 CB ASP A 28 -3.866 -11.458 -7.075 1.00 0.00 C ATOM 481 CG ASP A 28 -4.981 -11.120 -8.044 1.00 0.00 C ATOM 482 OD1 ASP A 28 -4.756 -10.278 -8.938 1.00 0.00 O ATOM 483 OD2 ASP A 28 -6.080 -11.698 -7.909 1.00 0.00 O ATOM 0 H ASP A 28 -1.606 -11.734 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.773 -9.752 -7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.303 -12.309 -7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.297 -11.763 -6.121 1.00 0.00 H new ATOM 488 N TYR A 29 -2.791 -9.089 -4.740 1.00 0.00 N ATOM 489 CA TYR A 29 -3.254 -8.188 -3.691 1.00 0.00 C ATOM 490 C TYR A 29 -2.297 -7.012 -3.522 1.00 0.00 C ATOM 491 O TYR A 29 -2.448 -6.201 -2.609 1.00 0.00 O ATOM 492 CB TYR A 29 -3.392 -8.943 -2.368 1.00 0.00 C ATOM 493 CG TYR A 29 -2.172 -9.757 -2.004 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.016 -9.144 -1.537 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.174 -11.142 -2.127 1.00 0.00 C ATOM 496 CE1 TYR A 29 0.102 -9.885 -1.205 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.061 -11.890 -1.796 1.00 0.00 C ATOM 498 CZ TYR A 29 0.074 -11.257 -1.336 1.00 0.00 C ATOM 499 OH TYR A 29 1.185 -11.999 -1.005 1.00 0.00 O ATOM 0 H TYR A 29 -1.882 -9.516 -4.559 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.229 -7.799 -3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.592 -8.227 -1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.256 -9.605 -2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.991 -8.069 -1.432 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.061 -11.641 -2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.993 -9.392 -0.845 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.080 -12.965 -1.897 1.00 0.00 H new ATOM 0 HH TYR A 29 1.000 -12.950 -1.154 1.00 0.00 H new ATOM 509 N GLY A 30 -1.311 -6.927 -4.409 1.00 0.00 N ATOM 510 CA GLY A 30 -0.344 -5.847 -4.342 1.00 0.00 C ATOM 511 C GLY A 30 1.046 -6.287 -4.758 1.00 0.00 C ATOM 512 O GLY A 30 1.219 -7.367 -5.321 1.00 0.00 O ATOM 0 H GLY A 30 -1.164 -7.587 -5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.671 -5.030 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.309 -5.457 -3.325 1.00 0.00 H new ATOM 516 N ALA A 31 2.038 -5.447 -4.481 1.00 0.00 N ATOM 517 CA ALA A 31 3.419 -5.756 -4.830 1.00 0.00 C ATOM 518 C ALA A 31 4.379 -5.287 -3.740 1.00 0.00 C ATOM 519 O ALA A 31 4.117 -4.301 -3.052 1.00 0.00 O ATOM 520 CB ALA A 31 3.781 -5.120 -6.164 1.00 0.00 C ATOM 0 H ALA A 31 1.911 -4.548 -4.016 1.00 0.00 H new ATOM 0 HA ALA A 31 3.512 -6.838 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.815 -5.359 -6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.122 -5.506 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.665 -4.038 -6.095 1.00 0.00 H new ATOM 526 N PHE A 32 5.488 -6.002 -3.588 1.00 0.00 N ATOM 527 CA PHE A 32 6.486 -5.660 -2.581 1.00 0.00 C ATOM 528 C PHE A 32 7.602 -4.814 -3.187 1.00 0.00 C ATOM 529 O PHE A 32 8.237 -5.213 -4.162 1.00 0.00 O ATOM 530 CB PHE A 32 7.072 -6.930 -1.961 1.00 0.00 C ATOM 531 CG PHE A 32 6.087 -7.699 -1.126 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.064 -8.418 -1.724 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.184 -7.703 0.256 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.157 -9.127 -0.960 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.281 -8.410 1.025 1.00 0.00 C ATOM 536 CZ PHE A 32 4.265 -9.122 0.417 1.00 0.00 C ATOM 0 H PHE A 32 5.719 -6.822 -4.149 1.00 0.00 H new ATOM 0 HA PHE A 32 5.995 -5.077 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.443 -7.575 -2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.929 -6.661 -1.343 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.975 -8.424 -2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.975 -7.147 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.365 -9.684 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.369 -8.406 2.101 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.557 -9.674 1.017 1.00 0.00 H new ATOM 546 N ILE A 33 7.835 -3.645 -2.599 1.00 0.00 N ATOM 547 CA ILE A 33 8.874 -2.744 -3.080 1.00 0.00 C ATOM 548 C ILE A 33 10.075 -2.740 -2.141 1.00 0.00 C ATOM 549 O ILE A 33 9.928 -2.608 -0.925 1.00 0.00 O ATOM 550 CB ILE A 33 8.348 -1.304 -3.227 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.101 -1.282 -4.115 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.428 -0.400 -3.800 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.334 -1.851 -5.497 1.00 0.00 C ATOM 0 H ILE A 33 7.319 -3.300 -1.790 1.00 0.00 H new ATOM 0 HA ILE A 33 9.181 -3.111 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 33 8.076 -0.930 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.307 -1.848 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.749 -0.255 -4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.040 0.614 -3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.290 -0.396 -3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.729 -0.769 -4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.408 -1.804 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.105 -1.271 -6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.656 -2.889 -5.414 1.00 0.00 H new ATOM 565 N LYS A 34 11.267 -2.883 -2.711 1.00 0.00 N ATOM 566 CA LYS A 34 12.496 -2.893 -1.927 1.00 0.00 C ATOM 567 C LYS A 34 13.014 -1.474 -1.711 1.00 0.00 C ATOM 568 O LYS A 34 13.213 -0.724 -2.667 1.00 0.00 O ATOM 569 CB LYS A 34 13.564 -3.737 -2.626 1.00 0.00 C ATOM 570 CG LYS A 34 13.205 -5.209 -2.728 1.00 0.00 C ATOM 571 CD LYS A 34 14.387 -6.039 -3.200 1.00 0.00 C ATOM 572 CE LYS A 34 14.662 -5.827 -4.681 1.00 0.00 C ATOM 573 NZ LYS A 34 16.074 -6.142 -5.034 1.00 0.00 N ATOM 0 H LYS A 34 11.408 -2.994 -3.715 1.00 0.00 H new ATOM 0 HA LYS A 34 12.274 -3.332 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.729 -3.342 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.505 -3.638 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.870 -5.571 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.372 -5.334 -3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.273 -5.774 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.189 -7.095 -3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.992 -6.455 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.443 -4.793 -4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.221 -5.985 -6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.713 -5.525 -4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.276 -7.136 -4.805 1.00 0.00 H new ATOM 587 N ILE A 35 13.233 -1.115 -0.450 1.00 0.00 N ATOM 588 CA ILE A 35 13.731 0.212 -0.111 1.00 0.00 C ATOM 589 C ILE A 35 15.254 0.258 -0.168 1.00 0.00 C ATOM 590 O ILE A 35 15.947 -0.636 0.318 1.00 0.00 O ATOM 591 CB ILE A 35 13.268 0.644 1.294 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.740 0.670 1.365 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.843 2.008 1.645 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.200 0.619 2.778 1.00 0.00 C ATOM 0 H ILE A 35 13.073 -1.724 0.352 1.00 0.00 H new ATOM 0 HA ILE A 35 13.321 0.902 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 35 13.635 -0.081 2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.377 1.575 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.344 -0.175 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.507 2.299 2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.932 1.959 1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.503 2.745 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.111 0.641 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.533 -0.299 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.567 1.479 3.339 1.00 0.00 H new ATOM 606 N PRO A 36 15.790 1.328 -0.775 1.00 0.00 N ATOM 607 CA PRO A 36 17.238 1.519 -0.909 1.00 0.00 C ATOM 608 C PRO A 36 17.909 1.818 0.427 1.00 0.00 C ATOM 609 O PRO A 36 17.469 2.694 1.171 1.00 0.00 O ATOM 610 CB PRO A 36 17.351 2.724 -1.846 1.00 0.00 C ATOM 611 CG PRO A 36 16.075 3.471 -1.658 1.00 0.00 C ATOM 612 CD PRO A 36 15.025 2.433 -1.376 1.00 0.00 C ATOM 0 HA PRO A 36 17.735 0.623 -1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 36 18.213 3.342 -1.594 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.477 2.410 -2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.155 4.179 -0.833 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.825 4.047 -2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.261 2.809 -0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.515 2.120 -2.287 1.00 0.00 H new ATOM 620 N GLY A 37 18.977 1.084 0.725 1.00 0.00 N ATOM 621 CA GLY A 37 19.692 1.287 1.971 1.00 0.00 C ATOM 622 C GLY A 37 18.942 0.733 3.166 1.00 0.00 C ATOM 623 O GLY A 37 19.152 1.172 4.298 1.00 0.00 O ATOM 0 H GLY A 37 19.359 0.353 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.670 0.810 1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.866 2.353 2.117 1.00 0.00 H new ATOM 627 N CYS A 38 18.065 -0.232 2.916 1.00 0.00 N ATOM 628 CA CYS A 38 17.278 -0.846 3.981 1.00 0.00 C ATOM 629 C CYS A 38 17.308 -2.367 3.872 1.00 0.00 C ATOM 630 O CYS A 38 17.747 -2.918 2.862 1.00 0.00 O ATOM 631 CB CYS A 38 15.834 -0.346 3.929 1.00 0.00 C ATOM 632 SG CYS A 38 14.987 -0.371 5.527 1.00 0.00 S ATOM 0 H CYS A 38 17.880 -0.607 1.986 1.00 0.00 H new ATOM 0 HA CYS A 38 17.719 -0.561 4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.827 0.673 3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.274 -0.959 3.223 1.00 0.00 H new ATOM 0 HG CYS A 38 15.495 0.541 6.302 1.00 0.00 H new ATOM 638 N ARG A 39 16.840 -3.039 4.918 1.00 0.00 N ATOM 639 CA ARG A 39 16.815 -4.496 4.939 1.00 0.00 C ATOM 640 C ARG A 39 15.381 -5.017 4.890 1.00 0.00 C ATOM 641 O ARG A 39 15.140 -6.173 4.541 1.00 0.00 O ATOM 642 CB ARG A 39 17.515 -5.021 6.194 1.00 0.00 C ATOM 643 CG ARG A 39 18.910 -4.452 6.396 1.00 0.00 C ATOM 644 CD ARG A 39 19.952 -5.249 5.628 1.00 0.00 C ATOM 645 NE ARG A 39 21.154 -4.462 5.359 1.00 0.00 N ATOM 646 CZ ARG A 39 22.250 -4.963 4.799 1.00 0.00 C ATOM 647 NH1 ARG A 39 22.295 -6.241 4.450 1.00 0.00 N ATOM 648 NH2 ARG A 39 23.302 -4.183 4.586 1.00 0.00 N ATOM 0 H ARG A 39 16.473 -2.598 5.762 1.00 0.00 H new ATOM 0 HA ARG A 39 17.345 -4.855 4.057 1.00 0.00 H new ATOM 0 HB2 ARG A 39 16.905 -4.784 7.066 1.00 0.00 H new ATOM 0 HB3 ARG A 39 17.580 -6.108 6.136 1.00 0.00 H new ATOM 0 HG2 ARG A 39 18.931 -3.413 6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 39 19.156 -4.457 7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 39 20.221 -6.138 6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 39 19.524 -5.592 4.686 1.00 0.00 H new ATOM 0 HE ARG A 39 21.151 -3.475 5.615 1.00 0.00 H new ATOM 0 HH11 ARG A 39 21.487 -6.842 4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 39 23.138 -6.623 4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 39 23.269 -3.199 4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 39 24.143 -4.568 4.156 1.00 0.00 H new ATOM 662 N LYS A 40 14.432 -4.156 5.241 1.00 0.00 N ATOM 663 CA LYS A 40 13.022 -4.527 5.236 1.00 0.00 C ATOM 664 C LYS A 40 12.319 -3.976 4.000 1.00 0.00 C ATOM 665 O LYS A 40 12.711 -2.940 3.463 1.00 0.00 O ATOM 666 CB LYS A 40 12.333 -4.010 6.501 1.00 0.00 C ATOM 667 CG LYS A 40 10.924 -4.544 6.688 1.00 0.00 C ATOM 668 CD LYS A 40 10.932 -6.000 7.126 1.00 0.00 C ATOM 669 CE LYS A 40 11.682 -6.183 8.437 1.00 0.00 C ATOM 670 NZ LYS A 40 13.130 -6.454 8.213 1.00 0.00 N ATOM 0 H LYS A 40 14.614 -3.196 5.533 1.00 0.00 H new ATOM 0 HA LYS A 40 12.958 -5.615 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.934 -4.282 7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.298 -2.921 6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.402 -3.942 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.370 -4.447 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.907 -6.353 7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.395 -6.612 6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.570 -5.287 9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.240 -7.008 8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.370 -7.393 8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.334 -6.428 7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.698 -5.731 8.699 1.00 0.00 H new ATOM 684 N GLN A 41 11.278 -4.673 3.556 1.00 0.00 N ATOM 685 CA GLN A 41 10.521 -4.251 2.384 1.00 0.00 C ATOM 686 C GLN A 41 9.067 -3.967 2.748 1.00 0.00 C ATOM 687 O GLN A 41 8.539 -4.519 3.712 1.00 0.00 O ATOM 688 CB GLN A 41 10.586 -5.323 1.295 1.00 0.00 C ATOM 689 CG GLN A 41 11.999 -5.788 0.983 1.00 0.00 C ATOM 690 CD GLN A 41 12.031 -7.138 0.295 1.00 0.00 C ATOM 691 OE1 GLN A 41 12.483 -8.130 0.867 1.00 0.00 O ATOM 692 NE2 GLN A 41 11.548 -7.184 -0.942 1.00 0.00 N ATOM 0 H GLN A 41 10.940 -5.532 3.990 1.00 0.00 H new ATOM 0 HA GLN A 41 10.968 -3.332 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.990 -6.181 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.132 -4.932 0.385 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.488 -5.049 0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.572 -5.843 1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.183 -6.338 -1.379 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.542 -8.066 -1.455 1.00 0.00 H new ATOM 701 N GLY A 42 8.425 -3.102 1.970 1.00 0.00 N ATOM 702 CA GLY A 42 7.038 -2.759 2.227 1.00 0.00 C ATOM 703 C GLY A 42 6.102 -3.292 1.161 1.00 0.00 C ATOM 704 O GLY A 42 6.484 -3.424 -0.002 1.00 0.00 O ATOM 0 H GLY A 42 8.840 -2.632 1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.742 -3.157 3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.940 -1.675 2.284 1.00 0.00 H new ATOM 708 N LEU A 43 4.872 -3.601 1.557 1.00 0.00 N ATOM 709 CA LEU A 43 3.878 -4.125 0.627 1.00 0.00 C ATOM 710 C LEU A 43 2.929 -3.024 0.166 1.00 0.00 C ATOM 711 O LEU A 43 2.524 -2.169 0.955 1.00 0.00 O ATOM 712 CB LEU A 43 3.084 -5.257 1.281 1.00 0.00 C ATOM 713 CG LEU A 43 1.756 -5.618 0.615 1.00 0.00 C ATOM 714 CD1 LEU A 43 1.995 -6.444 -0.639 1.00 0.00 C ATOM 715 CD2 LEU A 43 0.858 -6.369 1.587 1.00 0.00 C ATOM 0 H LEU A 43 4.539 -3.498 2.516 1.00 0.00 H new ATOM 0 HA LEU A 43 4.404 -4.515 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.711 -6.148 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.885 -4.983 2.317 1.00 0.00 H new ATOM 0 HG LEU A 43 1.254 -4.695 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.039 -6.692 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.599 -5.871 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.519 -7.363 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.083 -6.618 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.354 -7.286 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.659 -5.742 2.456 1.00 0.00 H new ATOM 727 N VAL A 44 2.577 -3.049 -1.115 1.00 0.00 N ATOM 728 CA VAL A 44 1.673 -2.055 -1.680 1.00 0.00 C ATOM 729 C VAL A 44 0.356 -2.690 -2.111 1.00 0.00 C ATOM 730 O VAL A 44 0.282 -3.350 -3.148 1.00 0.00 O ATOM 731 CB VAL A 44 2.307 -1.343 -2.891 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.272 -0.494 -3.614 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.492 -0.496 -2.451 1.00 0.00 C ATOM 0 H VAL A 44 2.905 -3.748 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 44 1.480 -1.322 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 44 2.670 -2.100 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.738 0.001 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.460 -1.131 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.876 0.257 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.927 -0.001 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.157 0.254 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.242 -1.134 -1.984 1.00 0.00 H new ATOM 743 N HIS A 45 -0.683 -2.487 -1.306 1.00 0.00 N ATOM 744 CA HIS A 45 -2.000 -3.040 -1.604 1.00 0.00 C ATOM 745 C HIS A 45 -2.408 -2.727 -3.041 1.00 0.00 C ATOM 746 O HIS A 45 -1.985 -1.721 -3.611 1.00 0.00 O ATOM 747 CB HIS A 45 -3.041 -2.484 -0.633 1.00 0.00 C ATOM 748 CG HIS A 45 -4.183 -3.419 -0.380 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.429 -2.992 0.029 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.263 -4.767 -0.479 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.226 -4.036 0.170 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.542 -5.125 -0.132 1.00 0.00 N ATOM 0 H HIS A 45 -0.638 -1.944 -0.443 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.948 -4.122 -1.488 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.555 -2.253 0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.431 -1.546 -1.029 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.469 -5.436 -0.776 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.260 -4.005 0.479 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.905 -6.078 -0.111 1.00 0.00 H new ATOM 760 N ARG A 46 -3.231 -3.595 -3.619 1.00 0.00 N ATOM 761 CA ARG A 46 -3.695 -3.411 -4.989 1.00 0.00 C ATOM 762 C ARG A 46 -4.459 -2.099 -5.134 1.00 0.00 C ATOM 763 O ARG A 46 -4.396 -1.442 -6.173 1.00 0.00 O ATOM 764 CB ARG A 46 -4.586 -4.582 -5.409 1.00 0.00 C ATOM 765 CG ARG A 46 -5.785 -4.791 -4.498 1.00 0.00 C ATOM 766 CD ARG A 46 -6.956 -5.405 -5.251 1.00 0.00 C ATOM 767 NE ARG A 46 -8.052 -5.767 -4.357 1.00 0.00 N ATOM 768 CZ ARG A 46 -7.995 -6.776 -3.495 1.00 0.00 C ATOM 769 NH1 ARG A 46 -6.900 -7.519 -3.411 1.00 0.00 N ATOM 770 NH2 ARG A 46 -9.035 -7.043 -2.715 1.00 0.00 N ATOM 0 H ARG A 46 -3.590 -4.432 -3.161 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.821 -3.375 -5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.938 -4.413 -6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.989 -5.494 -5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.504 -5.440 -3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.088 -3.836 -4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.316 -4.699 -5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.617 -6.292 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.909 -5.215 -4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.099 -7.316 -4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.859 -8.293 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.879 -6.473 -2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.991 -7.818 -2.053 1.00 0.00 H new ATOM 784 N THR A 47 -5.182 -1.721 -4.083 1.00 0.00 N ATOM 785 CA THR A 47 -5.959 -0.488 -4.093 1.00 0.00 C ATOM 786 C THR A 47 -5.055 0.730 -4.233 1.00 0.00 C ATOM 787 O THR A 47 -5.480 1.778 -4.721 1.00 0.00 O ATOM 788 CB THR A 47 -6.800 -0.345 -2.811 1.00 0.00 C ATOM 789 OG1 THR A 47 -6.001 0.207 -1.759 1.00 0.00 O ATOM 790 CG2 THR A 47 -7.360 -1.692 -2.376 1.00 0.00 C ATOM 0 H THR A 47 -5.245 -2.252 -3.214 1.00 0.00 H new ATOM 0 HA THR A 47 -6.627 -0.541 -4.953 1.00 0.00 H new ATOM 0 HB THR A 47 -7.633 0.325 -3.024 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.544 0.296 -0.948 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.950 -1.565 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.993 -2.096 -3.167 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.539 -2.382 -2.181 1.00 0.00 H new ATOM 798 N HIS A 48 -3.805 0.587 -3.805 1.00 0.00 N ATOM 799 CA HIS A 48 -2.839 1.677 -3.885 1.00 0.00 C ATOM 800 C HIS A 48 -1.993 1.561 -5.148 1.00 0.00 C ATOM 801 O HIS A 48 -1.472 2.556 -5.652 1.00 0.00 O ATOM 802 CB HIS A 48 -1.938 1.680 -2.650 1.00 0.00 C ATOM 803 CG HIS A 48 -2.619 2.174 -1.412 1.00 0.00 C ATOM 804 ND1 HIS A 48 -2.788 3.513 -1.129 1.00 0.00 N ATOM 805 CD2 HIS A 48 -3.178 1.499 -0.379 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.419 3.641 0.024 1.00 0.00 C ATOM 807 NE2 HIS A 48 -3.667 2.434 0.500 1.00 0.00 N ATOM 0 H HIS A 48 -3.437 -0.273 -3.399 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.390 2.616 -3.924 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.573 0.668 -2.475 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.066 2.303 -2.848 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.229 0.426 -0.268 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.687 4.574 0.497 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.144 2.230 1.378 1.00 0.00 H new ATOM 815 N MET A 49 -1.857 0.340 -5.654 1.00 0.00 N ATOM 816 CA MET A 49 -1.073 0.095 -6.859 1.00 0.00 C ATOM 817 C MET A 49 -1.450 1.078 -7.963 1.00 0.00 C ATOM 818 O MET A 49 -0.581 1.634 -8.634 1.00 0.00 O ATOM 819 CB MET A 49 -1.281 -1.341 -7.345 1.00 0.00 C ATOM 820 CG MET A 49 -0.374 -2.351 -6.663 1.00 0.00 C ATOM 821 SD MET A 49 -0.193 -3.874 -7.610 1.00 0.00 S ATOM 822 CE MET A 49 1.323 -3.540 -8.503 1.00 0.00 C ATOM 0 H MET A 49 -2.279 -0.495 -5.249 1.00 0.00 H new ATOM 0 HA MET A 49 -0.021 0.239 -6.613 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.320 -1.626 -7.177 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.110 -1.380 -8.421 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.609 -1.905 -6.509 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.775 -2.586 -5.677 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.916 -4.452 -8.567 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.084 -3.191 -9.508 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.893 -2.773 -7.979 1.00 0.00 H new ATOM 832 N SER A 50 -2.749 1.287 -8.144 1.00 0.00 N ATOM 833 CA SER A 50 -3.241 2.200 -9.169 1.00 0.00 C ATOM 834 C SER A 50 -4.517 2.897 -8.709 1.00 0.00 C ATOM 835 O SER A 50 -5.235 2.394 -7.844 1.00 0.00 O ATOM 836 CB SER A 50 -3.502 1.444 -10.473 1.00 0.00 C ATOM 837 OG SER A 50 -3.400 2.306 -11.592 1.00 0.00 O ATOM 0 H SER A 50 -3.481 0.837 -7.594 1.00 0.00 H new ATOM 0 HA SER A 50 -2.476 2.957 -9.343 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.787 0.627 -10.573 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.495 0.996 -10.445 1.00 0.00 H new ATOM 0 HG SER A 50 -3.569 1.798 -12.413 1.00 0.00 H new ATOM 843 N SER A 51 -4.795 4.059 -9.293 1.00 0.00 N ATOM 844 CA SER A 51 -5.982 4.828 -8.941 1.00 0.00 C ATOM 845 C SER A 51 -7.234 4.202 -9.548 1.00 0.00 C ATOM 846 O SER A 51 -8.163 3.828 -8.832 1.00 0.00 O ATOM 847 CB SER A 51 -5.838 6.274 -9.419 1.00 0.00 C ATOM 848 OG SER A 51 -5.987 6.365 -10.824 1.00 0.00 O ATOM 0 H SER A 51 -4.213 4.488 -10.013 1.00 0.00 H new ATOM 0 HA SER A 51 -6.082 4.820 -7.856 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.586 6.898 -8.930 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.861 6.661 -9.128 1.00 0.00 H new ATOM 0 HG SER A 51 -5.892 7.300 -11.103 1.00 0.00 H new ATOM 854 N CYS A 52 -7.250 4.093 -10.872 1.00 0.00 N ATOM 855 CA CYS A 52 -8.389 3.514 -11.577 1.00 0.00 C ATOM 856 C CYS A 52 -8.721 2.130 -11.028 1.00 0.00 C ATOM 857 O CYS A 52 -8.125 1.679 -10.050 1.00 0.00 O ATOM 858 CB CYS A 52 -8.096 3.425 -13.075 1.00 0.00 C ATOM 859 SG CYS A 52 -8.138 5.017 -13.931 1.00 0.00 S ATOM 0 H CYS A 52 -6.488 4.397 -11.478 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.250 4.163 -11.421 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -7.113 2.975 -13.216 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -8.822 2.757 -13.537 1.00 0.00 H new ATOM 0 HG CYS A 52 -7.876 4.839 -15.192 1.00 0.00 H new ATOM 865 N ARG A 53 -9.676 1.460 -11.665 1.00 0.00 N ATOM 866 CA ARG A 53 -10.090 0.129 -11.238 1.00 0.00 C ATOM 867 C ARG A 53 -8.919 -0.848 -11.296 1.00 0.00 C ATOM 868 O ARG A 53 -8.412 -1.163 -12.372 1.00 0.00 O ATOM 869 CB ARG A 53 -11.235 -0.378 -12.117 1.00 0.00 C ATOM 870 CG ARG A 53 -11.896 -1.641 -11.587 1.00 0.00 C ATOM 871 CD ARG A 53 -13.223 -1.906 -12.280 1.00 0.00 C ATOM 872 NE ARG A 53 -13.796 -3.191 -11.891 1.00 0.00 N ATOM 873 CZ ARG A 53 -15.075 -3.508 -12.062 1.00 0.00 C ATOM 874 NH1 ARG A 53 -15.910 -2.638 -12.615 1.00 0.00 N ATOM 875 NH2 ARG A 53 -15.522 -4.699 -11.682 1.00 0.00 N ATOM 0 H ARG A 53 -10.177 1.817 -12.478 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.435 0.196 -10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.987 0.406 -12.207 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.854 -0.571 -13.120 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.230 -2.491 -11.735 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.057 -1.546 -10.513 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.925 -1.108 -12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.078 -1.886 -13.360 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.181 -3.884 -11.464 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.571 -1.723 -12.910 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.891 -2.885 -12.745 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.883 -5.372 -11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.504 -4.941 -11.814 1.00 0.00 H new ATOM 889 N VAL A 54 -8.495 -1.324 -10.130 1.00 0.00 N ATOM 890 CA VAL A 54 -7.385 -2.266 -10.046 1.00 0.00 C ATOM 891 C VAL A 54 -7.869 -3.703 -10.208 1.00 0.00 C ATOM 892 O VAL A 54 -8.542 -4.244 -9.332 1.00 0.00 O ATOM 893 CB VAL A 54 -6.638 -2.136 -8.706 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.461 -3.099 -8.654 1.00 0.00 C ATOM 895 CG2 VAL A 54 -6.174 -0.703 -8.492 1.00 0.00 C ATOM 0 H VAL A 54 -8.904 -1.073 -9.230 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.702 -2.022 -10.859 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.325 -2.396 -7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.946 -2.992 -7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.823 -4.122 -8.759 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.770 -2.874 -9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.648 -0.629 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.503 -0.413 -9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.038 -0.039 -8.481 1.00 0.00 H new ATOM 905 N ASP A 55 -7.522 -4.315 -11.335 1.00 0.00 N ATOM 906 CA ASP A 55 -7.919 -5.690 -11.612 1.00 0.00 C ATOM 907 C ASP A 55 -6.697 -6.590 -11.764 1.00 0.00 C ATOM 908 O ASP A 55 -6.568 -7.602 -11.074 1.00 0.00 O ATOM 909 CB ASP A 55 -8.774 -5.751 -12.879 1.00 0.00 C ATOM 910 CG ASP A 55 -9.748 -6.912 -12.866 1.00 0.00 C ATOM 911 OD1 ASP A 55 -10.701 -6.877 -12.059 1.00 0.00 O ATOM 912 OD2 ASP A 55 -9.558 -7.856 -13.661 1.00 0.00 O ATOM 0 H ASP A 55 -6.966 -3.880 -12.072 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.508 -6.048 -10.768 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.327 -4.818 -12.985 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.123 -5.837 -13.749 1.00 0.00 H new ATOM 917 N LYS A 56 -5.802 -6.214 -12.671 1.00 0.00 N ATOM 918 CA LYS A 56 -4.589 -6.985 -12.915 1.00 0.00 C ATOM 919 C LYS A 56 -3.361 -6.250 -12.384 1.00 0.00 C ATOM 920 O LYS A 56 -2.639 -5.584 -13.125 1.00 0.00 O ATOM 921 CB LYS A 56 -4.425 -7.259 -14.411 1.00 0.00 C ATOM 922 CG LYS A 56 -5.073 -8.555 -14.867 1.00 0.00 C ATOM 923 CD LYS A 56 -6.588 -8.481 -14.780 1.00 0.00 C ATOM 924 CE LYS A 56 -7.196 -7.968 -16.076 1.00 0.00 C ATOM 925 NZ LYS A 56 -7.067 -6.489 -16.202 1.00 0.00 N ATOM 0 H LYS A 56 -5.894 -5.379 -13.250 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.680 -7.934 -12.387 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.855 -6.430 -14.973 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.362 -7.290 -14.652 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.777 -8.770 -15.894 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.712 -9.379 -14.252 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.989 -9.469 -14.555 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.875 -7.825 -13.958 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.706 -8.449 -16.922 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.249 -8.246 -16.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.975 -6.086 -16.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.803 -6.084 -15.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.333 -6.263 -16.903 1.00 0.00 H new ATOM 939 N PRO A 57 -3.117 -6.376 -11.072 1.00 0.00 N ATOM 940 CA PRO A 57 -1.976 -5.732 -10.414 1.00 0.00 C ATOM 941 C PRO A 57 -0.645 -6.356 -10.820 1.00 0.00 C ATOM 942 O PRO A 57 0.420 -5.796 -10.560 1.00 0.00 O ATOM 943 CB PRO A 57 -2.244 -5.969 -8.926 1.00 0.00 C ATOM 944 CG PRO A 57 -3.092 -7.193 -8.883 1.00 0.00 C ATOM 945 CD PRO A 57 -3.936 -7.156 -10.128 1.00 0.00 C ATOM 0 HA PRO A 57 -1.891 -4.679 -10.684 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.315 -6.112 -8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.755 -5.118 -8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.477 -8.093 -8.855 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.715 -7.205 -7.989 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.140 -8.158 -10.505 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.900 -6.682 -9.946 1.00 0.00 H new ATOM 953 N SER A 58 -0.713 -7.519 -11.461 1.00 0.00 N ATOM 954 CA SER A 58 0.487 -8.220 -11.902 1.00 0.00 C ATOM 955 C SER A 58 0.894 -7.775 -13.303 1.00 0.00 C ATOM 956 O SER A 58 1.987 -8.088 -13.772 1.00 0.00 O ATOM 957 CB SER A 58 0.256 -9.732 -11.883 1.00 0.00 C ATOM 958 OG SER A 58 -0.359 -10.139 -10.671 1.00 0.00 O ATOM 0 H SER A 58 -1.586 -7.995 -11.686 1.00 0.00 H new ATOM 0 HA SER A 58 1.295 -7.973 -11.213 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.372 -10.018 -12.727 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.207 -10.250 -12.004 1.00 0.00 H new ATOM 0 HG SER A 58 -0.498 -11.109 -10.684 1.00 0.00 H new ATOM 964 N GLU A 59 0.005 -7.041 -13.965 1.00 0.00 N ATOM 965 CA GLU A 59 0.271 -6.553 -15.313 1.00 0.00 C ATOM 966 C GLU A 59 0.736 -5.100 -15.284 1.00 0.00 C ATOM 967 O GLU A 59 1.209 -4.568 -16.288 1.00 0.00 O ATOM 968 CB GLU A 59 -0.982 -6.681 -16.183 1.00 0.00 C ATOM 969 CG GLU A 59 -1.483 -8.109 -16.322 1.00 0.00 C ATOM 970 CD GLU A 59 -0.410 -9.057 -16.822 1.00 0.00 C ATOM 971 OE1 GLU A 59 0.359 -8.659 -17.721 1.00 0.00 O ATOM 972 OE2 GLU A 59 -0.342 -10.196 -16.316 1.00 0.00 O ATOM 0 H GLU A 59 -0.905 -6.772 -13.590 1.00 0.00 H new ATOM 0 HA GLU A 59 1.066 -7.163 -15.742 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.775 -6.067 -15.756 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.768 -6.282 -17.174 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.849 -8.457 -15.356 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.329 -8.128 -17.009 1.00 0.00 H new ATOM 979 N ILE A 60 0.597 -4.464 -14.125 1.00 0.00 N ATOM 980 CA ILE A 60 1.002 -3.073 -13.964 1.00 0.00 C ATOM 981 C ILE A 60 2.494 -2.966 -13.666 1.00 0.00 C ATOM 982 O ILE A 60 3.156 -2.019 -14.087 1.00 0.00 O ATOM 983 CB ILE A 60 0.214 -2.383 -12.836 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.284 -2.650 -12.994 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.494 -0.887 -12.831 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.130 -2.010 -11.914 1.00 0.00 C ATOM 0 H ILE A 60 0.207 -4.890 -13.284 1.00 0.00 H new ATOM 0 HA ILE A 60 0.785 -2.571 -14.907 1.00 0.00 H new ATOM 0 HB ILE A 60 0.539 -2.796 -11.881 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.610 -2.280 -13.966 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.455 -3.726 -12.988 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.071 -0.414 -12.028 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.559 -0.717 -12.675 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.194 -0.458 -13.787 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.181 -2.241 -12.090 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.831 -2.398 -10.940 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.988 -0.929 -11.933 1.00 0.00 H new ATOM 998 N VAL A 61 3.017 -3.948 -12.937 1.00 0.00 N ATOM 999 CA VAL A 61 4.432 -3.967 -12.585 1.00 0.00 C ATOM 1000 C VAL A 61 4.986 -5.387 -12.609 1.00 0.00 C ATOM 1001 O VAL A 61 4.238 -6.353 -12.765 1.00 0.00 O ATOM 1002 CB VAL A 61 4.671 -3.359 -11.190 1.00 0.00 C ATOM 1003 CG1 VAL A 61 3.890 -2.063 -11.030 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.295 -4.355 -10.103 1.00 0.00 C ATOM 0 H VAL A 61 2.482 -4.740 -12.579 1.00 0.00 H new ATOM 0 HA VAL A 61 4.951 -3.365 -13.331 1.00 0.00 H new ATOM 0 HB VAL A 61 5.732 -3.130 -11.090 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.072 -1.649 -10.038 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.213 -1.348 -11.787 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.825 -2.263 -11.150 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.470 -3.909 -9.124 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.241 -4.618 -10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.904 -5.253 -10.206 1.00 0.00 H new ATOM 1014 N ASP A 62 6.300 -5.507 -12.453 1.00 0.00 N ATOM 1015 CA ASP A 62 6.954 -6.810 -12.455 1.00 0.00 C ATOM 1016 C ASP A 62 8.281 -6.753 -11.707 1.00 0.00 C ATOM 1017 O ASP A 62 8.777 -5.673 -11.381 1.00 0.00 O ATOM 1018 CB ASP A 62 7.184 -7.286 -13.891 1.00 0.00 C ATOM 1019 CG ASP A 62 7.153 -8.798 -14.012 1.00 0.00 C ATOM 1020 OD1 ASP A 62 8.042 -9.457 -13.433 1.00 0.00 O ATOM 1021 OD2 ASP A 62 6.241 -9.320 -14.686 1.00 0.00 O ATOM 0 H ASP A 62 6.933 -4.718 -12.324 1.00 0.00 H new ATOM 0 HA ASP A 62 6.301 -7.518 -11.945 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.420 -6.857 -14.540 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.147 -6.916 -14.244 1.00 0.00 H new ATOM 1026 N VAL A 63 8.853 -7.922 -11.435 1.00 0.00 N ATOM 1027 CA VAL A 63 10.124 -8.005 -10.725 1.00 0.00 C ATOM 1028 C VAL A 63 11.259 -7.422 -11.558 1.00 0.00 C ATOM 1029 O VAL A 63 11.593 -7.945 -12.621 1.00 0.00 O ATOM 1030 CB VAL A 63 10.466 -9.461 -10.355 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.880 -9.553 -9.802 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.456 -10.009 -9.358 1.00 0.00 C ATOM 0 H VAL A 63 8.456 -8.825 -11.696 1.00 0.00 H new ATOM 0 HA VAL A 63 10.014 -7.422 -9.810 1.00 0.00 H new ATOM 0 HB VAL A 63 10.415 -10.069 -11.258 1.00 0.00 H new ATOM 0 HG11 VAL A 63 12.104 -10.589 -9.546 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.588 -9.204 -10.553 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.963 -8.933 -8.909 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.713 -11.038 -9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.471 -9.401 -8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.459 -9.981 -9.797 1.00 0.00 H new ATOM 1042 N GLY A 64 11.849 -6.336 -11.068 1.00 0.00 N ATOM 1043 CA GLY A 64 12.942 -5.701 -11.781 1.00 0.00 C ATOM 1044 C GLY A 64 12.627 -4.270 -12.169 1.00 0.00 C ATOM 1045 O GLY A 64 13.529 -3.482 -12.451 1.00 0.00 O ATOM 0 H GLY A 64 11.590 -5.885 -10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.836 -5.717 -11.158 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.169 -6.276 -12.679 1.00 0.00 H new ATOM 1049 N ASP A 65 11.342 -3.933 -12.185 1.00 0.00 N ATOM 1050 CA ASP A 65 10.908 -2.586 -12.541 1.00 0.00 C ATOM 1051 C ASP A 65 10.933 -1.667 -11.324 1.00 0.00 C ATOM 1052 O ASP A 65 10.362 -1.985 -10.281 1.00 0.00 O ATOM 1053 CB ASP A 65 9.502 -2.622 -13.141 1.00 0.00 C ATOM 1054 CG ASP A 65 9.443 -3.415 -14.432 1.00 0.00 C ATOM 1055 OD1 ASP A 65 9.292 -4.653 -14.361 1.00 0.00 O ATOM 1056 OD2 ASP A 65 9.546 -2.799 -15.512 1.00 0.00 O ATOM 0 H ASP A 65 10.582 -4.574 -11.956 1.00 0.00 H new ATOM 0 HA ASP A 65 11.601 -2.192 -13.284 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.813 -3.059 -12.418 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.164 -1.603 -13.328 1.00 0.00 H new ATOM 1061 N LYS A 66 11.600 -0.526 -11.464 1.00 0.00 N ATOM 1062 CA LYS A 66 11.700 0.441 -10.377 1.00 0.00 C ATOM 1063 C LYS A 66 10.515 1.401 -10.393 1.00 0.00 C ATOM 1064 O LYS A 66 10.131 1.912 -11.445 1.00 0.00 O ATOM 1065 CB LYS A 66 13.009 1.227 -10.485 1.00 0.00 C ATOM 1066 CG LYS A 66 13.166 2.295 -9.417 1.00 0.00 C ATOM 1067 CD LYS A 66 13.868 1.751 -8.183 1.00 0.00 C ATOM 1068 CE LYS A 66 15.366 1.616 -8.408 1.00 0.00 C ATOM 1069 NZ LYS A 66 16.033 2.944 -8.510 1.00 0.00 N ATOM 0 H LYS A 66 12.080 -0.248 -12.320 1.00 0.00 H new ATOM 0 HA LYS A 66 11.689 -0.106 -9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.847 0.533 -10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.061 1.697 -11.467 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.734 3.133 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.185 2.680 -9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.684 2.413 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.449 0.779 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.807 1.050 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.547 1.048 -9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.044 2.842 -8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.924 3.314 -9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.597 3.604 -7.835 1.00 0.00 H new ATOM 1083 N VAL A 67 9.940 1.643 -9.219 1.00 0.00 N ATOM 1084 CA VAL A 67 8.800 2.545 -9.097 1.00 0.00 C ATOM 1085 C VAL A 67 8.897 3.385 -7.830 1.00 0.00 C ATOM 1086 O VAL A 67 9.576 3.009 -6.874 1.00 0.00 O ATOM 1087 CB VAL A 67 7.470 1.768 -9.085 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.275 1.022 -10.395 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.423 0.810 -7.904 1.00 0.00 C ATOM 0 H VAL A 67 10.245 1.227 -8.339 1.00 0.00 H new ATOM 0 HA VAL A 67 8.821 3.202 -9.966 1.00 0.00 H new ATOM 0 HB VAL A 67 6.654 2.482 -8.977 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.330 0.479 -10.367 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.261 1.734 -11.220 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.094 0.317 -10.538 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.476 0.270 -7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.247 0.100 -7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.512 1.373 -6.975 1.00 0.00 H new ATOM 1099 N TRP A 68 8.215 4.525 -7.829 1.00 0.00 N ATOM 1100 CA TRP A 68 8.224 5.420 -6.677 1.00 0.00 C ATOM 1101 C TRP A 68 7.051 5.126 -5.750 1.00 0.00 C ATOM 1102 O TRP A 68 5.936 4.870 -6.205 1.00 0.00 O ATOM 1103 CB TRP A 68 8.173 6.878 -7.138 1.00 0.00 C ATOM 1104 CG TRP A 68 9.454 7.350 -7.757 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.748 7.407 -9.089 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.613 7.830 -7.067 1.00 0.00 C ATOM 1107 NE1 TRP A 68 11.020 7.894 -9.269 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.572 8.162 -8.045 1.00 0.00 C ATOM 1109 CE3 TRP A 68 10.933 8.016 -5.720 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 12.827 8.665 -7.715 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.180 8.514 -5.394 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.114 8.835 -6.388 1.00 0.00 C ATOM 0 H TRP A 68 7.649 4.851 -8.612 1.00 0.00 H new ATOM 0 HA TRP A 68 9.149 5.253 -6.125 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.364 6.996 -7.859 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.934 7.513 -6.285 1.00 0.00 H new ATOM 0 HD1 TRP A 68 9.079 7.113 -9.884 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.479 8.033 -10.169 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.218 7.775 -4.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.549 8.912 -8.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.439 8.658 -4.356 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.080 9.224 -6.101 1.00 0.00 H new ATOM 1123 N VAL A 69 7.308 5.164 -4.446 1.00 0.00 N ATOM 1124 CA VAL A 69 6.271 4.902 -3.455 1.00 0.00 C ATOM 1125 C VAL A 69 6.452 5.785 -2.225 1.00 0.00 C ATOM 1126 O VAL A 69 7.542 6.301 -1.971 1.00 0.00 O ATOM 1127 CB VAL A 69 6.273 3.425 -3.017 1.00 0.00 C ATOM 1128 CG1 VAL A 69 5.568 2.561 -4.051 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.696 2.940 -2.786 1.00 0.00 C ATOM 0 H VAL A 69 8.225 5.374 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 69 5.316 5.132 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 69 5.728 3.342 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.579 1.521 -3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.537 2.895 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.082 2.647 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.679 1.895 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.268 3.036 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.163 3.541 -2.006 1.00 0.00 H new ATOM 1139 N LYS A 70 5.377 5.955 -1.462 1.00 0.00 N ATOM 1140 CA LYS A 70 5.416 6.774 -0.256 1.00 0.00 C ATOM 1141 C LYS A 70 4.792 6.035 0.923 1.00 0.00 C ATOM 1142 O LYS A 70 3.709 5.460 0.806 1.00 0.00 O ATOM 1143 CB LYS A 70 4.683 8.096 -0.490 1.00 0.00 C ATOM 1144 CG LYS A 70 3.216 8.056 -0.094 1.00 0.00 C ATOM 1145 CD LYS A 70 2.590 9.440 -0.135 1.00 0.00 C ATOM 1146 CE LYS A 70 1.136 9.408 0.310 1.00 0.00 C ATOM 1147 NZ LYS A 70 0.382 10.598 -0.171 1.00 0.00 N ATOM 0 H LYS A 70 4.468 5.536 -1.658 1.00 0.00 H new ATOM 0 HA LYS A 70 6.460 6.982 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.182 8.884 0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.759 8.363 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.675 7.391 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.120 7.642 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.154 10.115 0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.653 9.839 -1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.661 8.501 -0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.090 9.365 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.544 10.298 -0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.243 11.263 0.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.919 11.066 -0.928 1.00 0.00 H new ATOM 1161 N LEU A 71 5.481 6.056 2.059 1.00 0.00 N ATOM 1162 CA LEU A 71 4.992 5.389 3.262 1.00 0.00 C ATOM 1163 C LEU A 71 3.655 5.974 3.704 1.00 0.00 C ATOM 1164 O LEU A 71 3.490 7.192 3.765 1.00 0.00 O ATOM 1165 CB LEU A 71 6.016 5.518 4.391 1.00 0.00 C ATOM 1166 CG LEU A 71 5.784 4.628 5.613 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.033 3.168 5.264 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.676 5.062 6.767 1.00 0.00 C ATOM 0 H LEU A 71 6.379 6.527 2.173 1.00 0.00 H new ATOM 0 HA LEU A 71 4.846 4.334 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.003 5.295 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.034 6.557 4.721 1.00 0.00 H new ATOM 0 HG LEU A 71 4.745 4.734 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.863 2.549 6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.352 2.863 4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.062 3.045 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.497 4.417 7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.721 4.986 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.449 6.094 7.034 1.00 0.00 H new ATOM 1180 N ILE A 72 2.705 5.097 4.011 1.00 0.00 N ATOM 1181 CA ILE A 72 1.383 5.527 4.450 1.00 0.00 C ATOM 1182 C ILE A 72 1.139 5.150 5.907 1.00 0.00 C ATOM 1183 O ILE A 72 0.336 5.778 6.596 1.00 0.00 O ATOM 1184 CB ILE A 72 0.273 4.910 3.579 1.00 0.00 C ATOM 1185 CG1 ILE A 72 0.265 3.387 3.728 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.461 5.305 2.122 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.689 2.693 2.780 1.00 0.00 C ATOM 0 H ILE A 72 2.826 4.085 3.964 1.00 0.00 H new ATOM 0 HA ILE A 72 1.353 6.612 4.348 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.689 5.294 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.273 3.008 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.004 3.131 4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.331 4.861 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.421 6.390 2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.428 4.947 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.643 1.616 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.704 3.044 2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.408 2.919 1.751 1.00 0.00 H new ATOM 1199 N GLY A 73 1.840 4.120 6.373 1.00 0.00 N ATOM 1200 CA GLY A 73 1.686 3.678 7.746 1.00 0.00 C ATOM 1201 C GLY A 73 2.721 2.643 8.141 1.00 0.00 C ATOM 1202 O GLY A 73 3.023 1.732 7.371 1.00 0.00 O ATOM 0 H GLY A 73 2.512 3.584 5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.763 4.537 8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.689 3.260 7.880 1.00 0.00 H new ATOM 1206 N ARG A 74 3.268 2.786 9.344 1.00 0.00 N ATOM 1207 CA ARG A 74 4.278 1.858 9.839 1.00 0.00 C ATOM 1208 C ARG A 74 3.730 1.022 10.992 1.00 0.00 C ATOM 1209 O ARG A 74 3.253 1.563 11.990 1.00 0.00 O ATOM 1210 CB ARG A 74 5.524 2.620 10.294 1.00 0.00 C ATOM 1211 CG ARG A 74 6.225 3.366 9.171 1.00 0.00 C ATOM 1212 CD ARG A 74 7.215 4.386 9.712 1.00 0.00 C ATOM 1213 NE ARG A 74 7.865 3.922 10.934 1.00 0.00 N ATOM 1214 CZ ARG A 74 8.430 4.734 11.820 1.00 0.00 C ATOM 1215 NH1 ARG A 74 8.423 6.045 11.621 1.00 0.00 N ATOM 1216 NH2 ARG A 74 9.002 4.236 12.910 1.00 0.00 N ATOM 0 H ARG A 74 3.029 3.535 9.994 1.00 0.00 H new ATOM 0 HA ARG A 74 4.549 1.188 9.024 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.241 3.331 11.070 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.225 1.917 10.745 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.747 2.655 8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.485 3.870 8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.972 4.594 8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.697 5.324 9.911 1.00 0.00 H new ATOM 0 HE ARG A 74 7.886 2.919 11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.983 6.432 10.786 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.858 6.667 12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.008 3.228 13.068 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.436 4.861 13.589 1.00 0.00 H new ATOM 1230 N GLU A 75 3.803 -0.297 10.848 1.00 0.00 N ATOM 1231 CA GLU A 75 3.312 -1.206 11.878 1.00 0.00 C ATOM 1232 C GLU A 75 4.214 -2.431 11.997 1.00 0.00 C ATOM 1233 O GLU A 75 4.444 -3.142 11.019 1.00 0.00 O ATOM 1234 CB GLU A 75 1.879 -1.642 11.564 1.00 0.00 C ATOM 1235 CG GLU A 75 0.823 -0.677 12.076 1.00 0.00 C ATOM 1236 CD GLU A 75 0.891 -0.481 13.578 1.00 0.00 C ATOM 1237 OE1 GLU A 75 1.017 -1.491 14.302 1.00 0.00 O ATOM 1238 OE2 GLU A 75 0.816 0.681 14.030 1.00 0.00 O ATOM 0 H GLU A 75 4.197 -0.760 10.029 1.00 0.00 H new ATOM 0 HA GLU A 75 3.322 -0.675 12.830 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.769 -1.749 10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.703 -2.625 12.001 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.947 0.287 11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.165 -1.049 11.806 1.00 0.00 H new ATOM 1245 N MET A 76 4.722 -2.669 13.201 1.00 0.00 N ATOM 1246 CA MET A 76 5.598 -3.809 13.448 1.00 0.00 C ATOM 1247 C MET A 76 4.979 -4.761 14.466 1.00 0.00 C ATOM 1248 O MET A 76 4.559 -4.345 15.545 1.00 0.00 O ATOM 1249 CB MET A 76 6.964 -3.330 13.946 1.00 0.00 C ATOM 1250 CG MET A 76 6.972 -2.938 15.415 1.00 0.00 C ATOM 1251 SD MET A 76 7.247 -4.346 16.508 1.00 0.00 S ATOM 1252 CE MET A 76 8.988 -4.148 16.881 1.00 0.00 C ATOM 0 H MET A 76 4.543 -2.089 14.021 1.00 0.00 H new ATOM 0 HA MET A 76 5.728 -4.346 12.508 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.698 -4.120 13.785 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.280 -2.475 13.348 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.750 -2.194 15.584 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.021 -2.468 15.667 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.310 -4.946 17.550 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.565 -4.193 15.958 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.149 -3.184 17.363 1.00 0.00 H new ATOM 1262 N LYS A 77 4.923 -6.042 14.115 1.00 0.00 N ATOM 1263 CA LYS A 77 4.355 -7.054 14.996 1.00 0.00 C ATOM 1264 C LYS A 77 5.453 -7.903 15.629 1.00 0.00 C ATOM 1265 O LYS A 77 6.530 -8.068 15.056 1.00 0.00 O ATOM 1266 CB LYS A 77 3.386 -7.949 14.221 1.00 0.00 C ATOM 1267 CG LYS A 77 2.250 -8.495 15.071 1.00 0.00 C ATOM 1268 CD LYS A 77 1.025 -7.599 15.006 1.00 0.00 C ATOM 1269 CE LYS A 77 1.041 -6.551 16.108 1.00 0.00 C ATOM 1270 NZ LYS A 77 -0.153 -5.665 16.049 1.00 0.00 N ATOM 0 H LYS A 77 5.265 -6.403 13.225 1.00 0.00 H new ATOM 0 HA LYS A 77 3.811 -6.544 15.791 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.967 -7.382 13.390 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.940 -8.783 13.791 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.988 -9.497 14.730 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.580 -8.587 16.106 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.985 -7.106 14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.124 -8.206 15.093 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.078 -7.046 17.079 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.945 -5.948 16.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.104 -4.965 16.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.176 -5.173 15.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.015 -6.237 16.156 1.00 0.00 H new ATOM 1284 N ASN A 78 5.173 -8.440 16.811 1.00 0.00 N ATOM 1285 CA ASN A 78 6.137 -9.274 17.520 1.00 0.00 C ATOM 1286 C ASN A 78 6.528 -10.487 16.681 1.00 0.00 C ATOM 1287 O ASN A 78 7.506 -11.173 16.982 1.00 0.00 O ATOM 1288 CB ASN A 78 5.559 -9.732 18.861 1.00 0.00 C ATOM 1289 CG ASN A 78 4.720 -8.657 19.525 1.00 0.00 C ATOM 1290 OD1 ASN A 78 5.198 -7.553 19.784 1.00 0.00 O ATOM 1291 ND2 ASN A 78 3.462 -8.978 19.805 1.00 0.00 N ATOM 0 H ASN A 78 4.286 -8.313 17.299 1.00 0.00 H new ATOM 0 HA ASN A 78 7.031 -8.677 17.702 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.949 -10.622 18.706 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.374 -10.017 19.527 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.849 -8.297 20.253 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.108 -9.906 19.572 1.00 0.00 H new ATOM 1298 N ASP A 79 5.759 -10.744 15.629 1.00 0.00 N ATOM 1299 CA ASP A 79 6.026 -11.873 14.745 1.00 0.00 C ATOM 1300 C ASP A 79 6.802 -11.425 13.511 1.00 0.00 C ATOM 1301 O ASP A 79 7.596 -12.185 12.956 1.00 0.00 O ATOM 1302 CB ASP A 79 4.715 -12.540 14.324 1.00 0.00 C ATOM 1303 CG ASP A 79 4.069 -13.313 15.457 1.00 0.00 C ATOM 1304 OD1 ASP A 79 3.612 -12.672 16.427 1.00 0.00 O ATOM 1305 OD2 ASP A 79 4.021 -14.558 15.375 1.00 0.00 O ATOM 0 H ASP A 79 4.946 -10.186 15.367 1.00 0.00 H new ATOM 0 HA ASP A 79 6.633 -12.595 15.291 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.022 -11.779 13.966 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.906 -13.215 13.490 1.00 0.00 H new ATOM 1310 N ARG A 80 6.568 -10.188 13.087 1.00 0.00 N ATOM 1311 CA ARG A 80 7.244 -9.640 11.917 1.00 0.00 C ATOM 1312 C ARG A 80 6.867 -8.176 11.709 1.00 0.00 C ATOM 1313 O ARG A 80 5.822 -7.721 12.172 1.00 0.00 O ATOM 1314 CB ARG A 80 6.888 -10.452 10.670 1.00 0.00 C ATOM 1315 CG ARG A 80 5.435 -10.311 10.245 1.00 0.00 C ATOM 1316 CD ARG A 80 5.108 -11.222 9.072 1.00 0.00 C ATOM 1317 NE ARG A 80 5.955 -10.949 7.914 1.00 0.00 N ATOM 1318 CZ ARG A 80 5.863 -11.609 6.765 1.00 0.00 C ATOM 1319 NH1 ARG A 80 4.967 -12.576 6.621 1.00 0.00 N ATOM 1320 NH2 ARG A 80 6.669 -11.303 5.757 1.00 0.00 N ATOM 0 H ARG A 80 5.915 -9.546 13.536 1.00 0.00 H new ATOM 0 HA ARG A 80 8.319 -9.700 12.087 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.530 -10.138 9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.102 -11.504 10.859 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.784 -10.550 11.086 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.234 -9.276 9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.232 -12.262 9.375 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.062 -11.094 8.794 1.00 0.00 H new ATOM 0 HE ARG A 80 6.655 -10.211 7.992 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.346 -12.815 7.394 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.899 -13.081 5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.360 -10.560 5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.598 -11.810 4.875 1.00 0.00 H new ATOM 1334 N ILE A 81 7.728 -7.444 11.009 1.00 0.00 N ATOM 1335 CA ILE A 81 7.486 -6.032 10.739 1.00 0.00 C ATOM 1336 C ILE A 81 6.666 -5.849 9.467 1.00 0.00 C ATOM 1337 O ILE A 81 6.941 -6.473 8.441 1.00 0.00 O ATOM 1338 CB ILE A 81 8.806 -5.250 10.602 1.00 0.00 C ATOM 1339 CG1 ILE A 81 9.608 -5.330 11.903 1.00 0.00 C ATOM 1340 CG2 ILE A 81 8.528 -3.801 10.233 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.653 -4.245 12.036 1.00 0.00 C ATOM 0 H ILE A 81 8.599 -7.805 10.619 1.00 0.00 H new ATOM 0 HA ILE A 81 6.928 -5.640 11.589 1.00 0.00 H new ATOM 0 HB ILE A 81 9.397 -5.700 9.804 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.922 -5.268 12.748 1.00 0.00 H new ATOM 0 HG13 ILE A 81 10.097 -6.303 11.960 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.471 -3.262 10.140 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.993 -3.763 9.284 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.920 -3.338 11.010 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.182 -4.364 12.981 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.362 -4.319 11.211 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.169 -3.269 12.011 1.00 0.00 H new ATOM 1353 N LYS A 82 5.658 -4.986 9.538 1.00 0.00 N ATOM 1354 CA LYS A 82 4.799 -4.716 8.392 1.00 0.00 C ATOM 1355 C LYS A 82 4.900 -3.255 7.966 1.00 0.00 C ATOM 1356 O LYS A 82 4.761 -2.348 8.787 1.00 0.00 O ATOM 1357 CB LYS A 82 3.345 -5.061 8.725 1.00 0.00 C ATOM 1358 CG LYS A 82 2.983 -6.509 8.444 1.00 0.00 C ATOM 1359 CD LYS A 82 2.836 -6.768 6.954 1.00 0.00 C ATOM 1360 CE LYS A 82 1.488 -6.293 6.436 1.00 0.00 C ATOM 1361 NZ LYS A 82 1.478 -6.163 4.952 1.00 0.00 N ATOM 0 H LYS A 82 5.416 -4.461 10.379 1.00 0.00 H new ATOM 0 HA LYS A 82 5.135 -5.341 7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.162 -4.847 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.685 -4.412 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.752 -7.163 8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.050 -6.757 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.634 -6.258 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.948 -7.834 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.713 -6.995 6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.244 -5.331 6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.542 -5.837 4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.200 -5.475 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.685 -7.087 4.521 1.00 0.00 H new ATOM 1375 N VAL A 83 5.144 -3.034 6.678 1.00 0.00 N ATOM 1376 CA VAL A 83 5.262 -1.682 6.144 1.00 0.00 C ATOM 1377 C VAL A 83 4.275 -1.453 5.006 1.00 0.00 C ATOM 1378 O VAL A 83 4.205 -2.241 4.063 1.00 0.00 O ATOM 1379 CB VAL A 83 6.688 -1.402 5.636 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.749 -0.059 4.925 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.683 -1.450 6.787 1.00 0.00 C ATOM 0 H VAL A 83 5.264 -3.773 5.985 1.00 0.00 H new ATOM 0 HA VAL A 83 5.035 -0.998 6.961 1.00 0.00 H new ATOM 0 HB VAL A 83 6.957 -2.178 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.765 0.121 4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.067 -0.066 4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.459 0.732 5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.686 -1.250 6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.418 -0.697 7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.659 -2.438 7.248 1.00 0.00 H new ATOM 1391 N SER A 84 3.513 -0.368 5.099 1.00 0.00 N ATOM 1392 CA SER A 84 2.526 -0.035 4.079 1.00 0.00 C ATOM 1393 C SER A 84 3.056 1.045 3.141 1.00 0.00 C ATOM 1394 O SER A 84 3.479 2.115 3.583 1.00 0.00 O ATOM 1395 CB SER A 84 1.224 0.434 4.731 1.00 0.00 C ATOM 1396 OG SER A 84 0.431 -0.668 5.135 1.00 0.00 O ATOM 0 H SER A 84 3.561 0.296 5.872 1.00 0.00 H new ATOM 0 HA SER A 84 2.328 -0.934 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.451 1.059 5.595 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.664 1.051 4.029 1.00 0.00 H new ATOM 0 HG SER A 84 -0.395 -0.342 5.550 1.00 0.00 H new ATOM 1402 N LEU A 85 3.033 0.758 1.845 1.00 0.00 N ATOM 1403 CA LEU A 85 3.512 1.704 0.843 1.00 0.00 C ATOM 1404 C LEU A 85 2.434 1.984 -0.200 1.00 0.00 C ATOM 1405 O LEU A 85 1.569 1.147 -0.454 1.00 0.00 O ATOM 1406 CB LEU A 85 4.768 1.163 0.161 1.00 0.00 C ATOM 1407 CG LEU A 85 5.913 0.753 1.088 1.00 0.00 C ATOM 1408 CD1 LEU A 85 7.108 0.269 0.281 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.310 1.913 1.989 1.00 0.00 C ATOM 0 H LEU A 85 2.688 -0.122 1.463 1.00 0.00 H new ATOM 0 HA LEU A 85 3.755 2.639 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.487 0.298 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.139 1.922 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 85 5.569 -0.069 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.912 -0.018 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.816 -0.591 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.453 1.069 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.126 1.604 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.634 2.755 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.455 2.213 2.594 1.00 0.00 H new ATOM 1421 N SER A 86 2.493 3.168 -0.802 1.00 0.00 N ATOM 1422 CA SER A 86 1.522 3.560 -1.815 1.00 0.00 C ATOM 1423 C SER A 86 2.215 3.878 -3.138 1.00 0.00 C ATOM 1424 O SER A 86 3.362 4.321 -3.158 1.00 0.00 O ATOM 1425 CB SER A 86 0.720 4.774 -1.343 1.00 0.00 C ATOM 1426 OG SER A 86 -0.221 5.177 -2.322 1.00 0.00 O ATOM 0 H SER A 86 3.204 3.872 -0.605 1.00 0.00 H new ATOM 0 HA SER A 86 0.841 2.723 -1.972 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.202 4.533 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.398 5.599 -1.125 1.00 0.00 H new ATOM 0 HG SER A 86 -1.089 4.764 -2.131 1.00 0.00 H new ATOM 1432 N MET A 87 1.507 3.647 -4.239 1.00 0.00 N ATOM 1433 CA MET A 87 2.053 3.910 -5.566 1.00 0.00 C ATOM 1434 C MET A 87 1.171 4.889 -6.333 1.00 0.00 C ATOM 1435 O MET A 87 1.667 5.745 -7.066 1.00 0.00 O ATOM 1436 CB MET A 87 2.188 2.604 -6.352 1.00 0.00 C ATOM 1437 CG MET A 87 3.456 1.830 -6.032 1.00 0.00 C ATOM 1438 SD MET A 87 3.490 0.202 -6.806 1.00 0.00 S ATOM 1439 CE MET A 87 3.720 0.648 -8.524 1.00 0.00 C ATOM 0 H MET A 87 0.556 3.279 -4.239 1.00 0.00 H new ATOM 0 HA MET A 87 3.040 4.357 -5.444 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.324 1.973 -6.143 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.168 2.828 -7.419 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.321 2.404 -6.364 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.545 1.716 -4.952 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.834 0.370 -9.094 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.879 1.723 -8.603 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.588 0.123 -8.923 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.140 4.759 -6.159 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.093 5.633 -6.833 1.00 0.00 C ATOM 1451 C LYS A 88 -0.970 7.067 -6.325 1.00 0.00 C ATOM 1452 O LYS A 88 -1.533 7.993 -6.908 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.521 5.126 -6.621 1.00 0.00 C ATOM 1454 CG LYS A 88 -3.003 5.252 -5.187 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.452 4.814 -5.045 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.887 4.789 -3.588 1.00 0.00 C ATOM 1457 NZ LYS A 88 -6.236 4.179 -3.423 1.00 0.00 N ATOM 0 H LYS A 88 -0.567 4.056 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.866 5.623 -7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.196 5.682 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.575 4.080 -6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.373 4.646 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.900 6.286 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.095 5.492 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.578 3.823 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.160 4.227 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.897 5.805 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.461 4.103 -2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.947 4.776 -3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.243 3.231 -3.851 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.229 7.242 -5.236 1.00 0.00 N ATOM 1472 CA VAL A 89 -0.030 8.562 -4.650 1.00 0.00 C ATOM 1473 C VAL A 89 1.386 9.068 -4.903 1.00 0.00 C ATOM 1474 O VAL A 89 1.858 9.985 -4.232 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.296 8.550 -3.133 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.677 7.986 -2.838 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.780 7.753 -2.411 1.00 0.00 C ATOM 0 H VAL A 89 0.244 6.486 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.743 9.232 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.263 9.576 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.847 7.985 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.433 8.602 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.742 6.966 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.577 7.755 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.781 6.727 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.754 8.206 -2.596 1.00 0.00 H new ATOM 1487 N VAL A 90 2.060 8.463 -5.877 1.00 0.00 N ATOM 1488 CA VAL A 90 3.421 8.853 -6.220 1.00 0.00 C ATOM 1489 C VAL A 90 3.671 8.716 -7.718 1.00 0.00 C ATOM 1490 O VAL A 90 3.190 7.781 -8.355 1.00 0.00 O ATOM 1491 CB VAL A 90 4.458 8.003 -5.460 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.845 8.615 -5.585 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.059 7.861 -3.998 1.00 0.00 C ATOM 0 H VAL A 90 1.685 7.701 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 90 3.533 9.897 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 90 4.485 7.008 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.564 8.001 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.129 8.662 -6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.838 9.621 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.801 7.258 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.004 8.848 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.085 7.375 -3.932 1.00 0.00 H new ATOM 1503 N ASN A 91 4.427 9.657 -8.274 1.00 0.00 N ATOM 1504 CA ASN A 91 4.742 9.643 -9.698 1.00 0.00 C ATOM 1505 C ASN A 91 5.745 8.541 -10.023 1.00 0.00 C ATOM 1506 O ASN A 91 6.806 8.453 -9.405 1.00 0.00 O ATOM 1507 CB ASN A 91 5.298 11.000 -10.133 1.00 0.00 C ATOM 1508 CG ASN A 91 5.378 11.136 -11.641 1.00 0.00 C ATOM 1509 OD1 ASN A 91 6.122 10.412 -12.303 1.00 0.00 O ATOM 1510 ND2 ASN A 91 4.609 12.068 -12.193 1.00 0.00 N ATOM 0 H ASN A 91 4.833 10.439 -7.760 1.00 0.00 H new ATOM 0 HA ASN A 91 3.821 9.444 -10.246 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.667 11.793 -9.732 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.291 11.136 -9.706 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.620 12.206 -13.204 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.007 12.646 -11.606 1.00 0.00 H new ATOM 1517 N GLN A 92 5.403 7.703 -10.997 1.00 0.00 N ATOM 1518 CA GLN A 92 6.274 6.607 -11.403 1.00 0.00 C ATOM 1519 C GLN A 92 7.223 7.049 -12.512 1.00 0.00 C ATOM 1520 O GLN A 92 7.372 6.366 -13.524 1.00 0.00 O ATOM 1521 CB GLN A 92 5.441 5.413 -11.873 1.00 0.00 C ATOM 1522 CG GLN A 92 4.320 5.038 -10.917 1.00 0.00 C ATOM 1523 CD GLN A 92 4.810 4.816 -9.501 1.00 0.00 C ATOM 1524 OE1 GLN A 92 6.013 4.704 -9.259 1.00 0.00 O ATOM 1525 NE2 GLN A 92 3.882 4.753 -8.555 1.00 0.00 N ATOM 0 H GLN A 92 4.529 7.763 -11.519 1.00 0.00 H new ATOM 0 HA GLN A 92 6.868 6.308 -10.539 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.013 5.641 -12.849 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.097 4.553 -12.005 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.568 5.827 -10.918 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.831 4.132 -11.274 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.897 4.851 -8.800 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.154 4.607 -7.583 1.00 0.00 H new ATOM 1534 N GLY A 93 7.864 8.196 -12.313 1.00 0.00 N ATOM 1535 CA GLY A 93 8.791 8.711 -13.305 1.00 0.00 C ATOM 1536 C GLY A 93 9.735 9.748 -12.733 1.00 0.00 C ATOM 1537 O GLY A 93 10.917 9.781 -13.078 1.00 0.00 O ATOM 0 H GLY A 93 7.758 8.779 -11.482 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.370 7.886 -13.719 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.229 9.151 -14.129 1.00 0.00 H new ATOM 1541 N THR A 94 9.215 10.602 -11.858 1.00 0.00 N ATOM 1542 CA THR A 94 10.018 11.649 -11.239 1.00 0.00 C ATOM 1543 C THR A 94 10.096 11.462 -9.727 1.00 0.00 C ATOM 1544 O THR A 94 11.000 11.979 -9.074 1.00 0.00 O ATOM 1545 CB THR A 94 9.449 13.048 -11.543 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.157 13.192 -10.944 1.00 0.00 O ATOM 1547 CG2 THR A 94 9.347 13.275 -13.044 1.00 0.00 C ATOM 0 H THR A 94 8.239 10.589 -11.561 1.00 0.00 H new ATOM 0 HA THR A 94 11.019 11.572 -11.664 1.00 0.00 H new ATOM 0 HB THR A 94 10.127 13.792 -11.124 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.803 14.084 -11.140 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.943 14.269 -13.235 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.337 13.194 -13.492 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.688 12.525 -13.481 1.00 0.00 H new ATOM 1555 N GLY A 95 9.140 10.718 -9.178 1.00 0.00 N ATOM 1556 CA GLY A 95 9.119 10.476 -7.748 1.00 0.00 C ATOM 1557 C GLY A 95 8.520 11.632 -6.972 1.00 0.00 C ATOM 1558 O GLY A 95 8.829 11.828 -5.796 1.00 0.00 O ATOM 0 H GLY A 95 8.380 10.279 -9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.547 9.571 -7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.136 10.296 -7.398 1.00 0.00 H new ATOM 1562 N LYS A 96 7.662 12.403 -7.631 1.00 0.00 N ATOM 1563 CA LYS A 96 7.017 13.547 -6.998 1.00 0.00 C ATOM 1564 C LYS A 96 5.655 13.160 -6.433 1.00 0.00 C ATOM 1565 O LYS A 96 4.860 12.499 -7.101 1.00 0.00 O ATOM 1566 CB LYS A 96 6.858 14.690 -8.003 1.00 0.00 C ATOM 1567 CG LYS A 96 6.835 16.066 -7.361 1.00 0.00 C ATOM 1568 CD LYS A 96 6.970 17.168 -8.398 1.00 0.00 C ATOM 1569 CE LYS A 96 5.649 17.434 -9.104 1.00 0.00 C ATOM 1570 NZ LYS A 96 5.627 18.773 -9.754 1.00 0.00 N ATOM 0 H LYS A 96 7.397 12.256 -8.605 1.00 0.00 H new ATOM 0 HA LYS A 96 7.650 13.880 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.677 14.647 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.934 14.544 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.903 16.196 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.647 16.145 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.317 18.082 -7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.726 16.888 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.477 16.663 -9.855 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.833 17.366 -8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.710 18.916 -10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.766 19.511 -9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.390 18.829 -10.459 1.00 0.00 H new ATOM 1584 N ASP A 97 5.391 13.576 -5.199 1.00 0.00 N ATOM 1585 CA ASP A 97 4.124 13.276 -4.545 1.00 0.00 C ATOM 1586 C ASP A 97 2.950 13.795 -5.369 1.00 0.00 C ATOM 1587 O ASP A 97 2.890 14.977 -5.708 1.00 0.00 O ATOM 1588 CB ASP A 97 4.089 13.890 -3.144 1.00 0.00 C ATOM 1589 CG ASP A 97 3.198 13.114 -2.193 1.00 0.00 C ATOM 1590 OD1 ASP A 97 1.962 13.276 -2.273 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.736 12.345 -1.371 1.00 0.00 O ATOM 0 H ASP A 97 6.039 14.123 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 97 4.036 12.193 -4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.101 13.926 -2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.736 14.919 -3.210 1.00 0.00 H new ATOM 1596 N LEU A 98 2.019 12.903 -5.690 1.00 0.00 N ATOM 1597 CA LEU A 98 0.846 13.270 -6.477 1.00 0.00 C ATOM 1598 C LEU A 98 -0.299 13.714 -5.573 1.00 0.00 C ATOM 1599 O LEU A 98 -1.126 14.538 -5.961 1.00 0.00 O ATOM 1600 CB LEU A 98 0.400 12.091 -7.344 1.00 0.00 C ATOM 1601 CG LEU A 98 1.433 11.562 -8.341 1.00 0.00 C ATOM 1602 CD1 LEU A 98 0.938 10.278 -8.989 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.740 12.612 -9.398 1.00 0.00 C ATOM 0 H LEU A 98 2.053 11.921 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 98 1.119 14.105 -7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.107 11.273 -6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.490 12.389 -7.898 1.00 0.00 H new ATOM 0 HG LEU A 98 2.353 11.341 -7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.685 9.915 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.769 9.524 -8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.004 10.473 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.477 12.219 -10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.826 12.865 -9.936 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.137 13.506 -8.918 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.339 13.162 -4.365 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.381 13.503 -3.403 1.00 0.00 C ATOM 1617 C ASP A 99 -0.775 13.870 -2.053 1.00 0.00 C ATOM 1618 O ASP A 99 -0.783 13.084 -1.105 1.00 0.00 O ATOM 1619 CB ASP A 99 -2.354 12.335 -3.238 1.00 0.00 C ATOM 1620 CG ASP A 99 -3.756 12.794 -2.889 1.00 0.00 C ATOM 1621 OD1 ASP A 99 -4.540 13.068 -3.822 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -4.070 12.878 -1.683 1.00 0.00 O ATOM 0 H ASP A 99 0.338 12.477 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.924 14.368 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.383 11.757 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.988 11.669 -2.457 1.00 0.00 H new ATOM 1627 N PRO A 100 -0.234 15.095 -1.960 1.00 0.00 N ATOM 1628 CA PRO A 100 0.387 15.595 -0.730 1.00 0.00 C ATOM 1629 C PRO A 100 -0.635 15.855 0.371 1.00 0.00 C ATOM 1630 O PRO A 100 -0.281 16.277 1.472 1.00 0.00 O ATOM 1631 CB PRO A 100 1.044 16.905 -1.171 1.00 0.00 C ATOM 1632 CG PRO A 100 0.253 17.344 -2.355 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.189 16.085 -3.048 1.00 0.00 C ATOM 0 HA PRO A 100 1.086 14.875 -0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.014 17.650 -0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.093 16.755 -1.428 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.605 17.944 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.856 17.964 -3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.164 16.207 -3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.510 15.790 -3.831 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.903 15.602 0.067 1.00 0.00 N ATOM 1642 CA ASN A 101 -2.977 15.810 1.032 1.00 0.00 C ATOM 1643 C ASN A 101 -3.096 14.618 1.978 1.00 0.00 C ATOM 1644 O ASN A 101 -3.574 14.753 3.104 1.00 0.00 O ATOM 1645 CB ASN A 101 -4.306 16.036 0.307 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.195 17.074 -0.793 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -3.193 17.781 -0.895 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -5.228 17.168 -1.621 1.00 0.00 N ATOM 0 H ASN A 101 -2.213 15.253 -0.840 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.737 16.696 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.649 15.093 -0.120 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.060 16.353 1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.212 17.848 -2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.038 16.560 -1.497 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.659 13.454 1.511 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.716 12.238 2.316 1.00 0.00 C ATOM 1657 C ASN A 102 -4.100 12.060 2.934 1.00 0.00 C ATOM 1658 O ASN A 102 -4.231 11.843 4.138 1.00 0.00 O ATOM 1659 CB ASN A 102 -1.655 12.279 3.416 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.268 12.562 2.872 1.00 0.00 C ATOM 1661 OD1 ASN A 102 0.497 11.641 2.584 1.00 0.00 O ATOM 1662 ND2 ASN A 102 0.062 13.840 2.730 1.00 0.00 N ATOM 0 H ASN A 102 -2.262 13.326 0.580 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.517 11.389 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.920 13.046 4.144 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.647 11.326 3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.982 14.092 2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.605 14.570 2.982 1.00 0.00 H new ATOM 1669 N VAL A 103 -5.131 12.152 2.100 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.505 12.000 2.564 1.00 0.00 C ATOM 1671 C VAL A 103 -7.138 10.732 2.000 1.00 0.00 C ATOM 1672 O VAL A 103 -8.130 10.233 2.532 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.369 13.212 2.166 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -7.422 13.356 0.653 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -8.769 13.080 2.747 1.00 0.00 C ATOM 0 H VAL A 103 -5.041 12.331 1.100 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.467 11.932 3.651 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.913 14.113 2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -8.037 14.217 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.413 13.499 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.854 12.455 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.366 13.944 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.236 12.172 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.709 13.030 3.834 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.557 10.216 0.922 1.00 0.00 N ATOM 1686 CA ILE A 104 -7.063 9.005 0.289 1.00 0.00 C ATOM 1687 C ILE A 104 -6.657 7.763 1.074 1.00 0.00 C ATOM 1688 O ILE A 104 -7.483 6.892 1.347 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.553 8.873 -1.159 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -7.056 10.041 -2.008 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -6.996 7.546 -1.757 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -6.167 11.264 -1.940 1.00 0.00 C ATOM 0 H ILE A 104 -5.736 10.618 0.469 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.150 9.085 0.278 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.463 8.899 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.136 9.717 -3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.059 10.312 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.628 7.467 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.593 6.726 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.085 7.493 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.585 12.053 -2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.106 11.613 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.169 11.009 -2.296 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.381 7.689 1.436 1.00 0.00 N ATOM 1705 CA ILE A 105 -4.867 6.555 2.194 1.00 0.00 C ATOM 1706 C ILE A 105 -5.656 6.350 3.482 1.00 0.00 C ATOM 1707 O ILE A 105 -5.663 5.260 4.051 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.377 6.738 2.540 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -3.200 7.894 3.527 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.566 6.981 1.277 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.267 7.468 4.976 1.00 0.00 C ATOM 0 H ILE A 105 -4.684 8.401 1.217 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.979 5.675 1.560 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.012 5.825 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.239 8.375 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.971 8.641 3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.515 7.108 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.672 6.128 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.928 7.881 0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.134 8.339 5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.237 7.014 5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.478 6.743 5.179 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.322 7.408 3.936 1.00 0.00 N ATOM 1724 CA GLU A 106 -7.115 7.345 5.157 1.00 0.00 C ATOM 1725 C GLU A 106 -8.531 6.858 4.861 1.00 0.00 C ATOM 1726 O GLU A 106 -8.980 5.850 5.407 1.00 0.00 O ATOM 1727 CB GLU A 106 -7.167 8.716 5.831 1.00 0.00 C ATOM 1728 CG GLU A 106 -8.146 8.790 6.990 1.00 0.00 C ATOM 1729 CD GLU A 106 -7.521 8.382 8.310 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -7.463 7.166 8.587 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -7.091 9.278 9.065 1.00 0.00 O ATOM 0 H GLU A 106 -6.328 8.318 3.476 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.638 6.635 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.171 8.972 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.439 9.466 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.529 9.807 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.999 8.144 6.782 1.00 0.00 H new