USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 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 48 HIS : no HD1:sc= 0.536 K(o=1.1,f=-6.4!) USER MOD Set 1.2: A 86 SER OG : rot 129:sc= 0.52 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.681 USER MOD Single : A 17 THR OG1 : rot -120:sc= -1.64 USER MOD Single : A 20 GLN :FLIP amide:sc= -6.93! C(o=-8.9!,f=-6.9!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 153:sc= 1.14 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.188 USER MOD Single : A 34 LYS NZ :NH3+ -121:sc=-0.00232 (180deg=-0.567) USER MOD Single : A 38 CYS SG : rot 16:sc= -0.485 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.654 K(o=-0.65,f=-1.7) USER MOD Single : A 45 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-3.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 153:sc= -0.191 (180deg=-0.562) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.17 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00807 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= 0.0132 (180deg=-0.129) 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 :FLIP amide:sc= -0.221 F(o=-0.85,f=-0.22) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 140:sc= -2.62! (180deg=-6.14!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.305 F(o=-1.5,f=-0.3) USER MOD Single : A 92 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.2!) 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= -0.0462 K(o=-0.046,f=-1.5!) USER MOD Single : A 102 ASN : amide:sc= -1.28 K(o=-1.3,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 14.550 1.987 8.363 1.00 0.00 N ATOM 229 CA LEU A 12 13.475 2.343 7.444 1.00 0.00 C ATOM 230 C LEU A 12 13.189 3.840 7.493 1.00 0.00 C ATOM 231 O LEU A 12 13.483 4.521 8.476 1.00 0.00 O ATOM 232 CB LEU A 12 12.206 1.559 7.785 1.00 0.00 C ATOM 233 CG LEU A 12 12.177 0.099 7.329 1.00 0.00 C ATOM 234 CD1 LEU A 12 11.084 -0.666 8.060 1.00 0.00 C ATOM 235 CD2 LEU A 12 11.975 0.014 5.823 1.00 0.00 C ATOM 0 HA LEU A 12 13.794 2.086 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.067 1.584 8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.354 2.074 7.342 1.00 0.00 H new ATOM 0 HG LEU A 12 13.137 -0.357 7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.078 -1.703 7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.273 -0.634 9.133 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.117 -0.210 7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.957 -1.032 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.030 0.487 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.793 0.526 5.317 1.00 0.00 H new ATOM 247 N PRO A 13 12.601 4.366 6.408 1.00 0.00 N ATOM 248 CA PRO A 13 12.260 5.788 6.304 1.00 0.00 C ATOM 249 C PRO A 13 11.117 6.180 7.235 1.00 0.00 C ATOM 250 O PRO A 13 10.620 5.357 8.003 1.00 0.00 O ATOM 251 CB PRO A 13 11.837 5.945 4.842 1.00 0.00 C ATOM 252 CG PRO A 13 11.374 4.589 4.434 1.00 0.00 C ATOM 253 CD PRO A 13 12.224 3.614 5.201 1.00 0.00 C ATOM 0 HA PRO A 13 13.093 6.429 6.592 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.042 6.683 4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.669 6.282 4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.318 4.451 4.664 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.487 4.445 3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.672 2.708 5.449 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.100 3.307 4.629 1.00 0.00 H new ATOM 261 N ALA A 14 10.705 7.441 7.160 1.00 0.00 N ATOM 262 CA ALA A 14 9.619 7.940 7.994 1.00 0.00 C ATOM 263 C ALA A 14 8.271 7.762 7.305 1.00 0.00 C ATOM 264 O ALA A 14 8.197 7.258 6.183 1.00 0.00 O ATOM 265 CB ALA A 14 9.848 9.405 8.339 1.00 0.00 C ATOM 0 H ALA A 14 11.107 8.136 6.530 1.00 0.00 H new ATOM 0 HA ALA A 14 9.606 7.359 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.029 9.764 8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.788 9.509 8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.891 9.992 7.422 1.00 0.00 H new ATOM 271 N LEU A 15 7.205 8.177 7.982 1.00 0.00 N ATOM 272 CA LEU A 15 5.859 8.062 7.435 1.00 0.00 C ATOM 273 C LEU A 15 5.667 9.011 6.255 1.00 0.00 C ATOM 274 O LEU A 15 6.272 10.081 6.203 1.00 0.00 O ATOM 275 CB LEU A 15 4.820 8.359 8.517 1.00 0.00 C ATOM 276 CG LEU A 15 3.366 8.053 8.155 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.224 6.614 7.686 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.452 8.323 9.342 1.00 0.00 C ATOM 0 H LEU A 15 7.248 8.596 8.911 1.00 0.00 H new ATOM 0 HA LEU A 15 5.724 7.040 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.079 7.787 9.408 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.893 9.414 8.783 1.00 0.00 H new ATOM 0 HG LEU A 15 3.069 8.710 7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.183 6.415 7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.848 6.455 6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.539 5.939 8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.421 8.100 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.748 7.692 10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.531 9.371 9.631 1.00 0.00 H new ATOM 290 N TYR A 16 4.820 8.612 5.314 1.00 0.00 N ATOM 291 CA TYR A 16 4.548 9.427 4.135 1.00 0.00 C ATOM 292 C TYR A 16 5.841 9.777 3.406 1.00 0.00 C ATOM 293 O TYR A 16 5.917 10.782 2.697 1.00 0.00 O ATOM 294 CB TYR A 16 3.811 10.706 4.533 1.00 0.00 C ATOM 295 CG TYR A 16 2.342 10.494 4.822 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.458 10.146 3.808 1.00 0.00 C ATOM 297 CD2 TYR A 16 1.837 10.642 6.108 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.115 9.952 4.066 1.00 0.00 C ATOM 299 CE2 TYR A 16 0.496 10.449 6.375 1.00 0.00 C ATOM 300 CZ TYR A 16 -0.361 10.103 5.352 1.00 0.00 C ATOM 301 OH TYR A 16 -1.698 9.911 5.614 1.00 0.00 O ATOM 0 H TYR A 16 4.309 7.729 5.344 1.00 0.00 H new ATOM 0 HA TYR A 16 3.917 8.848 3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.289 11.131 5.416 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.913 11.438 3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.828 10.025 2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.505 10.913 6.913 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.559 9.684 3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.120 10.569 7.380 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.868 10.055 6.568 1.00 0.00 H new ATOM 311 N THR A 17 6.859 8.941 3.584 1.00 0.00 N ATOM 312 CA THR A 17 8.150 9.161 2.944 1.00 0.00 C ATOM 313 C THR A 17 8.162 8.603 1.525 1.00 0.00 C ATOM 314 O THR A 17 7.719 7.479 1.286 1.00 0.00 O ATOM 315 CB THR A 17 9.293 8.512 3.748 1.00 0.00 C ATOM 316 OG1 THR A 17 9.364 9.094 5.055 1.00 0.00 O ATOM 317 CG2 THR A 17 10.625 8.691 3.035 1.00 0.00 C ATOM 0 H THR A 17 6.814 8.105 4.166 1.00 0.00 H new ATOM 0 HA THR A 17 8.306 10.239 2.909 1.00 0.00 H new ATOM 0 HB THR A 17 9.086 7.445 3.836 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.245 9.504 5.183 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.417 8.225 3.621 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.577 8.222 2.052 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.836 9.754 2.920 1.00 0.00 H new ATOM 325 N ILE A 18 8.673 9.394 0.588 1.00 0.00 N ATOM 326 CA ILE A 18 8.745 8.979 -0.808 1.00 0.00 C ATOM 327 C ILE A 18 10.153 8.523 -1.173 1.00 0.00 C ATOM 328 O ILE A 18 11.129 9.233 -0.933 1.00 0.00 O ATOM 329 CB ILE A 18 8.322 10.115 -1.757 1.00 0.00 C ATOM 330 CG1 ILE A 18 6.821 10.383 -1.630 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.684 9.768 -3.193 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.362 11.617 -2.374 1.00 0.00 C ATOM 0 H ILE A 18 9.044 10.327 0.770 1.00 0.00 H new ATOM 0 HA ILE A 18 8.053 8.145 -0.925 1.00 0.00 H new ATOM 0 HB ILE A 18 8.859 11.021 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.273 9.518 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.567 10.489 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.379 10.581 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.761 9.623 -3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.172 8.852 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.288 11.744 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.883 12.492 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.584 11.506 -3.435 1.00 0.00 H new ATOM 344 N PHE A 19 10.251 7.334 -1.759 1.00 0.00 N ATOM 345 CA PHE A 19 11.540 6.783 -2.159 1.00 0.00 C ATOM 346 C PHE A 19 11.392 5.891 -3.389 1.00 0.00 C ATOM 347 O PHE A 19 10.286 5.482 -3.741 1.00 0.00 O ATOM 348 CB PHE A 19 12.158 5.985 -1.009 1.00 0.00 C ATOM 349 CG PHE A 19 11.209 5.004 -0.382 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.865 3.835 -1.041 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.661 5.251 0.866 1.00 0.00 C ATOM 352 CE1 PHE A 19 9.991 2.931 -0.467 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.789 4.350 1.446 1.00 0.00 C ATOM 354 CZ PHE A 19 9.452 3.189 0.779 1.00 0.00 C ATOM 0 H PHE A 19 9.453 6.734 -1.967 1.00 0.00 H new ATOM 0 HA PHE A 19 12.199 7.614 -2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.032 5.448 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.510 6.678 -0.244 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.285 3.628 -2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.918 6.159 1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.730 2.024 -0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.371 4.554 2.421 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.769 2.484 1.230 1.00 0.00 H new ATOM 364 N GLN A 20 12.515 5.597 -4.038 1.00 0.00 N ATOM 365 CA GLN A 20 12.510 4.755 -5.228 1.00 0.00 C ATOM 366 C GLN A 20 12.849 3.310 -4.875 1.00 0.00 C ATOM 367 O GLN A 20 13.863 3.039 -4.234 1.00 0.00 O ATOM 368 CB GLN A 20 13.507 5.288 -6.259 1.00 0.00 C ATOM 369 CG GLN A 20 13.104 5.005 -7.697 1.00 0.00 C ATOM 370 CD GLN A 20 13.804 5.914 -8.689 1.00 0.00 C ATOM 371 OE1 GLN A 20 13.131 6.217 -9.792 1.00 0.00 O flip ATOM 372 NE2 GLN A 20 14.938 6.339 -8.465 1.00 0.00 N flip ATOM 0 H GLN A 20 13.438 5.929 -3.760 1.00 0.00 H new ATOM 0 HA GLN A 20 11.508 4.779 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.614 6.364 -6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.485 4.844 -6.070 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.333 3.967 -7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.025 5.125 -7.798 1.00 0.00 H new ATOM 0 HE21 GLN A 20 15.419 6.080 -7.603 1.00 0.00 H new ATOM 0 HE22 GLN A 20 15.397 6.950 -9.141 1.00 0.00 H new ATOM 381 N GLY A 21 11.991 2.387 -5.299 1.00 0.00 N ATOM 382 CA GLY A 21 12.218 0.981 -5.018 1.00 0.00 C ATOM 383 C GLY A 21 11.934 0.097 -6.216 1.00 0.00 C ATOM 384 O GLY A 21 11.287 0.526 -7.171 1.00 0.00 O ATOM 0 H GLY A 21 11.144 2.587 -5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.252 0.839 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.585 0.673 -4.185 1.00 0.00 H new ATOM 388 N GLU A 22 12.420 -1.139 -6.167 1.00 0.00 N ATOM 389 CA GLU A 22 12.217 -2.083 -7.259 1.00 0.00 C ATOM 390 C GLU A 22 11.292 -3.219 -6.830 1.00 0.00 C ATOM 391 O GLU A 22 11.298 -3.637 -5.672 1.00 0.00 O ATOM 392 CB GLU A 22 13.557 -2.652 -7.727 1.00 0.00 C ATOM 393 CG GLU A 22 13.476 -3.395 -9.050 1.00 0.00 C ATOM 394 CD GLU A 22 14.840 -3.653 -9.661 1.00 0.00 C ATOM 395 OE1 GLU A 22 15.429 -2.704 -10.219 1.00 0.00 O ATOM 396 OE2 GLU A 22 15.318 -4.804 -9.580 1.00 0.00 O ATOM 0 H GLU A 22 12.957 -1.510 -5.383 1.00 0.00 H new ATOM 0 HA GLU A 22 11.749 -1.548 -8.086 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.275 -1.837 -7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.941 -3.328 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.965 -4.346 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.872 -2.817 -9.750 1.00 0.00 H new ATOM 403 N VAL A 23 10.496 -3.714 -7.774 1.00 0.00 N ATOM 404 CA VAL A 23 9.565 -4.801 -7.495 1.00 0.00 C ATOM 405 C VAL A 23 10.298 -6.132 -7.363 1.00 0.00 C ATOM 406 O VAL A 23 11.039 -6.535 -8.259 1.00 0.00 O ATOM 407 CB VAL A 23 8.498 -4.922 -8.599 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.731 -6.229 -8.459 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.552 -3.731 -8.559 1.00 0.00 C ATOM 0 H VAL A 23 10.478 -3.379 -8.737 1.00 0.00 H new ATOM 0 HA VAL A 23 9.075 -4.564 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 23 9.000 -4.925 -9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.981 -6.297 -9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.423 -7.067 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.239 -6.260 -7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.805 -3.833 -9.346 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.055 -3.693 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.117 -2.812 -8.713 1.00 0.00 H new ATOM 419 N ALA A 24 10.085 -6.809 -6.241 1.00 0.00 N ATOM 420 CA ALA A 24 10.723 -8.096 -5.992 1.00 0.00 C ATOM 421 C ALA A 24 9.695 -9.222 -5.961 1.00 0.00 C ATOM 422 O ALA A 24 10.034 -10.391 -6.142 1.00 0.00 O ATOM 423 CB ALA A 24 11.503 -8.055 -4.686 1.00 0.00 C ATOM 0 H ALA A 24 9.475 -6.488 -5.489 1.00 0.00 H new ATOM 0 HA ALA A 24 11.416 -8.294 -6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.974 -9.023 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.270 -7.283 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.824 -7.830 -3.864 1.00 0.00 H new ATOM 429 N MET A 25 8.437 -8.861 -5.729 1.00 0.00 N ATOM 430 CA MET A 25 7.359 -9.842 -5.676 1.00 0.00 C ATOM 431 C MET A 25 6.058 -9.251 -6.210 1.00 0.00 C ATOM 432 O MET A 25 5.693 -8.124 -5.875 1.00 0.00 O ATOM 433 CB MET A 25 7.158 -10.332 -4.241 1.00 0.00 C ATOM 434 CG MET A 25 6.319 -11.595 -4.141 1.00 0.00 C ATOM 435 SD MET A 25 6.683 -12.556 -2.659 1.00 0.00 S ATOM 436 CE MET A 25 5.104 -13.355 -2.378 1.00 0.00 C ATOM 0 H MET A 25 8.139 -7.898 -5.575 1.00 0.00 H new ATOM 0 HA MET A 25 7.639 -10.686 -6.306 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.133 -10.517 -3.789 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.682 -9.542 -3.660 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.263 -11.326 -4.144 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.493 -12.213 -5.022 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.168 -13.987 -1.492 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.335 -12.598 -2.228 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.847 -13.967 -3.242 1.00 0.00 H new ATOM 446 N VAL A 26 5.363 -10.019 -7.045 1.00 0.00 N ATOM 447 CA VAL A 26 4.102 -9.571 -7.625 1.00 0.00 C ATOM 448 C VAL A 26 2.957 -10.496 -7.231 1.00 0.00 C ATOM 449 O VAL A 26 3.009 -11.703 -7.467 1.00 0.00 O ATOM 450 CB VAL A 26 4.186 -9.500 -9.161 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.882 -8.977 -9.744 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.358 -8.632 -9.591 1.00 0.00 C ATOM 0 H VAL A 26 5.652 -10.953 -7.334 1.00 0.00 H new ATOM 0 HA VAL A 26 3.909 -8.573 -7.233 1.00 0.00 H new ATOM 0 HB VAL A 26 4.349 -10.507 -9.545 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.961 -8.934 -10.830 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.066 -9.643 -9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.684 -7.978 -9.355 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.402 -8.593 -10.679 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.228 -7.624 -9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.285 -9.056 -9.205 1.00 0.00 H new ATOM 462 N THR A 27 1.920 -9.921 -6.628 1.00 0.00 N ATOM 463 CA THR A 27 0.762 -10.694 -6.200 1.00 0.00 C ATOM 464 C THR A 27 -0.532 -10.080 -6.723 1.00 0.00 C ATOM 465 O THR A 27 -0.566 -8.909 -7.103 1.00 0.00 O ATOM 466 CB THR A 27 0.685 -10.788 -4.664 1.00 0.00 C ATOM 467 OG1 THR A 27 0.420 -9.497 -4.105 1.00 0.00 O ATOM 468 CG2 THR A 27 1.983 -11.337 -4.091 1.00 0.00 C ATOM 0 H THR A 27 1.860 -8.923 -6.426 1.00 0.00 H new ATOM 0 HA THR A 27 0.881 -11.696 -6.613 1.00 0.00 H new ATOM 0 HB THR A 27 -0.126 -11.468 -4.404 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.043 -9.601 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.906 -11.395 -3.005 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.167 -12.333 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.808 -10.678 -4.362 1.00 0.00 H new ATOM 476 N ASP A 28 -1.594 -10.877 -6.742 1.00 0.00 N ATOM 477 CA ASP A 28 -2.892 -10.411 -7.219 1.00 0.00 C ATOM 478 C ASP A 28 -3.501 -9.410 -6.244 1.00 0.00 C ATOM 479 O ASP A 28 -4.530 -8.796 -6.529 1.00 0.00 O ATOM 480 CB ASP A 28 -3.842 -11.595 -7.414 1.00 0.00 C ATOM 481 CG ASP A 28 -4.634 -11.913 -6.161 1.00 0.00 C ATOM 482 OD1 ASP A 28 -4.011 -12.277 -5.142 1.00 0.00 O ATOM 483 OD2 ASP A 28 -5.877 -11.798 -6.200 1.00 0.00 O ATOM 0 H ASP A 28 -1.583 -11.849 -6.433 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.743 -9.913 -8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.531 -11.374 -8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.268 -12.473 -7.710 1.00 0.00 H new ATOM 488 N TYR A 29 -2.859 -9.247 -5.093 1.00 0.00 N ATOM 489 CA TYR A 29 -3.339 -8.321 -4.074 1.00 0.00 C ATOM 490 C TYR A 29 -2.358 -7.170 -3.877 1.00 0.00 C ATOM 491 O TYR A 29 -2.475 -6.393 -2.930 1.00 0.00 O ATOM 492 CB TYR A 29 -3.555 -9.055 -2.749 1.00 0.00 C ATOM 493 CG TYR A 29 -2.305 -9.716 -2.213 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.379 -8.997 -1.467 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.051 -11.061 -2.452 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.236 -9.597 -0.976 1.00 0.00 C ATOM 497 CE2 TYR A 29 -0.911 -11.670 -1.964 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.007 -10.934 -1.227 1.00 0.00 C ATOM 499 OH TYR A 29 1.130 -11.536 -0.739 1.00 0.00 O ATOM 0 H TYR A 29 -2.004 -9.744 -4.842 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.290 -7.909 -4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.928 -8.348 -2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.327 -9.812 -2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.556 -7.950 -1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.757 -11.640 -3.029 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.474 -9.023 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.729 -12.717 -2.159 1.00 0.00 H new ATOM 0 HH TYR A 29 1.140 -12.480 -1.003 1.00 0.00 H new ATOM 509 N GLY A 30 -1.387 -7.068 -4.780 1.00 0.00 N ATOM 510 CA GLY A 30 -0.398 -6.009 -4.690 1.00 0.00 C ATOM 511 C GLY A 30 0.991 -6.480 -5.072 1.00 0.00 C ATOM 512 O GLY A 30 1.154 -7.558 -5.642 1.00 0.00 O ATOM 0 H GLY A 30 -1.268 -7.700 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.691 -5.186 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.379 -5.619 -3.672 1.00 0.00 H new ATOM 516 N ALA A 31 1.996 -5.668 -4.759 1.00 0.00 N ATOM 517 CA ALA A 31 3.378 -6.007 -5.074 1.00 0.00 C ATOM 518 C ALA A 31 4.325 -5.525 -3.980 1.00 0.00 C ATOM 519 O ALA A 31 4.043 -4.545 -3.289 1.00 0.00 O ATOM 520 CB ALA A 31 3.776 -5.414 -6.417 1.00 0.00 C ATOM 0 H ALA A 31 1.879 -4.771 -4.288 1.00 0.00 H new ATOM 0 HA ALA A 31 3.454 -7.093 -5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.811 -5.676 -6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.126 -5.811 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.676 -4.329 -6.380 1.00 0.00 H new ATOM 526 N PHE A 32 5.446 -6.220 -3.825 1.00 0.00 N ATOM 527 CA PHE A 32 6.434 -5.862 -2.813 1.00 0.00 C ATOM 528 C PHE A 32 7.520 -4.968 -3.404 1.00 0.00 C ATOM 529 O PHE A 32 8.067 -5.259 -4.468 1.00 0.00 O ATOM 530 CB PHE A 32 7.064 -7.123 -2.218 1.00 0.00 C ATOM 531 CG PHE A 32 6.129 -7.904 -1.340 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.084 -8.629 -1.890 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.294 -7.913 0.035 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.221 -9.349 -1.086 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.435 -8.631 0.846 1.00 0.00 C ATOM 536 CZ PHE A 32 4.396 -9.350 0.284 1.00 0.00 C ATOM 0 H PHE A 32 5.694 -7.034 -4.387 1.00 0.00 H new ATOM 0 HA PHE A 32 5.925 -5.310 -2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.409 -7.764 -3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.943 -6.841 -1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.942 -8.631 -2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.103 -7.352 0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.411 -9.910 -1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.575 -8.630 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.723 -9.911 0.915 1.00 0.00 H new ATOM 546 N ILE A 33 7.824 -3.878 -2.707 1.00 0.00 N ATOM 547 CA ILE A 33 8.844 -2.941 -3.162 1.00 0.00 C ATOM 548 C ILE A 33 10.039 -2.928 -2.216 1.00 0.00 C ATOM 549 O ILE A 33 9.882 -2.821 -1.000 1.00 0.00 O ATOM 550 CB ILE A 33 8.283 -1.512 -3.283 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.053 -1.498 -4.195 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.351 -0.566 -3.810 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.313 -2.080 -5.567 1.00 0.00 C ATOM 0 H ILE A 33 7.379 -3.622 -1.826 1.00 0.00 H new ATOM 0 HA ILE A 33 9.167 -3.280 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 33 7.981 -1.172 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.250 -2.059 -3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.703 -0.471 -4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.939 0.440 -3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.199 -0.557 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.681 -0.902 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.399 -2.038 -6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.094 -1.505 -6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.633 -3.117 -5.468 1.00 0.00 H new ATOM 565 N LYS A 34 11.237 -3.035 -2.783 1.00 0.00 N ATOM 566 CA LYS A 34 12.461 -3.032 -1.990 1.00 0.00 C ATOM 567 C LYS A 34 12.933 -1.607 -1.723 1.00 0.00 C ATOM 568 O LYS A 34 13.083 -0.808 -2.649 1.00 0.00 O ATOM 569 CB LYS A 34 13.560 -3.817 -2.711 1.00 0.00 C ATOM 570 CG LYS A 34 13.262 -5.301 -2.840 1.00 0.00 C ATOM 571 CD LYS A 34 14.536 -6.112 -3.012 1.00 0.00 C ATOM 572 CE LYS A 34 15.050 -6.047 -4.441 1.00 0.00 C ATOM 573 NZ LYS A 34 15.920 -4.859 -4.664 1.00 0.00 N ATOM 0 H LYS A 34 11.386 -3.125 -3.788 1.00 0.00 H new ATOM 0 HA LYS A 34 12.247 -3.510 -1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.703 -3.396 -3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.499 -3.689 -2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.728 -5.644 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.605 -5.468 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.301 -5.738 -2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.347 -7.150 -2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.610 -6.955 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.206 -6.013 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.515 -4.269 -5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.982 -4.304 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.871 -5.173 -4.943 1.00 0.00 H new ATOM 587 N ILE A 35 13.165 -1.294 -0.452 1.00 0.00 N ATOM 588 CA ILE A 35 13.622 0.035 -0.065 1.00 0.00 C ATOM 589 C ILE A 35 15.142 0.136 -0.137 1.00 0.00 C ATOM 590 O ILE A 35 15.870 -0.703 0.393 1.00 0.00 O ATOM 591 CB ILE A 35 13.161 0.395 1.360 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.633 0.445 1.428 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.760 1.726 1.789 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.086 0.329 2.833 1.00 0.00 C ATOM 0 H ILE A 35 13.044 -1.942 0.326 1.00 0.00 H new ATOM 0 HA ILE A 35 13.180 0.739 -0.770 1.00 0.00 H new ATOM 0 HB ILE A 35 13.511 -0.377 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.288 1.381 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.224 -0.362 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.425 1.967 2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.848 1.657 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.437 2.509 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.997 0.372 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.400 -0.619 3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.466 1.151 3.440 1.00 0.00 H new ATOM 606 N PRO A 36 15.633 1.190 -0.806 1.00 0.00 N ATOM 607 CA PRO A 36 17.072 1.428 -0.960 1.00 0.00 C ATOM 608 C PRO A 36 17.738 1.826 0.352 1.00 0.00 C ATOM 609 O PRO A 36 17.372 2.827 0.966 1.00 0.00 O ATOM 610 CB PRO A 36 17.134 2.582 -1.963 1.00 0.00 C ATOM 611 CG PRO A 36 15.832 3.290 -1.808 1.00 0.00 C ATOM 612 CD PRO A 36 14.823 2.230 -1.462 1.00 0.00 C ATOM 0 HA PRO A 36 17.601 0.532 -1.286 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.973 3.245 -1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.266 2.215 -2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.889 4.045 -1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.556 3.806 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.048 2.614 -0.799 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.321 1.848 -2.351 1.00 0.00 H new ATOM 620 N GLY A 37 18.719 1.035 0.777 1.00 0.00 N ATOM 621 CA GLY A 37 19.421 1.323 2.014 1.00 0.00 C ATOM 622 C GLY A 37 18.747 0.701 3.221 1.00 0.00 C ATOM 623 O GLY A 37 18.859 1.213 4.335 1.00 0.00 O ATOM 0 H GLY A 37 19.040 0.200 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.444 0.953 1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.481 2.403 2.151 1.00 0.00 H new ATOM 627 N CYS A 38 18.043 -0.404 2.999 1.00 0.00 N ATOM 628 CA CYS A 38 17.346 -1.096 4.078 1.00 0.00 C ATOM 629 C CYS A 38 17.359 -2.605 3.855 1.00 0.00 C ATOM 630 O CYS A 38 17.855 -3.087 2.837 1.00 0.00 O ATOM 631 CB CYS A 38 15.905 -0.596 4.184 1.00 0.00 C ATOM 632 SG CYS A 38 15.745 1.051 4.912 1.00 0.00 S ATOM 0 H CYS A 38 17.940 -0.840 2.082 1.00 0.00 H new ATOM 0 HA CYS A 38 17.867 -0.881 5.011 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.461 -0.586 3.188 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.330 -1.303 4.782 1.00 0.00 H new ATOM 0 HG CYS A 38 16.902 1.644 4.901 1.00 0.00 H new ATOM 638 N ARG A 39 16.813 -3.344 4.815 1.00 0.00 N ATOM 639 CA ARG A 39 16.764 -4.798 4.724 1.00 0.00 C ATOM 640 C ARG A 39 15.323 -5.289 4.629 1.00 0.00 C ATOM 641 O ARG A 39 15.057 -6.370 4.102 1.00 0.00 O ATOM 642 CB ARG A 39 17.450 -5.429 5.937 1.00 0.00 C ATOM 643 CG ARG A 39 17.394 -6.948 5.948 1.00 0.00 C ATOM 644 CD ARG A 39 18.307 -7.532 7.014 1.00 0.00 C ATOM 645 NE ARG A 39 18.493 -8.971 6.847 1.00 0.00 N ATOM 646 CZ ARG A 39 17.655 -9.881 7.330 1.00 0.00 C ATOM 647 NH1 ARG A 39 16.580 -9.504 8.007 1.00 0.00 N ATOM 648 NH2 ARG A 39 17.892 -11.172 7.137 1.00 0.00 N ATOM 0 H ARG A 39 16.399 -2.960 5.664 1.00 0.00 H new ATOM 0 HA ARG A 39 17.292 -5.098 3.819 1.00 0.00 H new ATOM 0 HB2 ARG A 39 18.493 -5.112 5.959 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.982 -5.050 6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.369 -7.274 6.127 1.00 0.00 H new ATOM 0 HG3 ARG A 39 17.684 -7.331 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 39 19.276 -7.034 6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 39 17.887 -7.333 8.000 1.00 0.00 H new ATOM 0 HE ARG A 39 19.311 -9.295 6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.394 -8.513 8.158 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.938 -10.205 8.377 1.00 0.00 H new ATOM 0 HH21 ARG A 39 18.719 -11.467 6.617 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.248 -11.870 7.509 1.00 0.00 H new ATOM 662 N LYS A 40 14.395 -4.488 5.141 1.00 0.00 N ATOM 663 CA LYS A 40 12.980 -4.839 5.113 1.00 0.00 C ATOM 664 C LYS A 40 12.299 -4.257 3.879 1.00 0.00 C ATOM 665 O LYS A 40 12.717 -3.224 3.358 1.00 0.00 O ATOM 666 CB LYS A 40 12.283 -4.335 6.379 1.00 0.00 C ATOM 667 CG LYS A 40 12.313 -5.328 7.527 1.00 0.00 C ATOM 668 CD LYS A 40 11.569 -6.606 7.177 1.00 0.00 C ATOM 669 CE LYS A 40 11.209 -7.400 8.424 1.00 0.00 C ATOM 670 NZ LYS A 40 10.791 -8.791 8.094 1.00 0.00 N ATOM 0 H LYS A 40 14.598 -3.590 5.581 1.00 0.00 H new ATOM 0 HA LYS A 40 12.902 -5.925 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.757 -3.407 6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.246 -4.097 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.347 -5.565 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.866 -4.876 8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.661 -6.361 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.185 -7.219 6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.066 -7.428 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.403 -6.895 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.554 -9.299 8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.958 -8.765 7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.569 -9.282 7.609 1.00 0.00 H new ATOM 684 N GLN A 41 11.247 -4.926 3.418 1.00 0.00 N ATOM 685 CA GLN A 41 10.508 -4.474 2.245 1.00 0.00 C ATOM 686 C GLN A 41 9.043 -4.224 2.588 1.00 0.00 C ATOM 687 O GLN A 41 8.483 -4.873 3.470 1.00 0.00 O ATOM 688 CB GLN A 41 10.613 -5.505 1.120 1.00 0.00 C ATOM 689 CG GLN A 41 12.025 -6.023 0.900 1.00 0.00 C ATOM 690 CD GLN A 41 12.066 -7.242 0.000 1.00 0.00 C ATOM 691 OE1 GLN A 41 11.031 -7.716 -0.470 1.00 0.00 O ATOM 692 NE2 GLN A 41 13.265 -7.759 -0.244 1.00 0.00 N ATOM 0 H GLN A 41 10.887 -5.783 3.839 1.00 0.00 H new ATOM 0 HA GLN A 41 10.949 -3.535 1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.958 -6.346 1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.250 -5.059 0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.634 -5.232 0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.471 -6.272 1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.097 -7.334 0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.354 -8.581 -0.842 1.00 0.00 H new ATOM 701 N GLY A 42 8.428 -3.279 1.883 1.00 0.00 N ATOM 702 CA GLY A 42 7.034 -2.961 2.127 1.00 0.00 C ATOM 703 C GLY A 42 6.116 -3.514 1.054 1.00 0.00 C ATOM 704 O GLY A 42 6.549 -3.778 -0.067 1.00 0.00 O ATOM 0 H GLY A 42 8.871 -2.728 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.737 -3.362 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.915 -1.879 2.180 1.00 0.00 H new ATOM 708 N LEU A 43 4.845 -3.691 1.400 1.00 0.00 N ATOM 709 CA LEU A 43 3.864 -4.218 0.458 1.00 0.00 C ATOM 710 C LEU A 43 2.936 -3.113 -0.036 1.00 0.00 C ATOM 711 O LEU A 43 2.531 -2.238 0.729 1.00 0.00 O ATOM 712 CB LEU A 43 3.045 -5.331 1.116 1.00 0.00 C ATOM 713 CG LEU A 43 1.753 -5.726 0.398 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.060 -6.587 -0.818 1.00 0.00 C ATOM 715 CD2 LEU A 43 0.819 -6.459 1.349 1.00 0.00 C ATOM 0 H LEU A 43 4.471 -3.478 2.324 1.00 0.00 H new ATOM 0 HA LEU A 43 4.400 -4.626 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.675 -6.216 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.793 -5.019 2.130 1.00 0.00 H new ATOM 0 HG LEU A 43 1.256 -4.817 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.129 -6.858 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.692 -6.029 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.579 -7.492 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.095 -6.733 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.309 -7.360 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.573 -5.810 2.189 1.00 0.00 H new ATOM 727 N VAL A 44 2.601 -3.160 -1.322 1.00 0.00 N ATOM 728 CA VAL A 44 1.718 -2.165 -1.919 1.00 0.00 C ATOM 729 C VAL A 44 0.386 -2.786 -2.324 1.00 0.00 C ATOM 730 O VAL A 44 0.321 -3.591 -3.254 1.00 0.00 O ATOM 731 CB VAL A 44 2.364 -1.510 -3.155 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.430 -0.475 -3.761 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.701 -0.884 -2.787 1.00 0.00 C ATOM 0 H VAL A 44 2.928 -3.877 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 44 1.544 -1.401 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 44 2.543 -2.283 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.904 -0.023 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.500 -0.957 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.216 0.298 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.144 -0.426 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.548 -0.123 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.370 -1.654 -2.404 1.00 0.00 H new ATOM 743 N HIS A 45 -0.676 -2.405 -1.621 1.00 0.00 N ATOM 744 CA HIS A 45 -2.009 -2.923 -1.909 1.00 0.00 C ATOM 745 C HIS A 45 -2.369 -2.712 -3.376 1.00 0.00 C ATOM 746 O HIS A 45 -1.926 -1.749 -4.002 1.00 0.00 O ATOM 747 CB HIS A 45 -3.047 -2.244 -1.014 1.00 0.00 C ATOM 748 CG HIS A 45 -4.269 -3.078 -0.777 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.429 -2.572 -0.230 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.508 -4.388 -1.017 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.329 -3.536 -0.143 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.795 -4.648 -0.614 1.00 0.00 N ATOM 0 H HIS A 45 -0.640 -1.740 -0.848 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.008 -3.994 -1.704 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.588 -2.006 -0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.344 -1.299 -1.468 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.816 -5.097 -1.446 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.331 -3.432 0.247 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.262 -5.553 -0.670 1.00 0.00 H new ATOM 760 N ARG A 46 -3.176 -3.620 -3.919 1.00 0.00 N ATOM 761 CA ARG A 46 -3.593 -3.533 -5.313 1.00 0.00 C ATOM 762 C ARG A 46 -4.348 -2.234 -5.575 1.00 0.00 C ATOM 763 O ARG A 46 -4.258 -1.658 -6.661 1.00 0.00 O ATOM 764 CB ARG A 46 -4.474 -4.729 -5.678 1.00 0.00 C ATOM 765 CG ARG A 46 -5.783 -4.779 -4.909 1.00 0.00 C ATOM 766 CD ARG A 46 -6.635 -5.965 -5.333 1.00 0.00 C ATOM 767 NE ARG A 46 -7.532 -6.406 -4.269 1.00 0.00 N ATOM 768 CZ ARG A 46 -8.060 -7.622 -4.208 1.00 0.00 C ATOM 769 NH1 ARG A 46 -7.780 -8.517 -5.146 1.00 0.00 N ATOM 770 NH2 ARG A 46 -8.867 -7.948 -3.207 1.00 0.00 N ATOM 0 H ARG A 46 -3.553 -4.423 -3.415 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.698 -3.545 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.691 -4.697 -6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.918 -5.648 -5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.576 -4.842 -3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.337 -3.855 -5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.221 -5.694 -6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.986 -6.791 -5.625 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.766 -5.742 -3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.158 -8.271 -5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.187 -9.451 -5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.083 -7.263 -2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.272 -8.883 -3.162 1.00 0.00 H new ATOM 784 N THR A 47 -5.094 -1.775 -4.574 1.00 0.00 N ATOM 785 CA THR A 47 -5.865 -0.545 -4.697 1.00 0.00 C ATOM 786 C THR A 47 -4.953 0.676 -4.717 1.00 0.00 C ATOM 787 O THR A 47 -5.332 1.740 -5.209 1.00 0.00 O ATOM 788 CB THR A 47 -6.875 -0.399 -3.543 1.00 0.00 C ATOM 789 OG1 THR A 47 -7.705 0.748 -3.761 1.00 0.00 O ATOM 790 CG2 THR A 47 -6.157 -0.266 -2.209 1.00 0.00 C ATOM 0 H THR A 47 -5.180 -2.238 -3.669 1.00 0.00 H new ATOM 0 HA THR A 47 -6.408 -0.604 -5.640 1.00 0.00 H new ATOM 0 HB THR A 47 -7.495 -1.295 -3.516 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.345 0.833 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.891 -0.164 -1.409 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.549 -1.153 -2.033 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.516 0.615 -2.227 1.00 0.00 H new ATOM 798 N HIS A 48 -3.748 0.518 -4.178 1.00 0.00 N ATOM 799 CA HIS A 48 -2.780 1.609 -4.135 1.00 0.00 C ATOM 800 C HIS A 48 -1.841 1.549 -5.336 1.00 0.00 C ATOM 801 O HIS A 48 -1.082 2.484 -5.589 1.00 0.00 O ATOM 802 CB HIS A 48 -1.974 1.552 -2.838 1.00 0.00 C ATOM 803 CG HIS A 48 -2.705 2.103 -1.653 1.00 0.00 C ATOM 804 ND1 HIS A 48 -2.908 3.451 -1.454 1.00 0.00 N ATOM 805 CD2 HIS A 48 -3.286 1.476 -0.603 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.580 3.631 -0.330 1.00 0.00 C ATOM 807 NE2 HIS A 48 -3.822 2.449 0.206 1.00 0.00 N ATOM 0 H HIS A 48 -3.419 -0.355 -3.765 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.328 2.551 -4.172 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.700 0.517 -2.636 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.046 2.107 -2.972 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.322 0.410 -0.433 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.880 4.584 0.080 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.325 2.285 1.078 1.00 0.00 H new ATOM 815 N MET A 49 -1.898 0.444 -6.071 1.00 0.00 N ATOM 816 CA MET A 49 -1.052 0.263 -7.246 1.00 0.00 C ATOM 817 C MET A 49 -1.455 1.225 -8.359 1.00 0.00 C ATOM 818 O MET A 49 -0.605 1.737 -9.087 1.00 0.00 O ATOM 819 CB MET A 49 -1.139 -1.179 -7.747 1.00 0.00 C ATOM 820 CG MET A 49 -0.309 -2.158 -6.931 1.00 0.00 C ATOM 821 SD MET A 49 -0.150 -3.767 -7.728 1.00 0.00 S ATOM 822 CE MET A 49 1.422 -3.577 -8.565 1.00 0.00 C ATOM 0 H MET A 49 -2.521 -0.340 -5.875 1.00 0.00 H new ATOM 0 HA MET A 49 -0.023 0.478 -6.958 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.181 -1.498 -7.731 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.810 -1.214 -8.786 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.684 -1.738 -6.767 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.766 -2.286 -5.950 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.889 -4.554 -8.688 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.261 -3.126 -9.544 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.074 -2.935 -7.973 1.00 0.00 H new ATOM 832 N SER A 50 -2.755 1.467 -8.485 1.00 0.00 N ATOM 833 CA SER A 50 -3.270 2.365 -9.512 1.00 0.00 C ATOM 834 C SER A 50 -4.580 3.008 -9.065 1.00 0.00 C ATOM 835 O SER A 50 -5.378 2.391 -8.360 1.00 0.00 O ATOM 836 CB SER A 50 -3.483 1.605 -10.822 1.00 0.00 C ATOM 837 OG SER A 50 -3.409 2.479 -11.936 1.00 0.00 O ATOM 0 H SER A 50 -3.472 1.054 -7.888 1.00 0.00 H new ATOM 0 HA SER A 50 -2.535 3.154 -9.672 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.730 0.823 -10.919 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.455 1.112 -10.806 1.00 0.00 H new ATOM 0 HG SER A 50 -3.547 1.969 -12.762 1.00 0.00 H new ATOM 843 N SER A 51 -4.793 4.252 -9.480 1.00 0.00 N ATOM 844 CA SER A 51 -6.003 4.982 -9.121 1.00 0.00 C ATOM 845 C SER A 51 -7.208 4.447 -9.888 1.00 0.00 C ATOM 846 O SER A 51 -8.279 4.238 -9.315 1.00 0.00 O ATOM 847 CB SER A 51 -5.827 6.475 -9.403 1.00 0.00 C ATOM 848 OG SER A 51 -6.160 6.783 -10.745 1.00 0.00 O ATOM 0 H SER A 51 -4.143 4.776 -10.066 1.00 0.00 H new ATOM 0 HA SER A 51 -6.180 4.840 -8.055 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.457 7.053 -8.727 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.796 6.767 -9.205 1.00 0.00 H new ATOM 0 HG SER A 51 -6.041 7.743 -10.899 1.00 0.00 H new ATOM 854 N CYS A 52 -7.026 4.227 -11.185 1.00 0.00 N ATOM 855 CA CYS A 52 -8.098 3.718 -12.031 1.00 0.00 C ATOM 856 C CYS A 52 -8.553 2.339 -11.562 1.00 0.00 C ATOM 857 O CYS A 52 -8.070 1.825 -10.554 1.00 0.00 O ATOM 858 CB CYS A 52 -7.636 3.645 -13.488 1.00 0.00 C ATOM 859 SG CYS A 52 -7.394 5.260 -14.266 1.00 0.00 S ATOM 0 H CYS A 52 -6.146 4.393 -11.673 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.941 4.405 -11.958 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.701 3.087 -13.534 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -8.371 3.083 -14.064 1.00 0.00 H new ATOM 0 HG CYS A 52 -7.002 5.095 -15.494 1.00 0.00 H new ATOM 865 N ARG A 53 -9.488 1.747 -12.298 1.00 0.00 N ATOM 866 CA ARG A 53 -10.012 0.431 -11.955 1.00 0.00 C ATOM 867 C ARG A 53 -8.915 -0.627 -12.034 1.00 0.00 C ATOM 868 O ARG A 53 -8.569 -1.100 -13.116 1.00 0.00 O ATOM 869 CB ARG A 53 -11.164 0.057 -12.890 1.00 0.00 C ATOM 870 CG ARG A 53 -12.010 -1.098 -12.380 1.00 0.00 C ATOM 871 CD ARG A 53 -12.758 -1.783 -13.514 1.00 0.00 C ATOM 872 NE ARG A 53 -13.991 -1.081 -13.858 1.00 0.00 N ATOM 873 CZ ARG A 53 -14.580 -1.167 -15.046 1.00 0.00 C ATOM 874 NH1 ARG A 53 -14.049 -1.921 -15.999 1.00 0.00 N ATOM 875 NH2 ARG A 53 -15.702 -0.498 -15.282 1.00 0.00 N ATOM 0 H ARG A 53 -9.898 2.159 -13.136 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.383 0.471 -10.931 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.802 0.929 -13.033 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.758 -0.205 -13.867 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.372 -1.822 -11.874 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.723 -0.730 -11.642 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.115 -1.837 -14.392 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.992 -2.808 -13.227 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.424 -0.492 -13.147 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.187 -2.436 -15.821 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.503 -1.986 -16.910 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.113 0.083 -14.551 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.153 -0.565 -16.194 1.00 0.00 H new ATOM 889 N VAL A 54 -8.370 -0.995 -10.877 1.00 0.00 N ATOM 890 CA VAL A 54 -7.313 -1.996 -10.815 1.00 0.00 C ATOM 891 C VAL A 54 -7.890 -3.407 -10.840 1.00 0.00 C ATOM 892 O VAL A 54 -8.594 -3.817 -9.917 1.00 0.00 O ATOM 893 CB VAL A 54 -6.455 -1.828 -9.547 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.274 -2.786 -9.570 1.00 0.00 C ATOM 895 CG2 VAL A 54 -5.981 -0.389 -9.411 1.00 0.00 C ATOM 0 H VAL A 54 -8.644 -0.614 -9.971 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.685 -1.847 -11.693 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.070 -2.068 -8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.680 -2.653 -8.666 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.639 -3.812 -9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.656 -2.581 -10.444 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.376 -0.289 -8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.383 -0.119 -10.281 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.844 0.274 -9.344 1.00 0.00 H new ATOM 905 N ASP A 55 -7.589 -4.145 -11.903 1.00 0.00 N ATOM 906 CA ASP A 55 -8.077 -5.512 -12.050 1.00 0.00 C ATOM 907 C ASP A 55 -6.926 -6.509 -11.977 1.00 0.00 C ATOM 908 O ASP A 55 -6.993 -7.499 -11.248 1.00 0.00 O ATOM 909 CB ASP A 55 -8.824 -5.669 -13.375 1.00 0.00 C ATOM 910 CG ASP A 55 -9.580 -6.981 -13.460 1.00 0.00 C ATOM 911 OD1 ASP A 55 -8.925 -8.045 -13.456 1.00 0.00 O ATOM 912 OD2 ASP A 55 -10.826 -6.944 -13.529 1.00 0.00 O ATOM 0 H ASP A 55 -7.009 -3.819 -12.676 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.764 -5.718 -11.229 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.523 -4.841 -13.495 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.113 -5.608 -14.199 1.00 0.00 H new ATOM 917 N LYS A 56 -5.872 -6.245 -12.741 1.00 0.00 N ATOM 918 CA LYS A 56 -4.705 -7.119 -12.765 1.00 0.00 C ATOM 919 C LYS A 56 -3.436 -6.343 -12.427 1.00 0.00 C ATOM 920 O LYS A 56 -2.836 -5.686 -13.277 1.00 0.00 O ATOM 921 CB LYS A 56 -4.563 -7.776 -14.140 1.00 0.00 C ATOM 922 CG LYS A 56 -5.276 -9.112 -14.252 1.00 0.00 C ATOM 923 CD LYS A 56 -4.647 -10.158 -13.347 1.00 0.00 C ATOM 924 CE LYS A 56 -5.268 -11.529 -13.565 1.00 0.00 C ATOM 925 NZ LYS A 56 -5.002 -12.447 -12.422 1.00 0.00 N ATOM 0 H LYS A 56 -5.802 -5.432 -13.353 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.847 -7.894 -12.011 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.956 -7.099 -14.899 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.505 -7.919 -14.357 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.327 -8.988 -13.990 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.244 -9.457 -15.285 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.575 -10.208 -13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.772 -9.862 -12.305 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.344 -11.423 -13.702 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.871 -11.966 -14.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.442 -13.371 -12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.976 -12.569 -12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.403 -12.043 -11.552 1.00 0.00 H new ATOM 939 N PRO A 57 -3.016 -6.420 -11.155 1.00 0.00 N ATOM 940 CA PRO A 57 -1.813 -5.732 -10.676 1.00 0.00 C ATOM 941 C PRO A 57 -0.534 -6.342 -11.239 1.00 0.00 C ATOM 942 O PRO A 57 0.543 -5.755 -11.132 1.00 0.00 O ATOM 943 CB PRO A 57 -1.875 -5.924 -9.159 1.00 0.00 C ATOM 944 CG PRO A 57 -2.679 -7.163 -8.967 1.00 0.00 C ATOM 945 CD PRO A 57 -3.682 -7.184 -10.087 1.00 0.00 C ATOM 0 HA PRO A 57 -1.790 -4.687 -10.986 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.878 -6.029 -8.732 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.342 -5.069 -8.670 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.044 -8.048 -8.995 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.177 -7.159 -7.997 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.910 -8.202 -10.403 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.625 -6.723 -9.791 1.00 0.00 H new ATOM 953 N SER A 58 -0.660 -7.522 -11.838 1.00 0.00 N ATOM 954 CA SER A 58 0.487 -8.213 -12.415 1.00 0.00 C ATOM 955 C SER A 58 0.826 -7.649 -13.791 1.00 0.00 C ATOM 956 O SER A 58 1.936 -7.827 -14.291 1.00 0.00 O ATOM 957 CB SER A 58 0.206 -9.713 -12.520 1.00 0.00 C ATOM 958 OG SER A 58 0.449 -10.365 -11.286 1.00 0.00 O ATOM 0 H SER A 58 -1.545 -8.019 -11.936 1.00 0.00 H new ATOM 0 HA SER A 58 1.342 -8.056 -11.758 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.829 -9.872 -12.821 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.834 -10.150 -13.296 1.00 0.00 H new ATOM 0 HG SER A 58 0.260 -11.322 -11.379 1.00 0.00 H new ATOM 964 N GLU A 59 -0.142 -6.968 -14.399 1.00 0.00 N ATOM 965 CA GLU A 59 0.053 -6.379 -15.718 1.00 0.00 C ATOM 966 C GLU A 59 0.510 -4.928 -15.604 1.00 0.00 C ATOM 967 O GLU A 59 0.784 -4.272 -16.610 1.00 0.00 O ATOM 968 CB GLU A 59 -1.242 -6.455 -16.531 1.00 0.00 C ATOM 969 CG GLU A 59 -1.711 -7.875 -16.799 1.00 0.00 C ATOM 970 CD GLU A 59 -2.540 -7.987 -18.063 1.00 0.00 C ATOM 971 OE1 GLU A 59 -1.945 -8.063 -19.159 1.00 0.00 O ATOM 972 OE2 GLU A 59 -3.784 -7.998 -17.957 1.00 0.00 O ATOM 0 H GLU A 59 -1.067 -6.811 -13.999 1.00 0.00 H new ATOM 0 HA GLU A 59 0.830 -6.947 -16.230 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.027 -5.917 -15.999 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.094 -5.945 -17.483 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.844 -8.531 -16.878 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.299 -8.225 -15.951 1.00 0.00 H new ATOM 979 N ILE A 60 0.590 -4.435 -14.373 1.00 0.00 N ATOM 980 CA ILE A 60 1.015 -3.061 -14.128 1.00 0.00 C ATOM 981 C ILE A 60 2.516 -2.989 -13.869 1.00 0.00 C ATOM 982 O ILE A 60 3.182 -2.036 -14.275 1.00 0.00 O ATOM 983 CB ILE A 60 0.269 -2.447 -12.929 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.207 -2.854 -12.956 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.406 -0.932 -12.940 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.009 -2.294 -11.803 1.00 0.00 C ATOM 0 H ILE A 60 0.367 -4.965 -13.530 1.00 0.00 H new ATOM 0 HA ILE A 60 0.775 -2.491 -15.026 1.00 0.00 H new ATOM 0 HB ILE A 60 0.715 -2.826 -12.009 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.651 -2.519 -13.893 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.276 -3.942 -12.942 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.127 -0.512 -12.087 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.460 -0.662 -12.879 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.017 -0.535 -13.863 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.045 -2.623 -11.887 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.590 -2.650 -10.862 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.971 -1.205 -11.828 1.00 0.00 H new ATOM 998 N VAL A 61 3.044 -4.003 -13.192 1.00 0.00 N ATOM 999 CA VAL A 61 4.468 -4.057 -12.880 1.00 0.00 C ATOM 1000 C VAL A 61 4.983 -5.491 -12.909 1.00 0.00 C ATOM 1001 O VAL A 61 4.206 -6.438 -13.025 1.00 0.00 O ATOM 1002 CB VAL A 61 4.764 -3.443 -11.498 1.00 0.00 C ATOM 1003 CG1 VAL A 61 4.102 -2.080 -11.367 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.302 -4.379 -10.391 1.00 0.00 C ATOM 0 H VAL A 61 2.507 -4.799 -12.848 1.00 0.00 H new ATOM 0 HA VAL A 61 4.982 -3.475 -13.645 1.00 0.00 H new ATOM 0 HB VAL A 61 5.841 -3.307 -11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.322 -1.662 -10.385 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.486 -1.413 -12.139 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.023 -2.187 -11.483 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.518 -3.931 -9.421 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.229 -4.548 -10.481 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.827 -5.330 -10.476 1.00 0.00 H new ATOM 1014 N ASP A 62 6.299 -5.643 -12.802 1.00 0.00 N ATOM 1015 CA ASP A 62 6.919 -6.962 -12.814 1.00 0.00 C ATOM 1016 C ASP A 62 8.283 -6.927 -12.133 1.00 0.00 C ATOM 1017 O ASP A 62 8.986 -5.917 -12.178 1.00 0.00 O ATOM 1018 CB ASP A 62 7.065 -7.468 -14.250 1.00 0.00 C ATOM 1019 CG ASP A 62 7.246 -6.339 -15.246 1.00 0.00 C ATOM 1020 OD1 ASP A 62 6.236 -5.697 -15.603 1.00 0.00 O ATOM 1021 OD2 ASP A 62 8.397 -6.098 -15.669 1.00 0.00 O ATOM 0 H ASP A 62 6.956 -4.869 -12.706 1.00 0.00 H new ATOM 0 HA ASP A 62 6.274 -7.644 -12.261 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.920 -8.142 -14.310 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.182 -8.048 -14.519 1.00 0.00 H new ATOM 1026 N VAL A 63 8.653 -8.037 -11.501 1.00 0.00 N ATOM 1027 CA VAL A 63 9.932 -8.134 -10.810 1.00 0.00 C ATOM 1028 C VAL A 63 11.069 -7.615 -11.683 1.00 0.00 C ATOM 1029 O VAL A 63 11.390 -8.201 -12.716 1.00 0.00 O ATOM 1030 CB VAL A 63 10.239 -9.585 -10.396 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.611 -9.678 -9.745 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.160 -10.111 -9.461 1.00 0.00 C ATOM 0 H VAL A 63 8.084 -8.882 -11.454 1.00 0.00 H new ATOM 0 HA VAL A 63 9.855 -7.518 -9.914 1.00 0.00 H new ATOM 0 HB VAL A 63 10.247 -10.205 -11.292 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.809 -10.711 -9.460 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.372 -9.344 -10.450 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.636 -9.045 -8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.392 -11.138 -9.178 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.118 -9.489 -8.567 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.195 -10.084 -9.967 1.00 0.00 H new ATOM 1042 N GLY A 64 11.677 -6.511 -11.260 1.00 0.00 N ATOM 1043 CA GLY A 64 12.773 -5.931 -12.015 1.00 0.00 C ATOM 1044 C GLY A 64 12.543 -4.469 -12.340 1.00 0.00 C ATOM 1045 O GLY A 64 13.494 -3.715 -12.544 1.00 0.00 O ATOM 0 H GLY A 64 11.430 -6.008 -10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.697 -6.032 -11.445 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.907 -6.489 -12.942 1.00 0.00 H new ATOM 1049 N ASP A 65 11.277 -4.067 -12.392 1.00 0.00 N ATOM 1050 CA ASP A 65 10.925 -2.686 -12.696 1.00 0.00 C ATOM 1051 C ASP A 65 11.042 -1.809 -11.452 1.00 0.00 C ATOM 1052 O ASP A 65 10.611 -2.193 -10.366 1.00 0.00 O ATOM 1053 CB ASP A 65 9.504 -2.610 -13.256 1.00 0.00 C ATOM 1054 CG ASP A 65 9.415 -3.126 -14.679 1.00 0.00 C ATOM 1055 OD1 ASP A 65 10.101 -4.122 -14.993 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.658 -2.536 -15.477 1.00 0.00 O ATOM 0 H ASP A 65 10.478 -4.679 -12.227 1.00 0.00 H new ATOM 0 HA ASP A 65 11.623 -2.316 -13.447 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.834 -3.189 -12.620 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.159 -1.577 -13.225 1.00 0.00 H new ATOM 1061 N LYS A 66 11.629 -0.629 -11.620 1.00 0.00 N ATOM 1062 CA LYS A 66 11.804 0.303 -10.512 1.00 0.00 C ATOM 1063 C LYS A 66 10.760 1.414 -10.567 1.00 0.00 C ATOM 1064 O LYS A 66 10.539 2.022 -11.614 1.00 0.00 O ATOM 1065 CB LYS A 66 13.209 0.908 -10.545 1.00 0.00 C ATOM 1066 CG LYS A 66 13.345 2.175 -9.717 1.00 0.00 C ATOM 1067 CD LYS A 66 14.739 2.769 -9.832 1.00 0.00 C ATOM 1068 CE LYS A 66 14.854 3.693 -11.034 1.00 0.00 C ATOM 1069 NZ LYS A 66 16.271 4.035 -11.338 1.00 0.00 N ATOM 0 H LYS A 66 11.992 -0.295 -12.513 1.00 0.00 H new ATOM 0 HA LYS A 66 11.674 -0.249 -9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.923 0.168 -10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.476 1.129 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.608 2.907 -10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.128 1.953 -8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.976 3.322 -8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.472 1.966 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.401 3.216 -11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.293 4.608 -10.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.306 4.666 -12.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.696 4.513 -10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.801 3.165 -11.545 1.00 0.00 H new ATOM 1083 N VAL A 67 10.119 1.675 -9.431 1.00 0.00 N ATOM 1084 CA VAL A 67 9.101 2.714 -9.349 1.00 0.00 C ATOM 1085 C VAL A 67 9.193 3.472 -8.030 1.00 0.00 C ATOM 1086 O VAL A 67 9.921 3.070 -7.122 1.00 0.00 O ATOM 1087 CB VAL A 67 7.684 2.124 -9.491 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.512 1.472 -10.854 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.408 1.128 -8.375 1.00 0.00 C ATOM 0 H VAL A 67 10.288 1.180 -8.555 1.00 0.00 H new ATOM 0 HA VAL A 67 9.285 3.402 -10.174 1.00 0.00 H new ATOM 0 HB VAL A 67 6.961 2.935 -9.409 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.506 1.061 -10.936 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.665 2.216 -11.635 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.242 0.671 -10.969 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.403 0.721 -8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.135 0.318 -8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.487 1.631 -7.411 1.00 0.00 H new ATOM 1099 N TRP A 68 8.452 4.569 -7.931 1.00 0.00 N ATOM 1100 CA TRP A 68 8.451 5.384 -6.721 1.00 0.00 C ATOM 1101 C TRP A 68 7.255 5.045 -5.838 1.00 0.00 C ATOM 1102 O TRP A 68 6.123 4.958 -6.316 1.00 0.00 O ATOM 1103 CB TRP A 68 8.429 6.870 -7.082 1.00 0.00 C ATOM 1104 CG TRP A 68 9.711 7.351 -7.693 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.996 7.452 -9.025 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.879 7.795 -6.996 1.00 0.00 C ATOM 1107 NE1 TRP A 68 11.273 7.931 -9.197 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.835 8.151 -7.968 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.211 7.929 -5.644 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 13.097 8.629 -7.630 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.465 8.404 -5.311 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.396 8.750 -6.299 1.00 0.00 C ATOM 0 H TRP A 68 7.844 4.915 -8.673 1.00 0.00 H new ATOM 0 HA TRP A 68 9.363 5.166 -6.165 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.611 7.056 -7.778 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.222 7.452 -6.184 1.00 0.00 H new ATOM 0 HD1 TRP A 68 9.318 7.194 -9.825 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.728 8.096 -10.095 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.500 7.666 -4.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.816 8.895 -8.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.732 8.510 -4.270 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.368 9.119 -6.006 1.00 0.00 H new ATOM 1123 N VAL A 69 7.511 4.856 -4.548 1.00 0.00 N ATOM 1124 CA VAL A 69 6.455 4.529 -3.598 1.00 0.00 C ATOM 1125 C VAL A 69 6.494 5.458 -2.390 1.00 0.00 C ATOM 1126 O VAL A 69 7.492 6.137 -2.146 1.00 0.00 O ATOM 1127 CB VAL A 69 6.567 3.071 -3.113 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.437 2.108 -4.284 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.881 2.854 -2.378 1.00 0.00 C ATOM 0 H VAL A 69 8.442 4.924 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 69 5.508 4.659 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 69 5.751 2.873 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.519 1.083 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.468 2.248 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.231 2.303 -5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.943 1.819 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.713 3.069 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.929 3.519 -1.515 1.00 0.00 H new ATOM 1139 N LYS A 70 5.402 5.483 -1.634 1.00 0.00 N ATOM 1140 CA LYS A 70 5.310 6.328 -0.449 1.00 0.00 C ATOM 1141 C LYS A 70 4.674 5.570 0.711 1.00 0.00 C ATOM 1142 O LYS A 70 3.582 5.014 0.579 1.00 0.00 O ATOM 1143 CB LYS A 70 4.497 7.587 -0.756 1.00 0.00 C ATOM 1144 CG LYS A 70 4.455 8.580 0.393 1.00 0.00 C ATOM 1145 CD LYS A 70 3.165 9.383 0.388 1.00 0.00 C ATOM 1146 CE LYS A 70 2.783 9.816 -1.018 1.00 0.00 C ATOM 1147 NZ LYS A 70 2.031 11.102 -1.018 1.00 0.00 N ATOM 0 H LYS A 70 4.567 4.927 -1.821 1.00 0.00 H new ATOM 0 HA LYS A 70 6.321 6.617 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.919 8.077 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.478 7.298 -1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.550 8.047 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.306 9.257 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.361 8.784 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.280 10.262 1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.684 9.922 -1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.176 9.040 -1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.152 11.575 -1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.021 10.914 -0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.394 11.717 -0.262 1.00 0.00 H new ATOM 1161 N LEU A 71 5.362 5.551 1.848 1.00 0.00 N ATOM 1162 CA LEU A 71 4.862 4.862 3.033 1.00 0.00 C ATOM 1163 C LEU A 71 3.557 5.485 3.517 1.00 0.00 C ATOM 1164 O LEU A 71 3.442 6.706 3.617 1.00 0.00 O ATOM 1165 CB LEU A 71 5.906 4.906 4.151 1.00 0.00 C ATOM 1166 CG LEU A 71 5.650 3.988 5.346 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.063 2.561 5.021 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.389 4.493 6.575 1.00 0.00 C ATOM 0 H LEU A 71 6.267 6.004 1.974 1.00 0.00 H new ATOM 0 HA LEU A 71 4.669 3.824 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.876 4.652 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.976 5.931 4.515 1.00 0.00 H new ATOM 0 HG LEU A 71 4.582 3.995 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.873 1.922 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.487 2.201 4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.125 2.536 4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.195 3.827 7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.460 4.518 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.043 5.497 6.820 1.00 0.00 H new ATOM 1180 N ILE A 72 2.578 4.638 3.816 1.00 0.00 N ATOM 1181 CA ILE A 72 1.282 5.106 4.291 1.00 0.00 C ATOM 1182 C ILE A 72 0.990 4.583 5.694 1.00 0.00 C ATOM 1183 O ILE A 72 0.199 5.167 6.433 1.00 0.00 O ATOM 1184 CB ILE A 72 0.146 4.673 3.347 1.00 0.00 C ATOM 1185 CG1 ILE A 72 0.201 3.163 3.105 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.235 5.429 2.030 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.774 2.684 2.053 1.00 0.00 C ATOM 0 H ILE A 72 2.658 3.624 3.738 1.00 0.00 H new ATOM 0 HA ILE A 72 1.328 6.195 4.313 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.808 4.912 3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.212 2.888 2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.005 2.645 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.575 5.112 1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.151 6.499 2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.192 5.218 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.680 1.605 1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.791 2.928 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.555 3.174 1.104 1.00 0.00 H new ATOM 1199 N GLY A 73 1.635 3.478 6.054 1.00 0.00 N ATOM 1200 CA GLY A 73 1.433 2.895 7.368 1.00 0.00 C ATOM 1201 C GLY A 73 2.559 1.962 7.768 1.00 0.00 C ATOM 1202 O GLY A 73 2.754 0.914 7.153 1.00 0.00 O ATOM 0 H GLY A 73 2.294 2.976 5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.346 3.692 8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.491 2.347 7.378 1.00 0.00 H new ATOM 1206 N ARG A 74 3.303 2.345 8.800 1.00 0.00 N ATOM 1207 CA ARG A 74 4.417 1.537 9.280 1.00 0.00 C ATOM 1208 C ARG A 74 4.185 1.089 10.720 1.00 0.00 C ATOM 1209 O ARG A 74 3.862 1.901 11.587 1.00 0.00 O ATOM 1210 CB ARG A 74 5.725 2.325 9.185 1.00 0.00 C ATOM 1211 CG ARG A 74 5.918 3.323 10.315 1.00 0.00 C ATOM 1212 CD ARG A 74 6.916 4.407 9.936 1.00 0.00 C ATOM 1213 NE ARG A 74 7.505 5.043 11.111 1.00 0.00 N ATOM 1214 CZ ARG A 74 6.900 5.996 11.812 1.00 0.00 C ATOM 1215 NH1 ARG A 74 5.694 6.420 11.458 1.00 0.00 N ATOM 1216 NH2 ARG A 74 7.501 6.526 12.870 1.00 0.00 N ATOM 0 H ARG A 74 3.154 3.210 9.320 1.00 0.00 H new ATOM 0 HA ARG A 74 4.487 0.651 8.649 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.561 1.626 9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.751 2.857 8.234 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.961 3.780 10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.266 2.802 11.207 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.707 3.974 9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.418 5.161 9.327 1.00 0.00 H new ATOM 0 HE ARG A 74 8.432 4.739 11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.229 6.014 10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.232 7.152 11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.428 6.202 13.146 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.036 7.258 13.408 1.00 0.00 H new ATOM 1230 N GLU A 75 4.350 -0.207 10.966 1.00 0.00 N ATOM 1231 CA GLU A 75 4.156 -0.761 12.301 1.00 0.00 C ATOM 1232 C GLU A 75 5.142 -1.894 12.567 1.00 0.00 C ATOM 1233 O GLU A 75 5.205 -2.867 11.816 1.00 0.00 O ATOM 1234 CB GLU A 75 2.722 -1.270 12.463 1.00 0.00 C ATOM 1235 CG GLU A 75 1.752 -0.210 12.958 1.00 0.00 C ATOM 1236 CD GLU A 75 1.751 -0.082 14.469 1.00 0.00 C ATOM 1237 OE1 GLU A 75 1.007 -0.837 15.127 1.00 0.00 O ATOM 1238 OE2 GLU A 75 2.493 0.776 14.992 1.00 0.00 O ATOM 0 H GLU A 75 4.617 -0.892 10.259 1.00 0.00 H new ATOM 0 HA GLU A 75 4.336 0.033 13.026 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.371 -1.653 11.505 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.719 -2.107 13.161 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.013 0.751 12.516 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.746 -0.455 12.617 1.00 0.00 H new ATOM 1245 N MET A 76 5.912 -1.760 13.643 1.00 0.00 N ATOM 1246 CA MET A 76 6.895 -2.773 14.011 1.00 0.00 C ATOM 1247 C MET A 76 6.537 -3.419 15.344 1.00 0.00 C ATOM 1248 O MET A 76 6.555 -2.766 16.388 1.00 0.00 O ATOM 1249 CB MET A 76 8.292 -2.153 14.090 1.00 0.00 C ATOM 1250 CG MET A 76 9.306 -3.029 14.808 1.00 0.00 C ATOM 1251 SD MET A 76 9.355 -2.721 16.584 1.00 0.00 S ATOM 1252 CE MET A 76 10.368 -4.091 17.136 1.00 0.00 C ATOM 0 H MET A 76 5.874 -0.960 14.275 1.00 0.00 H new ATOM 0 HA MET A 76 6.890 -3.545 13.241 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.649 -1.952 13.080 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.226 -1.193 14.602 1.00 0.00 H new ATOM 0 HG2 MET A 76 9.065 -4.077 14.631 1.00 0.00 H new ATOM 0 HG3 MET A 76 10.295 -2.854 14.385 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.491 -4.040 18.218 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.885 -5.031 16.870 1.00 0.00 H new ATOM 0 HE3 MET A 76 11.346 -4.037 16.657 1.00 0.00 H new ATOM 1262 N LYS A 77 6.212 -4.707 15.304 1.00 0.00 N ATOM 1263 CA LYS A 77 5.851 -5.443 16.510 1.00 0.00 C ATOM 1264 C LYS A 77 6.857 -6.555 16.791 1.00 0.00 C ATOM 1265 O LYS A 77 7.440 -7.123 15.869 1.00 0.00 O ATOM 1266 CB LYS A 77 4.447 -6.036 16.368 1.00 0.00 C ATOM 1267 CG LYS A 77 3.835 -6.471 17.688 1.00 0.00 C ATOM 1268 CD LYS A 77 2.492 -7.153 17.483 1.00 0.00 C ATOM 1269 CE LYS A 77 1.619 -6.382 16.504 1.00 0.00 C ATOM 1270 NZ LYS A 77 0.209 -6.862 16.521 1.00 0.00 N ATOM 0 H LYS A 77 6.191 -5.263 14.449 1.00 0.00 H new ATOM 0 HA LYS A 77 5.863 -4.746 17.348 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.795 -5.298 15.901 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.490 -6.894 15.697 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.516 -7.152 18.199 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.708 -5.603 18.335 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.650 -8.166 17.112 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.977 -7.241 18.440 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.644 -5.321 16.753 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.025 -6.483 15.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.353 -6.312 15.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.182 -7.868 16.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.187 -6.742 17.475 1.00 0.00 H new ATOM 1284 N ASN A 78 7.054 -6.859 18.069 1.00 0.00 N ATOM 1285 CA ASN A 78 7.989 -7.903 18.471 1.00 0.00 C ATOM 1286 C ASN A 78 7.597 -9.247 17.864 1.00 0.00 C ATOM 1287 O ASN A 78 8.384 -10.194 17.868 1.00 0.00 O ATOM 1288 CB ASN A 78 8.038 -8.015 19.996 1.00 0.00 C ATOM 1289 CG ASN A 78 6.983 -8.958 20.541 1.00 0.00 C ATOM 1290 OD1 ASN A 78 7.287 -10.250 20.537 1.00 0.00 O flip ATOM 1291 ND2 ASN A 78 5.907 -8.529 20.960 1.00 0.00 N flip ATOM 0 H ASN A 78 6.579 -6.397 18.844 1.00 0.00 H new ATOM 0 HA ASN A 78 8.978 -7.631 18.102 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.025 -8.364 20.300 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.900 -7.027 20.435 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.716 -7.527 20.944 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.207 -9.176 21.323 1.00 0.00 H new ATOM 1298 N ASP A 79 6.378 -9.322 17.343 1.00 0.00 N ATOM 1299 CA ASP A 79 5.882 -10.549 16.731 1.00 0.00 C ATOM 1300 C ASP A 79 6.118 -10.538 15.223 1.00 0.00 C ATOM 1301 O ASP A 79 6.344 -11.583 14.614 1.00 0.00 O ATOM 1302 CB ASP A 79 4.391 -10.724 17.024 1.00 0.00 C ATOM 1303 CG ASP A 79 4.117 -10.994 18.491 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.626 -12.008 19.013 1.00 0.00 O ATOM 1305 OD2 ASP A 79 3.395 -10.190 19.117 1.00 0.00 O ATOM 0 H ASP A 79 5.715 -8.547 17.332 1.00 0.00 H new ATOM 0 HA ASP A 79 6.430 -11.387 17.161 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.855 -9.826 16.717 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.001 -11.548 16.427 1.00 0.00 H new ATOM 1310 N ARG A 80 6.064 -9.351 14.630 1.00 0.00 N ATOM 1311 CA ARG A 80 6.270 -9.204 13.194 1.00 0.00 C ATOM 1312 C ARG A 80 6.259 -7.733 12.789 1.00 0.00 C ATOM 1313 O ARG A 80 5.697 -6.891 13.491 1.00 0.00 O ATOM 1314 CB ARG A 80 5.190 -9.964 12.422 1.00 0.00 C ATOM 1315 CG ARG A 80 3.794 -9.391 12.603 1.00 0.00 C ATOM 1316 CD ARG A 80 2.777 -10.118 11.739 1.00 0.00 C ATOM 1317 NE ARG A 80 2.941 -9.808 10.322 1.00 0.00 N ATOM 1318 CZ ARG A 80 2.241 -10.393 9.355 1.00 0.00 C ATOM 1319 NH1 ARG A 80 1.334 -11.313 9.652 1.00 0.00 N ATOM 1320 NH2 ARG A 80 2.448 -10.057 8.089 1.00 0.00 N ATOM 0 H ARG A 80 5.879 -8.476 15.121 1.00 0.00 H new ATOM 0 HA ARG A 80 7.246 -9.623 12.949 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.441 -9.958 11.361 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.190 -11.005 12.744 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.502 -9.465 13.651 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.799 -8.331 12.348 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.877 -11.193 11.889 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.771 -9.844 12.056 1.00 0.00 H new ATOM 0 HE ARG A 80 3.631 -9.104 10.059 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.172 -11.574 10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.798 -11.760 8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.145 -9.349 7.857 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.911 -10.506 7.348 1.00 0.00 H new ATOM 1334 N ILE A 81 6.882 -7.432 11.655 1.00 0.00 N ATOM 1335 CA ILE A 81 6.943 -6.063 11.159 1.00 0.00 C ATOM 1336 C ILE A 81 6.005 -5.866 9.972 1.00 0.00 C ATOM 1337 O ILE A 81 6.159 -6.506 8.932 1.00 0.00 O ATOM 1338 CB ILE A 81 8.374 -5.679 10.737 1.00 0.00 C ATOM 1339 CG1 ILE A 81 9.327 -5.787 11.929 1.00 0.00 C ATOM 1340 CG2 ILE A 81 8.397 -4.272 10.159 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.737 -5.339 11.618 1.00 0.00 C ATOM 0 H ILE A 81 7.351 -8.117 11.063 1.00 0.00 H new ATOM 0 HA ILE A 81 6.629 -5.417 11.979 1.00 0.00 H new ATOM 0 HB ILE A 81 8.708 -6.373 9.965 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.937 -5.187 12.751 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.351 -6.821 12.272 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.415 -4.016 9.866 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.746 -4.226 9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 81 8.047 -3.564 10.910 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.357 -5.443 12.509 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.146 -5.955 10.817 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.726 -4.295 11.304 1.00 0.00 H new ATOM 1353 N LYS A 82 5.033 -4.975 10.134 1.00 0.00 N ATOM 1354 CA LYS A 82 4.071 -4.691 9.077 1.00 0.00 C ATOM 1355 C LYS A 82 4.378 -3.355 8.408 1.00 0.00 C ATOM 1356 O LYS A 82 4.466 -2.322 9.072 1.00 0.00 O ATOM 1357 CB LYS A 82 2.649 -4.675 9.643 1.00 0.00 C ATOM 1358 CG LYS A 82 1.584 -5.034 8.621 1.00 0.00 C ATOM 1359 CD LYS A 82 1.523 -6.533 8.382 1.00 0.00 C ATOM 1360 CE LYS A 82 0.797 -7.249 9.511 1.00 0.00 C ATOM 1361 NZ LYS A 82 -0.666 -7.349 9.254 1.00 0.00 N ATOM 0 H LYS A 82 4.891 -4.437 10.989 1.00 0.00 H new ATOM 0 HA LYS A 82 4.148 -5.479 8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.591 -5.374 10.477 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.437 -3.683 10.043 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.613 -4.680 8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.793 -4.523 7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.015 -6.732 7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.534 -6.929 8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.213 -8.249 9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.966 -6.716 10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.125 -7.843 10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.068 -6.394 9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.828 -7.880 8.374 1.00 0.00 H new ATOM 1375 N VAL A 83 4.538 -3.382 7.088 1.00 0.00 N ATOM 1376 CA VAL A 83 4.832 -2.172 6.328 1.00 0.00 C ATOM 1377 C VAL A 83 3.960 -2.081 5.081 1.00 0.00 C ATOM 1378 O VAL A 83 3.816 -3.051 4.338 1.00 0.00 O ATOM 1379 CB VAL A 83 6.313 -2.119 5.910 1.00 0.00 C ATOM 1380 CG1 VAL A 83 7.170 -1.581 7.046 1.00 0.00 C ATOM 1381 CG2 VAL A 83 6.794 -3.494 5.475 1.00 0.00 C ATOM 0 H VAL A 83 4.469 -4.228 6.523 1.00 0.00 H new ATOM 0 HA VAL A 83 4.616 -1.327 6.981 1.00 0.00 H new ATOM 0 HB VAL A 83 6.408 -1.441 5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.213 -1.551 6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.840 -0.575 7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.071 -2.231 7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.843 -3.437 5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.685 -4.196 6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.200 -3.836 4.628 1.00 0.00 H new ATOM 1391 N SER A 84 3.378 -0.906 4.858 1.00 0.00 N ATOM 1392 CA SER A 84 2.516 -0.688 3.702 1.00 0.00 C ATOM 1393 C SER A 84 2.991 0.513 2.889 1.00 0.00 C ATOM 1394 O SER A 84 3.311 1.565 3.444 1.00 0.00 O ATOM 1395 CB SER A 84 1.069 -0.474 4.151 1.00 0.00 C ATOM 1396 OG SER A 84 0.385 -1.710 4.273 1.00 0.00 O ATOM 0 H SER A 84 3.488 -0.092 5.462 1.00 0.00 H new ATOM 0 HA SER A 84 2.565 -1.575 3.071 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.055 0.049 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.552 0.162 3.432 1.00 0.00 H new ATOM 0 HG SER A 84 -0.537 -1.547 4.563 1.00 0.00 H new ATOM 1402 N LEU A 85 3.035 0.346 1.572 1.00 0.00 N ATOM 1403 CA LEU A 85 3.470 1.416 0.681 1.00 0.00 C ATOM 1404 C LEU A 85 2.415 1.704 -0.382 1.00 0.00 C ATOM 1405 O LEU A 85 1.538 0.879 -0.639 1.00 0.00 O ATOM 1406 CB LEU A 85 4.794 1.041 0.012 1.00 0.00 C ATOM 1407 CG LEU A 85 5.893 0.523 0.941 1.00 0.00 C ATOM 1408 CD1 LEU A 85 7.042 -0.061 0.134 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.390 1.635 1.853 1.00 0.00 C ATOM 0 H LEU A 85 2.775 -0.519 1.098 1.00 0.00 H new ATOM 0 HA LEU A 85 3.612 2.317 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.594 0.279 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.173 1.917 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 85 5.473 -0.268 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.815 -0.425 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.676 -0.887 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.460 0.710 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.171 1.248 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.792 2.448 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.563 2.007 2.458 1.00 0.00 H new ATOM 1421 N SER A 86 2.506 2.879 -0.997 1.00 0.00 N ATOM 1422 CA SER A 86 1.557 3.276 -2.031 1.00 0.00 C ATOM 1423 C SER A 86 2.281 3.890 -3.225 1.00 0.00 C ATOM 1424 O SER A 86 3.268 4.607 -3.064 1.00 0.00 O ATOM 1425 CB SER A 86 0.544 4.275 -1.466 1.00 0.00 C ATOM 1426 OG SER A 86 -0.573 4.409 -2.327 1.00 0.00 O ATOM 0 H SER A 86 3.227 3.572 -0.797 1.00 0.00 H new ATOM 0 HA SER A 86 1.029 2.384 -2.367 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.211 3.944 -0.482 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.022 5.245 -1.331 1.00 0.00 H new ATOM 0 HG SER A 86 -1.399 4.294 -1.812 1.00 0.00 H new ATOM 1432 N MET A 87 1.783 3.602 -4.422 1.00 0.00 N ATOM 1433 CA MET A 87 2.380 4.126 -5.646 1.00 0.00 C ATOM 1434 C MET A 87 1.440 5.113 -6.330 1.00 0.00 C ATOM 1435 O MET A 87 1.883 6.038 -7.010 1.00 0.00 O ATOM 1436 CB MET A 87 2.725 2.982 -6.601 1.00 0.00 C ATOM 1437 CG MET A 87 3.852 2.093 -6.103 1.00 0.00 C ATOM 1438 SD MET A 87 3.753 0.415 -6.755 1.00 0.00 S ATOM 1439 CE MET A 87 4.023 0.713 -8.501 1.00 0.00 C ATOM 0 H MET A 87 0.967 3.008 -4.572 1.00 0.00 H new ATOM 0 HA MET A 87 3.296 4.652 -5.378 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.836 2.372 -6.760 1.00 0.00 H new ATOM 0 HB3 MET A 87 3.003 3.399 -7.569 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.808 2.533 -6.386 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.827 2.057 -5.014 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.661 -0.070 -8.909 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.066 0.710 -9.023 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.506 1.681 -8.634 1.00 0.00 H new ATOM 1449 N LYS A 88 0.139 4.907 -6.148 1.00 0.00 N ATOM 1450 CA LYS A 88 -0.864 5.778 -6.749 1.00 0.00 C ATOM 1451 C LYS A 88 -0.725 7.206 -6.229 1.00 0.00 C ATOM 1452 O LYS A 88 -1.217 8.152 -6.846 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.269 5.250 -6.453 1.00 0.00 C ATOM 1454 CG LYS A 88 -2.759 5.573 -5.052 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.216 5.189 -4.866 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.727 5.586 -3.491 1.00 0.00 C ATOM 1457 NZ LYS A 88 -5.929 4.798 -3.096 1.00 0.00 N ATOM 0 H LYS A 88 -0.245 4.145 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.705 5.786 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.966 5.670 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.278 4.169 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.147 5.044 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.636 6.639 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.821 5.672 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.330 4.113 -5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.938 5.438 -2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.972 6.648 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.247 5.099 -2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.691 4.958 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.689 3.786 -3.074 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.054 7.355 -5.092 1.00 0.00 N ATOM 1472 CA VAL A 89 0.151 8.667 -4.492 1.00 0.00 C ATOM 1473 C VAL A 89 1.566 9.174 -4.747 1.00 0.00 C ATOM 1474 O VAL A 89 2.065 10.043 -4.032 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.104 8.636 -2.973 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.597 8.599 -2.682 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.601 7.445 -2.339 1.00 0.00 C ATOM 0 H VAL A 89 0.357 6.583 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.564 9.343 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 89 0.304 9.547 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.757 8.577 -1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.072 9.486 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.033 7.707 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.410 7.438 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.224 6.522 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.674 7.521 -2.516 1.00 0.00 H new ATOM 1487 N VAL A 90 2.207 8.627 -5.775 1.00 0.00 N ATOM 1488 CA VAL A 90 3.565 9.025 -6.127 1.00 0.00 C ATOM 1489 C VAL A 90 3.796 8.920 -7.631 1.00 0.00 C ATOM 1490 O VAL A 90 3.423 7.929 -8.258 1.00 0.00 O ATOM 1491 CB VAL A 90 4.611 8.161 -5.398 1.00 0.00 C ATOM 1492 CG1 VAL A 90 6.006 8.739 -5.584 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.267 8.043 -3.921 1.00 0.00 C ATOM 0 H VAL A 90 1.808 7.908 -6.378 1.00 0.00 H new ATOM 0 HA VAL A 90 3.681 10.063 -5.815 1.00 0.00 H new ATOM 0 HB VAL A 90 4.598 7.161 -5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.731 8.115 -5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.250 8.767 -6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.038 9.750 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.016 7.429 -3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.251 9.035 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.287 7.580 -3.812 1.00 0.00 H new ATOM 1503 N ASN A 91 4.413 9.948 -8.203 1.00 0.00 N ATOM 1504 CA ASN A 91 4.693 9.972 -9.634 1.00 0.00 C ATOM 1505 C ASN A 91 5.771 8.954 -9.994 1.00 0.00 C ATOM 1506 O ASN A 91 6.869 8.977 -9.438 1.00 0.00 O ATOM 1507 CB ASN A 91 5.133 11.373 -10.065 1.00 0.00 C ATOM 1508 CG ASN A 91 4.956 11.601 -11.554 1.00 0.00 C ATOM 1509 OD1 ASN A 91 5.837 11.009 -12.352 1.00 0.00 O flip ATOM 1510 ND2 ASN A 91 4.038 12.301 -11.982 1.00 0.00 N flip ATOM 0 H ASN A 91 4.729 10.776 -7.698 1.00 0.00 H new ATOM 0 HA ASN A 91 3.778 9.707 -10.163 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.557 12.117 -9.515 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.180 11.520 -9.799 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.384 12.737 -11.332 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.932 12.445 -12.986 1.00 0.00 H new ATOM 1517 N GLN A 92 5.450 8.065 -10.928 1.00 0.00 N ATOM 1518 CA GLN A 92 6.392 7.040 -11.362 1.00 0.00 C ATOM 1519 C GLN A 92 7.299 7.568 -12.468 1.00 0.00 C ATOM 1520 O GLN A 92 7.442 6.941 -13.518 1.00 0.00 O ATOM 1521 CB GLN A 92 5.640 5.800 -11.849 1.00 0.00 C ATOM 1522 CG GLN A 92 4.995 5.000 -10.728 1.00 0.00 C ATOM 1523 CD GLN A 92 3.623 5.524 -10.352 1.00 0.00 C ATOM 1524 OE1 GLN A 92 2.877 6.009 -11.202 1.00 0.00 O ATOM 1525 NE2 GLN A 92 3.284 5.427 -9.072 1.00 0.00 N ATOM 0 H GLN A 92 4.546 8.034 -11.399 1.00 0.00 H new ATOM 0 HA GLN A 92 7.013 6.767 -10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.869 6.107 -12.555 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.331 5.156 -12.392 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.910 3.957 -11.033 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.642 5.024 -9.851 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.935 5.017 -8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.373 5.762 -8.759 1.00 0.00 H new ATOM 1534 N GLY A 93 7.910 8.723 -12.226 1.00 0.00 N ATOM 1535 CA GLY A 93 8.795 9.314 -13.211 1.00 0.00 C ATOM 1536 C GLY A 93 9.747 10.325 -12.604 1.00 0.00 C ATOM 1537 O GLY A 93 10.891 10.455 -13.041 1.00 0.00 O ATOM 0 H GLY A 93 7.808 9.260 -11.365 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.369 8.526 -13.698 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.200 9.799 -13.985 1.00 0.00 H new ATOM 1541 N THR A 94 9.276 11.045 -11.590 1.00 0.00 N ATOM 1542 CA THR A 94 10.092 12.052 -10.922 1.00 0.00 C ATOM 1543 C THR A 94 10.157 11.798 -9.421 1.00 0.00 C ATOM 1544 O THR A 94 11.154 12.110 -8.772 1.00 0.00 O ATOM 1545 CB THR A 94 9.548 13.471 -11.169 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.198 13.566 -10.702 1.00 0.00 O ATOM 1547 CG2 THR A 94 9.605 13.823 -12.648 1.00 0.00 C ATOM 0 H THR A 94 8.333 10.949 -11.213 1.00 0.00 H new ATOM 0 HA THR A 94 11.094 11.978 -11.344 1.00 0.00 H new ATOM 0 HB THR A 94 10.172 14.176 -10.620 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.860 14.472 -10.861 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.215 14.830 -12.798 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.638 13.779 -12.993 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.002 13.113 -13.214 1.00 0.00 H new ATOM 1555 N GLY A 95 9.087 11.229 -8.874 1.00 0.00 N ATOM 1556 CA GLY A 95 9.045 10.943 -7.452 1.00 0.00 C ATOM 1557 C GLY A 95 8.476 12.094 -6.646 1.00 0.00 C ATOM 1558 O GLY A 95 8.821 12.275 -5.478 1.00 0.00 O ATOM 0 H GLY A 95 8.249 10.961 -9.390 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.442 10.051 -7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.052 10.719 -7.100 1.00 0.00 H new ATOM 1562 N LYS A 96 7.602 12.876 -7.269 1.00 0.00 N ATOM 1563 CA LYS A 96 6.983 14.016 -6.604 1.00 0.00 C ATOM 1564 C LYS A 96 5.673 13.611 -5.936 1.00 0.00 C ATOM 1565 O LYS A 96 4.851 12.916 -6.532 1.00 0.00 O ATOM 1566 CB LYS A 96 6.729 15.143 -7.608 1.00 0.00 C ATOM 1567 CG LYS A 96 6.710 16.525 -6.980 1.00 0.00 C ATOM 1568 CD LYS A 96 6.908 17.614 -8.020 1.00 0.00 C ATOM 1569 CE LYS A 96 5.600 17.973 -8.710 1.00 0.00 C ATOM 1570 NZ LYS A 96 5.827 18.550 -10.063 1.00 0.00 N ATOM 0 H LYS A 96 7.306 12.741 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 96 7.668 14.371 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.501 15.113 -8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.776 14.966 -8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.761 16.679 -6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.494 16.594 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.324 18.502 -7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.633 17.281 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.978 17.082 -8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.051 18.688 -8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.912 18.781 -10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.399 19.414 -9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.329 17.858 -10.656 1.00 0.00 H new ATOM 1584 N ASP A 97 5.485 14.053 -4.698 1.00 0.00 N ATOM 1585 CA ASP A 97 4.274 13.740 -3.949 1.00 0.00 C ATOM 1586 C ASP A 97 3.032 14.188 -4.713 1.00 0.00 C ATOM 1587 O ASP A 97 2.836 15.380 -4.955 1.00 0.00 O ATOM 1588 CB ASP A 97 4.310 14.407 -2.573 1.00 0.00 C ATOM 1589 CG ASP A 97 3.072 14.107 -1.751 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.007 13.855 -2.352 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.169 14.125 -0.507 1.00 0.00 O ATOM 0 H ASP A 97 6.156 14.630 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 97 4.228 12.659 -3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.193 14.068 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.407 15.485 -2.698 1.00 0.00 H new ATOM 1596 N LEU A 98 2.196 13.227 -5.091 1.00 0.00 N ATOM 1597 CA LEU A 98 0.973 13.523 -5.829 1.00 0.00 C ATOM 1598 C LEU A 98 -0.180 13.816 -4.874 1.00 0.00 C ATOM 1599 O LEU A 98 -1.034 14.657 -5.157 1.00 0.00 O ATOM 1600 CB LEU A 98 0.609 12.351 -6.742 1.00 0.00 C ATOM 1601 CG LEU A 98 1.611 12.027 -7.849 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.236 10.728 -8.545 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.687 13.169 -8.851 1.00 0.00 C ATOM 0 H LEU A 98 2.343 12.236 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 98 1.150 14.409 -6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.480 11.462 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.356 12.562 -7.203 1.00 0.00 H new ATOM 0 HG LEU A 98 2.595 11.902 -7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.961 10.514 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.235 9.914 -7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.243 10.824 -8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.406 12.921 -9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.705 13.327 -9.298 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.005 14.079 -8.342 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.198 13.121 -3.743 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.243 13.309 -2.745 1.00 0.00 C ATOM 1617 C ASP A 99 -0.670 13.898 -1.460 1.00 0.00 C ATOM 1618 O ASP A 99 -0.479 13.205 -0.461 1.00 0.00 O ATOM 1619 CB ASP A 99 -1.937 11.979 -2.446 1.00 0.00 C ATOM 1620 CG ASP A 99 -2.989 11.630 -3.480 1.00 0.00 C ATOM 1621 OD1 ASP A 99 -4.158 12.026 -3.295 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -2.643 10.958 -4.474 1.00 0.00 O ATOM 0 H ASP A 99 0.501 12.421 -3.494 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.974 14.009 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.192 11.184 -2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.402 12.028 -1.461 1.00 0.00 H new ATOM 1627 N PRO A 100 -0.386 15.209 -1.485 1.00 0.00 N ATOM 1628 CA PRO A 100 0.171 15.920 -0.330 1.00 0.00 C ATOM 1629 C PRO A 100 -0.836 16.060 0.805 1.00 0.00 C ATOM 1630 O PRO A 100 -0.462 16.299 1.953 1.00 0.00 O ATOM 1631 CB PRO A 100 0.530 17.294 -0.901 1.00 0.00 C ATOM 1632 CG PRO A 100 -0.380 17.471 -2.066 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.586 16.097 -2.642 1.00 0.00 C ATOM 0 HA PRO A 100 1.018 15.390 0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.383 18.081 -0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.576 17.335 -1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.328 17.911 -1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.058 18.142 -2.805 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.583 15.985 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.126 15.885 -3.439 1.00 0.00 H new ATOM 1641 N ASN A 101 -2.115 15.911 0.476 1.00 0.00 N ATOM 1642 CA ASN A 101 -3.177 16.022 1.471 1.00 0.00 C ATOM 1643 C ASN A 101 -3.235 14.774 2.346 1.00 0.00 C ATOM 1644 O ASN A 101 -3.400 14.862 3.562 1.00 0.00 O ATOM 1645 CB ASN A 101 -4.527 16.239 0.783 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.679 17.648 0.241 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -4.016 18.578 0.703 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -5.555 17.811 -0.743 1.00 0.00 N ATOM 0 H ASN A 101 -2.441 15.713 -0.470 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.958 16.880 2.107 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.635 15.525 -0.033 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.330 16.037 1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.701 18.736 -1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.082 17.011 -1.094 1.00 0.00 H new ATOM 1655 N ASN A 102 -3.098 13.610 1.717 1.00 0.00 N ATOM 1656 CA ASN A 102 -3.135 12.343 2.438 1.00 0.00 C ATOM 1657 C ASN A 102 -4.526 12.081 3.007 1.00 0.00 C ATOM 1658 O ASN A 102 -4.670 11.641 4.148 1.00 0.00 O ATOM 1659 CB ASN A 102 -2.103 12.345 3.568 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.783 12.960 3.144 1.00 0.00 C ATOM 1661 OD1 ASN A 102 -0.053 12.392 2.332 1.00 0.00 O ATOM 1662 ND2 ASN A 102 -0.471 14.127 3.695 1.00 0.00 N ATOM 0 H ASN A 102 -2.961 13.519 0.710 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.893 11.546 1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.501 12.897 4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.933 11.322 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.405 14.589 3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -1.107 14.561 4.364 1.00 0.00 H new ATOM 1669 N VAL A 103 -5.549 12.353 2.203 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.929 12.145 2.624 1.00 0.00 C ATOM 1671 C VAL A 103 -7.536 10.929 1.933 1.00 0.00 C ATOM 1672 O VAL A 103 -8.555 10.397 2.376 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.800 13.379 2.323 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -7.878 13.627 0.824 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -9.190 13.208 2.917 1.00 0.00 C ATOM 0 H VAL A 103 -5.448 12.718 1.256 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.910 11.977 3.701 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.337 14.250 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -8.498 14.503 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.876 13.798 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.316 12.758 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.792 14.089 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.664 12.327 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.111 13.085 3.997 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.906 10.494 0.848 1.00 0.00 N ATOM 1686 CA ILE A 104 -7.383 9.339 0.098 1.00 0.00 C ATOM 1687 C ILE A 104 -6.980 8.036 0.779 1.00 0.00 C ATOM 1688 O ILE A 104 -7.825 7.184 1.061 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.841 9.340 -1.343 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -7.397 10.535 -2.120 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -7.192 8.035 -2.043 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -6.638 11.821 -1.878 1.00 0.00 C ATOM 0 H ILE A 104 -6.063 10.924 0.468 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.470 9.410 0.069 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.755 9.428 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.377 10.306 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.441 10.682 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.802 8.052 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.751 7.200 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.275 7.917 -2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -7.088 12.624 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.680 12.074 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.599 11.692 -2.180 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.687 7.888 1.045 1.00 0.00 N ATOM 1705 CA ILE A 105 -5.173 6.690 1.697 1.00 0.00 C ATOM 1706 C ILE A 105 -5.975 6.360 2.951 1.00 0.00 C ATOM 1707 O ILE A 105 -6.029 5.207 3.378 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.689 6.849 2.077 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -3.539 7.847 3.227 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.878 7.298 0.871 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.556 7.200 4.595 1.00 0.00 C ATOM 0 H ILE A 105 -4.976 8.583 0.819 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.271 5.874 0.981 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.308 5.882 2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.604 8.393 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.345 8.579 3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.831 7.406 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.963 6.555 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.257 8.255 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.445 7.967 5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.502 6.677 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.733 6.489 4.671 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.598 7.379 3.534 1.00 0.00 N ATOM 1724 CA GLU A 106 -7.398 7.195 4.739 1.00 0.00 C ATOM 1725 C GLU A 106 -8.769 6.619 4.399 1.00 0.00 C ATOM 1726 O GLU A 106 -9.699 7.356 4.067 1.00 0.00 O ATOM 1727 CB GLU A 106 -7.560 8.526 5.478 1.00 0.00 C ATOM 1728 CG GLU A 106 -8.568 8.472 6.613 1.00 0.00 C ATOM 1729 CD GLU A 106 -7.961 7.971 7.909 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -7.362 8.789 8.639 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -8.084 6.762 8.193 1.00 0.00 O ATOM 0 H GLU A 106 -6.564 8.339 3.192 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.877 6.489 5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.592 8.831 5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.867 9.292 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.984 9.467 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.395 7.822 6.329 1.00 0.00 H new