USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 46 THR OG1 : rot -56:sc= 2.03 USER MOD Set 1.2: A 48 THR OG1 : rot -83:sc= 0.871 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -6.95! C(o=-6.9!,f=-10!) USER MOD Set 2.2: A 82 SER OG : rot 68:sc= 0.0873 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= -0.357 (180deg=-1.54!) USER MOD Single : A 28 HIS : no HD1:sc= -0.365 K(o=-0.36,f=-5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -132:sc= -2.01 (180deg=-2.57!) USER MOD Single : A 40 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 59 SER OG : rot 102:sc= 0.0169 USER MOD Single : A 60 ASN : amide:sc= 0.308 K(o=0.31,f=-3.2!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.236 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0.104 (180deg=0.0605) USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0748) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 85 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.361 -7.422 -3.332 1.00 0.00 N ATOM 215 CA ALA A 17 11.153 -7.589 -4.130 1.00 0.00 C ATOM 216 C ALA A 17 10.338 -6.300 -4.171 1.00 0.00 C ATOM 217 O ALA A 17 10.534 -5.405 -3.349 1.00 0.00 O ATOM 218 CB ALA A 17 10.311 -8.731 -3.580 1.00 0.00 C ATOM 0 HA ALA A 17 11.452 -7.831 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.412 -8.845 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.888 -9.655 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.029 -8.512 -2.550 1.00 0.00 H new ATOM 224 N SER A 18 9.425 -6.213 -5.132 1.00 0.00 N ATOM 225 CA SER A 18 8.583 -5.031 -5.282 1.00 0.00 C ATOM 226 C SER A 18 7.221 -5.404 -5.860 1.00 0.00 C ATOM 227 O SER A 18 7.133 -6.018 -6.923 1.00 0.00 O ATOM 228 CB SER A 18 9.268 -4.002 -6.183 1.00 0.00 C ATOM 229 OG SER A 18 10.059 -4.637 -7.173 1.00 0.00 O ATOM 0 H SER A 18 9.249 -6.946 -5.819 1.00 0.00 H new ATOM 0 HA SER A 18 8.432 -4.595 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.516 -3.375 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.894 -3.345 -5.579 1.00 0.00 H new ATOM 0 HG SER A 18 10.485 -3.958 -7.737 1.00 0.00 H new ATOM 235 N ALA A 19 6.161 -5.028 -5.151 1.00 0.00 N ATOM 236 CA ALA A 19 4.804 -5.320 -5.594 1.00 0.00 C ATOM 237 C ALA A 19 4.028 -4.036 -5.868 1.00 0.00 C ATOM 238 O ALA A 19 4.525 -2.935 -5.632 1.00 0.00 O ATOM 239 CB ALA A 19 4.080 -6.164 -4.555 1.00 0.00 C ATOM 0 H ALA A 19 6.217 -4.521 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 19 4.865 -5.883 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.067 -6.375 -4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.616 -7.102 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.037 -5.621 -3.611 1.00 0.00 H new ATOM 245 N THR A 20 2.806 -4.184 -6.371 1.00 0.00 N ATOM 246 CA THR A 20 1.961 -3.037 -6.679 1.00 0.00 C ATOM 247 C THR A 20 0.514 -3.294 -6.274 1.00 0.00 C ATOM 248 O THR A 20 0.075 -4.442 -6.197 1.00 0.00 O ATOM 249 CB THR A 20 2.008 -2.692 -8.180 1.00 0.00 C ATOM 250 OG1 THR A 20 2.226 -3.881 -8.949 1.00 0.00 O ATOM 251 CG2 THR A 20 3.111 -1.686 -8.470 1.00 0.00 C ATOM 0 H THR A 20 2.379 -5.088 -6.574 1.00 0.00 H new ATOM 0 HA THR A 20 2.351 -2.195 -6.107 1.00 0.00 H new ATOM 0 HB THR A 20 1.052 -2.249 -8.459 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.253 -3.654 -9.902 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.125 -1.458 -9.536 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.927 -0.772 -7.906 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.073 -2.106 -8.177 1.00 0.00 H new ATOM 259 N VAL A 21 -0.222 -2.218 -6.014 1.00 0.00 N ATOM 260 CA VAL A 21 -1.621 -2.327 -5.619 1.00 0.00 C ATOM 261 C VAL A 21 -2.505 -1.418 -6.465 1.00 0.00 C ATOM 262 O VAL A 21 -2.446 -0.195 -6.347 1.00 0.00 O ATOM 263 CB VAL A 21 -1.812 -1.972 -4.131 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.226 -0.602 -3.831 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.286 -2.024 -3.758 1.00 0.00 C ATOM 0 H VAL A 21 0.127 -1.261 -6.070 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.915 -3.364 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.281 -2.708 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.370 -0.368 -2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.160 -0.604 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.727 0.150 -4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.404 -1.771 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.841 -1.310 -4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.671 -3.028 -3.935 1.00 0.00 H new ATOM 275 N ALA A 22 -3.324 -2.025 -7.317 1.00 0.00 N ATOM 276 CA ALA A 22 -4.222 -1.270 -8.182 1.00 0.00 C ATOM 277 C ALA A 22 -5.344 -0.624 -7.378 1.00 0.00 C ATOM 278 O ALA A 22 -6.216 -1.312 -6.847 1.00 0.00 O ATOM 279 CB ALA A 22 -4.797 -2.174 -9.263 1.00 0.00 C ATOM 0 H ALA A 22 -3.384 -3.037 -7.427 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.647 -0.475 -8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.466 -1.597 -9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.985 -2.584 -9.864 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.352 -2.989 -8.798 1.00 0.00 H new ATOM 285 N ILE A 23 -5.315 0.702 -7.291 1.00 0.00 N ATOM 286 CA ILE A 23 -6.331 1.440 -6.550 1.00 0.00 C ATOM 287 C ILE A 23 -6.672 2.753 -7.245 1.00 0.00 C ATOM 288 O ILE A 23 -5.881 3.303 -8.013 1.00 0.00 O ATOM 289 CB ILE A 23 -5.873 1.739 -5.110 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.392 2.122 -5.093 1.00 0.00 C ATOM 291 CG2 ILE A 23 -6.124 0.535 -4.214 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.855 2.393 -3.705 1.00 0.00 C ATOM 0 H ILE A 23 -4.600 1.287 -7.724 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.218 0.807 -6.516 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.452 2.580 -4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.812 1.319 -5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.247 3.009 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.795 0.761 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.189 0.302 -4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.568 -0.323 -4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.800 2.659 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.410 3.216 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.968 1.500 -3.090 1.00 0.00 H new ATOM 304 N PRO A 24 -7.878 3.273 -6.973 1.00 0.00 N ATOM 305 CA PRO A 24 -8.352 4.529 -7.560 1.00 0.00 C ATOM 306 C PRO A 24 -7.599 5.740 -7.020 1.00 0.00 C ATOM 307 O PRO A 24 -7.285 5.810 -5.831 1.00 0.00 O ATOM 308 CB PRO A 24 -9.823 4.584 -7.144 1.00 0.00 C ATOM 309 CG PRO A 24 -9.896 3.761 -5.904 1.00 0.00 C ATOM 310 CD PRO A 24 -8.873 2.672 -6.068 1.00 0.00 C ATOM 0 HA PRO A 24 -8.200 4.557 -8.639 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.144 5.609 -6.959 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.470 4.183 -7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.684 4.365 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.894 3.342 -5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.429 2.390 -5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.311 1.770 -6.495 1.00 0.00 H new ATOM 318 N LYS A 25 -7.314 6.695 -7.899 1.00 0.00 N ATOM 319 CA LYS A 25 -6.599 7.906 -7.511 1.00 0.00 C ATOM 320 C LYS A 25 -7.319 8.619 -6.371 1.00 0.00 C ATOM 321 O LYS A 25 -6.761 9.513 -5.737 1.00 0.00 O ATOM 322 CB LYS A 25 -6.461 8.847 -8.710 1.00 0.00 C ATOM 323 CG LYS A 25 -5.450 8.375 -9.740 1.00 0.00 C ATOM 324 CD LYS A 25 -4.852 9.541 -10.510 1.00 0.00 C ATOM 325 CE LYS A 25 -5.673 9.870 -11.748 1.00 0.00 C ATOM 326 NZ LYS A 25 -5.957 8.657 -12.564 1.00 0.00 N ATOM 0 H LYS A 25 -7.567 6.654 -8.886 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.605 7.619 -7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.433 8.955 -9.191 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.170 9.835 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.655 7.820 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.932 7.687 -10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.799 10.417 -9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.830 9.299 -10.803 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.613 10.334 -11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.137 10.599 -12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.073 8.929 -13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.166 7.987 -12.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.831 8.207 -12.224 1.00 0.00 H new ATOM 340 N GLU A 26 -8.560 8.217 -6.116 1.00 0.00 N ATOM 341 CA GLU A 26 -9.354 8.819 -5.051 1.00 0.00 C ATOM 342 C GLU A 26 -8.960 8.251 -3.691 1.00 0.00 C ATOM 343 O GLU A 26 -9.144 8.897 -2.660 1.00 0.00 O ATOM 344 CB GLU A 26 -10.845 8.583 -5.301 1.00 0.00 C ATOM 345 CG GLU A 26 -11.334 7.222 -4.835 1.00 0.00 C ATOM 346 CD GLU A 26 -12.518 6.720 -5.637 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.330 6.387 -6.826 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.633 6.662 -5.077 1.00 0.00 O ATOM 0 H GLU A 26 -9.037 7.478 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.158 9.891 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.417 9.359 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.046 8.686 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.519 6.502 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.612 7.281 -3.783 1.00 0.00 H new ATOM 355 N HIS A 27 -8.417 7.037 -3.698 1.00 0.00 N ATOM 356 CA HIS A 27 -7.997 6.381 -2.465 1.00 0.00 C ATOM 357 C HIS A 27 -6.539 6.702 -2.149 1.00 0.00 C ATOM 358 O HIS A 27 -6.087 6.531 -1.016 1.00 0.00 O ATOM 359 CB HIS A 27 -8.184 4.868 -2.578 1.00 0.00 C ATOM 360 CG HIS A 27 -9.621 4.445 -2.643 1.00 0.00 C ATOM 361 ND1 HIS A 27 -10.017 3.187 -3.043 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.756 5.122 -2.354 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.335 3.109 -2.999 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.808 4.270 -2.584 1.00 0.00 N ATOM 0 H HIS A 27 -8.258 6.489 -4.543 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.619 6.757 -1.653 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.668 4.512 -3.470 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.710 4.387 -1.722 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.822 6.143 -2.007 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.925 2.243 -3.258 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.794 4.497 -2.455 1.00 0.00 H new ATOM 372 N HIS A 28 -5.809 7.168 -3.156 1.00 0.00 N ATOM 373 CA HIS A 28 -4.402 7.514 -2.985 1.00 0.00 C ATOM 374 C HIS A 28 -4.222 8.512 -1.846 1.00 0.00 C ATOM 375 O HIS A 28 -3.243 8.450 -1.101 1.00 0.00 O ATOM 376 CB HIS A 28 -3.836 8.093 -4.282 1.00 0.00 C ATOM 377 CG HIS A 28 -3.513 7.055 -5.311 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.744 7.315 -6.426 1.00 0.00 N ATOM 379 CD2 HIS A 28 -3.856 5.749 -5.390 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.631 6.214 -7.147 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.297 5.248 -6.539 1.00 0.00 N ATOM 0 H HIS A 28 -6.168 7.315 -4.099 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.857 6.604 -2.735 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.556 8.796 -4.701 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.933 8.659 -4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.458 5.202 -4.680 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.087 6.119 -8.075 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.382 4.287 -6.870 1.00 0.00 H new ATOM 389 N ARG A 29 -5.173 9.432 -1.716 1.00 0.00 N ATOM 390 CA ARG A 29 -5.118 10.445 -0.669 1.00 0.00 C ATOM 391 C ARG A 29 -5.222 9.805 0.712 1.00 0.00 C ATOM 392 O ARG A 29 -4.513 10.191 1.642 1.00 0.00 O ATOM 393 CB ARG A 29 -6.243 11.465 -0.857 1.00 0.00 C ATOM 394 CG ARG A 29 -7.634 10.854 -0.801 1.00 0.00 C ATOM 395 CD ARG A 29 -8.697 11.846 -1.247 1.00 0.00 C ATOM 396 NE ARG A 29 -8.750 11.974 -2.701 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.555 12.819 -3.335 1.00 0.00 C ATOM 398 NH1 ARG A 29 -10.368 13.607 -2.647 1.00 0.00 N ATOM 399 NH2 ARG A 29 -9.546 12.878 -4.661 1.00 0.00 N ATOM 0 H ARG A 29 -5.990 9.496 -2.323 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.158 10.956 -0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.160 12.231 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.113 11.964 -1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.670 9.970 -1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.847 10.524 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.670 11.526 -0.875 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.492 12.821 -0.804 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.135 11.382 -3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.377 13.566 -1.628 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.985 14.255 -3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.920 12.274 -5.194 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.165 13.527 -5.147 1.00 0.00 H new ATOM 413 N PHE A 30 -6.111 8.826 0.840 1.00 0.00 N ATOM 414 CA PHE A 30 -6.309 8.133 2.107 1.00 0.00 C ATOM 415 C PHE A 30 -5.012 7.486 2.583 1.00 0.00 C ATOM 416 O PHE A 30 -4.817 7.261 3.777 1.00 0.00 O ATOM 417 CB PHE A 30 -7.401 7.071 1.967 1.00 0.00 C ATOM 418 CG PHE A 30 -8.792 7.636 1.964 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.367 8.088 0.787 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.525 7.717 3.137 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.646 8.611 0.781 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.805 8.237 3.137 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.367 8.684 1.957 1.00 0.00 C ATOM 0 H PHE A 30 -6.706 8.494 0.081 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.620 8.868 2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.241 6.517 1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.309 6.357 2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.809 8.031 -0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.090 7.369 4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.082 8.962 -0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.365 8.294 4.058 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.368 9.090 1.954 1.00 0.00 H new ATOM 433 N VAL A 31 -4.125 7.190 1.637 1.00 0.00 N ATOM 434 CA VAL A 31 -2.845 6.569 1.957 1.00 0.00 C ATOM 435 C VAL A 31 -1.786 7.621 2.267 1.00 0.00 C ATOM 436 O VAL A 31 -0.942 7.428 3.143 1.00 0.00 O ATOM 437 CB VAL A 31 -2.347 5.680 0.803 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.096 4.920 1.214 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.442 4.721 0.359 1.00 0.00 C ATOM 0 H VAL A 31 -4.270 7.370 0.644 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.007 5.949 2.839 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.092 6.321 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.760 4.297 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.310 5.628 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.320 4.289 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.073 4.100 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.731 4.086 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.308 5.289 0.020 1.00 0.00 H new ATOM 449 N ILE A 32 -1.836 8.734 1.544 1.00 0.00 N ATOM 450 CA ILE A 32 -0.882 9.817 1.742 1.00 0.00 C ATOM 451 C ILE A 32 -1.085 10.486 3.098 1.00 0.00 C ATOM 452 O ILE A 32 -0.122 10.795 3.799 1.00 0.00 O ATOM 453 CB ILE A 32 -1.000 10.882 0.635 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.662 10.272 -0.727 1.00 0.00 C ATOM 455 CG2 ILE A 32 -0.089 12.062 0.935 1.00 0.00 C ATOM 456 CD1 ILE A 32 -1.068 11.141 -1.896 1.00 0.00 C ATOM 0 H ILE A 32 -2.528 8.909 0.815 1.00 0.00 H new ATOM 0 HA ILE A 32 0.112 9.373 1.702 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.028 11.242 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.411 10.088 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.156 9.304 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.184 12.805 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.373 12.508 1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.944 11.719 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.798 10.646 -2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.145 11.305 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.554 12.100 -1.832 1.00 0.00 H new ATOM 468 N GLY A 33 -2.344 10.705 3.463 1.00 0.00 N ATOM 469 CA GLY A 33 -2.650 11.334 4.734 1.00 0.00 C ATOM 470 C GLY A 33 -3.339 12.673 4.567 1.00 0.00 C ATOM 471 O GLY A 33 -3.390 13.222 3.466 1.00 0.00 O ATOM 0 H GLY A 33 -3.158 10.458 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.287 10.671 5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.728 11.471 5.299 1.00 0.00 H new ATOM 475 N LYS A 34 -3.873 13.204 5.663 1.00 0.00 N ATOM 476 CA LYS A 34 -4.563 14.487 5.635 1.00 0.00 C ATOM 477 C LYS A 34 -3.639 15.590 5.126 1.00 0.00 C ATOM 478 O LYS A 34 -3.989 16.329 4.207 1.00 0.00 O ATOM 479 CB LYS A 34 -5.079 14.842 7.031 1.00 0.00 C ATOM 480 CG LYS A 34 -6.415 14.201 7.367 1.00 0.00 C ATOM 481 CD LYS A 34 -7.554 14.853 6.601 1.00 0.00 C ATOM 482 CE LYS A 34 -7.771 16.292 7.044 1.00 0.00 C ATOM 483 NZ LYS A 34 -9.164 16.750 6.779 1.00 0.00 N ATOM 0 H LYS A 34 -3.840 12.764 6.583 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.409 14.402 4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.341 14.533 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.175 15.925 7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.379 13.137 7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.601 14.284 8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.337 14.829 5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.470 14.282 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.556 16.381 8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.069 16.942 6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.272 17.735 7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.361 16.690 5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.833 16.145 7.297 1.00 0.00 H new ATOM 497 N ASN A 35 -2.460 15.693 5.730 1.00 0.00 N ATOM 498 CA ASN A 35 -1.486 16.705 5.337 1.00 0.00 C ATOM 499 C ASN A 35 -0.295 16.068 4.629 1.00 0.00 C ATOM 500 O ASN A 35 0.470 16.747 3.945 1.00 0.00 O ATOM 501 CB ASN A 35 -1.007 17.485 6.564 1.00 0.00 C ATOM 502 CG ASN A 35 -2.129 18.257 7.232 1.00 0.00 C ATOM 503 OD1 ASN A 35 -2.376 19.418 6.908 1.00 0.00 O ATOM 504 ND2 ASN A 35 -2.813 17.613 8.171 1.00 0.00 N ATOM 0 H ASN A 35 -2.156 15.088 6.493 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.972 17.392 4.645 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.568 16.793 7.282 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.220 18.178 6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.578 18.081 8.656 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.573 16.650 8.407 1.00 0.00 H new ATOM 511 N GLY A 36 -0.145 14.757 4.796 1.00 0.00 N ATOM 512 CA GLY A 36 0.956 14.050 4.167 1.00 0.00 C ATOM 513 C GLY A 36 1.833 13.330 5.172 1.00 0.00 C ATOM 514 O GLY A 36 3.046 13.536 5.204 1.00 0.00 O ATOM 0 H GLY A 36 -0.766 14.172 5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.559 13.328 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.562 14.758 3.602 1.00 0.00 H new ATOM 518 N GLU A 37 1.218 12.487 5.995 1.00 0.00 N ATOM 519 CA GLU A 37 1.953 11.737 7.008 1.00 0.00 C ATOM 520 C GLU A 37 1.632 10.249 6.922 1.00 0.00 C ATOM 521 O GLU A 37 2.467 9.401 7.243 1.00 0.00 O ATOM 522 CB GLU A 37 1.619 12.262 8.406 1.00 0.00 C ATOM 523 CG GLU A 37 1.364 13.759 8.448 1.00 0.00 C ATOM 524 CD GLU A 37 1.659 14.362 9.809 1.00 0.00 C ATOM 525 OE1 GLU A 37 1.274 13.747 10.825 1.00 0.00 O ATOM 526 OE2 GLU A 37 2.272 15.449 9.857 1.00 0.00 O ATOM 0 H GLU A 37 0.214 12.306 5.981 1.00 0.00 H new ATOM 0 HA GLU A 37 3.018 11.873 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.738 11.741 8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.441 12.023 9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.981 14.250 7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.324 13.954 8.185 1.00 0.00 H new ATOM 533 N LYS A 38 0.417 9.935 6.486 1.00 0.00 N ATOM 534 CA LYS A 38 -0.016 8.549 6.355 1.00 0.00 C ATOM 535 C LYS A 38 0.935 7.764 5.457 1.00 0.00 C ATOM 536 O LYS A 38 1.032 6.540 5.559 1.00 0.00 O ATOM 537 CB LYS A 38 -1.437 8.488 5.789 1.00 0.00 C ATOM 538 CG LYS A 38 -2.038 7.093 5.803 1.00 0.00 C ATOM 539 CD LYS A 38 -2.529 6.712 7.190 1.00 0.00 C ATOM 540 CE LYS A 38 -2.576 5.203 7.370 1.00 0.00 C ATOM 541 NZ LYS A 38 -3.338 4.538 6.276 1.00 0.00 N ATOM 0 H LYS A 38 -0.286 10.623 6.217 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.007 8.097 7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.077 9.156 6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.427 8.860 4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.867 7.046 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.293 6.371 5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.872 7.149 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.522 7.130 7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.560 4.809 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.036 4.966 8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.016 3.864 6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.852 5.255 5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.679 4.030 5.653 1.00 0.00 H new ATOM 555 N LEU A 39 1.634 8.475 4.580 1.00 0.00 N ATOM 556 CA LEU A 39 2.579 7.844 3.665 1.00 0.00 C ATOM 557 C LEU A 39 3.967 7.756 4.291 1.00 0.00 C ATOM 558 O LEU A 39 4.643 6.733 4.184 1.00 0.00 O ATOM 559 CB LEU A 39 2.648 8.626 2.352 1.00 0.00 C ATOM 560 CG LEU A 39 3.915 8.428 1.518 1.00 0.00 C ATOM 561 CD1 LEU A 39 3.869 7.096 0.787 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.089 9.574 0.532 1.00 0.00 C ATOM 0 H LEU A 39 1.565 9.488 4.483 1.00 0.00 H new ATOM 0 HA LEU A 39 2.228 6.833 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.788 8.349 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.549 9.687 2.579 1.00 0.00 H new ATOM 0 HG LEU A 39 4.773 8.421 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.778 6.972 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.793 6.286 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.003 7.074 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.995 9.416 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.228 9.613 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.168 10.514 1.077 1.00 0.00 H new ATOM 574 N GLN A 40 4.386 8.835 4.945 1.00 0.00 N ATOM 575 CA GLN A 40 5.693 8.878 5.589 1.00 0.00 C ATOM 576 C GLN A 40 5.770 7.871 6.731 1.00 0.00 C ATOM 577 O GLN A 40 6.788 7.203 6.915 1.00 0.00 O ATOM 578 CB GLN A 40 5.979 10.286 6.115 1.00 0.00 C ATOM 579 CG GLN A 40 5.503 10.511 7.542 1.00 0.00 C ATOM 580 CD GLN A 40 5.767 11.922 8.029 1.00 0.00 C ATOM 581 OE1 GLN A 40 5.139 12.877 7.571 1.00 0.00 O ATOM 582 NE2 GLN A 40 6.701 12.061 8.962 1.00 0.00 N ATOM 0 H GLN A 40 3.839 9.691 5.043 1.00 0.00 H new ATOM 0 HA GLN A 40 6.446 8.615 4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.052 10.473 6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.498 11.014 5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.434 10.304 7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.002 9.803 8.203 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.197 11.242 9.313 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.923 12.987 9.328 1.00 0.00 H new ATOM 591 N ASP A 41 4.689 7.767 7.497 1.00 0.00 N ATOM 592 CA ASP A 41 4.635 6.840 8.622 1.00 0.00 C ATOM 593 C ASP A 41 4.567 5.396 8.133 1.00 0.00 C ATOM 594 O ASP A 41 5.155 4.498 8.736 1.00 0.00 O ATOM 595 CB ASP A 41 3.425 7.149 9.506 1.00 0.00 C ATOM 596 CG ASP A 41 3.630 6.705 10.941 1.00 0.00 C ATOM 597 OD1 ASP A 41 3.721 5.483 11.177 1.00 0.00 O ATOM 598 OD2 ASP A 41 3.698 7.581 11.829 1.00 0.00 O ATOM 0 H ASP A 41 3.839 8.313 7.359 1.00 0.00 H new ATOM 0 HA ASP A 41 5.546 6.964 9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.227 8.221 9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.544 6.654 9.098 1.00 0.00 H new ATOM 603 N LEU A 42 3.849 5.181 7.038 1.00 0.00 N ATOM 604 CA LEU A 42 3.703 3.846 6.467 1.00 0.00 C ATOM 605 C LEU A 42 5.049 3.307 5.993 1.00 0.00 C ATOM 606 O LEU A 42 5.443 2.196 6.345 1.00 0.00 O ATOM 607 CB LEU A 42 2.712 3.872 5.302 1.00 0.00 C ATOM 608 CG LEU A 42 1.245 3.637 5.664 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.354 3.860 4.452 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.051 2.234 6.220 1.00 0.00 C ATOM 0 H LEU A 42 3.358 5.914 6.526 1.00 0.00 H new ATOM 0 HA LEU A 42 3.321 3.185 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.792 4.838 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.013 3.115 4.578 1.00 0.00 H new ATOM 0 HG LEU A 42 0.961 4.354 6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.686 3.688 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.471 4.884 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.638 3.168 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.001 2.085 6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.352 1.501 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.660 2.110 7.115 1.00 0.00 H new ATOM 622 N GLU A 43 5.751 4.104 5.192 1.00 0.00 N ATOM 623 CA GLU A 43 7.053 3.707 4.671 1.00 0.00 C ATOM 624 C GLU A 43 8.006 3.344 5.807 1.00 0.00 C ATOM 625 O GLU A 43 8.885 2.496 5.649 1.00 0.00 O ATOM 626 CB GLU A 43 7.654 4.832 3.826 1.00 0.00 C ATOM 627 CG GLU A 43 7.111 4.885 2.408 1.00 0.00 C ATOM 628 CD GLU A 43 7.949 5.760 1.495 1.00 0.00 C ATOM 629 OE1 GLU A 43 9.192 5.692 1.585 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.359 6.513 0.691 1.00 0.00 O ATOM 0 H GLU A 43 5.439 5.027 4.891 1.00 0.00 H new ATOM 0 HA GLU A 43 6.912 2.827 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.460 5.786 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.736 4.707 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.070 3.875 2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.088 5.262 2.428 1.00 0.00 H new ATOM 637 N LEU A 44 7.827 3.995 6.951 1.00 0.00 N ATOM 638 CA LEU A 44 8.671 3.742 8.115 1.00 0.00 C ATOM 639 C LEU A 44 8.223 2.482 8.849 1.00 0.00 C ATOM 640 O LEU A 44 8.962 1.501 8.930 1.00 0.00 O ATOM 641 CB LEU A 44 8.634 4.940 9.064 1.00 0.00 C ATOM 642 CG LEU A 44 9.469 6.152 8.649 1.00 0.00 C ATOM 643 CD1 LEU A 44 9.093 7.369 9.480 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.954 5.848 8.786 1.00 0.00 C ATOM 0 H LEU A 44 7.106 4.701 7.098 1.00 0.00 H new ATOM 0 HA LEU A 44 9.693 3.593 7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.597 5.259 9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.972 4.610 10.046 1.00 0.00 H new ATOM 0 HG LEU A 44 9.259 6.373 7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.697 8.222 9.171 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.038 7.599 9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.274 7.160 10.534 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.533 6.721 8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.181 5.600 9.823 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.213 5.004 8.147 1.00 0.00 H new ATOM 656 N LYS A 45 7.006 2.515 9.381 1.00 0.00 N ATOM 657 CA LYS A 45 6.456 1.376 10.106 1.00 0.00 C ATOM 658 C LYS A 45 6.669 0.081 9.327 1.00 0.00 C ATOM 659 O LYS A 45 6.957 -0.965 9.909 1.00 0.00 O ATOM 660 CB LYS A 45 4.963 1.585 10.370 1.00 0.00 C ATOM 661 CG LYS A 45 4.324 0.462 11.169 1.00 0.00 C ATOM 662 CD LYS A 45 2.889 0.792 11.545 1.00 0.00 C ATOM 663 CE LYS A 45 1.924 0.442 10.422 1.00 0.00 C ATOM 664 NZ LYS A 45 1.445 -0.964 10.521 1.00 0.00 N ATOM 0 H LYS A 45 6.381 3.319 9.324 1.00 0.00 H new ATOM 0 HA LYS A 45 6.979 1.297 11.059 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.825 2.525 10.905 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.444 1.682 9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.346 -0.459 10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.906 0.281 12.073 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.613 0.245 12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.808 1.854 11.778 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.071 1.119 10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.416 0.591 9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.790 -1.163 9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.257 -1.612 10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.953 -1.100 11.427 1.00 0.00 H new ATOM 678 N THR A 46 6.526 0.159 8.008 1.00 0.00 N ATOM 679 CA THR A 46 6.703 -1.005 7.150 1.00 0.00 C ATOM 680 C THR A 46 8.121 -1.069 6.595 1.00 0.00 C ATOM 681 O THR A 46 8.583 -2.125 6.166 1.00 0.00 O ATOM 682 CB THR A 46 5.706 -0.995 5.976 1.00 0.00 C ATOM 683 OG1 THR A 46 6.068 0.021 5.033 1.00 0.00 O ATOM 684 CG2 THR A 46 4.289 -0.750 6.472 1.00 0.00 C ATOM 0 H THR A 46 6.288 1.017 7.511 1.00 0.00 H new ATOM 0 HA THR A 46 6.517 -1.883 7.768 1.00 0.00 H new ATOM 0 HB THR A 46 5.742 -1.970 5.490 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.122 0.887 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.603 -0.747 5.625 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.005 -1.540 7.167 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.243 0.213 6.980 1.00 0.00 H new ATOM 692 N ALA A 47 8.809 0.068 6.608 1.00 0.00 N ATOM 693 CA ALA A 47 10.176 0.140 6.108 1.00 0.00 C ATOM 694 C ALA A 47 10.239 -0.214 4.627 1.00 0.00 C ATOM 695 O ALA A 47 11.081 -1.005 4.201 1.00 0.00 O ATOM 696 CB ALA A 47 11.081 -0.782 6.912 1.00 0.00 C ATOM 0 H ALA A 47 8.442 0.952 6.960 1.00 0.00 H new ATOM 0 HA ALA A 47 10.525 1.166 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.099 -0.718 6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.069 -0.481 7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.724 -1.808 6.825 1.00 0.00 H new ATOM 702 N THR A 48 9.342 0.378 3.843 1.00 0.00 N ATOM 703 CA THR A 48 9.295 0.124 2.409 1.00 0.00 C ATOM 704 C THR A 48 9.414 1.420 1.616 1.00 0.00 C ATOM 705 O THR A 48 9.470 2.509 2.190 1.00 0.00 O ATOM 706 CB THR A 48 7.991 -0.592 2.008 1.00 0.00 C ATOM 707 OG1 THR A 48 6.865 0.246 2.294 1.00 0.00 O ATOM 708 CG2 THR A 48 7.849 -1.912 2.751 1.00 0.00 C ATOM 0 H THR A 48 8.639 1.036 4.178 1.00 0.00 H new ATOM 0 HA THR A 48 10.142 -0.521 2.175 1.00 0.00 H new ATOM 0 HB THR A 48 8.028 -0.797 0.938 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.615 0.147 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.921 -2.400 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.693 -2.558 2.509 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.831 -1.725 3.825 1.00 0.00 H new ATOM 716 N LYS A 49 9.450 1.299 0.294 1.00 0.00 N ATOM 717 CA LYS A 49 9.561 2.461 -0.579 1.00 0.00 C ATOM 718 C LYS A 49 8.278 2.663 -1.381 1.00 0.00 C ATOM 719 O LYS A 49 8.167 2.204 -2.517 1.00 0.00 O ATOM 720 CB LYS A 49 10.749 2.300 -1.530 1.00 0.00 C ATOM 721 CG LYS A 49 11.082 3.562 -2.307 1.00 0.00 C ATOM 722 CD LYS A 49 11.818 4.572 -1.442 1.00 0.00 C ATOM 723 CE LYS A 49 13.271 4.172 -1.233 1.00 0.00 C ATOM 724 NZ LYS A 49 14.002 5.157 -0.390 1.00 0.00 N ATOM 0 H LYS A 49 9.404 0.406 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 49 9.721 3.339 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.624 1.995 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.534 1.496 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.695 3.307 -3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.164 4.009 -2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.774 5.555 -1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.320 4.657 -0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.313 3.190 -0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.766 4.084 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.988 4.848 -0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.984 6.089 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.545 5.223 0.542 1.00 0.00 H new ATOM 738 N ILE A 50 7.314 3.354 -0.782 1.00 0.00 N ATOM 739 CA ILE A 50 6.041 3.618 -1.440 1.00 0.00 C ATOM 740 C ILE A 50 6.173 4.748 -2.456 1.00 0.00 C ATOM 741 O ILE A 50 6.701 5.816 -2.145 1.00 0.00 O ATOM 742 CB ILE A 50 4.945 3.982 -0.423 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.786 2.864 0.610 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.626 4.242 -1.135 1.00 0.00 C ATOM 745 CD1 ILE A 50 4.009 3.283 1.839 1.00 0.00 C ATOM 0 H ILE A 50 7.391 3.741 0.159 1.00 0.00 H new ATOM 0 HA ILE A 50 5.755 2.700 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 50 5.241 4.893 0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.283 2.018 0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.774 2.519 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.861 4.498 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.748 5.068 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.323 3.347 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.935 2.441 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.523 4.110 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.008 3.601 1.546 1.00 0.00 H new ATOM 757 N GLN A 51 5.687 4.506 -3.669 1.00 0.00 N ATOM 758 CA GLN A 51 5.749 5.504 -4.729 1.00 0.00 C ATOM 759 C GLN A 51 4.372 5.732 -5.345 1.00 0.00 C ATOM 760 O GLN A 51 3.847 4.869 -6.050 1.00 0.00 O ATOM 761 CB GLN A 51 6.739 5.069 -5.811 1.00 0.00 C ATOM 762 CG GLN A 51 7.398 6.231 -6.537 1.00 0.00 C ATOM 763 CD GLN A 51 8.123 5.798 -7.795 1.00 0.00 C ATOM 764 OE1 GLN A 51 7.515 5.264 -8.723 1.00 0.00 O ATOM 765 NE2 GLN A 51 9.430 6.027 -7.834 1.00 0.00 N ATOM 0 H GLN A 51 5.246 3.628 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 51 6.090 6.442 -4.290 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.513 4.450 -5.356 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.219 4.446 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.639 6.970 -6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.104 6.720 -5.866 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.894 6.472 -7.042 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.971 5.758 -8.656 1.00 0.00 H new ATOM 774 N ILE A 52 3.793 6.896 -5.074 1.00 0.00 N ATOM 775 CA ILE A 52 2.478 7.236 -5.601 1.00 0.00 C ATOM 776 C ILE A 52 2.593 8.096 -6.855 1.00 0.00 C ATOM 777 O ILE A 52 3.363 9.056 -6.912 1.00 0.00 O ATOM 778 CB ILE A 52 1.628 7.984 -4.557 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.436 7.119 -3.309 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.282 8.374 -5.149 1.00 0.00 C ATOM 781 CD1 ILE A 52 0.869 7.877 -2.130 1.00 0.00 C ATOM 0 H ILE A 52 4.214 7.620 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 52 1.987 6.296 -5.851 1.00 0.00 H new ATOM 0 HB ILE A 52 2.153 8.895 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.772 6.289 -3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.396 6.687 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.306 8.902 -4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.438 9.023 -6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.251 7.477 -5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.760 7.201 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.543 8.690 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.106 8.287 -2.395 1.00 0.00 H new ATOM 793 N PRO A 53 1.811 7.747 -7.887 1.00 0.00 N ATOM 794 CA PRO A 53 1.806 8.475 -9.159 1.00 0.00 C ATOM 795 C PRO A 53 1.185 9.863 -9.031 1.00 0.00 C ATOM 796 O PRO A 53 0.337 10.096 -8.168 1.00 0.00 O ATOM 797 CB PRO A 53 0.953 7.590 -10.071 1.00 0.00 C ATOM 798 CG PRO A 53 0.067 6.832 -9.144 1.00 0.00 C ATOM 799 CD PRO A 53 0.870 6.615 -7.891 1.00 0.00 C ATOM 0 HA PRO A 53 2.815 8.649 -9.533 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.372 8.189 -10.773 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.574 6.918 -10.663 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.845 7.390 -8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.236 5.882 -9.583 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.237 6.616 -7.003 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.392 5.659 -7.909 1.00 0.00 H new ATOM 807 N ARG A 54 1.612 10.779 -9.892 1.00 0.00 N ATOM 808 CA ARG A 54 1.098 12.143 -9.875 1.00 0.00 C ATOM 809 C ARG A 54 -0.407 12.161 -10.129 1.00 0.00 C ATOM 810 O ARG A 54 -0.972 11.237 -10.715 1.00 0.00 O ATOM 811 CB ARG A 54 1.814 12.995 -10.924 1.00 0.00 C ATOM 812 CG ARG A 54 3.212 13.424 -10.510 1.00 0.00 C ATOM 813 CD ARG A 54 4.225 12.311 -10.732 1.00 0.00 C ATOM 814 NE ARG A 54 5.565 12.696 -10.296 1.00 0.00 N ATOM 815 CZ ARG A 54 6.678 12.147 -10.772 1.00 0.00 C ATOM 816 NH1 ARG A 54 6.611 11.195 -11.692 1.00 0.00 N ATOM 817 NH2 ARG A 54 7.861 12.552 -10.327 1.00 0.00 N ATOM 0 H ARG A 54 2.313 10.602 -10.611 1.00 0.00 H new ATOM 0 HA ARG A 54 1.287 12.563 -8.887 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.877 12.432 -11.855 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.216 13.883 -11.128 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.507 14.305 -11.080 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.209 13.711 -9.458 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.909 11.420 -10.190 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.249 12.048 -11.790 1.00 0.00 H new ATOM 0 HE ARG A 54 5.651 13.425 -9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.704 10.882 -12.037 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.467 10.776 -12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.916 13.285 -9.620 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.715 12.131 -10.692 1.00 0.00 H new ATOM 831 N PRO A 55 -1.070 13.236 -9.681 1.00 0.00 N ATOM 832 CA PRO A 55 -2.517 13.400 -9.848 1.00 0.00 C ATOM 833 C PRO A 55 -2.908 13.644 -11.302 1.00 0.00 C ATOM 834 O PRO A 55 -4.090 13.760 -11.626 1.00 0.00 O ATOM 835 CB PRO A 55 -2.836 14.631 -8.995 1.00 0.00 C ATOM 836 CG PRO A 55 -1.561 15.399 -8.947 1.00 0.00 C ATOM 837 CD PRO A 55 -0.459 14.375 -8.975 1.00 0.00 C ATOM 0 HA PRO A 55 -3.065 12.506 -9.552 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.638 15.222 -9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.164 14.346 -7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.483 16.079 -9.795 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.506 16.007 -8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.422 14.747 -9.499 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.140 14.100 -7.970 1.00 0.00 H new ATOM 845 N ASP A 56 -1.908 13.721 -12.174 1.00 0.00 N ATOM 846 CA ASP A 56 -2.148 13.949 -13.594 1.00 0.00 C ATOM 847 C ASP A 56 -1.691 12.752 -14.421 1.00 0.00 C ATOM 848 O ASP A 56 -1.911 12.702 -15.632 1.00 0.00 O ATOM 849 CB ASP A 56 -1.422 15.213 -14.058 1.00 0.00 C ATOM 850 CG ASP A 56 -1.193 15.231 -15.557 1.00 0.00 C ATOM 851 OD1 ASP A 56 -2.176 15.406 -16.306 1.00 0.00 O ATOM 852 OD2 ASP A 56 -0.029 15.068 -15.981 1.00 0.00 O ATOM 0 H ASP A 56 -0.924 13.629 -11.922 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.220 14.080 -13.740 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.004 16.089 -13.772 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.463 15.286 -13.546 1.00 0.00 H new ATOM 857 N ASP A 57 -1.054 11.791 -13.761 1.00 0.00 N ATOM 858 CA ASP A 57 -0.566 10.594 -14.435 1.00 0.00 C ATOM 859 C ASP A 57 -1.652 9.524 -14.498 1.00 0.00 C ATOM 860 O ASP A 57 -2.421 9.330 -13.556 1.00 0.00 O ATOM 861 CB ASP A 57 0.667 10.045 -13.718 1.00 0.00 C ATOM 862 CG ASP A 57 1.620 9.338 -14.662 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.330 10.032 -15.417 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.653 8.089 -14.646 1.00 0.00 O ATOM 0 H ASP A 57 -0.864 11.818 -12.759 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.292 10.868 -15.454 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.191 10.863 -13.224 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.351 9.352 -12.938 1.00 0.00 H new ATOM 869 N PRO A 58 -1.719 8.813 -15.633 1.00 0.00 N ATOM 870 CA PRO A 58 -2.707 7.750 -15.844 1.00 0.00 C ATOM 871 C PRO A 58 -2.437 6.526 -14.977 1.00 0.00 C ATOM 872 O PRO A 58 -3.143 5.521 -15.069 1.00 0.00 O ATOM 873 CB PRO A 58 -2.543 7.404 -17.326 1.00 0.00 C ATOM 874 CG PRO A 58 -1.143 7.793 -17.653 1.00 0.00 C ATOM 875 CD PRO A 58 -0.834 8.990 -16.796 1.00 0.00 C ATOM 0 HA PRO A 58 -3.714 8.070 -15.576 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.711 6.342 -17.506 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.259 7.949 -17.941 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.452 6.976 -17.445 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.042 8.034 -18.711 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.215 9.014 -16.503 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.040 9.923 -17.320 1.00 0.00 H new ATOM 883 N SER A 59 -1.413 6.617 -14.135 1.00 0.00 N ATOM 884 CA SER A 59 -1.047 5.514 -13.253 1.00 0.00 C ATOM 885 C SER A 59 -1.741 5.649 -11.901 1.00 0.00 C ATOM 886 O SER A 59 -1.557 6.637 -11.193 1.00 0.00 O ATOM 887 CB SER A 59 0.469 5.469 -13.061 1.00 0.00 C ATOM 888 OG SER A 59 1.119 5.007 -14.232 1.00 0.00 O ATOM 0 H SER A 59 -0.822 7.443 -14.045 1.00 0.00 H new ATOM 0 HA SER A 59 -1.373 4.584 -13.718 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.836 6.463 -12.806 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.713 4.815 -12.224 1.00 0.00 H new ATOM 0 HG SER A 59 1.496 5.769 -14.719 1.00 0.00 H new ATOM 894 N ASN A 60 -2.538 4.645 -11.550 1.00 0.00 N ATOM 895 CA ASN A 60 -3.260 4.649 -10.283 1.00 0.00 C ATOM 896 C ASN A 60 -2.816 3.487 -9.400 1.00 0.00 C ATOM 897 O ASN A 60 -3.382 3.256 -8.332 1.00 0.00 O ATOM 898 CB ASN A 60 -4.768 4.570 -10.530 1.00 0.00 C ATOM 899 CG ASN A 60 -5.188 3.235 -11.114 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.652 2.793 -12.130 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.153 2.587 -10.472 1.00 0.00 N ATOM 0 H ASN A 60 -2.700 3.818 -12.125 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.032 5.582 -9.767 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.297 4.735 -9.591 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.065 5.370 -11.208 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.479 1.684 -10.818 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.569 2.992 -9.633 1.00 0.00 H new ATOM 908 N GLN A 61 -1.800 2.759 -9.854 1.00 0.00 N ATOM 909 CA GLN A 61 -1.282 1.622 -9.106 1.00 0.00 C ATOM 910 C GLN A 61 -0.038 2.011 -8.315 1.00 0.00 C ATOM 911 O GLN A 61 0.971 2.421 -8.890 1.00 0.00 O ATOM 912 CB GLN A 61 -0.957 0.465 -10.054 1.00 0.00 C ATOM 913 CG GLN A 61 0.093 0.811 -11.097 1.00 0.00 C ATOM 914 CD GLN A 61 -0.076 0.022 -12.380 1.00 0.00 C ATOM 915 OE1 GLN A 61 -0.267 0.593 -13.453 1.00 0.00 O ATOM 916 NE2 GLN A 61 -0.007 -1.300 -12.274 1.00 0.00 N ATOM 0 H GLN A 61 -1.320 2.938 -10.736 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.051 1.302 -8.403 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.610 -0.387 -9.469 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.871 0.153 -10.560 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.040 1.876 -11.321 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.084 0.621 -10.686 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.153 -1.731 -11.363 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.114 -1.884 -13.103 1.00 0.00 H new ATOM 925 N ILE A 62 -0.116 1.881 -6.995 1.00 0.00 N ATOM 926 CA ILE A 62 1.005 2.219 -6.126 1.00 0.00 C ATOM 927 C ILE A 62 2.073 1.132 -6.157 1.00 0.00 C ATOM 928 O ILE A 62 1.775 -0.040 -6.395 1.00 0.00 O ATOM 929 CB ILE A 62 0.546 2.431 -4.671 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.170 3.775 -4.530 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.735 2.355 -3.726 1.00 0.00 C ATOM 932 CD1 ILE A 62 -1.024 3.877 -3.285 1.00 0.00 C ATOM 0 H ILE A 62 -0.944 1.544 -6.504 1.00 0.00 H new ATOM 0 HA ILE A 62 1.427 3.150 -6.505 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.155 1.639 -4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.572 4.573 -4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.798 3.937 -5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.396 2.507 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.205 1.375 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.457 3.128 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.501 4.856 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.789 3.101 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.398 3.748 -2.402 1.00 0.00 H new ATOM 944 N LYS A 63 3.319 1.525 -5.915 1.00 0.00 N ATOM 945 CA LYS A 63 4.433 0.584 -5.912 1.00 0.00 C ATOM 946 C LYS A 63 5.043 0.469 -4.519 1.00 0.00 C ATOM 947 O LYS A 63 5.365 1.476 -3.888 1.00 0.00 O ATOM 948 CB LYS A 63 5.501 1.024 -6.915 1.00 0.00 C ATOM 949 CG LYS A 63 6.481 -0.077 -7.283 1.00 0.00 C ATOM 950 CD LYS A 63 7.593 0.443 -8.179 1.00 0.00 C ATOM 951 CE LYS A 63 8.691 1.116 -7.370 1.00 0.00 C ATOM 952 NZ LYS A 63 9.617 1.898 -8.235 1.00 0.00 N ATOM 0 H LYS A 63 3.583 2.490 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 63 4.052 -0.395 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.011 1.381 -7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.053 1.866 -6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.912 -0.500 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.951 -0.883 -7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.016 -0.382 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.182 1.152 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.242 1.776 -6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.255 0.360 -6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.351 2.341 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.065 1.264 -8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.083 2.636 -8.737 1.00 0.00 H new ATOM 966 N ILE A 64 5.202 -0.762 -4.048 1.00 0.00 N ATOM 967 CA ILE A 64 5.778 -1.008 -2.731 1.00 0.00 C ATOM 968 C ILE A 64 7.000 -1.915 -2.826 1.00 0.00 C ATOM 969 O ILE A 64 6.900 -3.071 -3.239 1.00 0.00 O ATOM 970 CB ILE A 64 4.751 -1.648 -1.779 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.723 -2.458 -2.572 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.061 -0.577 -0.947 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.773 -3.249 -1.699 1.00 0.00 C ATOM 0 H ILE A 64 4.940 -1.606 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 64 6.078 -0.039 -2.332 1.00 0.00 H new ATOM 0 HB ILE A 64 5.276 -2.324 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.146 -1.781 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.248 -3.143 -3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.338 -1.045 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.804 -0.039 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.546 0.121 -1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.073 -3.798 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.340 -3.951 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.221 -2.568 -1.051 1.00 0.00 H new ATOM 985 N THR A 65 8.156 -1.384 -2.439 1.00 0.00 N ATOM 986 CA THR A 65 9.398 -2.144 -2.479 1.00 0.00 C ATOM 987 C THR A 65 9.990 -2.304 -1.083 1.00 0.00 C ATOM 988 O THR A 65 9.982 -1.368 -0.285 1.00 0.00 O ATOM 989 CB THR A 65 10.440 -1.472 -3.393 1.00 0.00 C ATOM 990 OG1 THR A 65 9.897 -1.294 -4.706 1.00 0.00 O ATOM 991 CG2 THR A 65 11.709 -2.306 -3.472 1.00 0.00 C ATOM 0 H THR A 65 8.257 -0.429 -2.094 1.00 0.00 H new ATOM 0 HA THR A 65 9.154 -3.127 -2.882 1.00 0.00 H new ATOM 0 HB THR A 65 10.690 -0.500 -2.969 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.565 -0.865 -5.281 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.430 -1.811 -4.123 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.136 -2.415 -2.475 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.473 -3.291 -3.875 1.00 0.00 H new ATOM 999 N GLY A 66 10.506 -3.495 -0.796 1.00 0.00 N ATOM 1000 CA GLY A 66 11.096 -3.755 0.504 1.00 0.00 C ATOM 1001 C GLY A 66 11.184 -5.235 0.816 1.00 0.00 C ATOM 1002 O GLY A 66 11.214 -6.069 -0.091 1.00 0.00 O ATOM 0 H GLY A 66 10.526 -4.285 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.095 -3.319 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.504 -3.259 1.274 1.00 0.00 H new ATOM 1006 N THR A 67 11.230 -5.566 2.102 1.00 0.00 N ATOM 1007 CA THR A 67 11.318 -6.956 2.532 1.00 0.00 C ATOM 1008 C THR A 67 9.968 -7.655 2.412 1.00 0.00 C ATOM 1009 O THR A 67 8.927 -7.077 2.723 1.00 0.00 O ATOM 1010 CB THR A 67 11.812 -7.064 3.987 1.00 0.00 C ATOM 1011 OG1 THR A 67 11.013 -6.234 4.838 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.273 -6.652 4.095 1.00 0.00 C ATOM 0 H THR A 67 11.208 -4.890 2.865 1.00 0.00 H new ATOM 0 HA THR A 67 12.037 -7.445 1.875 1.00 0.00 H new ATOM 0 HB THR A 67 11.720 -8.103 4.303 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.332 -6.309 5.762 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.599 -6.737 5.132 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.882 -7.304 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.386 -5.620 3.762 1.00 0.00 H new ATOM 1020 N LYS A 68 9.994 -8.904 1.959 1.00 0.00 N ATOM 1021 CA LYS A 68 8.773 -9.685 1.799 1.00 0.00 C ATOM 1022 C LYS A 68 7.779 -9.375 2.914 1.00 0.00 C ATOM 1023 O LYS A 68 6.566 -9.444 2.713 1.00 0.00 O ATOM 1024 CB LYS A 68 9.096 -11.181 1.792 1.00 0.00 C ATOM 1025 CG LYS A 68 8.001 -12.037 1.178 1.00 0.00 C ATOM 1026 CD LYS A 68 6.957 -12.431 2.209 1.00 0.00 C ATOM 1027 CE LYS A 68 6.314 -13.766 1.869 1.00 0.00 C ATOM 1028 NZ LYS A 68 5.150 -14.061 2.750 1.00 0.00 N ATOM 0 H LYS A 68 10.847 -9.397 1.696 1.00 0.00 H new ATOM 0 HA LYS A 68 8.320 -9.413 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.023 -11.341 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.272 -11.511 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.523 -11.490 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.441 -12.934 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.421 -12.490 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.189 -11.660 2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.989 -13.758 0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.054 -14.561 1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.834 -15.039 2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.429 -13.944 3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.373 -13.406 2.529 1.00 0.00 H new ATOM 1042 N GLU A 69 8.300 -9.033 4.088 1.00 0.00 N ATOM 1043 CA GLU A 69 7.458 -8.712 5.233 1.00 0.00 C ATOM 1044 C GLU A 69 6.997 -7.257 5.180 1.00 0.00 C ATOM 1045 O GLU A 69 5.820 -6.959 5.379 1.00 0.00 O ATOM 1046 CB GLU A 69 8.212 -8.971 6.539 1.00 0.00 C ATOM 1047 CG GLU A 69 8.641 -10.419 6.717 1.00 0.00 C ATOM 1048 CD GLU A 69 7.481 -11.331 7.067 1.00 0.00 C ATOM 1049 OE1 GLU A 69 6.324 -10.954 6.790 1.00 0.00 O ATOM 1050 OE2 GLU A 69 7.733 -12.422 7.620 1.00 0.00 O ATOM 0 H GLU A 69 9.302 -8.971 4.271 1.00 0.00 H new ATOM 0 HA GLU A 69 6.579 -9.356 5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.095 -8.333 6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.579 -8.683 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.111 -10.771 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.394 -10.477 7.503 1.00 0.00 H new ATOM 1057 N GLY A 70 7.936 -6.356 4.910 1.00 0.00 N ATOM 1058 CA GLY A 70 7.609 -4.943 4.836 1.00 0.00 C ATOM 1059 C GLY A 70 6.528 -4.652 3.813 1.00 0.00 C ATOM 1060 O GLY A 70 5.462 -4.142 4.157 1.00 0.00 O ATOM 0 H GLY A 70 8.917 -6.578 4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.280 -4.597 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.506 -4.378 4.583 1.00 0.00 H new ATOM 1064 N ILE A 71 6.805 -4.974 2.554 1.00 0.00 N ATOM 1065 CA ILE A 71 5.849 -4.742 1.479 1.00 0.00 C ATOM 1066 C ILE A 71 4.471 -5.286 1.843 1.00 0.00 C ATOM 1067 O ILE A 71 3.454 -4.639 1.599 1.00 0.00 O ATOM 1068 CB ILE A 71 6.313 -5.393 0.163 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.695 -4.866 -0.231 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.304 -5.127 -0.944 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.317 -5.611 -1.392 1.00 0.00 C ATOM 0 H ILE A 71 7.684 -5.396 2.254 1.00 0.00 H new ATOM 0 HA ILE A 71 5.787 -3.663 1.339 1.00 0.00 H new ATOM 0 HB ILE A 71 6.384 -6.470 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.612 -3.810 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.359 -4.932 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.646 -5.593 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.337 -5.544 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.205 -4.052 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.294 -5.184 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.432 -6.663 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.673 -5.524 -2.267 1.00 0.00 H new ATOM 1083 N GLU A 72 4.447 -6.479 2.429 1.00 0.00 N ATOM 1084 CA GLU A 72 3.194 -7.108 2.828 1.00 0.00 C ATOM 1085 C GLU A 72 2.393 -6.193 3.748 1.00 0.00 C ATOM 1086 O GLU A 72 1.217 -5.922 3.504 1.00 0.00 O ATOM 1087 CB GLU A 72 3.467 -8.441 3.529 1.00 0.00 C ATOM 1088 CG GLU A 72 3.584 -9.618 2.574 1.00 0.00 C ATOM 1089 CD GLU A 72 3.743 -10.942 3.298 1.00 0.00 C ATOM 1090 OE1 GLU A 72 4.704 -11.077 4.085 1.00 0.00 O ATOM 1091 OE2 GLU A 72 2.906 -11.842 3.077 1.00 0.00 O ATOM 0 H GLU A 72 5.280 -7.029 2.638 1.00 0.00 H new ATOM 0 HA GLU A 72 2.608 -7.292 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.389 -8.357 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.665 -8.639 4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.697 -9.658 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.438 -9.463 1.915 1.00 0.00 H new ATOM 1098 N LYS A 73 3.038 -5.718 4.809 1.00 0.00 N ATOM 1099 CA LYS A 73 2.388 -4.832 5.766 1.00 0.00 C ATOM 1100 C LYS A 73 1.715 -3.662 5.056 1.00 0.00 C ATOM 1101 O LYS A 73 0.521 -3.423 5.227 1.00 0.00 O ATOM 1102 CB LYS A 73 3.408 -4.308 6.780 1.00 0.00 C ATOM 1103 CG LYS A 73 3.691 -5.278 7.915 1.00 0.00 C ATOM 1104 CD LYS A 73 5.066 -5.046 8.517 1.00 0.00 C ATOM 1105 CE LYS A 73 5.297 -5.924 9.736 1.00 0.00 C ATOM 1106 NZ LYS A 73 5.274 -7.373 9.389 1.00 0.00 N ATOM 0 H LYS A 73 4.011 -5.933 5.027 1.00 0.00 H new ATOM 0 HA LYS A 73 1.623 -5.404 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.341 -4.085 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.043 -3.370 7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.931 -5.166 8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.622 -6.301 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.831 -5.252 7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.169 -3.998 8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.257 -5.674 10.187 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.531 -5.717 10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.552 -7.933 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.314 -7.644 9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.940 -7.554 8.611 1.00 0.00 H new ATOM 1120 N ALA A 74 2.491 -2.936 4.257 1.00 0.00 N ATOM 1121 CA ALA A 74 1.969 -1.794 3.517 1.00 0.00 C ATOM 1122 C ALA A 74 0.893 -2.225 2.527 1.00 0.00 C ATOM 1123 O ALA A 74 -0.088 -1.512 2.311 1.00 0.00 O ATOM 1124 CB ALA A 74 3.096 -1.073 2.792 1.00 0.00 C ATOM 0 H ALA A 74 3.483 -3.119 4.106 1.00 0.00 H new ATOM 0 HA ALA A 74 1.514 -1.108 4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.691 -0.223 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.829 -0.721 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.577 -1.758 2.094 1.00 0.00 H new ATOM 1130 N ARG A 75 1.081 -3.397 1.928 1.00 0.00 N ATOM 1131 CA ARG A 75 0.127 -3.923 0.960 1.00 0.00 C ATOM 1132 C ARG A 75 -1.195 -4.277 1.636 1.00 0.00 C ATOM 1133 O ARG A 75 -2.264 -4.152 1.037 1.00 0.00 O ATOM 1134 CB ARG A 75 0.703 -5.157 0.264 1.00 0.00 C ATOM 1135 CG ARG A 75 0.199 -5.344 -1.158 1.00 0.00 C ATOM 1136 CD ARG A 75 0.983 -6.423 -1.889 1.00 0.00 C ATOM 1137 NE ARG A 75 0.393 -7.746 -1.708 1.00 0.00 N ATOM 1138 CZ ARG A 75 -0.620 -8.206 -2.433 1.00 0.00 C ATOM 1139 NH1 ARG A 75 -1.153 -7.452 -3.385 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -1.102 -9.421 -2.208 1.00 0.00 N ATOM 0 H ARG A 75 1.886 -4.000 2.097 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.062 -3.149 0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.790 -5.081 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.454 -6.043 0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.858 -5.610 -1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.280 -4.402 -1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.021 -6.186 -2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.011 -6.432 -1.527 1.00 0.00 H new ATOM 0 HE ARG A 75 0.781 -8.351 -0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.785 -6.517 -3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.931 -7.807 -3.941 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.695 -10.004 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.880 -9.772 -2.766 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.114 -4.719 2.887 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.304 -5.091 3.645 1.00 0.00 C ATOM 1156 C HIS A 76 -3.079 -3.852 4.081 1.00 0.00 C ATOM 1157 O HIS A 76 -4.308 -3.824 4.016 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.915 -5.921 4.869 1.00 0.00 C ATOM 1159 CG HIS A 76 -3.073 -6.626 5.506 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.864 -7.534 4.833 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.570 -6.555 6.763 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.799 -7.988 5.648 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.643 -7.410 6.826 1.00 0.00 N ATOM 0 H HIS A 76 -0.238 -4.828 3.397 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.945 -5.690 2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.168 -6.658 4.575 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.447 -5.269 5.606 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.193 -5.940 7.567 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.562 -8.709 5.395 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.225 -7.572 7.648 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.354 -2.831 4.525 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.976 -1.591 4.973 1.00 0.00 C ATOM 1173 C GLU A 77 -3.620 -0.852 3.803 1.00 0.00 C ATOM 1174 O GLU A 77 -4.791 -0.475 3.862 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.940 -0.691 5.651 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.482 -1.204 7.006 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.588 -1.177 8.044 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -3.005 -0.068 8.438 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -3.036 -2.265 8.461 1.00 0.00 O ATOM 0 H GLU A 77 -1.336 -2.838 4.584 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.754 -1.844 5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.073 -0.592 4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.362 0.306 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.114 -2.224 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.646 -0.599 7.356 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.846 -0.647 2.742 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.340 0.047 1.559 1.00 0.00 C ATOM 1188 C VAL A 78 -4.580 -0.640 0.998 1.00 0.00 C ATOM 1189 O VAL A 78 -5.481 0.015 0.471 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.264 0.116 0.459 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -2.142 -1.222 -0.255 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.582 1.229 -0.528 1.00 0.00 C ATOM 0 H VAL A 78 -1.875 -0.952 2.678 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.597 1.060 1.870 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.305 0.339 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.377 -1.153 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.864 -1.994 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.098 -1.479 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.812 1.263 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.550 1.039 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.613 2.184 -0.003 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.621 -1.962 1.113 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.752 -2.739 0.617 1.00 0.00 C ATOM 1204 C LEU A 79 -6.942 -2.637 1.567 1.00 0.00 C ATOM 1205 O LEU A 79 -8.086 -2.497 1.135 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.352 -4.205 0.441 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.619 -4.549 -0.857 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.932 -5.901 -0.739 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.583 -4.538 -2.033 1.00 0.00 C ATOM 0 H LEU A 79 -3.884 -2.519 1.545 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.045 -2.329 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.718 -4.491 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.253 -4.816 0.499 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.856 -3.791 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.416 -6.129 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.211 -5.873 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.677 -6.671 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.044 -4.785 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.370 -5.274 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.027 -3.547 -2.130 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.663 -2.703 2.865 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.709 -2.616 3.877 1.00 0.00 C ATOM 1223 C LEU A 80 -8.451 -1.286 3.780 1.00 0.00 C ATOM 1224 O LEU A 80 -9.679 -1.241 3.861 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.109 -2.777 5.275 1.00 0.00 C ATOM 1226 CG LEU A 80 -7.014 -4.208 5.804 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.272 -4.239 7.131 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.401 -4.815 5.951 1.00 0.00 C ATOM 0 H LEU A 80 -5.721 -2.816 3.240 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.420 -3.422 3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.108 -2.345 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.706 -2.191 5.974 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.453 -4.804 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.214 -5.266 7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.265 -3.846 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.804 -3.628 7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.314 -5.834 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.987 -4.218 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.897 -4.829 4.980 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.698 -0.206 3.604 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.283 1.124 3.492 1.00 0.00 C ATOM 1242 C ILE A 81 -9.115 1.253 2.221 1.00 0.00 C ATOM 1243 O ILE A 81 -10.293 1.607 2.270 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.201 2.218 3.496 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.293 2.064 4.718 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.842 3.599 3.479 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.937 2.713 4.550 1.00 0.00 C ATOM 0 H ILE A 81 -6.680 -0.226 3.536 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.927 1.259 4.361 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.593 2.109 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.789 2.498 5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.155 1.003 4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.063 4.362 3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.451 3.706 2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.471 3.719 4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.348 2.564 5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.421 2.263 3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.064 3.781 4.372 1.00 0.00 H new ATOM 1259 N SER A 82 -8.495 0.962 1.081 1.00 0.00 N ATOM 1260 CA SER A 82 -9.177 1.046 -0.204 1.00 0.00 C ATOM 1261 C SER A 82 -10.463 0.225 -0.193 1.00 0.00 C ATOM 1262 O SER A 82 -11.518 0.698 -0.613 1.00 0.00 O ATOM 1263 CB SER A 82 -8.258 0.560 -1.327 1.00 0.00 C ATOM 1264 OG SER A 82 -9.008 0.111 -2.441 1.00 0.00 O ATOM 0 H SER A 82 -7.521 0.666 1.022 1.00 0.00 H new ATOM 0 HA SER A 82 -9.435 2.090 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.594 1.368 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.626 -0.249 -0.960 1.00 0.00 H new ATOM 0 HG SER A 82 -9.461 0.873 -2.859 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.365 -1.008 0.293 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.519 -1.896 0.362 1.00 0.00 C ATOM 1272 C ALA A 83 -12.661 -1.252 1.139 1.00 0.00 C ATOM 1273 O ALA A 83 -13.810 -1.268 0.699 1.00 0.00 O ATOM 1274 CB ALA A 83 -11.127 -3.223 0.997 1.00 0.00 C ATOM 0 H ALA A 83 -9.498 -1.415 0.645 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.866 -2.081 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.998 -3.876 1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.349 -3.697 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.753 -3.047 2.006 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.337 -0.686 2.297 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.339 -0.038 3.136 1.00 0.00 C ATOM 1282 C GLU A 84 -14.140 0.984 2.336 1.00 0.00 C ATOM 1283 O GLU A 84 -15.358 1.084 2.480 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.670 0.644 4.332 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.500 -0.266 5.536 1.00 0.00 C ATOM 1286 CD GLU A 84 -13.813 -0.560 6.234 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.500 -1.522 5.828 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -14.155 0.170 7.187 1.00 0.00 O ATOM 0 H GLU A 84 -11.390 -0.663 2.675 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.023 -0.805 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.692 1.015 4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.263 1.511 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.044 -1.203 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.813 0.198 6.243 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.446 1.742 1.492 1.00 0.00 N ATOM 1296 CA GLN A 85 -14.093 2.757 0.669 1.00 0.00 C ATOM 1297 C GLN A 85 -15.019 2.116 -0.359 1.00 0.00 C ATOM 1298 O GLN A 85 -16.136 2.586 -0.582 1.00 0.00 O ATOM 1299 CB GLN A 85 -13.043 3.616 -0.038 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.964 4.147 0.893 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.528 5.006 2.008 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.658 5.485 1.928 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.739 5.206 3.058 1.00 0.00 N ATOM 0 H GLN A 85 -12.437 1.672 1.361 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.691 3.392 1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.574 3.026 -0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.540 4.457 -0.522 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.418 3.309 1.326 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.247 4.731 0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.808 4.790 3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.064 5.776 3.839 1.00 0.00 H new