USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=13 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 59 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 46 THR OG1 : rot -66:sc= 2.28 USER MOD Set 2.2: A 48 THR OG1 : rot -80:sc= 1.13 USER MOD Set 3.1: A 25 LYS NZ :NH3+ -173:sc= -0.129 (180deg=-0.395) USER MOD Set 3.2: A 28 HIS : no HD1:sc= -1.11 K(o=-1.2,f=-7.9!) USER MOD Single : A 18 SER OG : rot 31:sc= 0.018 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -13.1! C(o=-13!,f=-19!) 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+ -148:sc= 0 (180deg=-0.508) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -116:sc= -1.29 (180deg=-3.41!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 60 ASN : amide:sc= 1.19 K(o=1.2,f=-2.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0797 USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= -0.0106 (180deg=-0.149) USER MOD Single : A 73 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.574) USER MOD Single : A 76 HIS : no HD1:sc= -0.225 K(o=-0.22,f=-0.75) USER MOD Single : A 82 SER OG : rot -6:sc= 0.146 USER MOD Single : A 85 GLN : amide:sc= -0.682 K(o=-0.68,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.420 -7.402 -3.605 1.00 0.00 N ATOM 215 CA ALA A 17 11.242 -7.548 -4.451 1.00 0.00 C ATOM 216 C ALA A 17 10.409 -6.270 -4.459 1.00 0.00 C ATOM 217 O ALA A 17 10.593 -5.393 -3.615 1.00 0.00 O ATOM 218 CB ALA A 17 10.399 -8.726 -3.984 1.00 0.00 C ATOM 0 HA ALA A 17 11.579 -7.737 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.523 -8.823 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.990 -9.640 -4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.079 -8.560 -2.955 1.00 0.00 H new ATOM 224 N SER A 18 9.495 -6.171 -5.419 1.00 0.00 N ATOM 225 CA SER A 18 8.638 -4.998 -5.540 1.00 0.00 C ATOM 226 C SER A 18 7.279 -5.376 -6.119 1.00 0.00 C ATOM 227 O SER A 18 7.193 -6.081 -7.125 1.00 0.00 O ATOM 228 CB SER A 18 9.305 -3.941 -6.422 1.00 0.00 C ATOM 229 OG SER A 18 9.797 -4.515 -7.621 1.00 0.00 O ATOM 0 H SER A 18 9.329 -6.889 -6.124 1.00 0.00 H new ATOM 0 HA SER A 18 8.487 -4.585 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.588 -3.155 -6.659 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.124 -3.472 -5.877 1.00 0.00 H new ATOM 0 HG SER A 18 9.227 -5.269 -7.881 1.00 0.00 H new ATOM 235 N ALA A 19 6.216 -4.902 -5.476 1.00 0.00 N ATOM 236 CA ALA A 19 4.860 -5.188 -5.928 1.00 0.00 C ATOM 237 C ALA A 19 4.060 -3.903 -6.113 1.00 0.00 C ATOM 238 O ALA A 19 4.543 -2.810 -5.814 1.00 0.00 O ATOM 239 CB ALA A 19 4.159 -6.111 -4.941 1.00 0.00 C ATOM 0 H ALA A 19 6.268 -4.319 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 19 4.923 -5.688 -6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.147 -6.317 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.713 -7.047 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.115 -5.632 -3.963 1.00 0.00 H new ATOM 245 N THR A 20 2.834 -4.040 -6.608 1.00 0.00 N ATOM 246 CA THR A 20 1.968 -2.890 -6.834 1.00 0.00 C ATOM 247 C THR A 20 0.531 -3.194 -6.426 1.00 0.00 C ATOM 248 O THR A 20 0.092 -4.343 -6.473 1.00 0.00 O ATOM 249 CB THR A 20 1.988 -2.454 -8.312 1.00 0.00 C ATOM 250 OG1 THR A 20 1.983 -3.606 -9.162 1.00 0.00 O ATOM 251 CG2 THR A 20 3.214 -1.603 -8.608 1.00 0.00 C ATOM 0 H THR A 20 2.418 -4.937 -6.860 1.00 0.00 H new ATOM 0 HA THR A 20 2.354 -2.078 -6.217 1.00 0.00 H new ATOM 0 HB THR A 20 1.096 -1.857 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.994 -3.321 -10.100 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.207 -1.307 -9.657 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.199 -0.713 -7.980 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.116 -2.179 -8.400 1.00 0.00 H new ATOM 259 N VAL A 21 -0.197 -2.157 -6.025 1.00 0.00 N ATOM 260 CA VAL A 21 -1.587 -2.314 -5.610 1.00 0.00 C ATOM 261 C VAL A 21 -2.500 -1.369 -6.382 1.00 0.00 C ATOM 262 O VAL A 21 -2.568 -0.176 -6.088 1.00 0.00 O ATOM 263 CB VAL A 21 -1.753 -2.053 -4.101 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.176 -0.697 -3.726 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.219 -2.147 -3.703 1.00 0.00 C ATOM 0 H VAL A 21 0.152 -1.200 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.869 -3.344 -5.827 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.202 -2.818 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.303 -0.531 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.115 -0.672 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.696 0.085 -4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.318 -1.960 -2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.795 -1.405 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.595 -3.144 -3.934 1.00 0.00 H new ATOM 275 N ALA A 22 -3.204 -1.911 -7.371 1.00 0.00 N ATOM 276 CA ALA A 22 -4.116 -1.117 -8.184 1.00 0.00 C ATOM 277 C ALA A 22 -5.224 -0.509 -7.331 1.00 0.00 C ATOM 278 O ALA A 22 -6.058 -1.225 -6.777 1.00 0.00 O ATOM 279 CB ALA A 22 -4.711 -1.970 -9.294 1.00 0.00 C ATOM 0 H ALA A 22 -3.160 -2.897 -7.628 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.548 -0.301 -8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.390 -1.364 -9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.911 -2.353 -9.927 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.259 -2.805 -8.857 1.00 0.00 H new ATOM 285 N ILE A 23 -5.224 0.816 -7.227 1.00 0.00 N ATOM 286 CA ILE A 23 -6.230 1.520 -6.441 1.00 0.00 C ATOM 287 C ILE A 23 -6.666 2.807 -7.133 1.00 0.00 C ATOM 288 O ILE A 23 -5.936 3.388 -7.936 1.00 0.00 O ATOM 289 CB ILE A 23 -5.707 1.860 -5.033 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.284 2.414 -5.114 1.00 0.00 C ATOM 291 CG2 ILE A 23 -5.752 0.628 -4.141 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.830 3.099 -3.843 1.00 0.00 C ATOM 0 H ILE A 23 -4.539 1.423 -7.677 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.086 0.851 -6.351 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.350 2.625 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.598 1.599 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.225 3.122 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.379 0.883 -3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.780 0.273 -4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.129 -0.156 -4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.812 3.467 -3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.494 3.935 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.857 2.388 -3.017 1.00 0.00 H new ATOM 304 N PRO A 24 -7.886 3.266 -6.814 1.00 0.00 N ATOM 305 CA PRO A 24 -8.446 4.491 -7.392 1.00 0.00 C ATOM 306 C PRO A 24 -7.737 5.745 -6.894 1.00 0.00 C ATOM 307 O PRO A 24 -7.292 5.805 -5.747 1.00 0.00 O ATOM 308 CB PRO A 24 -9.901 4.474 -6.915 1.00 0.00 C ATOM 309 CG PRO A 24 -9.881 3.662 -5.667 1.00 0.00 C ATOM 310 CD PRO A 24 -8.811 2.626 -5.864 1.00 0.00 C ATOM 0 HA PRO A 24 -8.338 4.516 -8.476 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.267 5.483 -6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.558 4.032 -7.664 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.665 4.285 -4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.849 3.194 -5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.315 2.378 -4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.219 1.698 -6.264 1.00 0.00 H new ATOM 318 N LYS A 25 -7.634 6.746 -7.762 1.00 0.00 N ATOM 319 CA LYS A 25 -6.979 8.000 -7.409 1.00 0.00 C ATOM 320 C LYS A 25 -7.639 8.634 -6.188 1.00 0.00 C ATOM 321 O LYS A 25 -7.101 9.571 -5.598 1.00 0.00 O ATOM 322 CB LYS A 25 -7.027 8.973 -8.589 1.00 0.00 C ATOM 323 CG LYS A 25 -5.856 9.940 -8.628 1.00 0.00 C ATOM 324 CD LYS A 25 -4.619 9.293 -9.230 1.00 0.00 C ATOM 325 CE LYS A 25 -3.348 9.998 -8.781 1.00 0.00 C ATOM 326 NZ LYS A 25 -3.094 9.812 -7.326 1.00 0.00 N ATOM 0 H LYS A 25 -7.996 6.713 -8.715 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.939 7.782 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.048 8.403 -9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.956 9.542 -8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.128 10.820 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.633 10.284 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.577 8.244 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.686 9.319 -10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.500 9.615 -9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.426 11.062 -9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.288 10.402 -7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.939 10.091 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.877 8.813 -7.136 1.00 0.00 H new ATOM 340 N GLU A 26 -8.805 8.116 -5.815 1.00 0.00 N ATOM 341 CA GLU A 26 -9.536 8.633 -4.664 1.00 0.00 C ATOM 342 C GLU A 26 -8.981 8.056 -3.364 1.00 0.00 C ATOM 343 O GLU A 26 -9.145 8.641 -2.293 1.00 0.00 O ATOM 344 CB GLU A 26 -11.025 8.302 -4.787 1.00 0.00 C ATOM 345 CG GLU A 26 -11.724 8.131 -3.449 1.00 0.00 C ATOM 346 CD GLU A 26 -13.213 8.406 -3.528 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.906 7.700 -4.290 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.684 9.328 -2.830 1.00 0.00 O ATOM 0 H GLU A 26 -9.263 7.340 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.413 9.716 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.520 9.096 -5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.138 7.385 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.565 7.115 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.273 8.803 -2.719 1.00 0.00 H new ATOM 355 N HIS A 27 -8.326 6.904 -3.466 1.00 0.00 N ATOM 356 CA HIS A 27 -7.747 6.247 -2.300 1.00 0.00 C ATOM 357 C HIS A 27 -6.301 6.687 -2.091 1.00 0.00 C ATOM 358 O HIS A 27 -5.815 6.740 -0.961 1.00 0.00 O ATOM 359 CB HIS A 27 -7.813 4.728 -2.459 1.00 0.00 C ATOM 360 CG HIS A 27 -9.209 4.187 -2.462 1.00 0.00 C ATOM 361 ND1 HIS A 27 -9.503 2.867 -2.735 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.394 4.794 -2.224 1.00 0.00 C ATOM 363 CE1 HIS A 27 -10.810 2.687 -2.666 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.374 3.840 -2.357 1.00 0.00 N ATOM 0 H HIS A 27 -8.183 6.406 -4.345 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.327 6.538 -1.424 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.321 4.447 -3.390 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.253 4.261 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.542 5.835 -1.976 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.329 1.755 -2.834 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.375 3.997 -2.237 1.00 0.00 H new ATOM 372 N HIS A 28 -5.618 7.001 -3.189 1.00 0.00 N ATOM 373 CA HIS A 28 -4.227 7.435 -3.125 1.00 0.00 C ATOM 374 C HIS A 28 -4.041 8.507 -2.055 1.00 0.00 C ATOM 375 O HIS A 28 -3.092 8.459 -1.273 1.00 0.00 O ATOM 376 CB HIS A 28 -3.776 7.971 -4.485 1.00 0.00 C ATOM 377 CG HIS A 28 -3.416 6.896 -5.462 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.266 6.925 -6.224 1.00 0.00 N ATOM 379 CD2 HIS A 28 -4.059 5.753 -5.799 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.220 5.849 -6.989 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.296 5.121 -6.749 1.00 0.00 N ATOM 0 H HIS A 28 -6.005 6.963 -4.132 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.614 6.573 -2.861 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.573 8.583 -4.908 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.915 8.624 -4.342 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.998 5.404 -5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.436 5.606 -7.691 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.523 4.233 -7.197 1.00 0.00 H new ATOM 389 N ARG A 29 -4.953 9.474 -2.028 1.00 0.00 N ATOM 390 CA ARG A 29 -4.888 10.559 -1.056 1.00 0.00 C ATOM 391 C ARG A 29 -5.027 10.023 0.366 1.00 0.00 C ATOM 392 O ARG A 29 -4.342 10.478 1.282 1.00 0.00 O ATOM 393 CB ARG A 29 -5.985 11.588 -1.335 1.00 0.00 C ATOM 394 CG ARG A 29 -7.381 11.099 -0.985 1.00 0.00 C ATOM 395 CD ARG A 29 -8.444 12.102 -1.408 1.00 0.00 C ATOM 396 NE ARG A 29 -8.392 12.384 -2.840 1.00 0.00 N ATOM 397 CZ ARG A 29 -7.591 13.296 -3.380 1.00 0.00 C ATOM 398 NH1 ARG A 29 -6.779 14.009 -2.612 1.00 0.00 N ATOM 399 NH2 ARG A 29 -7.601 13.494 -4.693 1.00 0.00 N ATOM 0 H ARG A 29 -5.745 9.528 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.915 11.041 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.774 12.495 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.958 11.859 -2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.566 10.143 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.449 10.926 0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.430 11.715 -1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.310 13.029 -0.851 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.004 11.852 -3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.768 13.858 -1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.165 14.708 -3.030 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.224 12.946 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.986 14.194 -5.108 1.00 0.00 H new ATOM 413 N PHE A 30 -5.918 9.053 0.543 1.00 0.00 N ATOM 414 CA PHE A 30 -6.149 8.457 1.854 1.00 0.00 C ATOM 415 C PHE A 30 -4.888 7.768 2.367 1.00 0.00 C ATOM 416 O PHE A 30 -4.657 7.690 3.573 1.00 0.00 O ATOM 417 CB PHE A 30 -7.301 7.452 1.785 1.00 0.00 C ATOM 418 CG PHE A 30 -8.653 8.078 1.971 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.027 8.603 3.197 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.553 8.140 0.918 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.271 9.179 3.371 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.798 8.716 1.085 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.158 9.234 2.314 1.00 0.00 C ATOM 0 H PHE A 30 -6.492 8.663 -0.205 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.414 9.255 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.273 6.945 0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.154 6.689 2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.338 8.562 4.027 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.278 7.733 -0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.549 9.586 4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.489 8.761 0.256 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.132 9.681 2.448 1.00 0.00 H new ATOM 433 N VAL A 31 -4.075 7.268 1.441 1.00 0.00 N ATOM 434 CA VAL A 31 -2.837 6.586 1.798 1.00 0.00 C ATOM 435 C VAL A 31 -1.744 7.585 2.159 1.00 0.00 C ATOM 436 O VAL A 31 -0.952 7.350 3.073 1.00 0.00 O ATOM 437 CB VAL A 31 -2.339 5.689 0.649 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.001 5.060 1.005 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.371 4.621 0.322 1.00 0.00 C ATOM 0 H VAL A 31 -4.252 7.323 0.438 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.057 5.964 2.665 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.198 6.307 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.665 4.430 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.266 5.845 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.112 4.454 1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.003 3.996 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.547 4.003 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.304 5.097 0.021 1.00 0.00 H new ATOM 449 N ILE A 32 -1.706 8.699 1.437 1.00 0.00 N ATOM 450 CA ILE A 32 -0.710 9.735 1.683 1.00 0.00 C ATOM 451 C ILE A 32 -0.988 10.466 2.991 1.00 0.00 C ATOM 452 O ILE A 32 -0.068 10.794 3.740 1.00 0.00 O ATOM 453 CB ILE A 32 -0.669 10.760 0.534 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.283 10.074 -0.778 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.307 11.882 0.859 1.00 0.00 C ATOM 456 CD1 ILE A 32 -0.568 10.912 -2.005 1.00 0.00 C ATOM 0 H ILE A 32 -2.353 8.908 0.677 1.00 0.00 H new ATOM 0 HA ILE A 32 0.256 9.235 1.748 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.663 11.192 0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.779 9.831 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.824 9.131 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.325 12.598 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.009 12.386 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.305 11.467 1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.269 10.363 -2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.634 11.133 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.006 11.844 -1.947 1.00 0.00 H new ATOM 468 N GLY A 33 -2.265 10.716 3.263 1.00 0.00 N ATOM 469 CA GLY A 33 -2.643 11.404 4.484 1.00 0.00 C ATOM 470 C GLY A 33 -3.236 12.774 4.218 1.00 0.00 C ATOM 471 O GLY A 33 -2.774 13.498 3.335 1.00 0.00 O ATOM 0 H GLY A 33 -3.045 10.454 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.366 10.798 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.767 11.509 5.124 1.00 0.00 H new ATOM 475 N LYS A 34 -4.263 13.131 4.981 1.00 0.00 N ATOM 476 CA LYS A 34 -4.921 14.423 4.823 1.00 0.00 C ATOM 477 C LYS A 34 -3.915 15.502 4.433 1.00 0.00 C ATOM 478 O LYS A 34 -4.146 16.269 3.500 1.00 0.00 O ATOM 479 CB LYS A 34 -5.632 14.818 6.120 1.00 0.00 C ATOM 480 CG LYS A 34 -6.862 15.681 5.901 1.00 0.00 C ATOM 481 CD LYS A 34 -7.871 15.508 7.023 1.00 0.00 C ATOM 482 CE LYS A 34 -8.871 16.653 7.055 1.00 0.00 C ATOM 483 NZ LYS A 34 -9.657 16.670 8.321 1.00 0.00 N ATOM 0 H LYS A 34 -4.658 12.544 5.715 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.658 14.333 4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.923 13.914 6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.931 15.355 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.566 16.728 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.326 15.420 4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.401 14.564 6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.349 15.453 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.342 17.600 6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.550 16.565 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.327 17.465 8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.182 15.777 8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.011 16.780 9.129 1.00 0.00 H new ATOM 497 N ASN A 35 -2.801 15.554 5.154 1.00 0.00 N ATOM 498 CA ASN A 35 -1.759 16.538 4.881 1.00 0.00 C ATOM 499 C ASN A 35 -0.513 15.868 4.313 1.00 0.00 C ATOM 500 O ASN A 35 0.218 16.462 3.520 1.00 0.00 O ATOM 501 CB ASN A 35 -1.404 17.301 6.159 1.00 0.00 C ATOM 502 CG ASN A 35 -2.255 18.543 6.345 1.00 0.00 C ATOM 503 OD1 ASN A 35 -1.835 19.653 6.020 1.00 0.00 O ATOM 504 ND2 ASN A 35 -3.461 18.360 6.874 1.00 0.00 N ATOM 0 H ASN A 35 -2.596 14.927 5.932 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.141 17.240 4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.532 16.644 7.019 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.352 17.585 6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.078 19.158 7.025 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.769 17.422 7.129 1.00 0.00 H new ATOM 511 N GLY A 36 -0.275 14.625 4.723 1.00 0.00 N ATOM 512 CA GLY A 36 0.884 13.895 4.244 1.00 0.00 C ATOM 513 C GLY A 36 1.654 13.228 5.367 1.00 0.00 C ATOM 514 O GLY A 36 2.879 13.319 5.427 1.00 0.00 O ATOM 0 H GLY A 36 -0.864 14.111 5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.563 13.138 3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.545 14.578 3.710 1.00 0.00 H new ATOM 518 N GLU A 37 0.933 12.559 6.261 1.00 0.00 N ATOM 519 CA GLU A 37 1.557 11.877 7.388 1.00 0.00 C ATOM 520 C GLU A 37 1.239 10.384 7.365 1.00 0.00 C ATOM 521 O GLU A 37 1.764 9.613 8.169 1.00 0.00 O ATOM 522 CB GLU A 37 1.084 12.490 8.708 1.00 0.00 C ATOM 523 CG GLU A 37 -0.426 12.482 8.877 1.00 0.00 C ATOM 524 CD GLU A 37 -0.850 12.394 10.330 1.00 0.00 C ATOM 525 OE1 GLU A 37 -0.401 13.239 11.133 1.00 0.00 O ATOM 526 OE2 GLU A 37 -1.632 11.479 10.665 1.00 0.00 O ATOM 0 H GLU A 37 -0.083 12.475 6.227 1.00 0.00 H new ATOM 0 HA GLU A 37 2.636 12.002 7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.537 11.943 9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.443 13.517 8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.842 13.387 8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.845 11.638 8.328 1.00 0.00 H new ATOM 533 N LYS A 38 0.373 9.984 6.439 1.00 0.00 N ATOM 534 CA LYS A 38 -0.016 8.585 6.310 1.00 0.00 C ATOM 535 C LYS A 38 0.993 7.816 5.462 1.00 0.00 C ATOM 536 O LYS A 38 1.125 6.598 5.590 1.00 0.00 O ATOM 537 CB LYS A 38 -1.409 8.478 5.686 1.00 0.00 C ATOM 538 CG LYS A 38 -1.945 7.058 5.633 1.00 0.00 C ATOM 539 CD LYS A 38 -2.581 6.652 6.953 1.00 0.00 C ATOM 540 CE LYS A 38 -2.755 5.145 7.048 1.00 0.00 C ATOM 541 NZ LYS A 38 -1.550 4.483 7.622 1.00 0.00 N ATOM 0 H LYS A 38 -0.072 10.609 5.767 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.036 8.145 7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.102 9.098 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.377 8.883 4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.681 6.976 4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.134 6.371 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.961 7.000 7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.551 7.138 7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.623 4.918 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.955 4.739 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.443 3.536 7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.706 5.052 7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.658 4.398 8.653 1.00 0.00 H new ATOM 555 N LEU A 39 1.701 8.534 4.598 1.00 0.00 N ATOM 556 CA LEU A 39 2.700 7.919 3.730 1.00 0.00 C ATOM 557 C LEU A 39 4.045 7.808 4.441 1.00 0.00 C ATOM 558 O LEU A 39 4.688 6.759 4.412 1.00 0.00 O ATOM 559 CB LEU A 39 2.856 8.731 2.443 1.00 0.00 C ATOM 560 CG LEU A 39 4.198 8.598 1.724 1.00 0.00 C ATOM 561 CD1 LEU A 39 4.332 7.219 1.095 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.349 9.685 0.669 1.00 0.00 C ATOM 0 H LEU A 39 1.602 9.542 4.479 1.00 0.00 H new ATOM 0 HA LEU A 39 2.358 6.915 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.066 8.435 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.696 9.783 2.679 1.00 0.00 H new ATOM 0 HG LEU A 39 4.995 8.719 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.294 7.142 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.270 6.457 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.528 7.068 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.310 9.574 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.546 9.596 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.299 10.664 1.146 1.00 0.00 H new ATOM 574 N GLN A 40 4.462 8.897 5.079 1.00 0.00 N ATOM 575 CA GLN A 40 5.730 8.920 5.799 1.00 0.00 C ATOM 576 C GLN A 40 5.740 7.886 6.920 1.00 0.00 C ATOM 577 O GLN A 40 6.731 7.184 7.121 1.00 0.00 O ATOM 578 CB GLN A 40 5.990 10.314 6.373 1.00 0.00 C ATOM 579 CG GLN A 40 5.424 10.510 7.771 1.00 0.00 C ATOM 580 CD GLN A 40 5.807 11.849 8.372 1.00 0.00 C ATOM 581 OE1 GLN A 40 5.538 12.902 7.793 1.00 0.00 O ATOM 582 NE2 GLN A 40 6.437 11.815 9.540 1.00 0.00 N ATOM 0 H GLN A 40 3.941 9.773 5.112 1.00 0.00 H new ATOM 0 HA GLN A 40 6.523 8.671 5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.065 10.494 6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.556 11.059 5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.338 10.430 7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.781 9.709 8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.640 10.919 9.984 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.718 12.684 9.993 1.00 0.00 H new ATOM 591 N ASP A 41 4.631 7.797 7.646 1.00 0.00 N ATOM 592 CA ASP A 41 4.511 6.849 8.746 1.00 0.00 C ATOM 593 C ASP A 41 4.528 5.413 8.229 1.00 0.00 C ATOM 594 O ASP A 41 5.131 4.529 8.840 1.00 0.00 O ATOM 595 CB ASP A 41 3.224 7.105 9.531 1.00 0.00 C ATOM 596 CG ASP A 41 3.329 6.661 10.977 1.00 0.00 C ATOM 597 OD1 ASP A 41 3.522 5.448 11.212 1.00 0.00 O ATOM 598 OD2 ASP A 41 3.218 7.522 11.873 1.00 0.00 O ATOM 0 H ASP A 41 3.802 8.371 7.492 1.00 0.00 H new ATOM 0 HA ASP A 41 5.365 6.989 9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.987 8.168 9.497 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.399 6.579 9.051 1.00 0.00 H new ATOM 603 N LEU A 42 3.862 5.187 7.103 1.00 0.00 N ATOM 604 CA LEU A 42 3.800 3.858 6.504 1.00 0.00 C ATOM 605 C LEU A 42 5.181 3.404 6.042 1.00 0.00 C ATOM 606 O LEU A 42 5.652 2.333 6.424 1.00 0.00 O ATOM 607 CB LEU A 42 2.827 3.855 5.323 1.00 0.00 C ATOM 608 CG LEU A 42 1.369 3.536 5.655 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.488 3.731 4.431 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.241 2.115 6.186 1.00 0.00 C ATOM 0 H LEU A 42 3.357 5.907 6.586 1.00 0.00 H new ATOM 0 HA LEU A 42 3.444 3.160 7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.864 4.834 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.179 3.129 4.590 1.00 0.00 H new ATOM 0 HG LEU A 42 1.034 4.224 6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.546 3.499 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.556 4.766 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.822 3.068 3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.197 1.906 6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.594 1.412 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.841 2.009 7.090 1.00 0.00 H new ATOM 622 N GLU A 43 5.825 4.227 5.220 1.00 0.00 N ATOM 623 CA GLU A 43 7.152 3.909 4.707 1.00 0.00 C ATOM 624 C GLU A 43 8.078 3.462 5.835 1.00 0.00 C ATOM 625 O GLU A 43 9.009 2.685 5.619 1.00 0.00 O ATOM 626 CB GLU A 43 7.751 5.121 3.992 1.00 0.00 C ATOM 627 CG GLU A 43 7.297 5.261 2.549 1.00 0.00 C ATOM 628 CD GLU A 43 7.841 6.512 1.885 1.00 0.00 C ATOM 629 OE1 GLU A 43 9.074 6.706 1.906 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.033 7.297 1.345 1.00 0.00 O ATOM 0 H GLU A 43 5.449 5.118 4.896 1.00 0.00 H new ATOM 0 HA GLU A 43 7.051 3.090 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.481 6.025 4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.838 5.046 4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.618 4.386 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.208 5.280 2.515 1.00 0.00 H new ATOM 637 N LEU A 44 7.816 3.957 7.039 1.00 0.00 N ATOM 638 CA LEU A 44 8.625 3.610 8.202 1.00 0.00 C ATOM 639 C LEU A 44 8.093 2.351 8.879 1.00 0.00 C ATOM 640 O LEU A 44 8.793 1.342 8.975 1.00 0.00 O ATOM 641 CB LEU A 44 8.643 4.770 9.200 1.00 0.00 C ATOM 642 CG LEU A 44 9.695 5.851 8.953 1.00 0.00 C ATOM 643 CD1 LEU A 44 9.580 6.955 9.992 1.00 0.00 C ATOM 644 CD2 LEU A 44 11.093 5.249 8.965 1.00 0.00 C ATOM 0 H LEU A 44 7.049 4.600 7.236 1.00 0.00 H new ATOM 0 HA LEU A 44 9.642 3.416 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.660 5.241 9.197 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.798 4.362 10.199 1.00 0.00 H new ATOM 0 HG LEU A 44 9.517 6.285 7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.337 7.716 9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.589 7.406 9.935 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.731 6.536 10.987 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.829 6.034 8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.282 4.787 9.934 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.171 4.495 8.182 1.00 0.00 H new ATOM 656 N LYS A 45 6.851 2.415 9.345 1.00 0.00 N ATOM 657 CA LYS A 45 6.223 1.280 10.010 1.00 0.00 C ATOM 658 C LYS A 45 6.426 -0.001 9.206 1.00 0.00 C ATOM 659 O LYS A 45 6.576 -1.085 9.772 1.00 0.00 O ATOM 660 CB LYS A 45 4.728 1.540 10.206 1.00 0.00 C ATOM 661 CG LYS A 45 4.069 0.591 11.192 1.00 0.00 C ATOM 662 CD LYS A 45 2.554 0.659 11.105 1.00 0.00 C ATOM 663 CE LYS A 45 1.998 1.801 11.942 1.00 0.00 C ATOM 664 NZ LYS A 45 0.609 1.526 12.402 1.00 0.00 N ATOM 0 H LYS A 45 6.258 3.242 9.274 1.00 0.00 H new ATOM 0 HA LYS A 45 6.694 1.156 10.985 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.588 2.564 10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.224 1.457 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.400 -0.428 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.388 0.838 12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.254 0.789 10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.126 -0.284 11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.641 1.964 12.807 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.011 2.720 11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.266 2.328 12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.010 1.395 11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.600 0.663 12.982 1.00 0.00 H new ATOM 678 N THR A 46 6.429 0.130 7.883 1.00 0.00 N ATOM 679 CA THR A 46 6.614 -1.016 7.002 1.00 0.00 C ATOM 680 C THR A 46 8.053 -1.103 6.507 1.00 0.00 C ATOM 681 O THR A 46 8.508 -2.163 6.078 1.00 0.00 O ATOM 682 CB THR A 46 5.668 -0.950 5.788 1.00 0.00 C ATOM 683 OG1 THR A 46 6.098 0.079 4.889 1.00 0.00 O ATOM 684 CG2 THR A 46 4.238 -0.678 6.230 1.00 0.00 C ATOM 0 H THR A 46 6.305 1.019 7.398 1.00 0.00 H new ATOM 0 HA THR A 46 6.380 -1.905 7.587 1.00 0.00 H new ATOM 0 HB THR A 46 5.697 -1.914 5.279 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.990 0.954 5.317 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.589 -0.636 5.356 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.904 -1.477 6.892 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.196 0.274 6.760 1.00 0.00 H new ATOM 692 N ALA A 47 8.764 0.017 6.569 1.00 0.00 N ATOM 693 CA ALA A 47 10.153 0.066 6.131 1.00 0.00 C ATOM 694 C ALA A 47 10.271 -0.262 4.646 1.00 0.00 C ATOM 695 O ALA A 47 11.239 -0.887 4.211 1.00 0.00 O ATOM 696 CB ALA A 47 11.001 -0.893 6.953 1.00 0.00 C ATOM 0 H ALA A 47 8.401 0.904 6.919 1.00 0.00 H new ATOM 0 HA ALA A 47 10.521 1.081 6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.036 -0.845 6.614 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.950 -0.613 8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.625 -1.909 6.829 1.00 0.00 H new ATOM 702 N THR A 48 9.279 0.165 3.869 1.00 0.00 N ATOM 703 CA THR A 48 9.270 -0.084 2.433 1.00 0.00 C ATOM 704 C THR A 48 9.368 1.219 1.649 1.00 0.00 C ATOM 705 O THR A 48 9.429 2.303 2.230 1.00 0.00 O ATOM 706 CB THR A 48 7.997 -0.835 2.001 1.00 0.00 C ATOM 707 OG1 THR A 48 6.837 -0.062 2.328 1.00 0.00 O ATOM 708 CG2 THR A 48 7.914 -2.195 2.679 1.00 0.00 C ATOM 0 H THR A 48 8.471 0.685 4.211 1.00 0.00 H new ATOM 0 HA THR A 48 10.140 -0.703 2.214 1.00 0.00 H new ATOM 0 HB THR A 48 8.040 -0.986 0.922 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.626 -0.175 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.007 -2.707 2.358 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.784 -2.792 2.404 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.892 -2.062 3.761 1.00 0.00 H new ATOM 716 N LYS A 49 9.384 1.107 0.324 1.00 0.00 N ATOM 717 CA LYS A 49 9.474 2.276 -0.541 1.00 0.00 C ATOM 718 C LYS A 49 8.168 2.492 -1.300 1.00 0.00 C ATOM 719 O LYS A 49 7.914 1.841 -2.315 1.00 0.00 O ATOM 720 CB LYS A 49 10.631 2.117 -1.530 1.00 0.00 C ATOM 721 CG LYS A 49 11.950 2.669 -1.018 1.00 0.00 C ATOM 722 CD LYS A 49 12.034 4.175 -1.203 1.00 0.00 C ATOM 723 CE LYS A 49 12.155 4.549 -2.673 1.00 0.00 C ATOM 724 NZ LYS A 49 10.822 4.748 -3.306 1.00 0.00 N ATOM 0 H LYS A 49 9.336 0.218 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 49 9.658 3.148 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.756 1.060 -1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.373 2.621 -2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.062 2.425 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.775 2.190 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.147 4.645 -0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.893 4.563 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.742 5.462 -2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.696 3.765 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.679 4.032 -4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.078 4.654 -2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.777 5.697 -3.729 1.00 0.00 H new ATOM 738 N ILE A 50 7.346 3.410 -0.804 1.00 0.00 N ATOM 739 CA ILE A 50 6.068 3.713 -1.439 1.00 0.00 C ATOM 740 C ILE A 50 6.225 4.792 -2.504 1.00 0.00 C ATOM 741 O ILE A 50 6.579 5.930 -2.200 1.00 0.00 O ATOM 742 CB ILE A 50 5.023 4.174 -0.405 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.793 3.083 0.643 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.717 4.533 -1.099 1.00 0.00 C ATOM 745 CD1 ILE A 50 4.020 3.562 1.852 1.00 0.00 C ATOM 0 H ILE A 50 7.541 3.957 0.035 1.00 0.00 H new ATOM 0 HA ILE A 50 5.722 2.792 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 50 5.401 5.062 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.255 2.255 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.758 2.694 0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.988 4.857 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.893 5.339 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.334 3.660 -1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.894 2.737 2.553 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.567 4.370 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.041 3.924 1.538 1.00 0.00 H new ATOM 757 N GLN A 51 5.959 4.424 -3.754 1.00 0.00 N ATOM 758 CA GLN A 51 6.070 5.363 -4.865 1.00 0.00 C ATOM 759 C GLN A 51 4.707 5.616 -5.501 1.00 0.00 C ATOM 760 O GLN A 51 4.160 4.751 -6.185 1.00 0.00 O ATOM 761 CB GLN A 51 7.045 4.829 -5.915 1.00 0.00 C ATOM 762 CG GLN A 51 7.775 5.922 -6.678 1.00 0.00 C ATOM 763 CD GLN A 51 8.611 5.378 -7.821 1.00 0.00 C ATOM 764 OE1 GLN A 51 8.909 4.185 -7.873 1.00 0.00 O ATOM 765 NE2 GLN A 51 8.992 6.252 -8.744 1.00 0.00 N ATOM 0 H GLN A 51 5.666 3.485 -4.022 1.00 0.00 H new ATOM 0 HA GLN A 51 6.449 6.307 -4.474 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.778 4.187 -5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.498 4.206 -6.623 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.048 6.633 -7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.419 6.471 -5.991 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.722 7.232 -8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.555 5.944 -9.537 1.00 0.00 H new ATOM 774 N ILE A 52 4.165 6.808 -5.270 1.00 0.00 N ATOM 775 CA ILE A 52 2.866 7.175 -5.822 1.00 0.00 C ATOM 776 C ILE A 52 3.024 8.013 -7.086 1.00 0.00 C ATOM 777 O ILE A 52 3.868 8.906 -7.168 1.00 0.00 O ATOM 778 CB ILE A 52 2.023 7.959 -4.800 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.798 7.121 -3.539 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.691 8.366 -5.414 1.00 0.00 C ATOM 781 CD1 ILE A 52 1.399 7.940 -2.332 1.00 0.00 C ATOM 0 H ILE A 52 4.605 7.535 -4.705 1.00 0.00 H new ATOM 0 HA ILE A 52 2.352 6.246 -6.068 1.00 0.00 H new ATOM 0 HB ILE A 52 2.566 8.862 -4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.023 6.381 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.711 6.572 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.106 8.919 -4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.869 8.996 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.143 7.474 -5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.256 7.281 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.184 8.662 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.469 8.468 -2.542 1.00 0.00 H new ATOM 793 N PRO A 53 2.190 7.723 -8.096 1.00 0.00 N ATOM 794 CA PRO A 53 2.214 8.441 -9.373 1.00 0.00 C ATOM 795 C PRO A 53 1.713 9.875 -9.243 1.00 0.00 C ATOM 796 O PRO A 53 0.976 10.203 -8.312 1.00 0.00 O ATOM 797 CB PRO A 53 1.269 7.623 -10.258 1.00 0.00 C ATOM 798 CG PRO A 53 0.346 6.947 -9.303 1.00 0.00 C ATOM 799 CD PRO A 53 1.158 6.672 -8.067 1.00 0.00 C ATOM 0 HA PRO A 53 3.225 8.529 -9.771 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.723 8.263 -10.951 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.818 6.898 -10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.511 7.580 -9.074 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.045 6.022 -9.727 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.549 6.731 -7.165 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.599 5.675 -8.089 1.00 0.00 H new ATOM 807 N ARG A 54 2.119 10.727 -10.180 1.00 0.00 N ATOM 808 CA ARG A 54 1.711 12.126 -10.168 1.00 0.00 C ATOM 809 C ARG A 54 0.192 12.250 -10.098 1.00 0.00 C ATOM 810 O ARG A 54 -0.547 11.317 -10.414 1.00 0.00 O ATOM 811 CB ARG A 54 2.235 12.843 -11.414 1.00 0.00 C ATOM 812 CG ARG A 54 3.641 13.398 -11.251 1.00 0.00 C ATOM 813 CD ARG A 54 4.236 13.809 -12.589 1.00 0.00 C ATOM 814 NE ARG A 54 5.695 13.855 -12.547 1.00 0.00 N ATOM 815 CZ ARG A 54 6.382 14.851 -11.999 1.00 0.00 C ATOM 816 NH1 ARG A 54 5.747 15.876 -11.448 1.00 0.00 N ATOM 817 NH2 ARG A 54 7.709 14.821 -12.001 1.00 0.00 N ATOM 0 H ARG A 54 2.730 10.472 -10.956 1.00 0.00 H new ATOM 0 HA ARG A 54 2.137 12.594 -9.281 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.223 12.149 -12.254 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.558 13.660 -11.665 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.619 14.258 -10.582 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.278 12.647 -10.784 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.917 13.106 -13.359 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.850 14.788 -12.872 1.00 0.00 H new ATOM 0 HE ARG A 54 6.214 13.081 -12.961 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.727 15.902 -11.444 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.278 16.639 -11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.201 14.033 -12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.237 15.586 -11.580 1.00 0.00 H new ATOM 831 N PRO A 55 -0.287 13.429 -9.675 1.00 0.00 N ATOM 832 CA PRO A 55 -1.723 13.702 -9.553 1.00 0.00 C ATOM 833 C PRO A 55 -2.410 13.800 -10.911 1.00 0.00 C ATOM 834 O PRO A 55 -3.636 13.884 -10.992 1.00 0.00 O ATOM 835 CB PRO A 55 -1.767 15.052 -8.833 1.00 0.00 C ATOM 836 CG PRO A 55 -0.467 15.701 -9.164 1.00 0.00 C ATOM 837 CD PRO A 55 0.535 14.585 -9.281 1.00 0.00 C ATOM 0 HA PRO A 55 -2.247 12.905 -9.025 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.609 15.655 -9.174 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.882 14.923 -7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.537 16.262 -10.096 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.175 16.408 -8.388 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.299 14.807 -10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.051 14.408 -8.338 1.00 0.00 H new ATOM 845 N ASP A 56 -1.615 13.787 -11.974 1.00 0.00 N ATOM 846 CA ASP A 56 -2.147 13.873 -13.329 1.00 0.00 C ATOM 847 C ASP A 56 -1.625 12.728 -14.192 1.00 0.00 C ATOM 848 O ASP A 56 -1.656 12.800 -15.421 1.00 0.00 O ATOM 849 CB ASP A 56 -1.779 15.215 -13.962 1.00 0.00 C ATOM 850 CG ASP A 56 -0.297 15.517 -13.854 1.00 0.00 C ATOM 851 OD1 ASP A 56 0.259 15.374 -12.746 1.00 0.00 O ATOM 852 OD2 ASP A 56 0.307 15.897 -14.879 1.00 0.00 O ATOM 0 H ASP A 56 -0.599 13.718 -11.924 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.233 13.795 -13.271 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.071 15.211 -15.012 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.346 16.010 -13.477 1.00 0.00 H new ATOM 857 N ASP A 57 -1.144 11.675 -13.541 1.00 0.00 N ATOM 858 CA ASP A 57 -0.613 10.516 -14.248 1.00 0.00 C ATOM 859 C ASP A 57 -1.700 9.466 -14.462 1.00 0.00 C ATOM 860 O ASP A 57 -2.541 9.223 -13.597 1.00 0.00 O ATOM 861 CB ASP A 57 0.555 9.907 -13.470 1.00 0.00 C ATOM 862 CG ASP A 57 1.573 9.246 -14.379 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.219 9.965 -15.168 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.722 8.008 -14.299 1.00 0.00 O ATOM 0 H ASP A 57 -1.111 11.600 -12.524 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.256 10.848 -15.223 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.045 10.686 -12.886 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.172 9.172 -12.762 1.00 0.00 H new ATOM 869 N PRO A 58 -1.683 8.828 -15.642 1.00 0.00 N ATOM 870 CA PRO A 58 -2.660 7.795 -15.997 1.00 0.00 C ATOM 871 C PRO A 58 -2.468 6.515 -15.192 1.00 0.00 C ATOM 872 O PRO A 58 -3.185 5.534 -15.389 1.00 0.00 O ATOM 873 CB PRO A 58 -2.383 7.541 -17.481 1.00 0.00 C ATOM 874 CG PRO A 58 -0.958 7.932 -17.673 1.00 0.00 C ATOM 875 CD PRO A 58 -0.709 9.068 -16.720 1.00 0.00 C ATOM 0 HA PRO A 58 -3.682 8.111 -15.788 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.545 6.495 -17.740 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.045 8.132 -18.114 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.292 7.095 -17.465 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.773 8.238 -18.703 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.315 9.061 -16.346 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.868 10.035 -17.197 1.00 0.00 H new ATOM 883 N SER A 59 -1.497 6.532 -14.285 1.00 0.00 N ATOM 884 CA SER A 59 -1.209 5.370 -13.452 1.00 0.00 C ATOM 885 C SER A 59 -1.786 5.549 -12.051 1.00 0.00 C ATOM 886 O SER A 59 -1.437 6.492 -11.341 1.00 0.00 O ATOM 887 CB SER A 59 0.300 5.137 -13.368 1.00 0.00 C ATOM 888 OG SER A 59 0.752 4.328 -14.440 1.00 0.00 O ATOM 0 H SER A 59 -0.896 7.337 -14.108 1.00 0.00 H new ATOM 0 HA SER A 59 -1.679 4.500 -13.911 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.820 6.095 -13.386 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.545 4.659 -12.419 1.00 0.00 H new ATOM 0 HG SER A 59 1.720 4.195 -14.364 1.00 0.00 H new ATOM 894 N ASN A 60 -2.671 4.638 -11.661 1.00 0.00 N ATOM 895 CA ASN A 60 -3.297 4.694 -10.345 1.00 0.00 C ATOM 896 C ASN A 60 -2.904 3.484 -9.502 1.00 0.00 C ATOM 897 O ASN A 60 -3.654 3.057 -8.625 1.00 0.00 O ATOM 898 CB ASN A 60 -4.819 4.760 -10.484 1.00 0.00 C ATOM 899 CG ASN A 60 -5.382 3.573 -11.242 1.00 0.00 C ATOM 900 OD1 ASN A 60 -5.046 3.349 -12.405 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.243 2.806 -10.584 1.00 0.00 N ATOM 0 H ASN A 60 -2.971 3.852 -12.238 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.945 5.594 -9.841 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.270 4.802 -9.493 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.095 5.680 -10.999 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.655 1.993 -11.042 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.493 3.030 -9.621 1.00 0.00 H new ATOM 908 N GLN A 61 -1.723 2.940 -9.775 1.00 0.00 N ATOM 909 CA GLN A 61 -1.231 1.779 -9.043 1.00 0.00 C ATOM 910 C GLN A 61 0.007 2.136 -8.226 1.00 0.00 C ATOM 911 O GLN A 61 1.036 2.525 -8.779 1.00 0.00 O ATOM 912 CB GLN A 61 -0.908 0.638 -10.009 1.00 0.00 C ATOM 913 CG GLN A 61 0.107 1.014 -11.076 1.00 0.00 C ATOM 914 CD GLN A 61 -0.032 0.179 -12.334 1.00 0.00 C ATOM 915 OE1 GLN A 61 -0.187 0.713 -13.432 1.00 0.00 O ATOM 916 NE2 GLN A 61 0.022 -1.138 -12.179 1.00 0.00 N ATOM 0 H GLN A 61 -1.090 3.284 -10.497 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.015 1.454 -8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.528 -0.211 -9.441 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.828 0.312 -10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.011 2.068 -11.329 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.113 0.893 -10.674 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.152 -1.537 -11.249 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.066 -1.751 -12.989 1.00 0.00 H new ATOM 925 N ILE A 62 -0.100 2.002 -6.909 1.00 0.00 N ATOM 926 CA ILE A 62 1.012 2.310 -6.017 1.00 0.00 C ATOM 927 C ILE A 62 2.080 1.222 -6.074 1.00 0.00 C ATOM 928 O ILE A 62 1.778 0.051 -6.305 1.00 0.00 O ATOM 929 CB ILE A 62 0.537 2.471 -4.560 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.146 3.827 -4.372 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.710 2.324 -3.603 1.00 0.00 C ATOM 932 CD1 ILE A 62 -0.795 3.993 -3.016 1.00 0.00 C ATOM 0 H ILE A 62 -0.945 1.682 -6.435 1.00 0.00 H new ATOM 0 HA ILE A 62 1.438 3.253 -6.358 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.187 1.687 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.590 4.618 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.903 3.954 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.360 2.440 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.157 1.337 -3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.455 3.089 -3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.259 4.977 -2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.555 3.224 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.039 3.898 -2.237 1.00 0.00 H new ATOM 944 N LYS A 63 3.330 1.618 -5.861 1.00 0.00 N ATOM 945 CA LYS A 63 4.445 0.677 -5.884 1.00 0.00 C ATOM 946 C LYS A 63 5.028 0.490 -4.487 1.00 0.00 C ATOM 947 O LYS A 63 5.219 1.457 -3.749 1.00 0.00 O ATOM 948 CB LYS A 63 5.533 1.169 -6.840 1.00 0.00 C ATOM 949 CG LYS A 63 6.668 0.177 -7.033 1.00 0.00 C ATOM 950 CD LYS A 63 6.391 -0.766 -8.193 1.00 0.00 C ATOM 951 CE LYS A 63 7.682 -1.217 -8.862 1.00 0.00 C ATOM 952 NZ LYS A 63 8.124 -0.260 -9.915 1.00 0.00 N ATOM 0 H LYS A 63 3.597 2.584 -5.670 1.00 0.00 H new ATOM 0 HA LYS A 63 4.070 -0.285 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.083 1.386 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.941 2.106 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.597 0.717 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.808 -0.400 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.842 -1.636 -7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.755 -0.268 -8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.465 -1.317 -8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.537 -2.203 -9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.006 -0.602 -10.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.388 -0.183 -10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.287 0.674 -9.489 1.00 0.00 H new ATOM 966 N ILE A 64 5.309 -0.759 -4.131 1.00 0.00 N ATOM 967 CA ILE A 64 5.873 -1.072 -2.824 1.00 0.00 C ATOM 968 C ILE A 64 7.085 -1.988 -2.952 1.00 0.00 C ATOM 969 O ILE A 64 7.002 -3.069 -3.536 1.00 0.00 O ATOM 970 CB ILE A 64 4.833 -1.742 -1.908 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.786 -2.483 -2.744 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.168 -0.706 -1.014 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.786 -3.256 -1.914 1.00 0.00 C ATOM 0 H ILE A 64 5.155 -1.571 -4.729 1.00 0.00 H new ATOM 0 HA ILE A 64 6.181 -0.126 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 64 5.343 -2.467 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.252 -1.763 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.294 -3.171 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.435 -1.196 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.923 -0.220 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.668 0.040 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.075 -3.755 -2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.309 -4.000 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.252 -2.570 -1.257 1.00 0.00 H new ATOM 985 N THR A 65 8.213 -1.548 -2.403 1.00 0.00 N ATOM 986 CA THR A 65 9.443 -2.328 -2.455 1.00 0.00 C ATOM 987 C THR A 65 10.074 -2.454 -1.073 1.00 0.00 C ATOM 988 O THR A 65 10.050 -1.513 -0.281 1.00 0.00 O ATOM 989 CB THR A 65 10.467 -1.698 -3.419 1.00 0.00 C ATOM 990 OG1 THR A 65 9.870 -1.495 -4.705 1.00 0.00 O ATOM 991 CG2 THR A 65 11.696 -2.583 -3.558 1.00 0.00 C ATOM 0 H THR A 65 8.300 -0.655 -1.917 1.00 0.00 H new ATOM 0 HA THR A 65 9.173 -3.319 -2.819 1.00 0.00 H new ATOM 0 HB THR A 65 10.776 -0.737 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.527 -1.093 -5.311 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.404 -2.117 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.165 -2.710 -2.582 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.401 -3.557 -3.948 1.00 0.00 H new ATOM 999 N GLY A 66 10.639 -3.623 -0.789 1.00 0.00 N ATOM 1000 CA GLY A 66 11.268 -3.850 0.498 1.00 0.00 C ATOM 1001 C GLY A 66 11.300 -5.318 0.877 1.00 0.00 C ATOM 1002 O GLY A 66 11.351 -6.191 0.010 1.00 0.00 O ATOM 0 H GLY A 66 10.672 -4.417 -1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.286 -3.462 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.731 -3.292 1.265 1.00 0.00 H new ATOM 1006 N THR A 67 11.273 -5.592 2.178 1.00 0.00 N ATOM 1007 CA THR A 67 11.301 -6.963 2.671 1.00 0.00 C ATOM 1008 C THR A 67 9.941 -7.632 2.514 1.00 0.00 C ATOM 1009 O THR A 67 8.901 -6.995 2.683 1.00 0.00 O ATOM 1010 CB THR A 67 11.721 -7.019 4.151 1.00 0.00 C ATOM 1011 OG1 THR A 67 11.223 -5.871 4.846 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.235 -7.080 4.283 1.00 0.00 C ATOM 0 H THR A 67 11.232 -4.882 2.909 1.00 0.00 H new ATOM 0 HA THR A 67 12.037 -7.499 2.072 1.00 0.00 H new ATOM 0 HB THR A 67 11.297 -7.922 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.493 -5.916 5.787 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.507 -7.119 5.338 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.609 -7.971 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.676 -6.194 3.827 1.00 0.00 H new ATOM 1020 N LYS A 68 9.953 -8.921 2.191 1.00 0.00 N ATOM 1021 CA LYS A 68 8.721 -9.679 2.013 1.00 0.00 C ATOM 1022 C LYS A 68 7.696 -9.309 3.082 1.00 0.00 C ATOM 1023 O LYS A 68 6.494 -9.291 2.821 1.00 0.00 O ATOM 1024 CB LYS A 68 9.008 -11.181 2.066 1.00 0.00 C ATOM 1025 CG LYS A 68 7.883 -12.035 1.508 1.00 0.00 C ATOM 1026 CD LYS A 68 7.998 -12.195 0.001 1.00 0.00 C ATOM 1027 CE LYS A 68 6.887 -13.074 -0.552 1.00 0.00 C ATOM 1028 NZ LYS A 68 6.998 -14.478 -0.069 1.00 0.00 N ATOM 0 H LYS A 68 10.805 -9.463 2.047 1.00 0.00 H new ATOM 0 HA LYS A 68 8.309 -9.429 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.921 -11.388 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.194 -11.471 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.901 -13.017 1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.923 -11.580 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.959 -11.215 -0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.966 -12.631 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.920 -12.665 -0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.922 -13.061 -1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.357 -15.086 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.976 -14.810 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.738 -14.521 0.937 1.00 0.00 H new ATOM 1042 N GLU A 69 8.182 -9.015 4.284 1.00 0.00 N ATOM 1043 CA GLU A 69 7.307 -8.645 5.390 1.00 0.00 C ATOM 1044 C GLU A 69 6.883 -7.183 5.283 1.00 0.00 C ATOM 1045 O GLU A 69 5.712 -6.851 5.466 1.00 0.00 O ATOM 1046 CB GLU A 69 8.011 -8.888 6.728 1.00 0.00 C ATOM 1047 CG GLU A 69 8.257 -10.356 7.029 1.00 0.00 C ATOM 1048 CD GLU A 69 7.057 -11.030 7.664 1.00 0.00 C ATOM 1049 OE1 GLU A 69 6.384 -10.384 8.494 1.00 0.00 O ATOM 1050 OE2 GLU A 69 6.790 -12.204 7.333 1.00 0.00 O ATOM 0 H GLU A 69 9.175 -9.026 4.516 1.00 0.00 H new ATOM 0 HA GLU A 69 6.414 -9.268 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.965 -8.361 6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.410 -8.458 7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.514 -10.874 6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.115 -10.448 7.695 1.00 0.00 H new ATOM 1057 N GLY A 70 7.844 -6.314 4.987 1.00 0.00 N ATOM 1058 CA GLY A 70 7.551 -4.898 4.862 1.00 0.00 C ATOM 1059 C GLY A 70 6.482 -4.617 3.826 1.00 0.00 C ATOM 1060 O GLY A 70 5.483 -3.958 4.119 1.00 0.00 O ATOM 0 H GLY A 70 8.820 -6.565 4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.227 -4.510 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.462 -4.364 4.593 1.00 0.00 H new ATOM 1064 N ILE A 71 6.691 -5.115 2.612 1.00 0.00 N ATOM 1065 CA ILE A 71 5.736 -4.913 1.530 1.00 0.00 C ATOM 1066 C ILE A 71 4.350 -5.418 1.917 1.00 0.00 C ATOM 1067 O ILE A 71 3.342 -4.769 1.638 1.00 0.00 O ATOM 1068 CB ILE A 71 6.187 -5.625 0.240 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.561 -5.114 -0.196 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.162 -5.419 -0.865 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.136 -5.860 -1.380 1.00 0.00 C ATOM 0 H ILE A 71 7.513 -5.661 2.353 1.00 0.00 H new ATOM 0 HA ILE A 71 5.691 -3.839 1.347 1.00 0.00 H new ATOM 0 HB ILE A 71 6.265 -6.694 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.483 -4.056 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.252 -5.193 0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.495 -5.928 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.202 -5.828 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.054 -4.353 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.111 -5.444 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.246 -6.914 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.466 -5.760 -2.234 1.00 0.00 H new ATOM 1083 N GLU A 72 4.309 -6.579 2.563 1.00 0.00 N ATOM 1084 CA GLU A 72 3.045 -7.170 2.989 1.00 0.00 C ATOM 1085 C GLU A 72 2.287 -6.223 3.915 1.00 0.00 C ATOM 1086 O GLU A 72 1.086 -6.002 3.748 1.00 0.00 O ATOM 1087 CB GLU A 72 3.294 -8.503 3.699 1.00 0.00 C ATOM 1088 CG GLU A 72 3.435 -9.680 2.750 1.00 0.00 C ATOM 1089 CD GLU A 72 3.419 -11.015 3.469 1.00 0.00 C ATOM 1090 OE1 GLU A 72 2.437 -11.287 4.191 1.00 0.00 O ATOM 1091 OE2 GLU A 72 4.389 -11.787 3.311 1.00 0.00 O ATOM 0 H GLU A 72 5.134 -7.128 2.803 1.00 0.00 H new ATOM 0 HA GLU A 72 2.438 -7.347 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.199 -8.421 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.471 -8.698 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.624 -9.654 2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.367 -9.583 2.193 1.00 0.00 H new ATOM 1098 N LYS A 73 2.994 -5.665 4.890 1.00 0.00 N ATOM 1099 CA LYS A 73 2.391 -4.741 5.843 1.00 0.00 C ATOM 1100 C LYS A 73 1.734 -3.569 5.121 1.00 0.00 C ATOM 1101 O LYS A 73 0.567 -3.257 5.359 1.00 0.00 O ATOM 1102 CB LYS A 73 3.447 -4.224 6.823 1.00 0.00 C ATOM 1103 CG LYS A 73 3.803 -5.218 7.914 1.00 0.00 C ATOM 1104 CD LYS A 73 5.175 -4.932 8.503 1.00 0.00 C ATOM 1105 CE LYS A 73 5.454 -5.809 9.714 1.00 0.00 C ATOM 1106 NZ LYS A 73 5.794 -7.204 9.322 1.00 0.00 N ATOM 0 H LYS A 73 3.988 -5.837 5.042 1.00 0.00 H new ATOM 0 HA LYS A 73 1.623 -5.280 6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.350 -3.967 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.084 -3.306 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.052 -5.178 8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.784 -6.229 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.940 -5.101 7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.238 -3.882 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.276 -5.383 10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.580 -5.818 10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.414 -7.866 10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.378 -7.414 8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.828 -7.308 9.271 1.00 0.00 H new ATOM 1120 N ALA A 74 2.490 -2.923 4.240 1.00 0.00 N ATOM 1121 CA ALA A 74 1.980 -1.788 3.482 1.00 0.00 C ATOM 1122 C ALA A 74 0.876 -2.220 2.522 1.00 0.00 C ATOM 1123 O ALA A 74 -0.097 -1.494 2.313 1.00 0.00 O ATOM 1124 CB ALA A 74 3.109 -1.112 2.719 1.00 0.00 C ATOM 0 H ALA A 74 3.459 -3.167 4.034 1.00 0.00 H new ATOM 0 HA ALA A 74 1.554 -1.074 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.713 -0.266 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.863 -0.760 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.561 -1.826 2.030 1.00 0.00 H new ATOM 1130 N ARG A 75 1.033 -3.405 1.941 1.00 0.00 N ATOM 1131 CA ARG A 75 0.050 -3.932 1.003 1.00 0.00 C ATOM 1132 C ARG A 75 -1.244 -4.302 1.722 1.00 0.00 C ATOM 1133 O ARG A 75 -2.331 -4.223 1.148 1.00 0.00 O ATOM 1134 CB ARG A 75 0.611 -5.157 0.278 1.00 0.00 C ATOM 1135 CG ARG A 75 0.063 -5.336 -1.128 1.00 0.00 C ATOM 1136 CD ARG A 75 0.695 -6.532 -1.824 1.00 0.00 C ATOM 1137 NE ARG A 75 -0.028 -6.905 -3.036 1.00 0.00 N ATOM 1138 CZ ARG A 75 0.199 -8.025 -3.713 1.00 0.00 C ATOM 1139 NH1 ARG A 75 1.127 -8.877 -3.298 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -0.500 -8.295 -4.807 1.00 0.00 N ATOM 0 H ARG A 75 1.832 -4.018 2.104 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.170 -3.154 0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.697 -5.073 0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.387 -6.049 0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.018 -5.468 -1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.250 -4.434 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.730 -6.299 -2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.717 -7.380 -1.139 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.747 -6.270 -3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.668 -8.673 -2.458 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.300 -9.737 -3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.214 -7.642 -5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.324 -9.156 -5.325 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.121 -4.708 2.982 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.281 -5.090 3.779 1.00 0.00 C ATOM 1156 C HIS A 76 -3.041 -3.857 4.258 1.00 0.00 C ATOM 1157 O HIS A 76 -4.259 -3.896 4.429 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.845 -5.932 4.979 1.00 0.00 C ATOM 1159 CG HIS A 76 -2.976 -6.654 5.646 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.716 -7.636 5.021 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.491 -6.532 6.891 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.638 -8.086 5.853 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.523 -7.432 6.995 1.00 0.00 N ATOM 0 H HIS A 76 -0.230 -4.781 3.473 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.945 -5.682 3.150 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.103 -6.660 4.651 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.357 -5.285 5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.153 -5.853 7.660 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.362 -8.857 5.637 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.106 -7.573 7.820 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.314 -2.765 4.472 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.920 -1.522 4.933 1.00 0.00 C ATOM 1173 C GLU A 77 -3.546 -0.758 3.768 1.00 0.00 C ATOM 1174 O GLU A 77 -4.675 -0.278 3.862 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.878 -0.646 5.630 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.383 -1.222 6.947 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.430 -1.157 8.042 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -2.724 -0.039 8.516 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.956 -2.223 8.425 1.00 0.00 O ATOM 0 H GLU A 77 -1.305 -2.716 4.333 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.706 -1.774 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.028 -0.505 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.307 0.339 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.084 -2.259 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.494 -0.678 7.266 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.802 -0.650 2.673 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.281 0.056 1.490 1.00 0.00 C ATOM 1188 C VAL A 78 -4.517 -0.622 0.910 1.00 0.00 C ATOM 1189 O VAL A 78 -5.392 0.036 0.344 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.193 0.132 0.403 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -2.003 -1.224 -0.259 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.545 1.193 -0.629 1.00 0.00 C ATOM 0 H VAL A 78 -1.865 -1.042 2.580 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.539 1.067 1.806 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.252 0.414 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.230 -1.150 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.703 -1.956 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.940 -1.539 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.765 1.233 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.497 0.943 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.625 2.164 -0.140 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.584 -1.942 1.054 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.715 -2.710 0.545 1.00 0.00 C ATOM 1204 C LEU A 79 -6.905 -2.619 1.492 1.00 0.00 C ATOM 1205 O LEU A 79 -8.050 -2.479 1.057 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.314 -4.174 0.349 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.652 -4.516 -0.986 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.995 -5.886 -0.921 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.670 -4.464 -2.115 1.00 0.00 C ATOM 0 H LEU A 79 -3.869 -2.502 1.519 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.007 -2.287 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.632 -4.454 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.205 -4.792 0.458 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.879 -3.774 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.529 -6.112 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.235 -5.889 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.749 -6.641 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.181 -4.710 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.466 -5.183 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.094 -3.462 -2.177 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.631 -2.698 2.789 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.680 -2.622 3.800 1.00 0.00 C ATOM 1223 C LEU A 80 -8.437 -1.302 3.701 1.00 0.00 C ATOM 1224 O LEU A 80 -9.662 -1.266 3.825 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.080 -2.776 5.199 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.938 -4.208 5.715 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.028 -4.249 6.933 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.303 -4.793 6.047 1.00 0.00 C ATOM 0 H LEU A 80 -5.690 -2.815 3.166 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.382 -3.436 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.094 -2.310 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.699 -2.218 5.901 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.487 -4.814 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.939 -5.276 7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.042 -3.871 6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.450 -3.629 7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.183 -5.813 6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.782 -4.186 6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.924 -4.800 5.151 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.701 -0.219 3.475 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.304 1.102 3.356 1.00 0.00 C ATOM 1242 C ILE A 81 -9.140 1.214 2.086 1.00 0.00 C ATOM 1243 O ILE A 81 -10.300 1.622 2.127 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.234 2.210 3.351 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.452 2.200 4.666 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.880 3.569 3.123 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -5.031 2.702 4.527 1.00 0.00 C ATOM 0 H ILE A 81 -6.686 -0.231 3.371 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.949 1.233 4.225 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.538 2.019 2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.977 2.816 5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.433 1.184 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.111 4.342 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.397 3.570 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.596 3.770 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.536 2.667 5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.490 2.072 3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.042 3.729 4.162 1.00 0.00 H new ATOM 1259 N SER A 82 -8.542 0.845 0.957 1.00 0.00 N ATOM 1260 CA SER A 82 -9.232 0.904 -0.327 1.00 0.00 C ATOM 1261 C SER A 82 -10.503 0.062 -0.301 1.00 0.00 C ATOM 1262 O SER A 82 -11.544 0.472 -0.814 1.00 0.00 O ATOM 1263 CB SER A 82 -8.309 0.421 -1.448 1.00 0.00 C ATOM 1264 OG SER A 82 -7.735 -0.835 -1.129 1.00 0.00 O ATOM 0 H SER A 82 -7.583 0.503 0.905 1.00 0.00 H new ATOM 0 HA SER A 82 -9.509 1.941 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.872 0.342 -2.378 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.519 1.154 -1.615 1.00 0.00 H new ATOM 0 HG SER A 82 -7.983 -1.085 -0.215 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.410 -1.120 0.301 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.552 -2.020 0.397 1.00 0.00 C ATOM 1272 C ALA A 83 -12.720 -1.351 1.113 1.00 0.00 C ATOM 1273 O ALA A 83 -13.833 -1.300 0.590 1.00 0.00 O ATOM 1274 CB ALA A 83 -11.155 -3.302 1.115 1.00 0.00 C ATOM 0 H ALA A 83 -9.555 -1.476 0.729 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.874 -2.267 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.018 -3.965 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.357 -3.797 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.805 -3.063 2.119 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.459 -0.840 2.312 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.491 -0.174 3.099 1.00 0.00 C ATOM 1282 C GLU A 84 -14.284 0.806 2.240 1.00 0.00 C ATOM 1283 O GLU A 84 -15.514 0.826 2.278 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.864 0.560 4.285 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.327 -0.368 5.362 1.00 0.00 C ATOM 1286 CD GLU A 84 -11.566 0.372 6.444 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -12.193 1.173 7.169 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -10.342 0.150 6.566 1.00 0.00 O ATOM 0 H GLU A 84 -11.543 -0.874 2.759 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.175 -0.936 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.052 1.190 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.609 1.222 4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.156 -0.912 5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.672 -1.109 4.904 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.569 1.618 1.467 1.00 0.00 N ATOM 1296 CA GLN A 85 -14.206 2.602 0.599 1.00 0.00 C ATOM 1297 C GLN A 85 -15.251 1.945 -0.295 1.00 0.00 C ATOM 1298 O GLN A 85 -16.383 2.418 -0.395 1.00 0.00 O ATOM 1299 CB GLN A 85 -13.156 3.310 -0.259 1.00 0.00 C ATOM 1300 CG GLN A 85 -12.022 3.921 0.548 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.515 4.838 1.649 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.644 5.330 1.603 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.672 5.074 2.647 1.00 0.00 N ATOM 0 H GLN A 85 -12.550 1.614 1.424 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.706 3.337 1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.741 2.597 -0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.642 4.095 -0.839 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.423 3.123 0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.367 4.481 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.746 4.646 2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.950 5.684 3.416 1.00 0.00 H new