USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 476 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 Single : A 14 HIS : no HD1:sc=-0.00398 X(o=-0.004,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0304 X(o=-0.03,f=-0.17) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -3.25 K(o=-3.2,f=-1) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= 1.13 (180deg=0.0189) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -136:sc= 1.23 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.234) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -157:sc= -4.88! USER MOD Single : A 76 GLN : amide:sc= -0.933 X(o=-0.93,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 225 N GLU A 13 -6.307 1.745 -6.355 1.00 0.00 N ATOM 226 CA GLU A 13 -5.512 1.485 -7.549 1.00 0.00 C ATOM 227 C GLU A 13 -4.098 1.055 -7.175 1.00 0.00 C ATOM 228 O GLU A 13 -3.276 1.876 -6.767 1.00 0.00 O ATOM 229 CB GLU A 13 -5.461 2.730 -8.436 1.00 0.00 C ATOM 230 CG GLU A 13 -6.793 3.068 -9.086 1.00 0.00 C ATOM 231 CD GLU A 13 -7.124 2.153 -10.250 1.00 0.00 C ATOM 232 OE1 GLU A 13 -7.180 0.923 -10.041 1.00 0.00 O ATOM 233 OE2 GLU A 13 -7.328 2.667 -11.370 1.00 0.00 O ATOM 0 HA GLU A 13 -5.986 0.674 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.132 3.579 -7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.713 2.581 -9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.585 3.001 -8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.771 4.100 -9.435 1.00 0.00 H new ATOM 240 N HIS A 14 -3.823 -0.237 -7.314 1.00 0.00 N ATOM 241 CA HIS A 14 -2.511 -0.781 -6.980 1.00 0.00 C ATOM 242 C HIS A 14 -1.630 -0.882 -8.220 1.00 0.00 C ATOM 243 O HIS A 14 -1.939 -1.618 -9.157 1.00 0.00 O ATOM 244 CB HIS A 14 -2.645 -2.164 -6.327 1.00 0.00 C ATOM 245 CG HIS A 14 -3.939 -2.378 -5.601 1.00 0.00 C ATOM 246 ND1 HIS A 14 -4.823 -3.388 -5.921 1.00 0.00 N ATOM 247 CD2 HIS A 14 -4.500 -1.703 -4.569 1.00 0.00 C ATOM 248 CE1 HIS A 14 -5.870 -3.326 -5.116 1.00 0.00 C ATOM 249 NE2 HIS A 14 -5.698 -2.313 -4.288 1.00 0.00 N ATOM 0 H HIS A 14 -4.491 -0.928 -7.656 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.042 -0.099 -6.271 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.543 -2.928 -7.097 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.821 -2.304 -5.627 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.083 -0.845 -4.062 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.721 -3.991 -5.133 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.350 -2.029 -3.557 1.00 0.00 H new ATOM 258 N VAL A 15 -0.524 -0.146 -8.213 1.00 0.00 N ATOM 259 CA VAL A 15 0.415 -0.160 -9.330 1.00 0.00 C ATOM 260 C VAL A 15 1.743 -0.771 -8.900 1.00 0.00 C ATOM 261 O VAL A 15 2.190 -0.565 -7.774 1.00 0.00 O ATOM 262 CB VAL A 15 0.681 1.257 -9.887 1.00 0.00 C ATOM 263 CG1 VAL A 15 1.073 1.183 -11.355 1.00 0.00 C ATOM 264 CG2 VAL A 15 -0.529 2.167 -9.697 1.00 0.00 C ATOM 0 H VAL A 15 -0.255 0.469 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.043 -0.761 -10.116 1.00 0.00 H new ATOM 0 HB VAL A 15 1.509 1.689 -9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.257 2.188 -11.734 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.978 0.584 -11.460 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.265 0.723 -11.925 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.308 3.155 -10.100 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.387 1.746 -10.221 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.758 2.251 -8.635 1.00 0.00 H new ATOM 274 N ILE A 16 2.373 -1.523 -9.795 1.00 0.00 N ATOM 275 CA ILE A 16 3.654 -2.145 -9.482 1.00 0.00 C ATOM 276 C ILE A 16 4.813 -1.259 -9.924 1.00 0.00 C ATOM 277 O ILE A 16 5.028 -1.036 -11.115 1.00 0.00 O ATOM 278 CB ILE A 16 3.792 -3.545 -10.121 1.00 0.00 C ATOM 279 CG1 ILE A 16 2.740 -4.488 -9.538 1.00 0.00 C ATOM 280 CG2 ILE A 16 5.192 -4.109 -9.892 1.00 0.00 C ATOM 281 CD1 ILE A 16 2.922 -5.931 -9.950 1.00 0.00 C ATOM 0 H ILE A 16 2.023 -1.716 -10.733 1.00 0.00 H new ATOM 0 HA ILE A 16 3.688 -2.265 -8.399 1.00 0.00 H new ATOM 0 HB ILE A 16 3.633 -3.454 -11.196 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.770 -4.423 -8.450 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.751 -4.152 -9.850 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.266 -5.095 -10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.930 -3.444 -10.340 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.381 -4.191 -8.822 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.139 -6.540 -9.498 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.862 -6.010 -11.035 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.897 -6.285 -9.614 1.00 0.00 H new ATOM 293 N LEU A 17 5.565 -0.780 -8.945 1.00 0.00 N ATOM 294 CA LEU A 17 6.707 0.080 -9.197 1.00 0.00 C ATOM 295 C LEU A 17 8.009 -0.690 -9.098 1.00 0.00 C ATOM 296 O LEU A 17 8.127 -1.632 -8.315 1.00 0.00 O ATOM 297 CB LEU A 17 6.734 1.207 -8.179 1.00 0.00 C ATOM 298 CG LEU A 17 5.837 2.387 -8.518 1.00 0.00 C ATOM 299 CD1 LEU A 17 4.814 2.608 -7.422 1.00 0.00 C ATOM 300 CD2 LEU A 17 6.671 3.634 -8.738 1.00 0.00 C ATOM 0 H LEU A 17 5.400 -0.976 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 17 6.607 0.478 -10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.438 0.809 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.759 1.564 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 17 5.301 2.166 -9.441 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.181 3.456 -7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.198 1.715 -7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.326 2.812 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.017 4.471 -8.980 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.231 3.862 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.366 3.467 -9.561 1.00 0.00 H new ATOM 312 N ASN A 18 9.002 -0.253 -9.855 1.00 0.00 N ATOM 313 CA ASN A 18 10.320 -0.846 -9.766 1.00 0.00 C ATOM 314 C ASN A 18 11.013 -0.312 -8.523 1.00 0.00 C ATOM 315 O ASN A 18 10.840 0.853 -8.166 1.00 0.00 O ATOM 316 CB ASN A 18 11.145 -0.532 -11.015 1.00 0.00 C ATOM 317 CG ASN A 18 10.343 -0.687 -12.292 1.00 0.00 C ATOM 318 OD1 ASN A 18 9.530 -1.602 -12.421 1.00 0.00 O ATOM 319 ND2 ASN A 18 10.568 0.210 -13.245 1.00 0.00 N ATOM 0 H ASN A 18 8.919 0.505 -10.532 1.00 0.00 H new ATOM 0 HA ASN A 18 10.225 -1.930 -9.698 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.525 0.488 -10.949 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.011 -1.193 -11.051 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.057 0.157 -14.126 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.251 0.952 -13.096 1.00 0.00 H new ATOM 326 N GLU A 19 11.777 -1.161 -7.846 1.00 0.00 N ATOM 327 CA GLU A 19 12.452 -0.755 -6.617 1.00 0.00 C ATOM 328 C GLU A 19 13.118 0.606 -6.788 1.00 0.00 C ATOM 329 O GLU A 19 13.111 1.427 -5.873 1.00 0.00 O ATOM 330 CB GLU A 19 13.488 -1.801 -6.204 1.00 0.00 C ATOM 331 CG GLU A 19 13.762 -1.831 -4.712 1.00 0.00 C ATOM 332 CD GLU A 19 15.017 -2.606 -4.363 1.00 0.00 C ATOM 333 OE1 GLU A 19 15.449 -3.438 -5.188 1.00 0.00 O ATOM 334 OE2 GLU A 19 15.567 -2.382 -3.264 1.00 0.00 O ATOM 0 H GLU A 19 11.945 -2.128 -8.124 1.00 0.00 H new ATOM 0 HA GLU A 19 11.702 -0.675 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.144 -2.785 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.421 -1.604 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.857 -0.810 -4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.910 -2.277 -4.199 1.00 0.00 H new ATOM 341 N SER A 20 13.629 0.860 -7.988 1.00 0.00 N ATOM 342 CA SER A 20 14.253 2.139 -8.299 1.00 0.00 C ATOM 343 C SER A 20 13.193 3.228 -8.437 1.00 0.00 C ATOM 344 O SER A 20 13.307 4.301 -7.843 1.00 0.00 O ATOM 345 CB SER A 20 15.068 2.034 -9.589 1.00 0.00 C ATOM 346 OG SER A 20 15.637 3.285 -9.937 1.00 0.00 O ATOM 0 H SER A 20 13.623 0.195 -8.762 1.00 0.00 H new ATOM 0 HA SER A 20 14.923 2.404 -7.481 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.858 1.294 -9.464 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.428 1.684 -10.399 1.00 0.00 H new ATOM 0 HG SER A 20 16.154 3.190 -10.764 1.00 0.00 H new ATOM 352 N GLU A 21 12.153 2.939 -9.216 1.00 0.00 N ATOM 353 CA GLU A 21 11.060 3.882 -9.412 1.00 0.00 C ATOM 354 C GLU A 21 10.379 4.185 -8.089 1.00 0.00 C ATOM 355 O GLU A 21 10.183 5.342 -7.726 1.00 0.00 O ATOM 356 CB GLU A 21 10.035 3.310 -10.394 1.00 0.00 C ATOM 357 CG GLU A 21 9.651 4.271 -11.507 1.00 0.00 C ATOM 358 CD GLU A 21 8.286 3.970 -12.095 1.00 0.00 C ATOM 359 OE1 GLU A 21 7.947 2.775 -12.225 1.00 0.00 O ATOM 360 OE2 GLU A 21 7.558 4.929 -12.427 1.00 0.00 O ATOM 0 H GLU A 21 12.046 2.059 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 21 11.473 4.804 -9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.438 2.399 -10.836 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.137 3.027 -9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.659 5.290 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.401 4.224 -12.297 1.00 0.00 H new ATOM 367 N ALA A 22 10.023 3.131 -7.374 1.00 0.00 N ATOM 368 CA ALA A 22 9.375 3.270 -6.084 1.00 0.00 C ATOM 369 C ALA A 22 10.335 3.857 -5.058 1.00 0.00 C ATOM 370 O ALA A 22 9.915 4.489 -4.089 1.00 0.00 O ATOM 371 CB ALA A 22 8.841 1.926 -5.622 1.00 0.00 C ATOM 0 H ALA A 22 10.173 2.166 -7.668 1.00 0.00 H new ATOM 0 HA ALA A 22 8.536 3.959 -6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.356 2.041 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.118 1.553 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.665 1.218 -5.534 1.00 0.00 H new ATOM 377 N LYS A 23 11.628 3.633 -5.272 1.00 0.00 N ATOM 378 CA LYS A 23 12.646 4.147 -4.367 1.00 0.00 C ATOM 379 C LYS A 23 12.573 5.665 -4.278 1.00 0.00 C ATOM 380 O LYS A 23 12.532 6.225 -3.183 1.00 0.00 O ATOM 381 CB LYS A 23 14.043 3.717 -4.820 1.00 0.00 C ATOM 382 CG LYS A 23 14.623 2.576 -3.997 1.00 0.00 C ATOM 383 CD LYS A 23 15.705 1.826 -4.759 1.00 0.00 C ATOM 384 CE LYS A 23 16.511 0.925 -3.838 1.00 0.00 C ATOM 385 NZ LYS A 23 17.562 0.172 -4.576 1.00 0.00 N ATOM 0 H LYS A 23 11.993 3.101 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 23 12.455 3.729 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.000 3.415 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.715 4.574 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.038 2.971 -3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.827 1.885 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.248 1.227 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.370 2.539 -5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.977 1.527 -3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.842 0.222 -3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.089 -0.430 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.117 -0.422 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.216 0.842 -5.029 1.00 0.00 H new ATOM 399 N ARG A 24 12.549 6.334 -5.429 1.00 0.00 N ATOM 400 CA ARG A 24 12.465 7.789 -5.436 1.00 0.00 C ATOM 401 C ARG A 24 11.108 8.246 -4.929 1.00 0.00 C ATOM 402 O ARG A 24 11.014 9.225 -4.204 1.00 0.00 O ATOM 403 CB ARG A 24 12.713 8.381 -6.823 1.00 0.00 C ATOM 404 CG ARG A 24 12.221 7.531 -7.969 1.00 0.00 C ATOM 405 CD ARG A 24 12.318 8.287 -9.281 1.00 0.00 C ATOM 406 NE ARG A 24 11.719 7.556 -10.395 1.00 0.00 N ATOM 407 CZ ARG A 24 12.363 6.638 -11.109 1.00 0.00 C ATOM 408 NH1 ARG A 24 13.618 6.318 -10.818 1.00 0.00 N ATOM 409 NH2 ARG A 24 11.746 6.027 -12.111 1.00 0.00 N ATOM 0 H ARG A 24 12.586 5.900 -6.351 1.00 0.00 H new ATOM 0 HA ARG A 24 13.250 8.151 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.230 9.356 -6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.783 8.548 -6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.809 6.615 -8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.187 7.235 -7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.824 9.253 -9.177 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.366 8.488 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 24 10.750 7.762 -10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.095 6.777 -10.042 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.106 5.613 -11.370 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.779 6.262 -12.333 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.239 5.322 -12.660 1.00 0.00 H new ATOM 423 N VAL A 25 10.059 7.537 -5.324 1.00 0.00 N ATOM 424 CA VAL A 25 8.710 7.887 -4.900 1.00 0.00 C ATOM 425 C VAL A 25 8.601 7.867 -3.380 1.00 0.00 C ATOM 426 O VAL A 25 8.217 8.859 -2.760 1.00 0.00 O ATOM 427 CB VAL A 25 7.664 6.920 -5.482 1.00 0.00 C ATOM 428 CG1 VAL A 25 6.260 7.459 -5.260 1.00 0.00 C ATOM 429 CG2 VAL A 25 7.913 6.669 -6.962 1.00 0.00 C ATOM 0 H VAL A 25 10.115 6.721 -5.934 1.00 0.00 H new ATOM 0 HA VAL A 25 8.511 8.891 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 25 7.757 5.968 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.533 6.763 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.079 7.575 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.160 8.427 -5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.159 5.982 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.856 7.612 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.903 6.233 -7.096 1.00 0.00 H new ATOM 439 N LEU A 26 8.969 6.737 -2.784 1.00 0.00 N ATOM 440 CA LEU A 26 8.932 6.589 -1.336 1.00 0.00 C ATOM 441 C LEU A 26 9.659 7.745 -0.661 1.00 0.00 C ATOM 442 O LEU A 26 9.110 8.406 0.221 1.00 0.00 O ATOM 443 CB LEU A 26 9.562 5.259 -0.929 1.00 0.00 C ATOM 444 CG LEU A 26 8.643 4.344 -0.124 1.00 0.00 C ATOM 445 CD1 LEU A 26 8.987 2.885 -0.365 1.00 0.00 C ATOM 446 CD2 LEU A 26 8.738 4.678 1.351 1.00 0.00 C ATOM 0 H LEU A 26 9.296 5.910 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 26 7.891 6.601 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.881 4.732 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.458 5.460 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 26 7.617 4.506 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.319 2.252 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.872 2.654 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.018 2.700 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.079 4.020 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.765 4.541 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.439 5.714 1.509 1.00 0.00 H new ATOM 458 N LYS A 27 10.893 7.991 -1.089 1.00 0.00 N ATOM 459 CA LYS A 27 11.680 9.087 -0.541 1.00 0.00 C ATOM 460 C LYS A 27 11.056 10.422 -0.927 1.00 0.00 C ATOM 461 O LYS A 27 11.073 11.380 -0.155 1.00 0.00 O ATOM 462 CB LYS A 27 13.124 9.015 -1.043 1.00 0.00 C ATOM 463 CG LYS A 27 13.736 7.626 -0.946 1.00 0.00 C ATOM 464 CD LYS A 27 14.513 7.446 0.348 1.00 0.00 C ATOM 465 CE LYS A 27 15.464 6.263 0.268 1.00 0.00 C ATOM 466 NZ LYS A 27 16.831 6.616 0.741 1.00 0.00 N ATOM 0 H LYS A 27 11.367 7.448 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 27 11.687 9.000 0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.155 9.344 -2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.734 9.712 -0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.948 6.876 -1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.399 7.460 -1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.077 8.353 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.817 7.299 1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.073 5.442 0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.516 5.908 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.449 5.782 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.215 7.382 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.785 6.930 1.731 1.00 0.00 H new ATOM 480 N GLU A 28 10.491 10.461 -2.127 1.00 0.00 N ATOM 481 CA GLU A 28 9.820 11.649 -2.631 1.00 0.00 C ATOM 482 C GLU A 28 8.627 11.983 -1.747 1.00 0.00 C ATOM 483 O GLU A 28 8.374 13.143 -1.425 1.00 0.00 O ATOM 484 CB GLU A 28 9.348 11.407 -4.068 1.00 0.00 C ATOM 485 CG GLU A 28 10.421 11.643 -5.119 1.00 0.00 C ATOM 486 CD GLU A 28 10.122 12.840 -6.001 1.00 0.00 C ATOM 487 OE1 GLU A 28 9.202 12.744 -6.839 1.00 0.00 O ATOM 488 OE2 GLU A 28 10.808 13.873 -5.851 1.00 0.00 O ATOM 0 H GLU A 28 10.486 9.673 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 28 10.519 12.486 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.989 10.381 -4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.500 12.060 -4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.381 11.791 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.517 10.753 -5.741 1.00 0.00 H new ATOM 495 N LEU A 29 7.912 10.939 -1.349 1.00 0.00 N ATOM 496 CA LEU A 29 6.749 11.076 -0.483 1.00 0.00 C ATOM 497 C LEU A 29 7.146 11.486 0.937 1.00 0.00 C ATOM 498 O LEU A 29 6.284 11.782 1.764 1.00 0.00 O ATOM 499 CB LEU A 29 5.992 9.757 -0.441 1.00 0.00 C ATOM 500 CG LEU A 29 4.952 9.586 -1.545 1.00 0.00 C ATOM 501 CD1 LEU A 29 5.628 9.512 -2.903 1.00 0.00 C ATOM 502 CD2 LEU A 29 4.114 8.347 -1.293 1.00 0.00 C ATOM 0 H LEU A 29 8.121 9.977 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 29 6.114 11.862 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.710 8.939 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.495 9.669 0.525 1.00 0.00 H new ATOM 0 HG LEU A 29 4.291 10.453 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.873 9.390 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.187 10.431 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.310 8.662 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.377 8.238 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.759 7.469 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.603 8.442 -0.335 1.00 0.00 H new ATOM 514 N ASP A 30 8.455 11.494 1.214 1.00 0.00 N ATOM 515 CA ASP A 30 8.976 11.837 2.540 1.00 0.00 C ATOM 516 C ASP A 30 8.952 10.618 3.455 1.00 0.00 C ATOM 517 O ASP A 30 8.553 10.704 4.616 1.00 0.00 O ATOM 518 CB ASP A 30 8.188 12.990 3.170 1.00 0.00 C ATOM 519 CG ASP A 30 8.950 13.668 4.292 1.00 0.00 C ATOM 520 OD1 ASP A 30 10.090 14.117 4.049 1.00 0.00 O ATOM 521 OD2 ASP A 30 8.407 13.751 5.413 1.00 0.00 O ATOM 0 H ASP A 30 9.177 11.265 0.531 1.00 0.00 H new ATOM 0 HA ASP A 30 10.008 12.165 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.949 13.725 2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.241 12.611 3.555 1.00 0.00 H new ATOM 526 N ALA A 31 9.386 9.484 2.915 1.00 0.00 N ATOM 527 CA ALA A 31 9.429 8.237 3.669 1.00 0.00 C ATOM 528 C ALA A 31 10.299 7.207 2.959 1.00 0.00 C ATOM 529 O ALA A 31 10.647 7.374 1.791 1.00 0.00 O ATOM 530 CB ALA A 31 8.025 7.687 3.868 1.00 0.00 C ATOM 0 H ALA A 31 9.715 9.403 1.953 1.00 0.00 H new ATOM 0 HA ALA A 31 9.866 8.446 4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.076 6.756 4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.425 8.412 4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.567 7.498 2.897 1.00 0.00 H new ATOM 536 N HIS A 32 10.641 6.138 3.666 1.00 0.00 N ATOM 537 CA HIS A 32 11.454 5.074 3.094 1.00 0.00 C ATOM 538 C HIS A 32 10.799 3.722 3.323 1.00 0.00 C ATOM 539 O HIS A 32 10.049 3.540 4.283 1.00 0.00 O ATOM 540 CB HIS A 32 12.863 5.075 3.690 1.00 0.00 C ATOM 541 CG HIS A 32 13.330 6.418 4.162 1.00 0.00 C ATOM 542 ND1 HIS A 32 14.010 6.606 5.348 1.00 0.00 N ATOM 543 CD2 HIS A 32 13.209 7.645 3.602 1.00 0.00 C ATOM 544 CE1 HIS A 32 14.287 7.889 5.496 1.00 0.00 C ATOM 545 NE2 HIS A 32 13.812 8.540 4.451 1.00 0.00 N ATOM 0 H HIS A 32 10.368 5.985 4.637 1.00 0.00 H new ATOM 0 HA HIS A 32 11.533 5.256 2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.891 4.378 4.528 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.562 4.702 2.941 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.728 7.876 2.663 1.00 0.00 H new ATOM 0 HE1 HIS A 32 14.813 8.330 6.330 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.882 9.546 4.298 1.00 0.00 H new ATOM 554 N PRO A 33 11.046 2.757 2.425 1.00 0.00 N ATOM 555 CA PRO A 33 10.473 1.421 2.537 1.00 0.00 C ATOM 556 C PRO A 33 10.772 0.792 3.891 1.00 0.00 C ATOM 557 O PRO A 33 10.029 -0.065 4.369 1.00 0.00 O ATOM 558 CB PRO A 33 11.141 0.634 1.403 1.00 0.00 C ATOM 559 CG PRO A 33 12.315 1.454 0.994 1.00 0.00 C ATOM 560 CD PRO A 33 11.923 2.877 1.255 1.00 0.00 C ATOM 0 HA PRO A 33 9.386 1.432 2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.450 -0.355 1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.455 0.486 0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.202 1.181 1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.553 1.300 -0.058 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.790 3.505 1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.405 3.318 0.403 1.00 0.00 H new ATOM 568 N GLU A 34 11.855 1.245 4.517 1.00 0.00 N ATOM 569 CA GLU A 34 12.228 0.762 5.839 1.00 0.00 C ATOM 570 C GLU A 34 11.252 1.294 6.881 1.00 0.00 C ATOM 571 O GLU A 34 11.006 0.656 7.904 1.00 0.00 O ATOM 572 CB GLU A 34 13.654 1.196 6.186 1.00 0.00 C ATOM 573 CG GLU A 34 14.608 1.153 5.004 1.00 0.00 C ATOM 574 CD GLU A 34 16.059 1.287 5.423 1.00 0.00 C ATOM 575 OE1 GLU A 34 16.363 1.023 6.605 1.00 0.00 O ATOM 576 OE2 GLU A 34 16.891 1.659 4.569 1.00 0.00 O ATOM 0 H GLU A 34 12.487 1.945 4.129 1.00 0.00 H new ATOM 0 HA GLU A 34 12.188 -0.327 5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.629 2.210 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.039 0.551 6.976 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.474 0.214 4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.358 1.956 4.310 1.00 0.00 H new ATOM 583 N GLN A 35 10.688 2.466 6.600 1.00 0.00 N ATOM 584 CA GLN A 35 9.718 3.083 7.492 1.00 0.00 C ATOM 585 C GLN A 35 8.302 2.695 7.088 1.00 0.00 C ATOM 586 O GLN A 35 7.399 2.639 7.923 1.00 0.00 O ATOM 587 CB GLN A 35 9.870 4.606 7.476 1.00 0.00 C ATOM 588 CG GLN A 35 11.288 5.080 7.749 1.00 0.00 C ATOM 589 CD GLN A 35 11.329 6.410 8.474 1.00 0.00 C ATOM 590 OE1 GLN A 35 11.067 7.459 7.885 1.00 0.00 O ATOM 591 NE2 GLN A 35 11.660 6.374 9.759 1.00 0.00 N ATOM 0 H GLN A 35 10.889 3.006 5.759 1.00 0.00 H new ATOM 0 HA GLN A 35 9.905 2.723 8.504 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.550 4.984 6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.202 5.037 8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.810 4.330 8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.826 5.168 6.805 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.869 5.482 10.207 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.705 7.238 10.298 1.00 0.00 H new ATOM 600 N LEU A 36 8.120 2.413 5.803 1.00 0.00 N ATOM 601 CA LEU A 36 6.820 2.005 5.287 1.00 0.00 C ATOM 602 C LEU A 36 6.522 0.559 5.675 1.00 0.00 C ATOM 603 O LEU A 36 7.370 -0.127 6.246 1.00 0.00 O ATOM 604 CB LEU A 36 6.775 2.156 3.763 1.00 0.00 C ATOM 605 CG LEU A 36 5.835 3.239 3.245 1.00 0.00 C ATOM 606 CD1 LEU A 36 6.064 4.522 4.007 1.00 0.00 C ATOM 607 CD2 LEU A 36 6.032 3.451 1.751 1.00 0.00 C ATOM 0 H LEU A 36 8.857 2.460 5.100 1.00 0.00 H new ATOM 0 HA LEU A 36 6.061 2.652 5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.782 2.370 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.478 1.202 3.328 1.00 0.00 H new ATOM 0 HG LEU A 36 4.805 2.919 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.390 5.293 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.872 4.355 5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.096 4.846 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.352 4.228 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.061 3.756 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.825 2.521 1.221 1.00 0.00 H new ATOM 619 N PRO A 37 5.310 0.074 5.365 1.00 0.00 N ATOM 620 CA PRO A 37 4.900 -1.291 5.678 1.00 0.00 C ATOM 621 C PRO A 37 5.332 -2.284 4.605 1.00 0.00 C ATOM 622 O PRO A 37 5.274 -1.987 3.412 1.00 0.00 O ATOM 623 CB PRO A 37 3.381 -1.173 5.717 1.00 0.00 C ATOM 624 CG PRO A 37 3.068 -0.134 4.696 1.00 0.00 C ATOM 625 CD PRO A 37 4.236 0.821 4.683 1.00 0.00 C ATOM 0 HA PRO A 37 5.346 -1.664 6.600 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.902 -2.122 5.479 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.030 -0.878 6.706 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.926 -0.586 3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.144 0.387 4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.520 1.091 3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.000 1.748 5.205 1.00 0.00 H new ATOM 633 N LYS A 38 5.769 -3.463 5.035 1.00 0.00 N ATOM 634 CA LYS A 38 6.205 -4.496 4.104 1.00 0.00 C ATOM 635 C LYS A 38 5.350 -5.746 4.239 1.00 0.00 C ATOM 636 O LYS A 38 5.235 -6.318 5.323 1.00 0.00 O ATOM 637 CB LYS A 38 7.676 -4.844 4.343 1.00 0.00 C ATOM 638 CG LYS A 38 8.545 -3.638 4.657 1.00 0.00 C ATOM 639 CD LYS A 38 8.961 -2.910 3.389 1.00 0.00 C ATOM 640 CE LYS A 38 10.445 -3.081 3.108 1.00 0.00 C ATOM 641 NZ LYS A 38 11.288 -2.477 4.176 1.00 0.00 N ATOM 0 H LYS A 38 5.830 -3.726 6.019 1.00 0.00 H new ATOM 0 HA LYS A 38 6.091 -4.106 3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.743 -5.554 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.070 -5.345 3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.000 -2.955 5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.433 -3.959 5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.384 -3.289 2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.728 -1.850 3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.677 -4.142 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.688 -2.621 2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.187 -2.153 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.788 -1.668 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.479 -3.187 4.911 1.00 0.00 H new ATOM 655 N ILE A 39 4.761 -6.173 3.129 1.00 0.00 N ATOM 656 CA ILE A 39 3.934 -7.365 3.121 1.00 0.00 C ATOM 657 C ILE A 39 4.659 -8.517 2.442 1.00 0.00 C ATOM 658 O ILE A 39 5.194 -8.370 1.344 1.00 0.00 O ATOM 659 CB ILE A 39 2.585 -7.116 2.443 1.00 0.00 C ATOM 660 CG1 ILE A 39 1.989 -5.795 2.929 1.00 0.00 C ATOM 661 CG2 ILE A 39 1.637 -8.265 2.735 1.00 0.00 C ATOM 662 CD1 ILE A 39 1.960 -5.669 4.437 1.00 0.00 C ATOM 0 H ILE A 39 4.843 -5.709 2.224 1.00 0.00 H new ATOM 0 HA ILE A 39 3.740 -7.632 4.160 1.00 0.00 H new ATOM 0 HB ILE A 39 2.735 -7.053 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.567 -4.969 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.974 -5.699 2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.679 -8.079 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.063 -9.194 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.487 -8.348 3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.525 -4.708 4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.358 -6.474 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.976 -5.733 4.827 1.00 0.00 H new ATOM 674 N LYS A 40 4.715 -9.647 3.130 1.00 0.00 N ATOM 675 CA LYS A 40 5.424 -10.816 2.632 1.00 0.00 C ATOM 676 C LYS A 40 4.831 -11.330 1.331 1.00 0.00 C ATOM 677 O LYS A 40 3.656 -11.113 1.041 1.00 0.00 O ATOM 678 CB LYS A 40 5.398 -11.922 3.682 1.00 0.00 C ATOM 679 CG LYS A 40 5.929 -11.474 5.030 1.00 0.00 C ATOM 680 CD LYS A 40 7.448 -11.540 5.072 1.00 0.00 C ATOM 681 CE LYS A 40 7.932 -12.683 5.950 1.00 0.00 C ATOM 682 NZ LYS A 40 8.183 -12.243 7.351 1.00 0.00 N ATOM 0 H LYS A 40 4.275 -9.780 4.041 1.00 0.00 H new ATOM 0 HA LYS A 40 6.453 -10.517 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.375 -12.278 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.990 -12.766 3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.601 -10.454 5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.513 -12.105 5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.836 -11.667 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.844 -10.597 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.190 -13.481 5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.848 -13.099 5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.511 -13.052 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.910 -11.499 7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.303 -11.870 7.761 1.00 0.00 H new ATOM 696 N THR A 41 5.651 -12.027 0.554 1.00 0.00 N ATOM 697 CA THR A 41 5.197 -12.604 -0.700 1.00 0.00 C ATOM 698 C THR A 41 4.129 -13.665 -0.438 1.00 0.00 C ATOM 699 O THR A 41 3.299 -13.951 -1.301 1.00 0.00 O ATOM 700 CB THR A 41 6.375 -13.199 -1.471 1.00 0.00 C ATOM 701 OG1 THR A 41 7.070 -14.145 -0.676 1.00 0.00 O ATOM 702 CG2 THR A 41 7.372 -12.157 -1.929 1.00 0.00 C ATOM 0 H THR A 41 6.632 -12.205 0.772 1.00 0.00 H new ATOM 0 HA THR A 41 4.756 -11.815 -1.309 1.00 0.00 H new ATOM 0 HB THR A 41 5.939 -13.673 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.035 -14.009 -0.775 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.184 -12.643 -2.470 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.876 -11.442 -2.585 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.776 -11.634 -1.062 1.00 0.00 H new ATOM 710 N THR A 42 4.136 -14.223 0.772 1.00 0.00 N ATOM 711 CA THR A 42 3.128 -15.198 1.169 1.00 0.00 C ATOM 712 C THR A 42 1.791 -14.496 1.379 1.00 0.00 C ATOM 713 O THR A 42 0.726 -15.070 1.147 1.00 0.00 O ATOM 714 CB THR A 42 3.551 -15.917 2.451 1.00 0.00 C ATOM 715 OG1 THR A 42 4.468 -15.127 3.188 1.00 0.00 O ATOM 716 CG2 THR A 42 4.199 -17.261 2.200 1.00 0.00 C ATOM 0 H THR A 42 4.829 -14.015 1.492 1.00 0.00 H new ATOM 0 HA THR A 42 3.025 -15.940 0.377 1.00 0.00 H new ATOM 0 HB THR A 42 2.629 -16.078 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.726 -15.602 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.474 -17.716 3.152 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.498 -17.911 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.093 -17.126 1.591 1.00 0.00 H new ATOM 724 N ASP A 43 1.867 -13.231 1.782 1.00 0.00 N ATOM 725 CA ASP A 43 0.683 -12.407 1.993 1.00 0.00 C ATOM 726 C ASP A 43 0.033 -12.052 0.661 1.00 0.00 C ATOM 727 O ASP A 43 0.678 -12.098 -0.387 1.00 0.00 O ATOM 728 CB ASP A 43 1.046 -11.129 2.754 1.00 0.00 C ATOM 729 CG ASP A 43 1.082 -11.338 4.255 1.00 0.00 C ATOM 730 OD1 ASP A 43 0.263 -12.132 4.763 1.00 0.00 O ATOM 731 OD2 ASP A 43 1.931 -10.710 4.921 1.00 0.00 O ATOM 0 H ASP A 43 2.747 -12.751 1.971 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.028 -12.980 2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.019 -10.773 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.322 -10.350 2.516 1.00 0.00 H new ATOM 736 N PRO A 44 -1.280 -11.773 0.675 1.00 0.00 N ATOM 737 CA PRO A 44 -2.032 -11.414 -0.533 1.00 0.00 C ATOM 738 C PRO A 44 -1.340 -10.335 -1.354 1.00 0.00 C ATOM 739 O PRO A 44 -1.585 -10.206 -2.554 1.00 0.00 O ATOM 740 CB PRO A 44 -3.378 -10.906 0.003 1.00 0.00 C ATOM 741 CG PRO A 44 -3.177 -10.709 1.468 1.00 0.00 C ATOM 742 CD PRO A 44 -2.115 -11.687 1.878 1.00 0.00 C ATOM 0 HA PRO A 44 -2.128 -12.263 -1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.666 -9.973 -0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.174 -11.625 -0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.869 -9.686 1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.103 -10.887 2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.549 -11.334 2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.537 -12.655 2.149 1.00 0.00 H new ATOM 750 N VAL A 45 -0.424 -9.605 -0.727 1.00 0.00 N ATOM 751 CA VAL A 45 0.303 -8.552 -1.415 1.00 0.00 C ATOM 752 C VAL A 45 0.910 -9.075 -2.715 1.00 0.00 C ATOM 753 O VAL A 45 0.809 -8.437 -3.763 1.00 0.00 O ATOM 754 CB VAL A 45 1.427 -7.970 -0.526 1.00 0.00 C ATOM 755 CG1 VAL A 45 2.556 -8.980 -0.349 1.00 0.00 C ATOM 756 CG2 VAL A 45 1.952 -6.668 -1.115 1.00 0.00 C ATOM 0 H VAL A 45 -0.170 -9.725 0.254 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.412 -7.760 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 45 1.010 -7.757 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.335 -8.549 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.167 -9.882 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.974 -9.232 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.742 -6.272 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.350 -6.854 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.140 -5.944 -1.178 1.00 0.00 H new ATOM 766 N ALA A 46 1.540 -10.243 -2.634 1.00 0.00 N ATOM 767 CA ALA A 46 2.142 -10.868 -3.803 1.00 0.00 C ATOM 768 C ALA A 46 1.064 -11.385 -4.742 1.00 0.00 C ATOM 769 O ALA A 46 1.085 -11.109 -5.941 1.00 0.00 O ATOM 770 CB ALA A 46 3.071 -11.995 -3.383 1.00 0.00 C ATOM 0 H ALA A 46 1.646 -10.775 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 46 2.729 -10.119 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.513 -12.452 -4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.862 -11.597 -2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.506 -12.746 -2.831 1.00 0.00 H new ATOM 776 N LYS A 47 0.105 -12.121 -4.184 1.00 0.00 N ATOM 777 CA LYS A 47 -1.006 -12.642 -4.968 1.00 0.00 C ATOM 778 C LYS A 47 -1.663 -11.513 -5.750 1.00 0.00 C ATOM 779 O LYS A 47 -2.135 -11.708 -6.870 1.00 0.00 O ATOM 780 CB LYS A 47 -2.030 -13.326 -4.061 1.00 0.00 C ATOM 781 CG LYS A 47 -1.580 -14.690 -3.562 1.00 0.00 C ATOM 782 CD LYS A 47 -2.683 -15.399 -2.795 1.00 0.00 C ATOM 783 CE LYS A 47 -2.522 -15.219 -1.294 1.00 0.00 C ATOM 784 NZ LYS A 47 -2.430 -16.525 -0.585 1.00 0.00 N ATOM 0 H LYS A 47 0.077 -12.368 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.622 -13.383 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.232 -12.683 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.968 -13.438 -4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.273 -15.304 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.707 -14.573 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.652 -15.011 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.672 -16.461 -3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.625 -14.633 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.367 -14.653 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.321 -16.359 0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.296 -17.075 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.608 -17.055 -0.939 1.00 0.00 H new ATOM 798 N ALA A 48 -1.659 -10.324 -5.157 1.00 0.00 N ATOM 799 CA ALA A 48 -2.202 -9.146 -5.807 1.00 0.00 C ATOM 800 C ALA A 48 -1.214 -8.616 -6.836 1.00 0.00 C ATOM 801 O ALA A 48 -0.002 -8.647 -6.621 1.00 0.00 O ATOM 802 CB ALA A 48 -2.534 -8.074 -4.783 1.00 0.00 C ATOM 0 H ALA A 48 -1.283 -10.155 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.124 -9.423 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.940 -7.199 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.271 -8.459 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.629 -7.793 -4.244 1.00 0.00 H new ATOM 808 N ILE A 49 -1.735 -8.160 -7.966 1.00 0.00 N ATOM 809 CA ILE A 49 -0.903 -7.647 -9.054 1.00 0.00 C ATOM 810 C ILE A 49 0.312 -8.543 -9.307 1.00 0.00 C ATOM 811 O ILE A 49 1.345 -8.081 -9.785 1.00 0.00 O ATOM 812 CB ILE A 49 -0.426 -6.200 -8.789 1.00 0.00 C ATOM 813 CG1 ILE A 49 0.552 -6.146 -7.600 1.00 0.00 C ATOM 814 CG2 ILE A 49 -1.623 -5.280 -8.569 1.00 0.00 C ATOM 815 CD1 ILE A 49 -0.104 -6.002 -6.239 1.00 0.00 C ATOM 0 H ILE A 49 -2.737 -8.133 -8.157 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.535 -7.647 -9.942 1.00 0.00 H new ATOM 0 HB ILE A 49 0.115 -5.849 -9.668 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.155 -7.054 -7.602 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.235 -5.310 -7.748 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.272 -4.265 -8.384 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.257 -5.289 -9.456 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.197 -5.628 -7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.664 -5.973 -5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.683 -5.079 -6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.765 -6.851 -6.062 1.00 0.00 H new ATOM 827 N GLY A 50 0.181 -9.829 -8.981 1.00 0.00 N ATOM 828 CA GLY A 50 1.268 -10.774 -9.193 1.00 0.00 C ATOM 829 C GLY A 50 2.633 -10.217 -8.822 1.00 0.00 C ATOM 830 O GLY A 50 3.613 -10.442 -9.533 1.00 0.00 O ATOM 0 H GLY A 50 -0.661 -10.234 -8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.078 -11.672 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.279 -11.075 -10.241 1.00 0.00 H new ATOM 834 N ALA A 51 2.700 -9.493 -7.708 1.00 0.00 N ATOM 835 CA ALA A 51 3.961 -8.910 -7.257 1.00 0.00 C ATOM 836 C ALA A 51 4.995 -9.988 -6.977 1.00 0.00 C ATOM 837 O ALA A 51 4.656 -11.150 -6.757 1.00 0.00 O ATOM 838 CB ALA A 51 3.753 -8.056 -6.014 1.00 0.00 C ATOM 0 H ALA A 51 1.902 -9.297 -7.104 1.00 0.00 H new ATOM 0 HA ALA A 51 4.332 -8.274 -8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.707 -7.634 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.056 -7.249 -6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.347 -8.673 -5.212 1.00 0.00 H new ATOM 844 N LYS A 52 6.260 -9.588 -6.972 1.00 0.00 N ATOM 845 CA LYS A 52 7.348 -10.514 -6.704 1.00 0.00 C ATOM 846 C LYS A 52 8.246 -9.988 -5.592 1.00 0.00 C ATOM 847 O LYS A 52 8.212 -8.804 -5.258 1.00 0.00 O ATOM 848 CB LYS A 52 8.161 -10.770 -7.976 1.00 0.00 C ATOM 849 CG LYS A 52 9.140 -9.660 -8.329 1.00 0.00 C ATOM 850 CD LYS A 52 10.126 -10.110 -9.393 1.00 0.00 C ATOM 851 CE LYS A 52 10.248 -9.086 -10.509 1.00 0.00 C ATOM 852 NZ LYS A 52 10.802 -9.684 -11.755 1.00 0.00 N ATOM 0 H LYS A 52 6.556 -8.628 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 52 6.917 -11.459 -6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.714 -11.702 -7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.474 -10.911 -8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.591 -8.788 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.682 -9.353 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.103 -10.273 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.804 -11.065 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.268 -8.658 -10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.890 -8.268 -10.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.869 -8.952 -12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.748 -10.070 -11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.176 -10.448 -12.082 1.00 0.00 H new ATOM 866 N ARG A 53 9.033 -10.881 -5.010 1.00 0.00 N ATOM 867 CA ARG A 53 9.942 -10.509 -3.936 1.00 0.00 C ATOM 868 C ARG A 53 10.855 -9.368 -4.371 1.00 0.00 C ATOM 869 O ARG A 53 11.865 -9.587 -5.039 1.00 0.00 O ATOM 870 CB ARG A 53 10.778 -11.716 -3.506 1.00 0.00 C ATOM 871 CG ARG A 53 11.105 -11.732 -2.022 1.00 0.00 C ATOM 872 CD ARG A 53 12.127 -10.665 -1.667 1.00 0.00 C ATOM 873 NE ARG A 53 13.410 -11.241 -1.274 1.00 0.00 N ATOM 874 CZ ARG A 53 14.510 -10.521 -1.081 1.00 0.00 C ATOM 875 NH1 ARG A 53 14.481 -9.205 -1.242 1.00 0.00 N ATOM 876 NH2 ARG A 53 15.641 -11.115 -0.726 1.00 0.00 N ATOM 0 H ARG A 53 9.060 -11.869 -5.264 1.00 0.00 H new ATOM 0 HA ARG A 53 9.347 -10.171 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.240 -12.629 -3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.708 -11.724 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.194 -11.571 -1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.490 -12.713 -1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.273 -10.005 -2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.741 -10.051 -0.853 1.00 0.00 H new ATOM 0 HE ARG A 53 13.465 -12.251 -1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.613 -8.744 -1.514 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.327 -8.654 -1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.668 -12.127 -0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.484 -10.560 -0.578 1.00 0.00 H new ATOM 890 N GLY A 54 10.489 -8.149 -3.990 1.00 0.00 N ATOM 891 CA GLY A 54 11.286 -6.990 -4.346 1.00 0.00 C ATOM 892 C GLY A 54 10.525 -5.993 -5.198 1.00 0.00 C ATOM 893 O GLY A 54 11.126 -5.127 -5.834 1.00 0.00 O ATOM 0 H GLY A 54 9.654 -7.943 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.628 -6.497 -3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.175 -7.318 -4.885 1.00 0.00 H new ATOM 897 N ASP A 55 9.200 -6.107 -5.209 1.00 0.00 N ATOM 898 CA ASP A 55 8.363 -5.204 -5.987 1.00 0.00 C ATOM 899 C ASP A 55 7.527 -4.317 -5.072 1.00 0.00 C ATOM 900 O ASP A 55 6.819 -4.810 -4.195 1.00 0.00 O ATOM 901 CB ASP A 55 7.443 -6.002 -6.915 1.00 0.00 C ATOM 902 CG ASP A 55 7.804 -5.827 -8.377 1.00 0.00 C ATOM 903 OD1 ASP A 55 8.125 -4.688 -8.777 1.00 0.00 O ATOM 904 OD2 ASP A 55 7.764 -6.828 -9.123 1.00 0.00 O ATOM 0 H ASP A 55 8.685 -6.816 -4.688 1.00 0.00 H new ATOM 0 HA ASP A 55 9.015 -4.569 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.497 -7.059 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.411 -5.687 -6.758 1.00 0.00 H new ATOM 909 N ILE A 56 7.588 -3.007 -5.297 1.00 0.00 N ATOM 910 CA ILE A 56 6.817 -2.068 -4.496 1.00 0.00 C ATOM 911 C ILE A 56 5.509 -1.716 -5.199 1.00 0.00 C ATOM 912 O ILE A 56 5.466 -1.577 -6.421 1.00 0.00 O ATOM 913 CB ILE A 56 7.617 -0.782 -4.188 1.00 0.00 C ATOM 914 CG1 ILE A 56 8.810 -1.120 -3.296 1.00 0.00 C ATOM 915 CG2 ILE A 56 6.734 0.265 -3.515 1.00 0.00 C ATOM 916 CD1 ILE A 56 10.145 -0.997 -3.997 1.00 0.00 C ATOM 0 H ILE A 56 8.160 -2.576 -6.023 1.00 0.00 H new ATOM 0 HA ILE A 56 6.595 -2.556 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 56 7.976 -0.364 -5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.803 -0.460 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.697 -2.138 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.322 1.159 -3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.905 0.520 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.344 -0.135 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.945 -1.252 -3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.173 -1.677 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.280 0.027 -4.346 1.00 0.00 H new ATOM 928 N VAL A 57 4.443 -1.589 -4.416 1.00 0.00 N ATOM 929 CA VAL A 57 3.130 -1.285 -4.962 1.00 0.00 C ATOM 930 C VAL A 57 2.711 0.148 -4.670 1.00 0.00 C ATOM 931 O VAL A 57 2.950 0.666 -3.580 1.00 0.00 O ATOM 932 CB VAL A 57 2.053 -2.227 -4.400 1.00 0.00 C ATOM 933 CG1 VAL A 57 0.782 -2.126 -5.227 1.00 0.00 C ATOM 934 CG2 VAL A 57 2.563 -3.658 -4.349 1.00 0.00 C ATOM 0 H VAL A 57 4.465 -1.692 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 57 3.214 -1.424 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 57 1.820 -1.922 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.028 -2.798 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.410 -1.102 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.996 -2.405 -6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.785 -4.308 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.827 -3.986 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.443 -3.708 -3.708 1.00 0.00 H new ATOM 944 N LYS A 58 2.062 0.775 -5.643 1.00 0.00 N ATOM 945 CA LYS A 58 1.569 2.133 -5.475 1.00 0.00 C ATOM 946 C LYS A 58 0.051 2.115 -5.292 1.00 0.00 C ATOM 947 O LYS A 58 -0.695 1.743 -6.198 1.00 0.00 O ATOM 948 CB LYS A 58 2.011 3.001 -6.678 1.00 0.00 C ATOM 949 CG LYS A 58 0.933 3.866 -7.328 1.00 0.00 C ATOM 950 CD LYS A 58 0.491 5.007 -6.427 1.00 0.00 C ATOM 951 CE LYS A 58 1.373 6.235 -6.597 1.00 0.00 C ATOM 952 NZ LYS A 58 0.659 7.336 -7.301 1.00 0.00 N ATOM 0 H LYS A 58 1.866 0.364 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 58 1.997 2.580 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.819 3.654 -6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.425 2.341 -7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.312 4.272 -8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.071 3.245 -7.574 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.543 5.268 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.518 4.681 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.703 6.583 -5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.268 5.965 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.350 8.029 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.122 6.946 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.005 7.803 -6.641 1.00 0.00 H new ATOM 966 N ILE A 59 -0.390 2.518 -4.110 1.00 0.00 N ATOM 967 CA ILE A 59 -1.809 2.571 -3.796 1.00 0.00 C ATOM 968 C ILE A 59 -2.233 4.004 -3.523 1.00 0.00 C ATOM 969 O ILE A 59 -1.549 4.729 -2.806 1.00 0.00 O ATOM 970 CB ILE A 59 -2.150 1.706 -2.568 1.00 0.00 C ATOM 971 CG1 ILE A 59 -1.648 0.275 -2.768 1.00 0.00 C ATOM 972 CG2 ILE A 59 -3.649 1.718 -2.311 1.00 0.00 C ATOM 973 CD1 ILE A 59 -0.211 0.074 -2.342 1.00 0.00 C ATOM 0 H ILE A 59 0.220 2.815 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.348 2.180 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.649 2.127 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.284 -0.407 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.747 0.007 -3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.874 1.102 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.978 2.741 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.171 1.320 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.077 -0.963 -2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.436 0.730 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.109 0.310 -1.283 1.00 0.00 H new ATOM 985 N ILE A 60 -3.352 4.416 -4.103 1.00 0.00 N ATOM 986 CA ILE A 60 -3.844 5.772 -3.909 1.00 0.00 C ATOM 987 C ILE A 60 -5.240 5.767 -3.298 1.00 0.00 C ATOM 988 O ILE A 60 -6.098 4.974 -3.687 1.00 0.00 O ATOM 989 CB ILE A 60 -3.872 6.560 -5.230 1.00 0.00 C ATOM 990 CG1 ILE A 60 -2.575 6.326 -6.007 1.00 0.00 C ATOM 991 CG2 ILE A 60 -4.079 8.042 -4.957 1.00 0.00 C ATOM 992 CD1 ILE A 60 -2.798 5.790 -7.404 1.00 0.00 C ATOM 0 H ILE A 60 -3.933 3.835 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.153 6.262 -3.224 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.706 6.207 -5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.024 7.264 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.950 5.626 -5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.097 8.587 -5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.026 8.187 -4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.263 8.415 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.836 5.648 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.322 4.836 -7.348 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.397 6.500 -7.975 1.00 0.00 H new ATOM 1149 N VAL A 70 -1.567 8.361 -0.691 1.00 0.00 N ATOM 1150 CA VAL A 70 -0.822 7.261 -1.291 1.00 0.00 C ATOM 1151 C VAL A 70 0.092 6.564 -0.283 1.00 0.00 C ATOM 1152 O VAL A 70 0.751 7.211 0.530 1.00 0.00 O ATOM 1153 CB VAL A 70 0.019 7.741 -2.492 1.00 0.00 C ATOM 1154 CG1 VAL A 70 0.786 6.582 -3.113 1.00 0.00 C ATOM 1155 CG2 VAL A 70 -0.867 8.412 -3.530 1.00 0.00 C ATOM 0 HA VAL A 70 -1.566 6.543 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 70 0.742 8.472 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.372 6.944 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.453 6.147 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.083 5.824 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.256 8.744 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.615 7.702 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.366 9.271 -3.082 1.00 0.00 H new ATOM 1165 N THR A 71 0.127 5.235 -0.362 1.00 0.00 N ATOM 1166 CA THR A 71 0.975 4.424 0.507 1.00 0.00 C ATOM 1167 C THR A 71 1.626 3.300 -0.296 1.00 0.00 C ATOM 1168 O THR A 71 0.950 2.596 -1.046 1.00 0.00 O ATOM 1169 CB THR A 71 0.153 3.835 1.656 1.00 0.00 C ATOM 1170 OG1 THR A 71 0.977 3.078 2.525 1.00 0.00 O ATOM 1171 CG2 THR A 71 -0.971 2.936 1.188 1.00 0.00 C ATOM 0 H THR A 71 -0.428 4.694 -1.025 1.00 0.00 H new ATOM 0 HA THR A 71 1.754 5.061 0.924 1.00 0.00 H new ATOM 0 HB THR A 71 -0.281 4.692 2.171 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.434 2.711 3.254 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.514 2.552 2.052 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.652 3.505 0.555 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.558 2.103 0.619 1.00 0.00 H new ATOM 1179 N TYR A 72 2.940 3.145 -0.158 1.00 0.00 N ATOM 1180 CA TYR A 72 3.662 2.127 -0.916 1.00 0.00 C ATOM 1181 C TYR A 72 3.971 0.894 -0.077 1.00 0.00 C ATOM 1182 O TYR A 72 4.329 0.992 1.097 1.00 0.00 O ATOM 1183 CB TYR A 72 4.958 2.702 -1.494 1.00 0.00 C ATOM 1184 CG TYR A 72 4.755 3.518 -2.756 1.00 0.00 C ATOM 1185 CD1 TYR A 72 3.510 4.050 -3.077 1.00 0.00 C ATOM 1186 CD2 TYR A 72 5.808 3.748 -3.630 1.00 0.00 C ATOM 1187 CE1 TYR A 72 3.324 4.787 -4.229 1.00 0.00 C ATOM 1188 CE2 TYR A 72 5.630 4.490 -4.781 1.00 0.00 C ATOM 1189 CZ TYR A 72 4.386 5.002 -5.079 1.00 0.00 C ATOM 1190 OH TYR A 72 4.205 5.736 -6.228 1.00 0.00 O ATOM 0 H TYR A 72 3.522 3.705 0.465 1.00 0.00 H new ATOM 0 HA TYR A 72 3.009 1.817 -1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.435 3.328 -0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.644 1.883 -1.708 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.675 3.883 -2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.783 3.340 -3.406 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.351 5.193 -4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.463 4.668 -5.445 1.00 0.00 H new ATOM 0 HH TYR A 72 4.900 5.502 -6.878 1.00 0.00 H new ATOM 1200 N ARG A 73 3.837 -0.268 -0.707 1.00 0.00 N ATOM 1201 CA ARG A 73 4.136 -1.540 -0.063 1.00 0.00 C ATOM 1202 C ARG A 73 5.207 -2.279 -0.853 1.00 0.00 C ATOM 1203 O ARG A 73 5.072 -2.465 -2.059 1.00 0.00 O ATOM 1204 CB ARG A 73 2.877 -2.406 0.022 1.00 0.00 C ATOM 1205 CG ARG A 73 1.656 -1.661 0.533 1.00 0.00 C ATOM 1206 CD ARG A 73 1.441 -1.897 2.018 1.00 0.00 C ATOM 1207 NE ARG A 73 0.149 -2.519 2.295 1.00 0.00 N ATOM 1208 CZ ARG A 73 -0.369 -2.627 3.514 1.00 0.00 C ATOM 1209 NH1 ARG A 73 0.294 -2.156 4.562 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -1.549 -3.205 3.685 1.00 0.00 N ATOM 0 H ARG A 73 3.520 -0.354 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 73 4.497 -1.342 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.658 -2.810 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.074 -3.255 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.775 -0.594 0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.774 -1.984 -0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.239 -2.533 2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.507 -0.947 2.549 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.385 -2.891 1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.202 -1.710 4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.105 -2.239 5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.061 -3.568 2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.946 -3.287 4.621 1.00 0.00 H new ATOM 1224 N LEU A 74 6.253 -2.725 -0.167 1.00 0.00 N ATOM 1225 CA LEU A 74 7.348 -3.436 -0.819 1.00 0.00 C ATOM 1226 C LEU A 74 7.272 -4.932 -0.527 1.00 0.00 C ATOM 1227 O LEU A 74 7.349 -5.353 0.628 1.00 0.00 O ATOM 1228 CB LEU A 74 8.696 -2.871 -0.340 1.00 0.00 C ATOM 1229 CG LEU A 74 9.952 -3.255 -1.150 1.00 0.00 C ATOM 1230 CD1 LEU A 74 11.127 -3.471 -0.210 1.00 0.00 C ATOM 1231 CD2 LEU A 74 9.729 -4.494 -2.012 1.00 0.00 C ATOM 0 H LEU A 74 6.367 -2.607 0.840 1.00 0.00 H new ATOM 0 HA LEU A 74 7.261 -3.293 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.621 -1.784 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.849 -3.191 0.691 1.00 0.00 H new ATOM 0 HG LEU A 74 10.171 -2.429 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.010 -3.742 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.323 -2.553 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.891 -4.273 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.641 -4.723 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.468 -5.339 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.918 -4.306 -2.716 1.00 0.00 H new ATOM 1243 N VAL A 75 7.122 -5.731 -1.580 1.00 0.00 N ATOM 1244 CA VAL A 75 7.042 -7.179 -1.430 1.00 0.00 C ATOM 1245 C VAL A 75 8.389 -7.752 -0.996 1.00 0.00 C ATOM 1246 O VAL A 75 9.381 -7.658 -1.719 1.00 0.00 O ATOM 1247 CB VAL A 75 6.581 -7.861 -2.737 1.00 0.00 C ATOM 1248 CG1 VAL A 75 6.583 -9.377 -2.598 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.199 -7.371 -3.126 1.00 0.00 C ATOM 0 H VAL A 75 7.054 -5.401 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 75 6.300 -7.384 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 75 7.287 -7.594 -3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.254 -9.829 -3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.591 -9.720 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.905 -9.670 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.886 -7.860 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.492 -7.609 -2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.225 -6.292 -3.278 1.00 0.00 H new ATOM 1259 N GLN A 76 8.409 -8.343 0.193 1.00 0.00 N ATOM 1260 CA GLN A 76 9.627 -8.927 0.747 1.00 0.00 C ATOM 1261 C GLN A 76 9.408 -10.394 1.102 1.00 0.00 C ATOM 1262 O GLN A 76 8.283 -10.816 1.356 1.00 0.00 O ATOM 1263 CB GLN A 76 10.062 -8.151 1.994 1.00 0.00 C ATOM 1264 CG GLN A 76 11.542 -8.287 2.315 1.00 0.00 C ATOM 1265 CD GLN A 76 12.382 -7.202 1.670 1.00 0.00 C ATOM 1266 OE1 GLN A 76 12.154 -6.012 1.888 1.00 0.00 O ATOM 1267 NE2 GLN A 76 13.363 -7.608 0.873 1.00 0.00 N ATOM 0 H GLN A 76 7.591 -8.431 0.796 1.00 0.00 H new ATOM 0 HA GLN A 76 10.411 -8.865 -0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.825 -7.096 1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.481 -8.499 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.680 -8.253 3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.895 -9.262 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.517 -8.605 0.720 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.963 -6.923 0.413 1.00 0.00 H new ATOM 1276 N ASP A 77 10.486 -11.169 1.120 1.00 0.00 N ATOM 1277 CA ASP A 77 10.394 -12.583 1.454 1.00 0.00 C ATOM 1278 C ASP A 77 10.525 -12.796 2.959 1.00 0.00 C ATOM 1279 O ASP A 77 10.807 -11.810 3.672 1.00 0.00 O ATOM 1280 CB ASP A 77 11.477 -13.379 0.721 1.00 0.00 C ATOM 1281 CG ASP A 77 10.903 -14.474 -0.159 1.00 0.00 C ATOM 1282 OD1 ASP A 77 9.667 -14.516 -0.329 1.00 0.00 O ATOM 1283 OD2 ASP A 77 11.692 -15.291 -0.679 1.00 0.00 O ATOM 1284 OXT ASP A 77 10.343 -13.946 3.411 1.00 0.00 O ATOM 0 H ASP A 77 11.429 -10.843 0.908 1.00 0.00 H new ATOM 0 HA ASP A 77 9.414 -12.940 1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.070 -12.700 0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.154 -13.823 1.452 1.00 0.00 H new