USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 513 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 CYS SG : rot -162:sc= 0.762 USER MOD Set 1.2: A 67 CYS SG : rot -47:sc= 0.538 USER MOD Set 1.3: A 72 CYS SG : rot 105:sc= 0.802 USER MOD Set 1.4: A 76 HIS : no HE2:sc= -6.73! C(o=-4.6!,f=-8.1!) USER MOD Set 2.1: A 23 CYS SG : rot 125:sc= 0.419 USER MOD Set 2.2: A 31 CYS SG : rot 129:sc= -0.385 USER MOD Set 2.3: A 38 CYS SG : rot -110:sc= 0.27 USER MOD Set 2.4: A 42 HIS : no HD1:sc= -4.2! K(o=-3.9!,f=-3.2) USER MOD Single : A 17 THR OG1 : rot -49:sc= 0.51 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.3!) USER MOD Single : A 30 ASN : amide:sc= -1.78! C(o=-1.8!,f=-3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -2.63 K(o=-2.6,f=-4.3!) USER MOD Single : A 55 THR OG1 : rot -44:sc= -0.0718 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -159:sc= -0.0462 (180deg=-0.447) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0403 USER MOD Single : A 80 HIS : no HD1:sc= -13.3! C(o=-13!,f=-12!) USER MOD Single : A 82 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.46) USER MOD Single : A 84 LYS NZ :NH3+ -143:sc= 0.0992 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= -0.739 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 216 N THR A 17 -6.500 7.798 -9.919 1.00 0.00 N ATOM 217 CA THR A 17 -5.231 7.193 -9.536 1.00 0.00 C ATOM 218 C THR A 17 -5.397 5.707 -9.243 1.00 0.00 C ATOM 219 O THR A 17 -4.743 5.163 -8.352 1.00 0.00 O ATOM 220 CB THR A 17 -4.629 7.885 -8.299 1.00 0.00 C ATOM 221 OG1 THR A 17 -3.280 7.446 -8.099 1.00 0.00 O ATOM 222 CG2 THR A 17 -5.454 7.586 -7.056 1.00 0.00 C ATOM 0 HA THR A 17 -4.553 7.320 -10.380 1.00 0.00 H new ATOM 0 HB THR A 17 -4.639 8.961 -8.472 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.245 6.467 -8.138 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.009 8.085 -6.195 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.472 7.948 -7.199 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.472 6.510 -6.882 1.00 0.00 H new ATOM 230 N ASP A 18 -6.275 5.054 -9.996 1.00 0.00 N ATOM 231 CA ASP A 18 -6.526 3.629 -9.817 1.00 0.00 C ATOM 232 C ASP A 18 -5.433 2.797 -10.483 1.00 0.00 C ATOM 233 O ASP A 18 -5.713 1.787 -11.129 1.00 0.00 O ATOM 234 CB ASP A 18 -7.892 3.253 -10.393 1.00 0.00 C ATOM 235 CG ASP A 18 -7.839 2.988 -11.885 1.00 0.00 C ATOM 236 OD1 ASP A 18 -7.629 3.951 -12.651 1.00 0.00 O ATOM 237 OD2 ASP A 18 -8.008 1.818 -12.287 1.00 0.00 O ATOM 0 H ASP A 18 -6.825 5.489 -10.737 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.520 3.416 -8.748 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.266 2.366 -9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.600 4.057 -10.195 1.00 0.00 H new ATOM 242 N LYS A 19 -4.187 3.229 -10.322 1.00 0.00 N ATOM 243 CA LYS A 19 -3.052 2.525 -10.906 1.00 0.00 C ATOM 244 C LYS A 19 -1.906 2.415 -9.905 1.00 0.00 C ATOM 245 O LYS A 19 -1.549 3.392 -9.245 1.00 0.00 O ATOM 246 CB LYS A 19 -2.573 3.247 -12.168 1.00 0.00 C ATOM 247 CG LYS A 19 -2.331 4.733 -11.964 1.00 0.00 C ATOM 248 CD LYS A 19 -0.886 5.017 -11.591 1.00 0.00 C ATOM 249 CE LYS A 19 -0.431 6.371 -12.113 1.00 0.00 C ATOM 250 NZ LYS A 19 -0.783 7.474 -11.177 1.00 0.00 N ATOM 0 H LYS A 19 -3.938 4.064 -9.792 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.377 1.519 -11.171 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.650 2.781 -12.515 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.314 3.113 -12.956 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.585 5.272 -12.877 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.990 5.105 -11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.777 4.989 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.244 4.235 -11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.648 6.357 -12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.890 6.559 -13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.456 8.380 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.815 7.505 -11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.325 7.309 -10.258 1.00 0.00 H new ATOM 264 N LEU A 20 -1.334 1.221 -9.798 1.00 0.00 N ATOM 265 CA LEU A 20 -0.227 0.983 -8.878 1.00 0.00 C ATOM 266 C LEU A 20 1.032 0.574 -9.635 1.00 0.00 C ATOM 267 O LEU A 20 1.016 -0.376 -10.417 1.00 0.00 O ATOM 268 CB LEU A 20 -0.603 -0.100 -7.866 1.00 0.00 C ATOM 269 CG LEU A 20 -1.268 0.386 -6.578 1.00 0.00 C ATOM 270 CD1 LEU A 20 -2.213 -0.674 -6.033 1.00 0.00 C ATOM 271 CD2 LEU A 20 -0.217 0.751 -5.539 1.00 0.00 C ATOM 0 H LEU A 20 -1.618 0.403 -10.337 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.022 1.912 -8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.274 -0.807 -8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.300 -0.650 -7.600 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.849 1.279 -6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.677 -0.311 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.986 -0.887 -6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.654 -1.585 -5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.709 1.095 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.392 -0.125 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.420 1.545 -5.929 1.00 0.00 H new ATOM 283 N GLU A 21 2.123 1.295 -9.394 1.00 0.00 N ATOM 284 CA GLU A 21 3.391 1.005 -10.053 1.00 0.00 C ATOM 285 C GLU A 21 3.898 -0.382 -9.670 1.00 0.00 C ATOM 286 O GLU A 21 3.747 -0.817 -8.528 1.00 0.00 O ATOM 287 CB GLU A 21 4.435 2.061 -9.686 1.00 0.00 C ATOM 288 CG GLU A 21 4.475 3.237 -10.648 1.00 0.00 C ATOM 289 CD GLU A 21 5.176 2.902 -11.950 1.00 0.00 C ATOM 290 OE1 GLU A 21 5.356 1.699 -12.234 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.543 3.842 -12.686 1.00 0.00 O ATOM 0 H GLU A 21 2.154 2.084 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 21 3.225 1.028 -11.130 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.228 2.431 -8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.419 1.593 -9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.457 3.562 -10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.984 4.075 -10.171 1.00 0.00 H new ATOM 298 N VAL A 22 4.499 -1.073 -10.633 1.00 0.00 N ATOM 299 CA VAL A 22 5.030 -2.411 -10.398 1.00 0.00 C ATOM 300 C VAL A 22 6.537 -2.373 -10.171 1.00 0.00 C ATOM 301 O VAL A 22 7.297 -1.956 -11.045 1.00 0.00 O ATOM 302 CB VAL A 22 4.723 -3.352 -11.578 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.586 -4.602 -11.502 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.246 -3.715 -11.599 1.00 0.00 C ATOM 0 H VAL A 22 4.631 -0.728 -11.584 1.00 0.00 H new ATOM 0 HA VAL A 22 4.541 -2.792 -9.502 1.00 0.00 H new ATOM 0 HB VAL A 22 4.959 -2.832 -12.506 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.355 -5.255 -12.344 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.638 -4.320 -11.539 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.384 -5.128 -10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.047 -4.380 -12.439 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.981 -4.217 -10.668 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.650 -2.809 -11.705 1.00 0.00 H new ATOM 314 N CYS A 23 6.963 -2.811 -8.991 1.00 0.00 N ATOM 315 CA CYS A 23 8.380 -2.827 -8.648 1.00 0.00 C ATOM 316 C CYS A 23 9.192 -3.540 -9.725 1.00 0.00 C ATOM 317 O CYS A 23 8.714 -4.484 -10.354 1.00 0.00 O ATOM 318 CB CYS A 23 8.591 -3.513 -7.296 1.00 0.00 C ATOM 319 SG CYS A 23 10.005 -2.867 -6.347 1.00 0.00 S ATOM 0 H CYS A 23 6.347 -3.160 -8.256 1.00 0.00 H new ATOM 0 HA CYS A 23 8.724 -1.795 -8.582 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.686 -3.402 -6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.735 -4.581 -7.461 1.00 0.00 H new ATOM 0 HG CYS A 23 9.602 -2.489 -5.170 1.00 0.00 H new ATOM 324 N ARG A 24 10.423 -3.082 -9.930 1.00 0.00 N ATOM 325 CA ARG A 24 11.302 -3.676 -10.931 1.00 0.00 C ATOM 326 C ARG A 24 12.168 -4.770 -10.314 1.00 0.00 C ATOM 327 O ARG A 24 12.485 -5.764 -10.965 1.00 0.00 O ATOM 328 CB ARG A 24 12.190 -2.601 -11.561 1.00 0.00 C ATOM 329 CG ARG A 24 11.410 -1.492 -12.247 1.00 0.00 C ATOM 330 CD ARG A 24 11.157 -0.325 -11.306 1.00 0.00 C ATOM 331 NE ARG A 24 12.218 0.676 -11.376 1.00 0.00 N ATOM 332 CZ ARG A 24 12.060 1.942 -11.005 1.00 0.00 C ATOM 333 NH1 ARG A 24 10.891 2.358 -10.538 1.00 0.00 N ATOM 334 NH2 ARG A 24 13.073 2.793 -11.099 1.00 0.00 N ATOM 0 H ARG A 24 10.834 -2.302 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 24 10.680 -4.124 -11.706 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.822 -2.164 -10.787 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.854 -3.070 -12.288 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.962 -1.144 -13.120 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.459 -1.884 -12.607 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.203 0.140 -11.554 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.075 -0.695 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 24 13.130 0.387 -11.729 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.110 1.706 -10.463 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.772 3.330 -10.254 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.974 2.476 -11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.951 3.765 -10.814 1.00 0.00 H new ATOM 348 N GLU A 25 12.547 -4.577 -9.054 1.00 0.00 N ATOM 349 CA GLU A 25 13.378 -5.547 -8.351 1.00 0.00 C ATOM 350 C GLU A 25 12.597 -6.827 -8.065 1.00 0.00 C ATOM 351 O GLU A 25 12.983 -7.913 -8.498 1.00 0.00 O ATOM 352 CB GLU A 25 13.898 -4.952 -7.041 1.00 0.00 C ATOM 353 CG GLU A 25 14.765 -3.719 -7.235 1.00 0.00 C ATOM 354 CD GLU A 25 15.886 -3.945 -8.231 1.00 0.00 C ATOM 355 OE1 GLU A 25 16.485 -5.040 -8.212 1.00 0.00 O ATOM 356 OE2 GLU A 25 16.163 -3.025 -9.029 1.00 0.00 O ATOM 0 H GLU A 25 12.292 -3.759 -8.500 1.00 0.00 H new ATOM 0 HA GLU A 25 14.225 -5.793 -8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.050 -4.693 -6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.473 -5.711 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.143 -2.892 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.190 -3.424 -6.276 1.00 0.00 H new ATOM 363 N PHE A 26 11.496 -6.691 -7.333 1.00 0.00 N ATOM 364 CA PHE A 26 10.661 -7.835 -6.988 1.00 0.00 C ATOM 365 C PHE A 26 10.595 -8.828 -8.145 1.00 0.00 C ATOM 366 O PHE A 26 10.763 -10.032 -7.952 1.00 0.00 O ATOM 367 CB PHE A 26 9.251 -7.371 -6.617 1.00 0.00 C ATOM 368 CG PHE A 26 8.202 -8.429 -6.809 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.888 -9.306 -5.783 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.530 -8.546 -8.015 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.924 -10.280 -5.957 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.564 -9.518 -8.195 1.00 0.00 C ATOM 373 CZ PHE A 26 6.260 -10.386 -7.164 1.00 0.00 C ATOM 0 H PHE A 26 11.162 -5.799 -6.967 1.00 0.00 H new ATOM 0 HA PHE A 26 11.109 -8.334 -6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.245 -7.050 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.993 -6.501 -7.221 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.403 -9.227 -4.837 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.764 -7.870 -8.824 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.689 -10.958 -5.150 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.048 -9.599 -9.140 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.505 -11.146 -7.301 1.00 0.00 H new ATOM 383 N GLN A 27 10.347 -8.314 -9.345 1.00 0.00 N ATOM 384 CA GLN A 27 10.256 -9.155 -10.532 1.00 0.00 C ATOM 385 C GLN A 27 11.429 -10.127 -10.601 1.00 0.00 C ATOM 386 O GLN A 27 11.245 -11.323 -10.828 1.00 0.00 O ATOM 387 CB GLN A 27 10.219 -8.291 -11.794 1.00 0.00 C ATOM 388 CG GLN A 27 8.936 -7.492 -11.946 1.00 0.00 C ATOM 389 CD GLN A 27 8.985 -6.526 -13.114 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.687 -5.515 -13.069 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.238 -6.832 -14.168 1.00 0.00 N ATOM 0 H GLN A 27 10.206 -7.319 -9.521 1.00 0.00 H new ATOM 0 HA GLN A 27 9.333 -9.731 -10.468 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.065 -7.604 -11.779 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.344 -8.932 -12.667 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.099 -8.178 -12.081 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.748 -6.936 -11.027 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.671 -7.680 -14.163 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.231 -6.219 -14.983 1.00 0.00 H new ATOM 400 N ARG A 28 12.636 -9.606 -10.405 1.00 0.00 N ATOM 401 CA ARG A 28 13.839 -10.427 -10.447 1.00 0.00 C ATOM 402 C ARG A 28 14.257 -10.851 -9.042 1.00 0.00 C ATOM 403 O ARG A 28 15.430 -11.123 -8.787 1.00 0.00 O ATOM 404 CB ARG A 28 14.981 -9.664 -11.121 1.00 0.00 C ATOM 405 CG ARG A 28 15.485 -8.482 -10.310 1.00 0.00 C ATOM 406 CD ARG A 28 16.354 -7.559 -11.151 1.00 0.00 C ATOM 407 NE ARG A 28 15.556 -6.623 -11.938 1.00 0.00 N ATOM 408 CZ ARG A 28 16.025 -5.472 -12.408 1.00 0.00 C ATOM 409 NH1 ARG A 28 17.281 -5.119 -12.173 1.00 0.00 N ATOM 410 NH2 ARG A 28 15.238 -4.673 -13.117 1.00 0.00 N ATOM 0 H ARG A 28 12.806 -8.618 -10.215 1.00 0.00 H new ATOM 0 HA ARG A 28 13.617 -11.322 -11.028 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.809 -10.350 -11.301 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.644 -9.309 -12.095 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.637 -7.924 -9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.057 -8.843 -9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.028 -7.002 -10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.976 -8.155 -11.818 1.00 0.00 H new ATOM 0 HE ARG A 28 14.586 -6.866 -12.138 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.890 -5.731 -11.630 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.639 -4.235 -12.535 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.272 -4.942 -13.302 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.599 -3.790 -13.477 1.00 0.00 H new ATOM 424 N GLY A 29 13.288 -10.905 -8.133 1.00 0.00 N ATOM 425 CA GLY A 29 13.576 -11.296 -6.765 1.00 0.00 C ATOM 426 C GLY A 29 14.735 -10.521 -6.172 1.00 0.00 C ATOM 427 O GLY A 29 15.637 -11.104 -5.571 1.00 0.00 O ATOM 0 H GLY A 29 12.310 -10.685 -8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.688 -11.142 -6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.803 -12.362 -6.735 1.00 0.00 H new ATOM 431 N ASN A 30 14.713 -9.203 -6.342 1.00 0.00 N ATOM 432 CA ASN A 30 15.772 -8.347 -5.820 1.00 0.00 C ATOM 433 C ASN A 30 15.257 -7.480 -4.675 1.00 0.00 C ATOM 434 O ASN A 30 15.975 -7.216 -3.710 1.00 0.00 O ATOM 435 CB ASN A 30 16.334 -7.460 -6.933 1.00 0.00 C ATOM 436 CG ASN A 30 17.496 -8.110 -7.660 1.00 0.00 C ATOM 437 OD1 ASN A 30 17.641 -9.333 -7.653 1.00 0.00 O ATOM 438 ND2 ASN A 30 18.331 -7.293 -8.291 1.00 0.00 N ATOM 0 H ASN A 30 13.973 -8.705 -6.837 1.00 0.00 H new ATOM 0 HA ASN A 30 16.567 -8.987 -5.438 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.543 -7.234 -7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 30 16.660 -6.511 -6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.131 -7.673 -8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.172 -6.286 -8.270 1.00 0.00 H new ATOM 445 N CYS A 31 14.009 -7.041 -4.789 1.00 0.00 N ATOM 446 CA CYS A 31 13.396 -6.204 -3.764 1.00 0.00 C ATOM 447 C CYS A 31 13.485 -6.869 -2.393 1.00 0.00 C ATOM 448 O CYS A 31 13.395 -8.091 -2.278 1.00 0.00 O ATOM 449 CB CYS A 31 11.933 -5.924 -4.113 1.00 0.00 C ATOM 450 SG CYS A 31 11.189 -4.560 -3.160 1.00 0.00 S ATOM 0 H CYS A 31 13.401 -7.251 -5.581 1.00 0.00 H new ATOM 0 HA CYS A 31 13.941 -5.261 -3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.862 -5.692 -5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.351 -6.830 -3.945 1.00 0.00 H new ATOM 0 HG CYS A 31 10.624 -3.719 -3.975 1.00 0.00 H new ATOM 455 N ALA A 32 13.663 -6.055 -1.358 1.00 0.00 N ATOM 456 CA ALA A 32 13.762 -6.564 0.005 1.00 0.00 C ATOM 457 C ALA A 32 12.580 -6.103 0.850 1.00 0.00 C ATOM 458 O ALA A 32 12.168 -6.790 1.785 1.00 0.00 O ATOM 459 CB ALA A 32 15.072 -6.120 0.639 1.00 0.00 C ATOM 0 H ALA A 32 13.742 -5.041 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 32 13.742 -7.653 -0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.133 -6.507 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.908 -6.504 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.115 -5.031 0.662 1.00 0.00 H new ATOM 465 N ARG A 33 12.038 -4.937 0.516 1.00 0.00 N ATOM 466 CA ARG A 33 10.904 -4.384 1.246 1.00 0.00 C ATOM 467 C ARG A 33 9.689 -5.300 1.138 1.00 0.00 C ATOM 468 O ARG A 33 8.841 -5.332 2.029 1.00 0.00 O ATOM 469 CB ARG A 33 10.556 -2.993 0.712 1.00 0.00 C ATOM 470 CG ARG A 33 11.583 -1.930 1.067 1.00 0.00 C ATOM 471 CD ARG A 33 11.133 -0.548 0.619 1.00 0.00 C ATOM 472 NE ARG A 33 12.263 0.323 0.312 1.00 0.00 N ATOM 473 CZ ARG A 33 13.094 0.120 -0.704 1.00 0.00 C ATOM 474 NH1 ARG A 33 12.920 -0.919 -1.509 1.00 0.00 N ATOM 475 NH2 ARG A 33 14.100 0.958 -0.919 1.00 0.00 N ATOM 0 H ARG A 33 12.366 -4.357 -0.256 1.00 0.00 H new ATOM 0 HA ARG A 33 11.185 -4.303 2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.458 -3.043 -0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.585 -2.694 1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.749 -1.928 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.537 -2.173 0.598 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.498 -0.642 -0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.527 -0.093 1.402 1.00 0.00 H new ATOM 0 HE ARG A 33 12.424 1.133 0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.147 -1.564 -1.349 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.559 -1.073 -2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.236 1.760 -0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.737 0.800 -1.700 1.00 0.00 H new ATOM 489 N GLY A 34 9.611 -6.045 0.039 1.00 0.00 N ATOM 490 CA GLY A 34 8.496 -6.951 -0.166 1.00 0.00 C ATOM 491 C GLY A 34 7.181 -6.220 -0.351 1.00 0.00 C ATOM 492 O GLY A 34 7.146 -4.990 -0.373 1.00 0.00 O ATOM 0 H GLY A 34 10.300 -6.037 -0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.691 -7.569 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.417 -7.624 0.688 1.00 0.00 H new ATOM 496 N GLU A 35 6.098 -6.979 -0.487 1.00 0.00 N ATOM 497 CA GLU A 35 4.775 -6.394 -0.674 1.00 0.00 C ATOM 498 C GLU A 35 4.206 -5.899 0.653 1.00 0.00 C ATOM 499 O GLU A 35 3.029 -5.549 0.746 1.00 0.00 O ATOM 500 CB GLU A 35 3.825 -7.417 -1.299 1.00 0.00 C ATOM 501 CG GLU A 35 2.428 -6.875 -1.553 1.00 0.00 C ATOM 502 CD GLU A 35 1.682 -7.659 -2.615 1.00 0.00 C ATOM 503 OE1 GLU A 35 1.476 -8.875 -2.420 1.00 0.00 O ATOM 504 OE2 GLU A 35 1.304 -7.056 -3.641 1.00 0.00 O ATOM 0 H GLU A 35 6.110 -7.999 -0.471 1.00 0.00 H new ATOM 0 HA GLU A 35 4.874 -5.542 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.248 -7.764 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.755 -8.284 -0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.859 -6.897 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.497 -5.831 -1.859 1.00 0.00 H new ATOM 511 N THR A 36 5.051 -5.874 1.680 1.00 0.00 N ATOM 512 CA THR A 36 4.634 -5.424 3.002 1.00 0.00 C ATOM 513 C THR A 36 5.342 -4.132 3.392 1.00 0.00 C ATOM 514 O THR A 36 4.779 -3.291 4.093 1.00 0.00 O ATOM 515 CB THR A 36 4.915 -6.494 4.073 1.00 0.00 C ATOM 516 OG1 THR A 36 6.301 -6.852 4.057 1.00 0.00 O ATOM 517 CG2 THR A 36 4.064 -7.733 3.837 1.00 0.00 C ATOM 0 H THR A 36 6.028 -6.160 1.621 1.00 0.00 H new ATOM 0 HA THR A 36 3.560 -5.245 2.951 1.00 0.00 H new ATOM 0 HB THR A 36 4.659 -6.076 5.047 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.471 -7.532 4.742 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.280 -8.475 4.606 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.009 -7.463 3.879 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.293 -8.150 2.856 1.00 0.00 H new ATOM 525 N ASP A 37 6.580 -3.980 2.934 1.00 0.00 N ATOM 526 CA ASP A 37 7.365 -2.788 3.234 1.00 0.00 C ATOM 527 C ASP A 37 7.542 -1.926 1.988 1.00 0.00 C ATOM 528 O ASP A 37 7.971 -0.775 2.073 1.00 0.00 O ATOM 529 CB ASP A 37 8.732 -3.181 3.797 1.00 0.00 C ATOM 530 CG ASP A 37 9.357 -2.075 4.624 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.830 -1.782 5.717 1.00 0.00 O ATOM 532 OD2 ASP A 37 10.373 -1.502 4.178 1.00 0.00 O ATOM 0 H ASP A 37 7.061 -4.667 2.354 1.00 0.00 H new ATOM 0 HA ASP A 37 6.826 -2.206 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.625 -4.075 4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.400 -3.438 2.975 1.00 0.00 H new ATOM 537 N CYS A 38 7.210 -2.491 0.832 1.00 0.00 N ATOM 538 CA CYS A 38 7.334 -1.776 -0.432 1.00 0.00 C ATOM 539 C CYS A 38 5.992 -1.185 -0.856 1.00 0.00 C ATOM 540 O CYS A 38 4.948 -1.821 -0.709 1.00 0.00 O ATOM 541 CB CYS A 38 7.859 -2.712 -1.522 1.00 0.00 C ATOM 542 SG CYS A 38 8.703 -1.857 -2.892 1.00 0.00 S ATOM 0 H CYS A 38 6.853 -3.442 0.745 1.00 0.00 H new ATOM 0 HA CYS A 38 8.043 -0.960 -0.292 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.550 -3.425 -1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.025 -3.287 -1.925 1.00 0.00 H new ATOM 0 HG CYS A 38 7.974 -1.933 -3.966 1.00 0.00 H new ATOM 547 N ARG A 39 6.028 0.034 -1.383 1.00 0.00 N ATOM 548 CA ARG A 39 4.816 0.711 -1.828 1.00 0.00 C ATOM 549 C ARG A 39 4.374 0.193 -3.193 1.00 0.00 C ATOM 550 O ARG A 39 3.182 0.006 -3.441 1.00 0.00 O ATOM 551 CB ARG A 39 5.045 2.222 -1.894 1.00 0.00 C ATOM 552 CG ARG A 39 5.311 2.858 -0.539 1.00 0.00 C ATOM 553 CD ARG A 39 4.966 4.339 -0.541 1.00 0.00 C ATOM 554 NE ARG A 39 5.624 5.056 0.548 1.00 0.00 N ATOM 555 CZ ARG A 39 5.219 6.237 1.001 1.00 0.00 C ATOM 556 NH1 ARG A 39 4.162 6.830 0.463 1.00 0.00 N ATOM 557 NH2 ARG A 39 5.870 6.826 1.996 1.00 0.00 N ATOM 0 H ARG A 39 6.884 0.574 -1.512 1.00 0.00 H new ATOM 0 HA ARG A 39 4.027 0.501 -1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.889 2.424 -2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.171 2.694 -2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.724 2.348 0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.360 2.728 -0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.260 4.778 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.886 4.460 -0.454 1.00 0.00 H new ATOM 0 HE ARG A 39 6.439 4.626 0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.658 6.379 -0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.853 7.737 0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.682 6.372 2.414 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.558 7.733 2.343 1.00 0.00 H new ATOM 571 N PHE A 40 5.341 -0.038 -4.074 1.00 0.00 N ATOM 572 CA PHE A 40 5.052 -0.533 -5.415 1.00 0.00 C ATOM 573 C PHE A 40 4.424 -1.923 -5.358 1.00 0.00 C ATOM 574 O PHE A 40 4.917 -2.809 -4.661 1.00 0.00 O ATOM 575 CB PHE A 40 6.330 -0.572 -6.254 1.00 0.00 C ATOM 576 CG PHE A 40 7.117 0.706 -6.209 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.672 1.832 -6.883 1.00 0.00 C ATOM 578 CD2 PHE A 40 8.301 0.783 -5.494 1.00 0.00 C ATOM 579 CE1 PHE A 40 7.393 3.011 -6.844 1.00 0.00 C ATOM 580 CE2 PHE A 40 9.025 1.959 -5.450 1.00 0.00 C ATOM 581 CZ PHE A 40 8.572 3.074 -6.127 1.00 0.00 C ATOM 0 H PHE A 40 6.332 0.110 -3.884 1.00 0.00 H new ATOM 0 HA PHE A 40 4.341 0.149 -5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.960 -1.390 -5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.069 -0.792 -7.289 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.751 1.788 -7.445 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.662 -0.086 -4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.035 3.882 -7.373 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.945 2.006 -4.886 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.138 3.993 -6.096 1.00 0.00 H new ATOM 591 N ALA A 41 3.334 -2.104 -6.095 1.00 0.00 N ATOM 592 CA ALA A 41 2.639 -3.385 -6.130 1.00 0.00 C ATOM 593 C ALA A 41 3.527 -4.475 -6.722 1.00 0.00 C ATOM 594 O ALA A 41 4.117 -4.298 -7.788 1.00 0.00 O ATOM 595 CB ALA A 41 1.348 -3.264 -6.925 1.00 0.00 C ATOM 0 H ALA A 41 2.913 -1.380 -6.676 1.00 0.00 H new ATOM 0 HA ALA A 41 2.396 -3.667 -5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.840 -4.228 -6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.701 -2.521 -6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.576 -2.956 -7.945 1.00 0.00 H new ATOM 601 N HIS A 42 3.618 -5.602 -6.023 1.00 0.00 N ATOM 602 CA HIS A 42 4.434 -6.721 -6.481 1.00 0.00 C ATOM 603 C HIS A 42 3.568 -7.794 -7.135 1.00 0.00 C ATOM 604 O HIS A 42 2.927 -8.602 -6.464 1.00 0.00 O ATOM 605 CB HIS A 42 5.214 -7.322 -5.311 1.00 0.00 C ATOM 606 CG HIS A 42 6.345 -6.460 -4.839 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.303 -6.896 -3.949 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.668 -5.180 -5.140 1.00 0.00 C ATOM 609 CE1 HIS A 42 8.166 -5.922 -3.722 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.803 -4.870 -4.433 1.00 0.00 N ATOM 0 H HIS A 42 3.137 -5.765 -5.138 1.00 0.00 H new ATOM 0 HA HIS A 42 5.138 -6.345 -7.224 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.530 -7.497 -4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.608 -8.294 -5.609 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.132 -4.525 -5.811 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.023 -5.977 -3.067 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.287 -3.973 -4.453 1.00 0.00 H new ATOM 618 N PRO A 43 3.547 -7.801 -8.476 1.00 0.00 N ATOM 619 CA PRO A 43 2.764 -8.769 -9.249 1.00 0.00 C ATOM 620 C PRO A 43 3.329 -10.182 -9.152 1.00 0.00 C ATOM 621 O PRO A 43 4.226 -10.556 -9.907 1.00 0.00 O ATOM 622 CB PRO A 43 2.873 -8.247 -10.684 1.00 0.00 C ATOM 623 CG PRO A 43 4.144 -7.471 -10.710 1.00 0.00 C ATOM 624 CD PRO A 43 4.287 -6.867 -9.340 1.00 0.00 C ATOM 0 HA PRO A 43 1.739 -8.848 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.895 -9.066 -11.403 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.020 -7.619 -10.942 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.991 -8.117 -10.942 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.113 -6.697 -11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.333 -6.788 -9.043 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.867 -5.862 -9.298 1.00 0.00 H new ATOM 696 N ILE A 49 -0.048 -6.533 -15.591 1.00 0.00 N ATOM 697 CA ILE A 49 1.034 -5.582 -15.812 1.00 0.00 C ATOM 698 C ILE A 49 0.943 -4.957 -17.200 1.00 0.00 C ATOM 699 O ILE A 49 0.650 -5.641 -18.181 1.00 0.00 O ATOM 700 CB ILE A 49 2.412 -6.251 -15.652 1.00 0.00 C ATOM 701 CG1 ILE A 49 2.583 -6.785 -14.229 1.00 0.00 C ATOM 702 CG2 ILE A 49 3.522 -5.266 -15.990 1.00 0.00 C ATOM 703 CD1 ILE A 49 3.784 -7.689 -14.062 1.00 0.00 C ATOM 0 HA ILE A 49 0.927 -4.802 -15.058 1.00 0.00 H new ATOM 0 HB ILE A 49 2.473 -7.090 -16.345 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.674 -5.943 -13.542 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.684 -7.332 -13.945 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.490 -5.754 -15.872 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.408 -4.929 -17.020 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.464 -4.408 -15.320 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.842 -8.030 -13.028 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.686 -8.550 -14.723 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.691 -7.139 -14.314 1.00 0.00 H new ATOM 715 N ASP A 50 1.195 -3.655 -17.274 1.00 0.00 N ATOM 716 CA ASP A 50 1.144 -2.938 -18.543 1.00 0.00 C ATOM 717 C ASP A 50 2.546 -2.741 -19.113 1.00 0.00 C ATOM 718 O ASP A 50 3.389 -2.082 -18.504 1.00 0.00 O ATOM 719 CB ASP A 50 0.460 -1.582 -18.359 1.00 0.00 C ATOM 720 CG ASP A 50 -1.048 -1.673 -18.487 1.00 0.00 C ATOM 721 OD1 ASP A 50 -1.527 -2.146 -19.538 1.00 0.00 O ATOM 722 OD2 ASP A 50 -1.749 -1.270 -17.535 1.00 0.00 O ATOM 0 H ASP A 50 1.437 -3.075 -16.471 1.00 0.00 H new ATOM 0 HA ASP A 50 0.566 -3.536 -19.247 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.715 -1.180 -17.379 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.843 -0.881 -19.101 1.00 0.00 H new ATOM 727 N THR A 51 2.788 -3.319 -20.286 1.00 0.00 N ATOM 728 CA THR A 51 4.088 -3.209 -20.937 1.00 0.00 C ATOM 729 C THR A 51 4.319 -1.800 -21.469 1.00 0.00 C ATOM 730 O THR A 51 5.354 -1.516 -22.071 1.00 0.00 O ATOM 731 CB THR A 51 4.220 -4.213 -22.098 1.00 0.00 C ATOM 732 OG1 THR A 51 3.168 -4.005 -23.047 1.00 0.00 O ATOM 733 CG2 THR A 51 4.172 -5.644 -21.585 1.00 0.00 C ATOM 0 H THR A 51 2.101 -3.867 -20.804 1.00 0.00 H new ATOM 0 HA THR A 51 4.841 -3.436 -20.182 1.00 0.00 H new ATOM 0 HB THR A 51 5.183 -4.050 -22.582 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.260 -4.646 -23.783 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.267 -6.334 -22.423 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.992 -5.807 -20.885 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.223 -5.817 -21.078 1.00 0.00 H new ATOM 741 N SER A 52 3.349 -0.920 -21.242 1.00 0.00 N ATOM 742 CA SER A 52 3.446 0.460 -21.702 1.00 0.00 C ATOM 743 C SER A 52 4.041 1.354 -20.617 1.00 0.00 C ATOM 744 O SER A 52 4.884 2.207 -20.894 1.00 0.00 O ATOM 745 CB SER A 52 2.067 0.983 -22.109 1.00 0.00 C ATOM 746 OG SER A 52 1.495 0.175 -23.123 1.00 0.00 O ATOM 0 H SER A 52 2.487 -1.138 -20.742 1.00 0.00 H new ATOM 0 HA SER A 52 4.106 0.482 -22.569 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.410 1.001 -21.240 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.154 2.010 -22.464 1.00 0.00 H new ATOM 0 HG SER A 52 0.614 0.529 -23.365 1.00 0.00 H new ATOM 752 N ASP A 53 3.595 1.151 -19.383 1.00 0.00 N ATOM 753 CA ASP A 53 4.083 1.936 -18.255 1.00 0.00 C ATOM 754 C ASP A 53 4.393 1.038 -17.061 1.00 0.00 C ATOM 755 O ASP A 53 4.391 1.488 -15.916 1.00 0.00 O ATOM 756 CB ASP A 53 3.051 2.993 -17.858 1.00 0.00 C ATOM 757 CG ASP A 53 1.627 2.530 -18.092 1.00 0.00 C ATOM 758 OD1 ASP A 53 1.379 1.308 -18.011 1.00 0.00 O ATOM 759 OD2 ASP A 53 0.760 3.388 -18.356 1.00 0.00 O ATOM 0 H ASP A 53 2.896 0.450 -19.138 1.00 0.00 H new ATOM 0 HA ASP A 53 5.003 2.433 -18.562 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.180 3.244 -16.805 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.232 3.905 -18.428 1.00 0.00 H new ATOM 764 N ASN A 54 4.660 -0.234 -17.338 1.00 0.00 N ATOM 765 CA ASN A 54 4.971 -1.196 -16.287 1.00 0.00 C ATOM 766 C ASN A 54 4.120 -0.940 -15.046 1.00 0.00 C ATOM 767 O ASN A 54 4.583 -1.105 -13.917 1.00 0.00 O ATOM 768 CB ASN A 54 6.456 -1.125 -15.925 1.00 0.00 C ATOM 769 CG ASN A 54 6.736 -0.112 -14.832 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.598 1.094 -15.037 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.133 -0.599 -13.662 1.00 0.00 N ATOM 0 H ASN A 54 4.667 -0.623 -18.281 1.00 0.00 H new ATOM 0 HA ASN A 54 4.743 -2.194 -16.663 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.796 -2.109 -15.601 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.032 -0.866 -16.813 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.337 0.034 -12.889 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.234 -1.606 -13.537 1.00 0.00 H new ATOM 778 N THR A 55 2.873 -0.536 -15.264 1.00 0.00 N ATOM 779 CA THR A 55 1.957 -0.257 -14.165 1.00 0.00 C ATOM 780 C THR A 55 0.750 -1.186 -14.205 1.00 0.00 C ATOM 781 O THR A 55 0.401 -1.723 -15.257 1.00 0.00 O ATOM 782 CB THR A 55 1.468 1.204 -14.198 1.00 0.00 C ATOM 783 OG1 THR A 55 0.898 1.500 -15.478 1.00 0.00 O ATOM 784 CG2 THR A 55 2.613 2.164 -13.912 1.00 0.00 C ATOM 0 H THR A 55 2.474 -0.395 -16.192 1.00 0.00 H new ATOM 0 HA THR A 55 2.511 -0.426 -13.242 1.00 0.00 H new ATOM 0 HB THR A 55 0.709 1.329 -13.425 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.468 1.130 -16.184 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.244 3.189 -13.941 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.026 1.954 -12.925 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.391 2.037 -14.665 1.00 0.00 H new ATOM 792 N VAL A 56 0.113 -1.372 -13.053 1.00 0.00 N ATOM 793 CA VAL A 56 -1.058 -2.235 -12.957 1.00 0.00 C ATOM 794 C VAL A 56 -2.302 -1.436 -12.586 1.00 0.00 C ATOM 795 O VAL A 56 -2.209 -0.368 -11.979 1.00 0.00 O ATOM 796 CB VAL A 56 -0.849 -3.352 -11.917 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.342 -4.219 -12.296 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.665 -2.757 -10.528 1.00 0.00 C ATOM 0 H VAL A 56 0.389 -0.936 -12.173 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.200 -2.686 -13.939 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.737 -3.983 -11.903 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.474 -5.002 -11.550 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.166 -4.673 -13.271 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.241 -3.604 -12.339 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.519 -3.559 -9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.207 -2.102 -10.525 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.551 -2.183 -10.258 1.00 0.00 H new ATOM 808 N THR A 57 -3.467 -1.960 -12.953 1.00 0.00 N ATOM 809 CA THR A 57 -4.730 -1.295 -12.659 1.00 0.00 C ATOM 810 C THR A 57 -5.169 -1.559 -11.223 1.00 0.00 C ATOM 811 O THR A 57 -4.760 -2.544 -10.609 1.00 0.00 O ATOM 812 CB THR A 57 -5.844 -1.757 -13.618 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.368 -1.738 -14.968 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.069 -0.863 -13.494 1.00 0.00 C ATOM 0 H THR A 57 -3.562 -2.843 -13.454 1.00 0.00 H new ATOM 0 HA THR A 57 -4.564 -0.226 -12.794 1.00 0.00 H new ATOM 0 HB THR A 57 -6.127 -2.774 -13.348 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.082 -2.035 -15.571 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.842 -1.208 -14.180 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.447 -0.903 -12.472 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.797 0.163 -13.741 1.00 0.00 H new ATOM 822 N VAL A 58 -6.006 -0.672 -10.693 1.00 0.00 N ATOM 823 CA VAL A 58 -6.502 -0.810 -9.329 1.00 0.00 C ATOM 824 C VAL A 58 -8.023 -0.909 -9.305 1.00 0.00 C ATOM 825 O VAL A 58 -8.720 -0.075 -9.884 1.00 0.00 O ATOM 826 CB VAL A 58 -6.062 0.375 -8.449 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.599 0.218 -7.035 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.546 0.499 -8.442 1.00 0.00 C ATOM 0 H VAL A 58 -6.354 0.149 -11.188 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.074 -1.729 -8.928 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.476 1.291 -8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.278 1.064 -6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.688 0.183 -7.061 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.216 -0.706 -6.601 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.253 1.341 -7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.108 -0.417 -8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.190 0.662 -9.459 1.00 0.00 H new ATOM 838 N CYS A 59 -8.533 -1.935 -8.632 1.00 0.00 N ATOM 839 CA CYS A 59 -9.972 -2.145 -8.531 1.00 0.00 C ATOM 840 C CYS A 59 -10.612 -1.101 -7.620 1.00 0.00 C ATOM 841 O CYS A 59 -10.210 -0.938 -6.468 1.00 0.00 O ATOM 842 CB CYS A 59 -10.269 -3.549 -8.003 1.00 0.00 C ATOM 843 SG CYS A 59 -11.870 -4.226 -8.547 1.00 0.00 S ATOM 0 H CYS A 59 -7.970 -2.635 -8.148 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.399 -2.042 -9.529 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.474 -4.222 -8.325 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.247 -3.528 -6.913 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.203 -5.222 -7.781 1.00 0.00 H new ATOM 848 N MET A 60 -11.610 -0.398 -8.144 1.00 0.00 N ATOM 849 CA MET A 60 -12.307 0.629 -7.378 1.00 0.00 C ATOM 850 C MET A 60 -13.105 0.007 -6.236 1.00 0.00 C ATOM 851 O MET A 60 -12.947 0.389 -5.076 1.00 0.00 O ATOM 852 CB MET A 60 -13.237 1.432 -8.288 1.00 0.00 C ATOM 853 CG MET A 60 -13.726 2.730 -7.665 1.00 0.00 C ATOM 854 SD MET A 60 -12.640 4.124 -8.023 1.00 0.00 S ATOM 855 CE MET A 60 -11.695 4.215 -6.504 1.00 0.00 C ATOM 0 H MET A 60 -11.955 -0.520 -9.096 1.00 0.00 H new ATOM 0 HA MET A 60 -11.560 1.300 -6.953 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.715 1.659 -9.218 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.098 0.816 -8.548 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.728 2.951 -8.034 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.804 2.603 -6.585 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.262 5.210 -6.404 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.350 4.018 -5.656 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.897 3.473 -6.527 1.00 0.00 H new ATOM 865 N ASP A 61 -13.961 -0.950 -6.572 1.00 0.00 N ATOM 866 CA ASP A 61 -14.784 -1.625 -5.575 1.00 0.00 C ATOM 867 C ASP A 61 -13.922 -2.181 -4.445 1.00 0.00 C ATOM 868 O ASP A 61 -14.106 -1.830 -3.280 1.00 0.00 O ATOM 869 CB ASP A 61 -15.586 -2.754 -6.223 1.00 0.00 C ATOM 870 CG ASP A 61 -16.508 -2.255 -7.318 1.00 0.00 C ATOM 871 OD1 ASP A 61 -16.102 -1.340 -8.064 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.637 -2.778 -7.427 1.00 0.00 O ATOM 0 H ASP A 61 -14.104 -1.277 -7.528 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.475 -0.894 -5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.899 -3.491 -6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.175 -3.262 -5.459 1.00 0.00 H new ATOM 877 N TYR A 62 -12.981 -3.049 -4.799 1.00 0.00 N ATOM 878 CA TYR A 62 -12.092 -3.656 -3.815 1.00 0.00 C ATOM 879 C TYR A 62 -11.732 -2.659 -2.718 1.00 0.00 C ATOM 880 O TYR A 62 -11.859 -2.954 -1.529 1.00 0.00 O ATOM 881 CB TYR A 62 -10.820 -4.168 -4.492 1.00 0.00 C ATOM 882 CG TYR A 62 -9.902 -4.927 -3.561 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.336 -6.074 -2.908 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.599 -4.498 -3.336 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.500 -6.770 -2.056 1.00 0.00 C ATOM 886 CE2 TYR A 62 -7.757 -5.189 -2.487 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.212 -6.324 -1.849 1.00 0.00 C ATOM 888 OH TYR A 62 -7.376 -7.016 -1.003 1.00 0.00 O ATOM 0 H TYR A 62 -12.814 -3.348 -5.760 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.616 -4.496 -3.360 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.097 -4.816 -5.324 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.277 -3.322 -4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.344 -6.428 -3.069 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.239 -3.609 -3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.854 -7.659 -1.555 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.747 -4.842 -2.323 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.504 -6.570 -0.968 1.00 0.00 H new ATOM 898 N ILE A 63 -11.283 -1.477 -3.126 1.00 0.00 N ATOM 899 CA ILE A 63 -10.906 -0.435 -2.179 1.00 0.00 C ATOM 900 C ILE A 63 -11.961 -0.274 -1.090 1.00 0.00 C ATOM 901 O ILE A 63 -11.642 -0.242 0.099 1.00 0.00 O ATOM 902 CB ILE A 63 -10.702 0.919 -2.884 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.523 0.840 -3.857 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.477 2.021 -1.860 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.215 0.470 -3.193 1.00 0.00 C ATOM 0 H ILE A 63 -11.171 -1.217 -4.106 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.964 -0.746 -1.726 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.602 1.155 -3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.749 0.106 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.409 1.803 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.334 2.972 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.344 2.090 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.591 1.792 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.424 0.433 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.966 1.217 -2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.311 -0.506 -2.718 1.00 0.00 H new ATOM 917 N LYS A 64 -13.220 -0.175 -1.503 1.00 0.00 N ATOM 918 CA LYS A 64 -14.324 -0.021 -0.563 1.00 0.00 C ATOM 919 C LYS A 64 -14.406 -1.216 0.381 1.00 0.00 C ATOM 920 O LYS A 64 -14.916 -1.106 1.495 1.00 0.00 O ATOM 921 CB LYS A 64 -15.645 0.137 -1.319 1.00 0.00 C ATOM 922 CG LYS A 64 -15.728 1.413 -2.138 1.00 0.00 C ATOM 923 CD LYS A 64 -17.047 1.510 -2.887 1.00 0.00 C ATOM 924 CE LYS A 64 -18.133 2.134 -2.024 1.00 0.00 C ATOM 925 NZ LYS A 64 -19.459 2.116 -2.702 1.00 0.00 N ATOM 0 H LYS A 64 -13.501 -0.199 -2.483 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.142 0.875 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.780 -0.719 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.467 0.120 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.617 2.276 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.902 1.445 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.911 2.105 -3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.360 0.516 -3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.201 1.595 -1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.861 3.162 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -20.172 2.550 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.401 2.652 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.731 1.133 -2.907 1.00 0.00 H new ATOM 939 N GLY A 65 -13.897 -2.358 -0.072 1.00 0.00 N ATOM 940 CA GLY A 65 -13.922 -3.557 0.746 1.00 0.00 C ATOM 941 C GLY A 65 -14.737 -4.670 0.118 1.00 0.00 C ATOM 942 O GLY A 65 -14.565 -5.841 0.457 1.00 0.00 O ATOM 0 H GLY A 65 -13.468 -2.474 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.902 -3.905 0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.335 -3.316 1.726 1.00 0.00 H new ATOM 946 N ARG A 66 -15.628 -4.305 -0.798 1.00 0.00 N ATOM 947 CA ARG A 66 -16.475 -5.282 -1.472 1.00 0.00 C ATOM 948 C ARG A 66 -16.323 -5.179 -2.987 1.00 0.00 C ATOM 949 O ARG A 66 -16.807 -4.232 -3.607 1.00 0.00 O ATOM 950 CB ARG A 66 -17.939 -5.076 -1.080 1.00 0.00 C ATOM 951 CG ARG A 66 -18.363 -5.884 0.136 1.00 0.00 C ATOM 952 CD ARG A 66 -18.526 -7.357 -0.203 1.00 0.00 C ATOM 953 NE ARG A 66 -17.254 -8.074 -0.154 1.00 0.00 N ATOM 954 CZ ARG A 66 -17.025 -9.210 -0.802 1.00 0.00 C ATOM 955 NH1 ARG A 66 -17.978 -9.756 -1.546 1.00 0.00 N ATOM 956 NH2 ARG A 66 -15.842 -9.803 -0.708 1.00 0.00 N ATOM 0 H ARG A 66 -15.782 -3.340 -1.090 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.159 -6.277 -1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.107 -4.018 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.574 -5.345 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.620 -5.771 0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.303 -5.493 0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.227 -7.814 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.959 -7.454 -1.199 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.500 -7.680 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.889 -9.303 -1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.800 -10.629 -2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.107 -9.386 -0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.668 -10.676 -1.207 1.00 0.00 H new ATOM 970 N CYS A 67 -15.648 -6.160 -3.576 1.00 0.00 N ATOM 971 CA CYS A 67 -15.431 -6.181 -5.018 1.00 0.00 C ATOM 972 C CYS A 67 -16.206 -7.323 -5.668 1.00 0.00 C ATOM 973 O CYS A 67 -15.765 -8.472 -5.655 1.00 0.00 O ATOM 974 CB CYS A 67 -13.940 -6.320 -5.329 1.00 0.00 C ATOM 975 SG CYS A 67 -13.585 -7.059 -6.955 1.00 0.00 S ATOM 0 H CYS A 67 -15.242 -6.951 -3.077 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.794 -5.239 -5.428 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.476 -5.335 -5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.474 -6.930 -4.555 1.00 0.00 H new ATOM 0 HG CYS A 67 -14.318 -8.120 -7.119 1.00 0.00 H new ATOM 980 N MET A 68 -17.363 -6.998 -6.236 1.00 0.00 N ATOM 981 CA MET A 68 -18.198 -7.997 -6.893 1.00 0.00 C ATOM 982 C MET A 68 -18.382 -7.666 -8.371 1.00 0.00 C ATOM 983 O MET A 68 -19.373 -8.059 -8.986 1.00 0.00 O ATOM 984 CB MET A 68 -19.562 -8.085 -6.205 1.00 0.00 C ATOM 985 CG MET A 68 -20.444 -6.870 -6.446 1.00 0.00 C ATOM 986 SD MET A 68 -22.202 -7.255 -6.333 1.00 0.00 S ATOM 987 CE MET A 68 -22.622 -7.427 -8.066 1.00 0.00 C ATOM 0 H MET A 68 -17.743 -6.052 -6.255 1.00 0.00 H new ATOM 0 HA MET A 68 -17.696 -8.961 -6.815 1.00 0.00 H new ATOM 0 HB2 MET A 68 -20.081 -8.976 -6.558 1.00 0.00 H new ATOM 0 HB3 MET A 68 -19.412 -8.208 -5.132 1.00 0.00 H new ATOM 0 HG2 MET A 68 -20.198 -6.097 -5.718 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.229 -6.459 -7.432 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.681 -7.666 -8.162 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.413 -6.492 -8.586 1.00 0.00 H new ATOM 0 HE3 MET A 68 -22.028 -8.228 -8.507 1.00 0.00 H new ATOM 997 N ARG A 69 -17.421 -6.940 -8.934 1.00 0.00 N ATOM 998 CA ARG A 69 -17.479 -6.555 -10.339 1.00 0.00 C ATOM 999 C ARG A 69 -17.542 -7.786 -11.238 1.00 0.00 C ATOM 1000 O ARG A 69 -16.937 -8.815 -10.940 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.262 -5.704 -10.706 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.284 -4.313 -10.093 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.338 -3.369 -10.820 1.00 0.00 C ATOM 1004 NE ARG A 69 -15.756 -1.975 -10.697 1.00 0.00 N ATOM 1005 CZ ARG A 69 -15.574 -1.067 -11.650 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -14.986 -1.406 -12.789 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -15.982 0.182 -11.464 1.00 0.00 N ATOM 0 H ARG A 69 -16.594 -6.607 -8.439 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.385 -5.968 -10.492 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.358 -6.220 -10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -16.207 -5.613 -11.791 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.298 -3.914 -10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.003 -4.373 -9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.332 -3.483 -10.417 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.292 -3.642 -11.874 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.212 -1.683 -9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.672 -2.365 -12.935 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.847 -0.707 -13.519 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -16.436 0.445 -10.589 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.842 0.879 -12.196 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.280 -7.672 -12.338 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.423 -8.777 -13.279 1.00 0.00 C ATOM 1023 C GLU A 70 -17.104 -9.056 -13.995 1.00 0.00 C ATOM 1024 O GLU A 70 -16.671 -8.281 -14.848 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.516 -8.465 -14.303 1.00 0.00 C ATOM 1026 CG GLU A 70 -19.550 -9.436 -15.471 1.00 0.00 C ATOM 1027 CD GLU A 70 -20.555 -9.035 -16.534 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -20.251 -8.117 -17.323 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -21.646 -9.641 -16.576 1.00 0.00 O ATOM 0 H GLU A 70 -18.788 -6.827 -12.599 1.00 0.00 H new ATOM 0 HA GLU A 70 -18.706 -9.666 -12.716 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.485 -8.477 -13.803 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -19.367 -7.455 -14.685 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.558 -9.495 -15.918 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -19.794 -10.433 -15.103 1.00 0.00 H new ATOM 1036 N LYS A 71 -16.469 -10.168 -13.641 1.00 0.00 N ATOM 1037 CA LYS A 71 -15.201 -10.552 -14.248 1.00 0.00 C ATOM 1038 C LYS A 71 -14.104 -9.552 -13.896 1.00 0.00 C ATOM 1039 O LYS A 71 -13.373 -9.083 -14.769 1.00 0.00 O ATOM 1040 CB LYS A 71 -15.348 -10.648 -15.768 1.00 0.00 C ATOM 1041 CG LYS A 71 -14.129 -11.232 -16.462 1.00 0.00 C ATOM 1042 CD LYS A 71 -14.212 -12.746 -16.555 1.00 0.00 C ATOM 1043 CE LYS A 71 -13.497 -13.416 -15.391 1.00 0.00 C ATOM 1044 NZ LYS A 71 -14.126 -14.716 -15.028 1.00 0.00 N ATOM 0 H LYS A 71 -16.813 -10.820 -12.936 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.919 -11.528 -13.853 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.218 -11.262 -16.002 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.542 -9.653 -16.169 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.042 -10.809 -17.463 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.229 -10.949 -15.917 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.257 -13.054 -16.567 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.771 -13.079 -17.495 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.451 -13.579 -15.652 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.510 -12.752 -14.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.610 -15.141 -14.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.117 -14.558 -14.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.091 -15.359 -15.845 1.00 0.00 H new ATOM 1058 N CYS A 72 -13.994 -9.230 -12.611 1.00 0.00 N ATOM 1059 CA CYS A 72 -12.986 -8.287 -12.142 1.00 0.00 C ATOM 1060 C CYS A 72 -11.610 -8.638 -12.702 1.00 0.00 C ATOM 1061 O CYS A 72 -11.127 -9.758 -12.536 1.00 0.00 O ATOM 1062 CB CYS A 72 -12.939 -8.276 -10.613 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.408 -7.572 -9.921 1.00 0.00 S ATOM 0 H CYS A 72 -14.591 -9.609 -11.876 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.261 -7.294 -12.497 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -13.790 -7.707 -10.238 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.053 -9.297 -10.249 1.00 0.00 H new ATOM 0 HG CYS A 72 -11.649 -6.383 -9.454 1.00 0.00 H new ATOM 1068 N LYS A 73 -10.984 -7.673 -13.366 1.00 0.00 N ATOM 1069 CA LYS A 73 -9.663 -7.877 -13.950 1.00 0.00 C ATOM 1070 C LYS A 73 -8.696 -6.786 -13.503 1.00 0.00 C ATOM 1071 O LYS A 73 -7.940 -6.244 -14.310 1.00 0.00 O ATOM 1072 CB LYS A 73 -9.756 -7.897 -15.477 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.189 -6.571 -16.078 1.00 0.00 C ATOM 1074 CD LYS A 73 -11.700 -6.485 -16.209 1.00 0.00 C ATOM 1075 CE LYS A 73 -12.139 -5.123 -16.723 1.00 0.00 C ATOM 1076 NZ LYS A 73 -12.122 -5.059 -18.211 1.00 0.00 N ATOM 0 H LYS A 73 -11.370 -6.741 -13.514 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.284 -8.838 -13.602 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.785 -8.173 -15.888 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.461 -8.671 -15.779 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.830 -5.753 -15.454 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.730 -6.448 -17.059 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.052 -7.262 -16.888 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.162 -6.675 -15.240 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.144 -4.905 -16.362 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.481 -4.353 -16.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.428 -4.115 -18.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.158 -5.241 -18.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.769 -5.776 -18.597 1.00 0.00 H new ATOM 1090 N TYR A 74 -8.724 -6.469 -12.213 1.00 0.00 N ATOM 1091 CA TYR A 74 -7.850 -5.441 -11.660 1.00 0.00 C ATOM 1092 C TYR A 74 -7.043 -5.987 -10.486 1.00 0.00 C ATOM 1093 O TYR A 74 -7.436 -6.964 -9.848 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.672 -4.232 -11.209 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.596 -3.696 -12.279 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -9.123 -3.404 -13.552 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -10.944 -3.482 -12.016 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -9.964 -2.913 -14.531 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -11.793 -2.993 -12.990 1.00 0.00 C ATOM 1100 CZ TYR A 74 -11.298 -2.710 -14.246 1.00 0.00 C ATOM 1101 OH TYR A 74 -12.140 -2.222 -15.220 1.00 0.00 O ATOM 0 H TYR A 74 -9.342 -6.909 -11.531 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.157 -5.130 -12.442 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.263 -4.510 -10.336 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.994 -3.438 -10.895 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.079 -3.564 -13.780 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.334 -3.702 -11.033 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.579 -2.689 -15.515 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -12.838 -2.833 -12.769 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.046 -2.138 -14.857 1.00 0.00 H new ATOM 1111 N PHE A 75 -5.912 -5.348 -10.206 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.047 -5.769 -9.110 1.00 0.00 C ATOM 1113 C PHE A 75 -5.637 -5.357 -7.764 1.00 0.00 C ATOM 1114 O PHE A 75 -6.334 -4.347 -7.662 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.650 -5.166 -9.274 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.755 -5.399 -8.091 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.085 -6.602 -7.938 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.583 -4.414 -7.131 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.260 -6.820 -6.851 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.758 -4.626 -6.042 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.097 -5.830 -5.901 1.00 0.00 C ATOM 0 H PHE A 75 -5.573 -4.537 -10.723 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.971 -6.856 -9.136 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.182 -5.589 -10.163 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.743 -4.093 -9.443 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.209 -7.379 -8.678 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.099 -3.471 -7.235 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.744 -7.763 -6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.631 -3.850 -5.302 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.454 -5.998 -5.050 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.351 -6.146 -6.733 1.00 0.00 N ATOM 1132 CA HIS A 76 -5.852 -5.864 -5.392 1.00 0.00 C ATOM 1133 C HIS A 76 -4.700 -5.662 -4.413 1.00 0.00 C ATOM 1134 O HIS A 76 -4.122 -6.617 -3.892 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.752 -7.003 -4.912 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.133 -6.959 -5.490 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.214 -7.585 -4.904 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.607 -6.359 -6.606 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.292 -7.372 -5.637 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -9.951 -6.630 -6.675 1.00 0.00 N ATOM 0 H HIS A 76 -4.775 -6.985 -6.800 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.435 -4.944 -5.434 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.289 -7.955 -5.171 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.821 -6.967 -3.825 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.185 -8.127 -4.040 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.034 -5.775 -7.312 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.284 -7.742 -5.424 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.356 -4.392 -4.156 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.271 -4.035 -3.238 1.00 0.00 C ATOM 1150 C PRO A 77 -3.617 -4.339 -1.784 1.00 0.00 C ATOM 1151 O PRO A 77 -4.757 -4.659 -1.447 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.111 -2.527 -3.446 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.442 -2.068 -3.931 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.002 -3.205 -4.741 1.00 0.00 C ATOM 0 HA PRO A 77 -2.364 -4.605 -3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.834 -2.027 -2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.328 -2.308 -4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.098 -1.823 -3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.347 -1.167 -4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.088 -3.258 -4.661 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.765 -3.099 -5.800 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.613 -4.236 -0.902 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.788 -4.495 0.531 1.00 0.00 C ATOM 1164 C PRO A 78 -3.628 -3.422 1.215 1.00 0.00 C ATOM 1165 O PRO A 78 -4.083 -2.475 0.575 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.356 -4.478 1.072 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.598 -3.628 0.112 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.228 -3.860 -1.234 1.00 0.00 C ATOM 0 HA PRO A 78 -3.317 -5.430 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.319 -4.066 2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.940 -5.484 1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.654 -2.576 0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.458 -3.899 0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.192 -2.964 -1.854 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.718 -4.650 -1.786 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.831 -3.578 2.519 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.615 -2.621 3.290 1.00 0.00 C ATOM 1178 C ALA A 79 -3.919 -1.265 3.353 1.00 0.00 C ATOM 1179 O ALA A 79 -4.480 -0.248 2.943 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.866 -3.153 4.693 1.00 0.00 C ATOM 0 H ALA A 79 -3.463 -4.358 3.064 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.573 -2.485 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.453 -2.428 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.413 -4.094 4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.913 -3.319 5.195 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.694 -1.257 3.869 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.922 -0.025 3.986 1.00 0.00 C ATOM 1188 C HIS A 80 -1.998 0.787 2.697 1.00 0.00 C ATOM 1189 O HIS A 80 -2.179 2.005 2.729 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.463 -0.343 4.318 1.00 0.00 C ATOM 1191 CG HIS A 80 0.189 -1.263 3.332 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.137 -2.637 3.437 1.00 0.00 N ATOM 1193 CD2 HIS A 80 0.908 -0.999 2.216 1.00 0.00 C ATOM 1194 CE1 HIS A 80 0.799 -3.178 2.430 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.276 -2.206 1.674 1.00 0.00 N ATOM 0 H HIS A 80 -2.215 -2.089 4.213 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.350 0.569 4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.102 0.588 4.362 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.414 -0.793 5.310 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.148 -0.021 1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.928 -4.236 2.255 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.828 -2.331 0.825 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.857 0.107 1.565 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.909 0.766 0.265 1.00 0.00 C ATOM 1205 C LEU A 81 -3.332 1.201 -0.069 1.00 0.00 C ATOM 1206 O LEU A 81 -3.586 2.376 -0.333 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.381 -0.169 -0.825 1.00 0.00 C ATOM 1208 CG LEU A 81 0.135 -0.173 -1.029 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.546 -1.315 -1.946 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.600 1.161 -1.593 1.00 0.00 C ATOM 0 H LEU A 81 -1.706 -0.901 1.521 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.278 1.654 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.699 -1.185 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.854 0.102 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 81 0.613 -0.321 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.628 -1.303 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.246 -2.264 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.059 -1.198 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.681 1.140 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.114 1.340 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.338 1.960 -0.900 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.257 0.246 -0.053 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.655 0.531 -0.353 1.00 0.00 C ATOM 1224 C GLN A 82 -6.048 1.916 0.152 1.00 0.00 C ATOM 1225 O GLN A 82 -6.798 2.637 -0.504 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.560 -0.530 0.276 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.800 -1.733 -0.621 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.626 -2.810 0.055 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.855 -2.747 0.071 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -6.952 -3.806 0.619 1.00 0.00 N ATOM 0 H GLN A 82 -4.063 -0.731 0.165 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.780 0.510 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.114 -0.868 1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.519 -0.076 0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.307 -1.408 -1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.841 -2.153 -0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.933 -3.818 0.582 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.454 -4.559 1.090 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.536 2.281 1.323 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.832 3.579 1.915 1.00 0.00 C ATOM 1241 C ALA A 83 -5.189 4.707 1.115 1.00 0.00 C ATOM 1242 O ALA A 83 -5.862 5.652 0.702 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.360 3.620 3.361 1.00 0.00 C ATOM 0 H ALA A 83 -4.914 1.695 1.880 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.912 3.723 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.588 4.596 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.870 2.844 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.284 3.450 3.397 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.882 4.603 0.900 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.147 5.613 0.148 1.00 0.00 C ATOM 1251 C LYS A 84 -3.994 6.165 -0.994 1.00 0.00 C ATOM 1252 O LYS A 84 -3.924 7.352 -1.314 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.848 5.022 -0.405 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.659 5.192 0.524 1.00 0.00 C ATOM 1255 CD LYS A 84 -0.634 4.118 1.599 1.00 0.00 C ATOM 1256 CE LYS A 84 0.329 4.474 2.721 1.00 0.00 C ATOM 1257 NZ LYS A 84 0.574 3.320 3.630 1.00 0.00 N ATOM 0 H LYS A 84 -3.310 3.829 1.236 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.906 6.431 0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.996 3.960 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.622 5.494 -1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.264 5.151 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.699 6.176 0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.636 3.986 2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.342 3.166 1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.275 4.808 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.074 5.309 3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.659 3.661 4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.220 2.652 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.454 2.840 3.353 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.794 5.297 -1.604 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.656 5.699 -2.709 1.00 0.00 C ATOM 1273 C ILE A 85 -6.928 6.368 -2.199 1.00 0.00 C ATOM 1274 O ILE A 85 -7.377 7.374 -2.748 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.040 4.495 -3.590 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -4.784 3.757 -4.059 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -6.867 4.954 -4.781 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.307 2.700 -3.088 1.00 0.00 C ATOM 0 H ILE A 85 -4.863 4.311 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.089 6.411 -3.308 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.643 3.807 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.986 3.289 -5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.985 4.481 -4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.131 4.092 -5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.776 5.440 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.287 5.659 -5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.414 2.218 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.073 3.165 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.090 1.955 -2.948 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.503 5.803 -1.142 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.722 6.345 -0.554 1.00 0.00 C ATOM 1292 C LYS A 86 -8.517 7.791 -0.113 1.00 0.00 C ATOM 1293 O LYS A 86 -9.380 8.643 -0.323 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.159 5.494 0.640 1.00 0.00 C ATOM 1295 CG LYS A 86 -9.535 4.070 0.267 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.653 3.539 1.148 1.00 0.00 C ATOM 1297 CE LYS A 86 -12.021 3.850 0.562 1.00 0.00 C ATOM 1298 NZ LYS A 86 -12.291 5.314 0.529 1.00 0.00 N ATOM 0 H LYS A 86 -7.144 4.970 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.503 6.322 -1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.352 5.468 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.012 5.971 1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.846 4.037 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.661 3.426 0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.543 2.461 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.574 3.978 2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.083 3.446 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.790 3.352 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.293 5.477 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.076 5.728 1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.694 5.761 -0.196 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.368 8.061 0.499 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.049 9.404 0.967 1.00 0.00 C ATOM 1314 C ALA A 87 -7.347 10.444 -0.108 1.00 0.00 C ATOM 1315 O ALA A 87 -7.903 11.504 0.179 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.590 9.482 1.390 1.00 0.00 C ATOM 0 H ALA A 87 -6.643 7.367 0.682 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.678 9.621 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.365 10.490 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.406 8.771 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.951 9.240 0.540 1.00 0.00 H new