USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 515 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 80 THR OG1 : rot 180:sc= 0.0032 USER MOD Set 1.2: A 83 LYS NZ :NH3+ -128:sc= -0.427 (180deg=-1.02) USER MOD Set 2.1: A 60 CYS SG : rot 124:sc= 0.509 USER MOD Set 2.2: A 68 CYS SG : rot 110:sc=0.000144 USER MOD Set 2.3: A 73 CYS SG : rot -113:sc= 0.425 USER MOD Set 2.4: A 77 HIS :FLIP no HD1:sc= -1.9 F(o=-2.1,f=-0.97) USER MOD Set 3.1: A 26 CYS SG : rot 134:sc= 0.286 USER MOD Set 3.2: A 34 CYS SG : rot -157:sc= 0.36 USER MOD Set 3.3: A 41 CYS SG : rot 149:sc= -0.769 USER MOD Set 3.4: A 45 HIS :FLIP no HD1:sc= -0.195 F(o=-3,f=-0.32) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.64) USER MOD Single : A 33 THR OG1 : rot -53:sc= 0.956 USER MOD Single : A 35 SER OG : rot -52:sc= 0.547 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 50:sc= -3.91 USER MOD Single : A 51 GLN : amide:sc= -0.096 K(o=-0.096,f=-3.7!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 63 SER OG : rot 110:sc= -1.03 USER MOD Single : A 65 LYS NZ :NH3+ -127:sc= 0.227 (180deg=-0.355) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.938 K(o=0.94,f=-0.17) USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= -0.011 (180deg=-0.175) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -10.4! C(o=-12!,f=-10!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -0.954 7.650 4.945 1.00 0.00 N ATOM 193 CA LEU A 21 -0.577 6.280 4.614 1.00 0.00 C ATOM 194 C LEU A 21 -1.036 5.311 5.699 1.00 0.00 C ATOM 195 O LEU A 21 -0.252 4.906 6.558 1.00 0.00 O ATOM 196 CB LEU A 21 0.938 6.177 4.431 1.00 0.00 C ATOM 197 CG LEU A 21 1.485 6.648 3.082 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.996 6.802 3.143 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.090 5.678 1.979 1.00 0.00 C ATOM 0 HA LEU A 21 -1.069 6.010 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.419 6.757 5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.232 5.137 4.577 1.00 0.00 H new ATOM 0 HG LEU A 21 1.050 7.622 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.367 7.138 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.256 7.536 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.450 5.843 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.487 6.029 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.496 4.691 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.003 5.618 1.919 1.00 0.00 H new ATOM 211 N THR A 22 -2.312 4.942 5.654 1.00 0.00 N ATOM 212 CA THR A 22 -2.876 4.020 6.632 1.00 0.00 C ATOM 213 C THR A 22 -3.819 3.023 5.968 1.00 0.00 C ATOM 214 O THR A 22 -4.484 3.344 4.983 1.00 0.00 O ATOM 215 CB THR A 22 -3.639 4.773 7.739 1.00 0.00 C ATOM 216 OG1 THR A 22 -4.362 5.873 7.174 1.00 0.00 O ATOM 217 CG2 THR A 22 -2.682 5.282 8.806 1.00 0.00 C ATOM 0 H THR A 22 -2.975 5.268 4.950 1.00 0.00 H new ATOM 0 HA THR A 22 -2.040 3.482 7.079 1.00 0.00 H new ATOM 0 HB THR A 22 -4.339 4.079 8.204 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.846 6.345 7.883 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.244 5.810 9.577 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.155 4.439 9.254 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.960 5.962 8.353 1.00 0.00 H new ATOM 225 N LEU A 23 -3.872 1.813 6.514 1.00 0.00 N ATOM 226 CA LEU A 23 -4.735 0.768 5.975 1.00 0.00 C ATOM 227 C LEU A 23 -5.308 -0.096 7.093 1.00 0.00 C ATOM 228 O LEU A 23 -4.613 -0.424 8.055 1.00 0.00 O ATOM 229 CB LEU A 23 -3.958 -0.104 4.988 1.00 0.00 C ATOM 230 CG LEU A 23 -3.749 0.484 3.592 1.00 0.00 C ATOM 231 CD1 LEU A 23 -2.773 -0.367 2.794 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.077 0.604 2.859 1.00 0.00 C ATOM 0 H LEU A 23 -3.328 1.531 7.329 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.562 1.248 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.981 -0.322 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.480 -1.055 4.885 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.325 1.482 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.637 0.067 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.814 -0.401 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.168 -1.378 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.909 1.024 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.530 -0.383 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.745 1.257 3.421 1.00 0.00 H new ATOM 244 N GLU A 24 -6.578 -0.464 6.959 1.00 0.00 N ATOM 245 CA GLU A 24 -7.243 -1.292 7.959 1.00 0.00 C ATOM 246 C GLU A 24 -6.713 -2.723 7.919 1.00 0.00 C ATOM 247 O GLU A 24 -6.859 -3.423 6.918 1.00 0.00 O ATOM 248 CB GLU A 24 -8.756 -1.290 7.730 1.00 0.00 C ATOM 249 CG GLU A 24 -9.532 -2.054 8.790 1.00 0.00 C ATOM 250 CD GLU A 24 -10.987 -1.631 8.866 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.671 -1.673 7.822 1.00 0.00 O ATOM 252 OE2 GLU A 24 -11.440 -1.258 9.968 1.00 0.00 O ATOM 0 H GLU A 24 -7.167 -0.202 6.168 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.031 -0.871 8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.110 -0.259 7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.968 -1.724 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.478 -3.121 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.061 -1.900 9.761 1.00 0.00 H new ATOM 259 N VAL A 25 -6.097 -3.149 9.017 1.00 0.00 N ATOM 260 CA VAL A 25 -5.546 -4.496 9.110 1.00 0.00 C ATOM 261 C VAL A 25 -6.654 -5.539 9.191 1.00 0.00 C ATOM 262 O VAL A 25 -7.536 -5.459 10.047 1.00 0.00 O ATOM 263 CB VAL A 25 -4.626 -4.643 10.337 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.030 -6.041 10.394 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.530 -3.588 10.310 1.00 0.00 C ATOM 0 H VAL A 25 -5.967 -2.581 9.854 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.961 -4.662 8.205 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.223 -4.492 11.237 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.383 -6.125 11.267 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.832 -6.776 10.464 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.447 -6.225 9.492 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.889 -3.706 11.184 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.934 -3.705 9.405 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.980 -2.595 10.322 1.00 0.00 H new ATOM 275 N CYS A 26 -6.603 -6.520 8.296 1.00 0.00 N ATOM 276 CA CYS A 26 -7.602 -7.581 8.265 1.00 0.00 C ATOM 277 C CYS A 26 -7.731 -8.247 9.632 1.00 0.00 C ATOM 278 O CYS A 26 -6.804 -8.907 10.102 1.00 0.00 O ATOM 279 CB CYS A 26 -7.236 -8.625 7.209 1.00 0.00 C ATOM 280 SG CYS A 26 -8.439 -9.985 7.059 1.00 0.00 S ATOM 0 H CYS A 26 -5.879 -6.602 7.582 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.562 -7.134 8.006 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.141 -8.130 6.242 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.259 -9.043 7.451 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.700 -10.197 5.803 1.00 0.00 H new ATOM 285 N ARG A 27 -8.886 -8.069 10.265 1.00 0.00 N ATOM 286 CA ARG A 27 -9.135 -8.651 11.578 1.00 0.00 C ATOM 287 C ARG A 27 -8.740 -10.125 11.603 1.00 0.00 C ATOM 288 O ARG A 27 -7.882 -10.533 12.385 1.00 0.00 O ATOM 289 CB ARG A 27 -10.611 -8.501 11.954 1.00 0.00 C ATOM 290 CG ARG A 27 -10.854 -8.442 13.453 1.00 0.00 C ATOM 291 CD ARG A 27 -12.117 -7.661 13.782 1.00 0.00 C ATOM 292 NE ARG A 27 -12.142 -7.220 15.173 1.00 0.00 N ATOM 293 CZ ARG A 27 -11.333 -6.287 15.663 1.00 0.00 C ATOM 294 NH1 ARG A 27 -10.441 -5.699 14.877 1.00 0.00 N ATOM 295 NH2 ARG A 27 -11.415 -5.939 16.941 1.00 0.00 N ATOM 0 H ARG A 27 -9.664 -7.526 9.890 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.525 -8.117 12.306 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.004 -7.594 11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.171 -9.338 11.536 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.937 -9.454 13.849 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.999 -7.977 13.943 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.188 -6.794 13.126 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.990 -8.283 13.583 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.818 -7.652 15.804 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.375 -5.963 13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.821 -4.983 15.256 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.100 -6.388 17.549 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.793 -5.222 17.315 1.00 0.00 H new ATOM 309 N GLN A 28 -9.372 -10.916 10.743 1.00 0.00 N ATOM 310 CA GLN A 28 -9.087 -12.344 10.668 1.00 0.00 C ATOM 311 C GLN A 28 -7.585 -12.596 10.597 1.00 0.00 C ATOM 312 O GLN A 28 -7.034 -13.358 11.393 1.00 0.00 O ATOM 313 CB GLN A 28 -9.778 -12.960 9.450 1.00 0.00 C ATOM 314 CG GLN A 28 -11.252 -13.256 9.671 1.00 0.00 C ATOM 315 CD GLN A 28 -12.042 -13.284 8.377 1.00 0.00 C ATOM 316 OE1 GLN A 28 -12.857 -12.400 8.114 1.00 0.00 O ATOM 317 NE2 GLN A 28 -11.805 -14.305 7.561 1.00 0.00 N ATOM 0 H GLN A 28 -10.084 -10.593 10.089 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.473 -12.814 11.572 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.675 -12.282 8.603 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.267 -13.885 9.182 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.354 -14.217 10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.675 -12.501 10.334 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.120 -15.016 7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.308 -14.378 6.676 1.00 0.00 H new ATOM 326 N PHE A 29 -6.926 -11.953 9.639 1.00 0.00 N ATOM 327 CA PHE A 29 -5.487 -12.108 9.463 1.00 0.00 C ATOM 328 C PHE A 29 -4.772 -12.112 10.811 1.00 0.00 C ATOM 329 O PHE A 29 -4.018 -13.034 11.121 1.00 0.00 O ATOM 330 CB PHE A 29 -4.935 -10.985 8.583 1.00 0.00 C ATOM 331 CG PHE A 29 -3.435 -10.904 8.584 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.672 -11.945 8.081 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.788 -9.788 9.089 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.292 -11.874 8.081 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.408 -9.711 9.092 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.659 -10.755 8.586 1.00 0.00 C ATOM 0 H PHE A 29 -7.366 -11.319 8.972 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.307 -13.065 8.973 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.282 -11.132 7.560 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.342 -10.033 8.924 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.161 -12.822 7.684 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.369 -8.968 9.485 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.709 -12.693 7.686 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.916 -8.836 9.490 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.419 -10.697 8.585 1.00 0.00 H new ATOM 346 N GLN A 30 -5.014 -11.075 11.606 1.00 0.00 N ATOM 347 CA GLN A 30 -4.393 -10.958 12.919 1.00 0.00 C ATOM 348 C GLN A 30 -4.556 -12.249 13.715 1.00 0.00 C ATOM 349 O GLN A 30 -3.577 -12.821 14.195 1.00 0.00 O ATOM 350 CB GLN A 30 -5.002 -9.787 13.693 1.00 0.00 C ATOM 351 CG GLN A 30 -4.421 -8.436 13.308 1.00 0.00 C ATOM 352 CD GLN A 30 -3.168 -8.095 14.090 1.00 0.00 C ATOM 353 OE1 GLN A 30 -3.104 -8.300 15.302 1.00 0.00 O ATOM 354 NE2 GLN A 30 -2.163 -7.571 13.398 1.00 0.00 N ATOM 0 H GLN A 30 -5.636 -10.304 11.363 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.329 -10.774 12.774 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.079 -9.772 13.524 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.849 -9.948 14.760 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.191 -8.434 12.242 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.170 -7.662 13.474 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.260 -7.418 12.394 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.294 -7.321 13.870 1.00 0.00 H new ATOM 363 N ARG A 31 -5.798 -12.701 13.852 1.00 0.00 N ATOM 364 CA ARG A 31 -6.089 -13.923 14.592 1.00 0.00 C ATOM 365 C ARG A 31 -5.521 -15.143 13.872 1.00 0.00 C ATOM 366 O ARG A 31 -5.251 -16.171 14.490 1.00 0.00 O ATOM 367 CB ARG A 31 -7.599 -14.085 14.778 1.00 0.00 C ATOM 368 CG ARG A 31 -8.269 -12.869 15.396 1.00 0.00 C ATOM 369 CD ARG A 31 -9.731 -13.141 15.714 1.00 0.00 C ATOM 370 NE ARG A 31 -10.520 -13.372 14.507 1.00 0.00 N ATOM 371 CZ ARG A 31 -11.773 -13.812 14.521 1.00 0.00 C ATOM 372 NH1 ARG A 31 -12.378 -14.066 15.673 1.00 0.00 N ATOM 373 NH2 ARG A 31 -12.426 -13.997 13.380 1.00 0.00 N ATOM 0 H ARG A 31 -6.619 -12.239 13.460 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.615 -13.846 15.571 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.056 -14.289 13.810 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.788 -14.954 15.409 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.743 -12.587 16.308 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.195 -12.024 14.711 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.804 -14.011 16.367 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.146 -12.295 16.262 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.085 -13.185 13.604 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.881 -13.924 16.552 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.340 -14.404 15.680 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.965 -13.801 12.491 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.388 -14.335 13.392 1.00 0.00 H new ATOM 387 N GLY A 32 -5.343 -15.019 12.560 1.00 0.00 N ATOM 388 CA GLY A 32 -4.809 -16.118 11.777 1.00 0.00 C ATOM 389 C GLY A 32 -5.897 -17.010 11.212 1.00 0.00 C ATOM 390 O GLY A 32 -5.738 -18.229 11.143 1.00 0.00 O ATOM 0 H GLY A 32 -5.559 -14.177 12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.209 -15.719 10.959 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.142 -16.714 12.400 1.00 0.00 H new ATOM 394 N THR A 33 -7.008 -16.402 10.808 1.00 0.00 N ATOM 395 CA THR A 33 -8.128 -17.148 10.249 1.00 0.00 C ATOM 396 C THR A 33 -8.643 -16.494 8.973 1.00 0.00 C ATOM 397 O THR A 33 -9.848 -16.461 8.722 1.00 0.00 O ATOM 398 CB THR A 33 -9.287 -17.261 11.258 1.00 0.00 C ATOM 399 OG1 THR A 33 -10.333 -18.073 10.713 1.00 0.00 O ATOM 400 CG2 THR A 33 -9.835 -15.886 11.609 1.00 0.00 C ATOM 0 H THR A 33 -7.156 -15.394 10.858 1.00 0.00 H new ATOM 0 HA THR A 33 -7.758 -18.147 10.018 1.00 0.00 H new ATOM 0 HB THR A 33 -8.904 -17.724 12.167 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.587 -17.730 9.831 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.652 -15.991 12.323 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.043 -15.281 12.051 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.203 -15.399 10.706 1.00 0.00 H new ATOM 408 N CYS A 34 -7.723 -15.974 8.167 1.00 0.00 N ATOM 409 CA CYS A 34 -8.083 -15.320 6.915 1.00 0.00 C ATOM 410 C CYS A 34 -7.667 -16.171 5.718 1.00 0.00 C ATOM 411 O CYS A 34 -6.502 -16.172 5.319 1.00 0.00 O ATOM 412 CB CYS A 34 -7.426 -13.942 6.828 1.00 0.00 C ATOM 413 SG CYS A 34 -7.301 -13.283 5.134 1.00 0.00 S ATOM 0 H CYS A 34 -6.721 -15.993 8.359 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.166 -15.200 6.895 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.995 -13.241 7.438 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.426 -14.000 7.258 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.346 -12.403 5.080 1.00 0.00 H new ATOM 418 N SER A 35 -8.627 -16.893 5.150 1.00 0.00 N ATOM 419 CA SER A 35 -8.361 -17.751 4.001 1.00 0.00 C ATOM 420 C SER A 35 -8.449 -16.959 2.700 1.00 0.00 C ATOM 421 O SER A 35 -8.702 -17.521 1.634 1.00 0.00 O ATOM 422 CB SER A 35 -9.349 -18.918 3.969 1.00 0.00 C ATOM 423 OG SER A 35 -8.971 -19.880 2.999 1.00 0.00 O ATOM 0 H SER A 35 -9.597 -16.901 5.467 1.00 0.00 H new ATOM 0 HA SER A 35 -7.349 -18.144 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.395 -19.387 4.952 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.349 -18.546 3.746 1.00 0.00 H new ATOM 0 HG SER A 35 -8.830 -19.437 2.136 1.00 0.00 H new ATOM 429 N ARG A 36 -8.240 -15.650 2.796 1.00 0.00 N ATOM 430 CA ARG A 36 -8.297 -14.779 1.628 1.00 0.00 C ATOM 431 C ARG A 36 -6.896 -14.361 1.192 1.00 0.00 C ATOM 432 O ARG A 36 -6.164 -13.723 1.950 1.00 0.00 O ATOM 433 CB ARG A 36 -9.141 -13.539 1.930 1.00 0.00 C ATOM 434 CG ARG A 36 -10.591 -13.855 2.259 1.00 0.00 C ATOM 435 CD ARG A 36 -11.450 -13.898 1.005 1.00 0.00 C ATOM 436 NE ARG A 36 -11.385 -15.198 0.342 1.00 0.00 N ATOM 437 CZ ARG A 36 -12.210 -15.568 -0.631 1.00 0.00 C ATOM 438 NH1 ARG A 36 -13.157 -14.741 -1.053 1.00 0.00 N ATOM 439 NH2 ARG A 36 -12.088 -16.768 -1.185 1.00 0.00 N ATOM 0 H ARG A 36 -8.030 -15.169 3.671 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.761 -15.336 0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.696 -13.002 2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.110 -12.870 1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.648 -14.814 2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.982 -13.103 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.485 -13.676 1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.122 -13.122 0.314 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.667 -15.857 0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.253 -13.818 -0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.789 -15.028 -1.800 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.360 -17.407 -0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.722 -17.052 -1.932 1.00 0.00 H new ATOM 453 N SER A 37 -6.529 -14.724 -0.032 1.00 0.00 N ATOM 454 CA SER A 37 -5.214 -14.390 -0.567 1.00 0.00 C ATOM 455 C SER A 37 -4.975 -12.884 -0.520 1.00 0.00 C ATOM 456 O SER A 37 -5.900 -12.105 -0.291 1.00 0.00 O ATOM 457 CB SER A 37 -5.082 -14.895 -2.006 1.00 0.00 C ATOM 458 OG SER A 37 -5.074 -16.311 -2.050 1.00 0.00 O ATOM 0 H SER A 37 -7.124 -15.250 -0.673 1.00 0.00 H new ATOM 0 HA SER A 37 -4.462 -14.879 0.052 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.908 -14.514 -2.606 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.163 -14.509 -2.448 1.00 0.00 H new ATOM 0 HG SER A 37 -4.991 -16.609 -2.980 1.00 0.00 H new ATOM 464 N ASP A 38 -3.728 -12.483 -0.739 1.00 0.00 N ATOM 465 CA ASP A 38 -3.366 -11.070 -0.723 1.00 0.00 C ATOM 466 C ASP A 38 -3.995 -10.335 -1.903 1.00 0.00 C ATOM 467 O ASP A 38 -4.250 -9.133 -1.831 1.00 0.00 O ATOM 468 CB ASP A 38 -1.845 -10.911 -0.759 1.00 0.00 C ATOM 469 CG ASP A 38 -1.223 -10.983 0.621 1.00 0.00 C ATOM 470 OD1 ASP A 38 -1.874 -11.525 1.539 1.00 0.00 O ATOM 471 OD2 ASP A 38 -0.084 -10.497 0.784 1.00 0.00 O ATOM 0 H ASP A 38 -2.951 -13.116 -0.930 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.747 -10.633 0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.416 -11.690 -1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.593 -9.955 -1.218 1.00 0.00 H new ATOM 476 N GLU A 39 -4.240 -11.065 -2.986 1.00 0.00 N ATOM 477 CA GLU A 39 -4.837 -10.480 -4.181 1.00 0.00 C ATOM 478 C GLU A 39 -6.350 -10.677 -4.185 1.00 0.00 C ATOM 479 O GLU A 39 -7.047 -10.190 -5.075 1.00 0.00 O ATOM 480 CB GLU A 39 -4.227 -11.102 -5.439 1.00 0.00 C ATOM 481 CG GLU A 39 -2.816 -10.621 -5.733 1.00 0.00 C ATOM 482 CD GLU A 39 -2.245 -11.228 -7.000 1.00 0.00 C ATOM 483 OE1 GLU A 39 -3.036 -11.556 -7.909 1.00 0.00 O ATOM 484 OE2 GLU A 39 -1.008 -11.376 -7.083 1.00 0.00 O ATOM 0 H GLU A 39 -4.035 -12.061 -3.061 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.627 -9.410 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.217 -12.186 -5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.865 -10.874 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.818 -9.535 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.169 -10.869 -4.892 1.00 0.00 H new ATOM 491 N GLU A 40 -6.851 -11.395 -3.185 1.00 0.00 N ATOM 492 CA GLU A 40 -8.281 -11.657 -3.074 1.00 0.00 C ATOM 493 C GLU A 40 -8.905 -10.813 -1.966 1.00 0.00 C ATOM 494 O GLU A 40 -9.868 -10.081 -2.196 1.00 0.00 O ATOM 495 CB GLU A 40 -8.530 -13.142 -2.801 1.00 0.00 C ATOM 496 CG GLU A 40 -8.658 -13.980 -4.061 1.00 0.00 C ATOM 497 CD GLU A 40 -10.016 -13.838 -4.721 1.00 0.00 C ATOM 498 OE1 GLU A 40 -10.987 -14.440 -4.217 1.00 0.00 O ATOM 499 OE2 GLU A 40 -10.108 -13.123 -5.741 1.00 0.00 O ATOM 0 H GLU A 40 -6.288 -11.806 -2.440 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.749 -11.385 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.712 -13.534 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.441 -13.246 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.882 -13.687 -4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.486 -15.028 -3.815 1.00 0.00 H new ATOM 506 N CYS A 41 -8.349 -10.921 -0.764 1.00 0.00 N ATOM 507 CA CYS A 41 -8.850 -10.170 0.380 1.00 0.00 C ATOM 508 C CYS A 41 -8.763 -8.668 0.126 1.00 0.00 C ATOM 509 O CYS A 41 -7.765 -8.172 -0.398 1.00 0.00 O ATOM 510 CB CYS A 41 -8.059 -10.531 1.640 1.00 0.00 C ATOM 511 SG CYS A 41 -9.015 -10.389 3.184 1.00 0.00 S ATOM 0 H CYS A 41 -7.551 -11.522 -0.557 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.897 -10.436 0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.692 -11.553 1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.185 -9.883 1.705 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.582 -11.262 4.044 1.00 0.00 H new ATOM 516 N LYS A 42 -9.815 -7.948 0.500 1.00 0.00 N ATOM 517 CA LYS A 42 -9.859 -6.502 0.315 1.00 0.00 C ATOM 518 C LYS A 42 -9.203 -5.783 1.489 1.00 0.00 C ATOM 519 O LYS A 42 -9.541 -4.640 1.796 1.00 0.00 O ATOM 520 CB LYS A 42 -11.306 -6.031 0.158 1.00 0.00 C ATOM 521 CG LYS A 42 -12.063 -6.745 -0.948 1.00 0.00 C ATOM 522 CD LYS A 42 -13.540 -6.392 -0.932 1.00 0.00 C ATOM 523 CE LYS A 42 -14.297 -7.207 0.106 1.00 0.00 C ATOM 524 NZ LYS A 42 -15.684 -6.703 0.303 1.00 0.00 N ATOM 0 H LYS A 42 -10.650 -8.343 0.934 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.305 -6.260 -0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.832 -6.180 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.310 -4.960 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.635 -6.478 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.944 -7.823 -0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.659 -5.330 -0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.968 -6.569 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.331 -8.251 -0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.761 -7.175 1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.166 -7.285 1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.652 -5.715 0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.204 -6.757 -0.596 1.00 0.00 H new ATOM 538 N PHE A 43 -8.262 -6.459 2.140 1.00 0.00 N ATOM 539 CA PHE A 43 -7.559 -5.884 3.281 1.00 0.00 C ATOM 540 C PHE A 43 -6.054 -6.106 3.160 1.00 0.00 C ATOM 541 O PHE A 43 -5.597 -6.895 2.333 1.00 0.00 O ATOM 542 CB PHE A 43 -8.072 -6.496 4.586 1.00 0.00 C ATOM 543 CG PHE A 43 -9.491 -6.119 4.906 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.543 -6.640 4.170 1.00 0.00 C ATOM 545 CD2 PHE A 43 -9.772 -5.244 5.944 1.00 0.00 C ATOM 546 CE1 PHE A 43 -11.849 -6.296 4.463 1.00 0.00 C ATOM 547 CE2 PHE A 43 -11.076 -4.897 6.241 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.116 -5.422 5.499 1.00 0.00 C ATOM 0 H PHE A 43 -7.969 -7.405 1.897 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.752 -4.811 3.291 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.998 -7.582 4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.426 -6.179 5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.340 -7.323 3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.963 -4.829 6.527 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.660 -6.710 3.883 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -11.282 -4.215 7.053 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.136 -5.150 5.728 1.00 0.00 H new ATOM 558 N ALA A 44 -5.289 -5.404 3.990 1.00 0.00 N ATOM 559 CA ALA A 44 -3.837 -5.526 3.977 1.00 0.00 C ATOM 560 C ALA A 44 -3.353 -6.442 5.096 1.00 0.00 C ATOM 561 O ALA A 44 -3.823 -6.354 6.231 1.00 0.00 O ATOM 562 CB ALA A 44 -3.192 -4.153 4.100 1.00 0.00 C ATOM 0 H ALA A 44 -5.651 -4.745 4.679 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.542 -5.971 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.107 -4.258 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.504 -3.528 3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.502 -3.688 5.036 1.00 0.00 H new ATOM 568 N HIS A 45 -2.411 -7.321 4.769 1.00 0.00 N ATOM 569 CA HIS A 45 -1.864 -8.255 5.747 1.00 0.00 C ATOM 570 C HIS A 45 -0.359 -8.058 5.902 1.00 0.00 C ATOM 571 O HIS A 45 0.446 -8.638 5.174 1.00 0.00 O ATOM 572 CB HIS A 45 -2.161 -9.695 5.331 1.00 0.00 C ATOM 573 CG HIS A 45 -3.586 -9.921 4.928 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.714 -9.246 5.250 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -3.980 -10.947 4.095 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -5.758 -9.869 4.612 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.288 -10.892 3.921 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.011 -7.406 3.835 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.340 -8.057 6.707 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.510 -9.966 4.500 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.916 -10.361 6.158 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.322 -11.681 3.654 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.795 -9.571 4.666 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.841 -11.531 3.350 1.00 0.00 H new ATOM 585 N PRO A 46 0.032 -7.219 6.873 1.00 0.00 N ATOM 586 CA PRO A 46 1.442 -6.926 7.147 1.00 0.00 C ATOM 587 C PRO A 46 2.176 -8.120 7.747 1.00 0.00 C ATOM 588 O PRO A 46 1.741 -8.715 8.733 1.00 0.00 O ATOM 589 CB PRO A 46 1.377 -5.776 8.155 1.00 0.00 C ATOM 590 CG PRO A 46 0.054 -5.933 8.823 1.00 0.00 C ATOM 591 CD PRO A 46 -0.873 -6.493 7.780 1.00 0.00 C ATOM 0 HA PRO A 46 1.992 -6.682 6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.193 -5.834 8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.458 -4.809 7.658 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.127 -6.602 9.680 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.311 -4.976 9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.618 -7.156 8.219 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.416 -5.704 7.259 1.00 0.00 H new ATOM 599 N PRO A 47 3.317 -8.480 7.142 1.00 0.00 N ATOM 600 CA PRO A 47 4.137 -9.606 7.601 1.00 0.00 C ATOM 601 C PRO A 47 4.820 -9.319 8.934 1.00 0.00 C ATOM 602 O PRO A 47 4.976 -8.163 9.328 1.00 0.00 O ATOM 603 CB PRO A 47 5.177 -9.764 6.490 1.00 0.00 C ATOM 604 CG PRO A 47 5.272 -8.415 5.865 1.00 0.00 C ATOM 605 CD PRO A 47 3.896 -7.816 5.962 1.00 0.00 C ATOM 0 HA PRO A 47 3.540 -10.501 7.774 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.139 -10.083 6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.869 -10.516 5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.005 -7.796 6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.594 -8.488 4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.937 -6.734 6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.309 -8.009 5.064 1.00 0.00 H new ATOM 613 N LYS A 48 5.226 -10.379 9.625 1.00 0.00 N ATOM 614 CA LYS A 48 5.895 -10.243 10.913 1.00 0.00 C ATOM 615 C LYS A 48 6.941 -9.133 10.868 1.00 0.00 C ATOM 616 O LYS A 48 6.905 -8.201 11.672 1.00 0.00 O ATOM 617 CB LYS A 48 6.555 -11.565 11.311 1.00 0.00 C ATOM 618 CG LYS A 48 6.771 -11.711 12.807 1.00 0.00 C ATOM 619 CD LYS A 48 5.463 -11.961 13.538 1.00 0.00 C ATOM 620 CE LYS A 48 5.135 -13.445 13.601 1.00 0.00 C ATOM 621 NZ LYS A 48 4.054 -13.733 14.584 1.00 0.00 N ATOM 0 H LYS A 48 5.103 -11.343 9.314 1.00 0.00 H new ATOM 0 HA LYS A 48 5.144 -9.981 11.658 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.936 -12.391 10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.516 -11.649 10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.458 -12.535 12.997 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.240 -10.808 13.198 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.527 -11.558 14.549 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.656 -11.430 13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.830 -13.792 12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.031 -14.004 13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.860 -14.755 14.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.355 -13.426 15.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.191 -13.220 14.311 1.00 0.00 H new ATOM 635 N SER A 49 7.870 -9.239 9.924 1.00 0.00 N ATOM 636 CA SER A 49 8.927 -8.246 9.776 1.00 0.00 C ATOM 637 C SER A 49 8.345 -6.837 9.720 1.00 0.00 C ATOM 638 O SER A 49 8.896 -5.902 10.301 1.00 0.00 O ATOM 639 CB SER A 49 9.744 -8.523 8.513 1.00 0.00 C ATOM 640 OG SER A 49 10.330 -9.813 8.558 1.00 0.00 O ATOM 0 H SER A 49 7.912 -10.003 9.250 1.00 0.00 H new ATOM 0 HA SER A 49 9.581 -8.316 10.645 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.102 -8.442 7.636 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.524 -7.769 8.408 1.00 0.00 H new ATOM 0 HG SER A 49 10.846 -9.967 7.739 1.00 0.00 H new ATOM 646 N CYS A 50 7.227 -6.694 9.016 1.00 0.00 N ATOM 647 CA CYS A 50 6.569 -5.399 8.882 1.00 0.00 C ATOM 648 C CYS A 50 5.933 -4.973 10.201 1.00 0.00 C ATOM 649 O CYS A 50 5.471 -5.810 10.976 1.00 0.00 O ATOM 650 CB CYS A 50 5.505 -5.456 7.784 1.00 0.00 C ATOM 651 SG CYS A 50 6.154 -5.210 6.114 1.00 0.00 S ATOM 0 H CYS A 50 6.758 -7.458 8.530 1.00 0.00 H new ATOM 0 HA CYS A 50 7.324 -4.662 8.609 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.004 -6.423 7.829 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.750 -4.696 7.985 1.00 0.00 H new ATOM 0 HG CYS A 50 7.173 -5.995 5.925 1.00 0.00 H new ATOM 657 N GLN A 51 5.915 -3.668 10.449 1.00 0.00 N ATOM 658 CA GLN A 51 5.338 -3.131 11.676 1.00 0.00 C ATOM 659 C GLN A 51 3.821 -3.020 11.561 1.00 0.00 C ATOM 660 O GLN A 51 3.274 -2.969 10.460 1.00 0.00 O ATOM 661 CB GLN A 51 5.939 -1.761 11.991 1.00 0.00 C ATOM 662 CG GLN A 51 5.739 -1.325 13.434 1.00 0.00 C ATOM 663 CD GLN A 51 6.066 -2.424 14.426 1.00 0.00 C ATOM 664 OE1 GLN A 51 5.173 -3.087 14.953 1.00 0.00 O ATOM 665 NE2 GLN A 51 7.353 -2.623 14.686 1.00 0.00 N ATOM 0 H GLN A 51 6.293 -2.963 9.817 1.00 0.00 H new ATOM 0 HA GLN A 51 5.573 -3.818 12.489 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.006 -1.783 11.772 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.493 -1.017 11.331 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.367 -0.458 13.638 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.705 -1.010 13.574 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.061 -2.050 14.226 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.634 -3.349 15.345 1.00 0.00 H new ATOM 674 N VAL A 52 3.147 -2.982 12.706 1.00 0.00 N ATOM 675 CA VAL A 52 1.693 -2.876 12.734 1.00 0.00 C ATOM 676 C VAL A 52 1.232 -1.931 13.838 1.00 0.00 C ATOM 677 O VAL A 52 1.714 -2.000 14.968 1.00 0.00 O ATOM 678 CB VAL A 52 1.034 -4.252 12.943 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.480 -4.117 12.997 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.452 -5.216 11.843 1.00 0.00 C ATOM 0 H VAL A 52 3.585 -3.023 13.626 1.00 0.00 H new ATOM 0 HA VAL A 52 1.386 -2.478 11.767 1.00 0.00 H new ATOM 0 HB VAL A 52 1.373 -4.656 13.897 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.928 -5.100 13.145 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.758 -3.463 13.824 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.841 -3.691 12.061 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.977 -6.183 12.007 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.144 -4.820 10.875 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.535 -5.337 11.857 1.00 0.00 H new ATOM 690 N GLU A 53 0.296 -1.049 13.501 1.00 0.00 N ATOM 691 CA GLU A 53 -0.230 -0.089 14.465 1.00 0.00 C ATOM 692 C GLU A 53 -1.504 -0.617 15.119 1.00 0.00 C ATOM 693 O GLU A 53 -2.072 -1.615 14.679 1.00 0.00 O ATOM 694 CB GLU A 53 -0.512 1.250 13.782 1.00 0.00 C ATOM 695 CG GLU A 53 -0.460 2.439 14.728 1.00 0.00 C ATOM 696 CD GLU A 53 -0.452 3.767 13.996 1.00 0.00 C ATOM 697 OE1 GLU A 53 -0.885 3.801 12.825 1.00 0.00 O ATOM 698 OE2 GLU A 53 -0.013 4.771 14.593 1.00 0.00 O ATOM 0 H GLU A 53 -0.113 -0.979 12.569 1.00 0.00 H new ATOM 0 HA GLU A 53 0.522 0.058 15.240 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.214 1.400 12.983 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.496 1.210 13.316 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.319 2.403 15.398 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.433 2.365 15.349 1.00 0.00 H new ATOM 705 N ASN A 54 -1.945 0.061 16.174 1.00 0.00 N ATOM 706 CA ASN A 54 -3.150 -0.340 16.891 1.00 0.00 C ATOM 707 C ASN A 54 -4.328 -0.492 15.932 1.00 0.00 C ATOM 708 O ASN A 54 -4.873 0.496 15.441 1.00 0.00 O ATOM 709 CB ASN A 54 -3.489 0.685 17.974 1.00 0.00 C ATOM 710 CG ASN A 54 -4.650 0.244 18.845 1.00 0.00 C ATOM 711 OD1 ASN A 54 -4.665 -0.874 19.360 1.00 0.00 O ATOM 712 ND2 ASN A 54 -5.631 1.124 19.013 1.00 0.00 N ATOM 0 H ASN A 54 -1.486 0.890 16.551 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.959 -1.305 17.361 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.612 0.852 18.600 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.732 1.638 17.505 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.438 0.884 19.588 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.577 2.040 18.567 1.00 0.00 H new ATOM 719 N GLY A 55 -4.715 -1.736 15.671 1.00 0.00 N ATOM 720 CA GLY A 55 -5.826 -1.995 14.773 1.00 0.00 C ATOM 721 C GLY A 55 -5.648 -1.327 13.424 1.00 0.00 C ATOM 722 O GLY A 55 -6.618 -1.114 12.697 1.00 0.00 O ATOM 0 H GLY A 55 -4.279 -2.570 16.065 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.932 -3.071 14.631 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.750 -1.641 15.231 1.00 0.00 H new ATOM 726 N ARG A 56 -4.405 -0.995 13.090 1.00 0.00 N ATOM 727 CA ARG A 56 -4.104 -0.344 11.820 1.00 0.00 C ATOM 728 C ARG A 56 -2.648 -0.572 11.424 1.00 0.00 C ATOM 729 O ARG A 56 -1.824 -0.966 12.250 1.00 0.00 O ATOM 730 CB ARG A 56 -4.390 1.156 11.910 1.00 0.00 C ATOM 731 CG ARG A 56 -4.794 1.780 10.584 1.00 0.00 C ATOM 732 CD ARG A 56 -5.504 3.109 10.787 1.00 0.00 C ATOM 733 NE ARG A 56 -6.668 2.980 11.659 1.00 0.00 N ATOM 734 CZ ARG A 56 -7.865 2.592 11.234 1.00 0.00 C ATOM 735 NH1 ARG A 56 -8.054 2.296 9.956 1.00 0.00 N ATOM 736 NH2 ARG A 56 -8.876 2.499 12.089 1.00 0.00 N ATOM 0 H ARG A 56 -3.591 -1.166 13.680 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.744 -0.783 11.055 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.185 1.323 12.637 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.502 1.665 12.286 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.908 1.930 9.966 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.448 1.096 10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.808 3.830 11.216 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.817 3.504 9.821 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.556 3.200 12.649 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.279 2.366 9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.974 1.998 9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.734 2.726 13.073 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.795 2.201 11.762 1.00 0.00 H new ATOM 750 N VAL A 57 -2.339 -0.323 10.156 1.00 0.00 N ATOM 751 CA VAL A 57 -0.983 -0.500 9.650 1.00 0.00 C ATOM 752 C VAL A 57 -0.658 0.531 8.575 1.00 0.00 C ATOM 753 O VAL A 57 -1.527 0.928 7.799 1.00 0.00 O ATOM 754 CB VAL A 57 -0.780 -1.912 9.070 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.422 -2.022 7.695 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.700 -2.254 9.005 1.00 0.00 C ATOM 0 H VAL A 57 -3.010 0.002 9.460 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.310 -0.363 10.496 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.266 -2.630 9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.268 -3.027 7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.491 -1.823 7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.968 -1.295 7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.824 -3.255 8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.212 -1.533 8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.126 -2.219 10.008 1.00 0.00 H new ATOM 766 N ILE A 58 0.599 0.960 8.536 1.00 0.00 N ATOM 767 CA ILE A 58 1.039 1.944 7.554 1.00 0.00 C ATOM 768 C ILE A 58 1.610 1.265 6.314 1.00 0.00 C ATOM 769 O ILE A 58 2.274 0.233 6.407 1.00 0.00 O ATOM 770 CB ILE A 58 2.103 2.889 8.143 1.00 0.00 C ATOM 771 CG1 ILE A 58 1.512 3.703 9.296 1.00 0.00 C ATOM 772 CG2 ILE A 58 2.649 3.810 7.063 1.00 0.00 C ATOM 773 CD1 ILE A 58 2.557 4.348 10.179 1.00 0.00 C ATOM 0 H ILE A 58 1.330 0.642 9.172 1.00 0.00 H new ATOM 0 HA ILE A 58 0.161 2.527 7.275 1.00 0.00 H new ATOM 0 HB ILE A 58 2.926 2.289 8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.864 4.479 8.888 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.885 3.052 9.905 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.400 4.472 7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.103 3.214 6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.836 4.406 6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.066 4.908 10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.190 3.576 10.617 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.169 5.025 9.583 1.00 0.00 H new ATOM 785 N ALA A 59 1.347 1.853 5.151 1.00 0.00 N ATOM 786 CA ALA A 59 1.837 1.308 3.891 1.00 0.00 C ATOM 787 C ALA A 59 3.172 1.935 3.504 1.00 0.00 C ATOM 788 O ALA A 59 3.495 3.044 3.930 1.00 0.00 O ATOM 789 CB ALA A 59 0.811 1.523 2.788 1.00 0.00 C ATOM 0 H ALA A 59 0.797 2.707 5.056 1.00 0.00 H new ATOM 0 HA ALA A 59 1.993 0.237 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.190 1.111 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.120 1.022 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.626 2.590 2.666 1.00 0.00 H new ATOM 795 N CYS A 60 3.945 1.217 2.695 1.00 0.00 N ATOM 796 CA CYS A 60 5.246 1.702 2.251 1.00 0.00 C ATOM 797 C CYS A 60 5.092 2.719 1.123 1.00 0.00 C ATOM 798 O CYS A 60 4.114 2.689 0.376 1.00 0.00 O ATOM 799 CB CYS A 60 6.117 0.534 1.785 1.00 0.00 C ATOM 800 SG CYS A 60 7.762 1.029 1.179 1.00 0.00 S ATOM 0 H CYS A 60 3.692 0.297 2.334 1.00 0.00 H new ATOM 0 HA CYS A 60 5.730 2.193 3.095 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.241 -0.165 2.612 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.595 -0.001 0.991 1.00 0.00 H new ATOM 0 HG CYS A 60 8.680 0.403 1.854 1.00 0.00 H new ATOM 805 N PHE A 61 6.064 3.617 1.007 1.00 0.00 N ATOM 806 CA PHE A 61 6.037 4.643 -0.029 1.00 0.00 C ATOM 807 C PHE A 61 6.552 4.091 -1.355 1.00 0.00 C ATOM 808 O PHE A 61 5.847 4.112 -2.364 1.00 0.00 O ATOM 809 CB PHE A 61 6.879 5.848 0.396 1.00 0.00 C ATOM 810 CG PHE A 61 7.213 6.775 -0.738 1.00 0.00 C ATOM 811 CD1 PHE A 61 6.252 7.625 -1.262 1.00 0.00 C ATOM 812 CD2 PHE A 61 8.488 6.797 -1.280 1.00 0.00 C ATOM 813 CE1 PHE A 61 6.556 8.479 -2.305 1.00 0.00 C ATOM 814 CE2 PHE A 61 8.798 7.650 -2.322 1.00 0.00 C ATOM 815 CZ PHE A 61 7.830 8.491 -2.836 1.00 0.00 C ATOM 0 H PHE A 61 6.880 3.655 1.617 1.00 0.00 H new ATOM 0 HA PHE A 61 5.003 4.960 -0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.341 6.405 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.804 5.493 0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.254 7.620 -0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.248 6.140 -0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.798 9.136 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.796 7.659 -2.734 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.070 9.157 -3.652 1.00 0.00 H new ATOM 825 N ASP A 62 7.786 3.598 -1.344 1.00 0.00 N ATOM 826 CA ASP A 62 8.396 3.040 -2.545 1.00 0.00 C ATOM 827 C ASP A 62 7.531 1.926 -3.127 1.00 0.00 C ATOM 828 O ASP A 62 7.224 1.924 -4.319 1.00 0.00 O ATOM 829 CB ASP A 62 9.794 2.505 -2.231 1.00 0.00 C ATOM 830 CG ASP A 62 10.847 3.596 -2.237 1.00 0.00 C ATOM 831 OD1 ASP A 62 11.084 4.197 -1.168 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.433 3.849 -3.310 1.00 0.00 O ATOM 0 H ASP A 62 8.383 3.574 -0.517 1.00 0.00 H new ATOM 0 HA ASP A 62 8.477 3.836 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.783 2.020 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.061 1.743 -2.963 1.00 0.00 H new ATOM 837 N SER A 63 7.142 0.981 -2.278 1.00 0.00 N ATOM 838 CA SER A 63 6.316 -0.141 -2.709 1.00 0.00 C ATOM 839 C SER A 63 5.263 0.314 -3.715 1.00 0.00 C ATOM 840 O SER A 63 5.051 -0.328 -4.744 1.00 0.00 O ATOM 841 CB SER A 63 5.638 -0.795 -1.504 1.00 0.00 C ATOM 842 OG SER A 63 4.580 0.011 -1.015 1.00 0.00 O ATOM 0 H SER A 63 7.385 0.970 -1.288 1.00 0.00 H new ATOM 0 HA SER A 63 6.964 -0.872 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.252 -1.774 -1.787 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.371 -0.957 -0.714 1.00 0.00 H new ATOM 0 HG SER A 63 3.722 -0.421 -1.210 1.00 0.00 H new ATOM 848 N LEU A 64 4.605 1.427 -3.409 1.00 0.00 N ATOM 849 CA LEU A 64 3.573 1.971 -4.285 1.00 0.00 C ATOM 850 C LEU A 64 4.035 1.968 -5.738 1.00 0.00 C ATOM 851 O LEU A 64 3.283 1.597 -6.640 1.00 0.00 O ATOM 852 CB LEU A 64 3.209 3.394 -3.856 1.00 0.00 C ATOM 853 CG LEU A 64 2.773 3.565 -2.401 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.673 5.040 -2.044 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.444 2.864 -2.156 1.00 0.00 C ATOM 0 H LEU A 64 4.768 1.970 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 64 2.690 1.337 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.071 4.037 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.405 3.752 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 64 3.526 3.107 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.361 5.142 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.645 5.514 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.941 5.522 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.149 2.996 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.681 3.292 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.548 1.801 -2.371 1.00 0.00 H new ATOM 867 N LYS A 65 5.278 2.382 -5.959 1.00 0.00 N ATOM 868 CA LYS A 65 5.844 2.425 -7.303 1.00 0.00 C ATOM 869 C LYS A 65 5.999 1.018 -7.872 1.00 0.00 C ATOM 870 O LYS A 65 5.916 0.816 -9.083 1.00 0.00 O ATOM 871 CB LYS A 65 7.201 3.132 -7.285 1.00 0.00 C ATOM 872 CG LYS A 65 7.104 4.627 -7.036 1.00 0.00 C ATOM 873 CD LYS A 65 6.999 4.940 -5.553 1.00 0.00 C ATOM 874 CE LYS A 65 7.508 6.339 -5.241 1.00 0.00 C ATOM 875 NZ LYS A 65 8.980 6.451 -5.438 1.00 0.00 N ATOM 0 H LYS A 65 5.914 2.693 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 65 5.159 2.983 -7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.825 2.683 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.702 2.963 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.980 5.124 -7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.234 5.028 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.961 4.850 -5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.572 4.208 -4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.000 7.061 -5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.259 6.595 -4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.417 6.836 -4.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.376 5.510 -5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.176 7.086 -6.238 1.00 0.00 H new ATOM 889 N GLY A 66 6.223 0.049 -6.990 1.00 0.00 N ATOM 890 CA GLY A 66 6.385 -1.326 -7.425 1.00 0.00 C ATOM 891 C GLY A 66 7.790 -1.845 -7.197 1.00 0.00 C ATOM 892 O GLY A 66 8.039 -3.047 -7.295 1.00 0.00 O ATOM 0 H GLY A 66 6.295 0.191 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.676 -1.959 -6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.142 -1.399 -8.485 1.00 0.00 H new ATOM 896 N ARG A 67 8.712 -0.938 -6.893 1.00 0.00 N ATOM 897 CA ARG A 67 10.101 -1.310 -6.653 1.00 0.00 C ATOM 898 C ARG A 67 10.610 -0.703 -5.349 1.00 0.00 C ATOM 899 O ARG A 67 10.885 0.495 -5.275 1.00 0.00 O ATOM 900 CB ARG A 67 10.982 -0.855 -7.818 1.00 0.00 C ATOM 901 CG ARG A 67 10.590 -1.465 -9.153 1.00 0.00 C ATOM 902 CD ARG A 67 11.516 -1.007 -10.269 1.00 0.00 C ATOM 903 NE ARG A 67 11.200 0.344 -10.723 1.00 0.00 N ATOM 904 CZ ARG A 67 10.127 0.643 -11.448 1.00 0.00 C ATOM 905 NH1 ARG A 67 9.273 -0.308 -11.798 1.00 0.00 N ATOM 906 NH2 ARG A 67 9.907 1.897 -11.823 1.00 0.00 N ATOM 0 H ARG A 67 8.522 0.060 -6.807 1.00 0.00 H new ATOM 0 HA ARG A 67 10.150 -2.396 -6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.933 0.231 -7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.019 -1.113 -7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.617 -2.552 -9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.564 -1.188 -9.394 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.548 -1.040 -9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.441 -1.698 -11.109 1.00 0.00 H new ATOM 0 HE ARG A 67 11.837 1.099 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.438 -1.273 -11.511 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.450 -0.075 -12.354 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.562 2.632 -11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.083 2.126 -12.379 1.00 0.00 H new ATOM 920 N CYS A 68 10.732 -1.537 -4.322 1.00 0.00 N ATOM 921 CA CYS A 68 11.206 -1.084 -3.020 1.00 0.00 C ATOM 922 C CYS A 68 12.682 -1.421 -2.831 1.00 0.00 C ATOM 923 O CYS A 68 13.160 -2.452 -3.305 1.00 0.00 O ATOM 924 CB CYS A 68 10.379 -1.721 -1.902 1.00 0.00 C ATOM 925 SG CYS A 68 10.805 -1.131 -0.232 1.00 0.00 S ATOM 0 H CYS A 68 10.509 -2.531 -4.366 1.00 0.00 H new ATOM 0 HA CYS A 68 11.090 -0.001 -2.976 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.323 -1.522 -2.087 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.511 -2.802 -1.938 1.00 0.00 H new ATOM 0 HG CYS A 68 9.832 -0.405 0.233 1.00 0.00 H new ATOM 930 N SER A 69 13.399 -0.545 -2.134 1.00 0.00 N ATOM 931 CA SER A 69 14.822 -0.748 -1.885 1.00 0.00 C ATOM 932 C SER A 69 15.051 -1.347 -0.501 1.00 0.00 C ATOM 933 O SER A 69 15.662 -2.406 -0.364 1.00 0.00 O ATOM 934 CB SER A 69 15.577 0.577 -2.012 1.00 0.00 C ATOM 935 OG SER A 69 15.765 0.929 -3.371 1.00 0.00 O ATOM 0 H SER A 69 13.018 0.312 -1.732 1.00 0.00 H new ATOM 0 HA SER A 69 15.201 -1.447 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.023 1.365 -1.502 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.545 0.497 -1.517 1.00 0.00 H new ATOM 0 HG SER A 69 16.248 1.780 -3.425 1.00 0.00 H new ATOM 941 N ARG A 70 14.555 -0.660 0.523 1.00 0.00 N ATOM 942 CA ARG A 70 14.706 -1.122 1.898 1.00 0.00 C ATOM 943 C ARG A 70 14.647 -2.645 1.969 1.00 0.00 C ATOM 944 O ARG A 70 13.602 -3.247 1.723 1.00 0.00 O ATOM 945 CB ARG A 70 13.616 -0.517 2.785 1.00 0.00 C ATOM 946 CG ARG A 70 13.934 0.889 3.266 1.00 0.00 C ATOM 947 CD ARG A 70 12.711 1.560 3.871 1.00 0.00 C ATOM 948 NE ARG A 70 12.742 3.011 3.701 1.00 0.00 N ATOM 949 CZ ARG A 70 11.925 3.843 4.337 1.00 0.00 C ATOM 950 NH1 ARG A 70 11.017 3.370 5.180 1.00 0.00 N ATOM 951 NH2 ARG A 70 12.015 5.150 4.130 1.00 0.00 N ATOM 0 H ARG A 70 14.045 0.218 0.427 1.00 0.00 H new ATOM 0 HA ARG A 70 15.681 -0.796 2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.677 -0.499 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.464 -1.162 3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.733 0.849 4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 70 14.302 1.486 2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.810 1.160 3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.654 1.321 4.933 1.00 0.00 H new ATOM 0 HE ARG A 70 13.429 3.407 3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.945 2.365 5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.391 4.011 5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.712 5.517 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.387 5.788 4.619 1.00 0.00 H new ATOM 965 N GLU A 71 15.775 -3.262 2.306 1.00 0.00 N ATOM 966 CA GLU A 71 15.851 -4.714 2.407 1.00 0.00 C ATOM 967 C GLU A 71 14.801 -5.247 3.377 1.00 0.00 C ATOM 968 O GLU A 71 13.891 -5.976 2.984 1.00 0.00 O ATOM 969 CB GLU A 71 17.247 -5.144 2.863 1.00 0.00 C ATOM 970 CG GLU A 71 17.461 -6.648 2.834 1.00 0.00 C ATOM 971 CD GLU A 71 18.927 -7.030 2.889 1.00 0.00 C ATOM 972 OE1 GLU A 71 19.738 -6.373 2.204 1.00 0.00 O ATOM 973 OE2 GLU A 71 19.264 -7.987 3.618 1.00 0.00 O ATOM 0 H GLU A 71 16.649 -2.779 2.514 1.00 0.00 H new ATOM 0 HA GLU A 71 15.655 -5.132 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.991 -4.667 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.417 -4.781 3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.939 -7.102 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.017 -7.057 1.927 1.00 0.00 H new ATOM 980 N ASN A 72 14.935 -4.878 4.647 1.00 0.00 N ATOM 981 CA ASN A 72 13.998 -5.320 5.674 1.00 0.00 C ATOM 982 C ASN A 72 12.930 -4.261 5.928 1.00 0.00 C ATOM 983 O ASN A 72 12.555 -4.002 7.072 1.00 0.00 O ATOM 984 CB ASN A 72 14.744 -5.629 6.974 1.00 0.00 C ATOM 985 CG ASN A 72 14.025 -6.661 7.822 1.00 0.00 C ATOM 986 OD1 ASN A 72 14.440 -7.817 7.896 1.00 0.00 O ATOM 987 ND2 ASN A 72 12.940 -6.245 8.465 1.00 0.00 N ATOM 0 H ASN A 72 15.683 -4.275 4.989 1.00 0.00 H new ATOM 0 HA ASN A 72 13.508 -6.227 5.318 1.00 0.00 H new ATOM 0 HB2 ASN A 72 15.745 -5.990 6.738 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.864 -4.710 7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.414 -6.894 9.050 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.633 -5.277 8.374 1.00 0.00 H new ATOM 994 N CYS A 73 12.442 -3.652 4.852 1.00 0.00 N ATOM 995 CA CYS A 73 11.416 -2.621 4.956 1.00 0.00 C ATOM 996 C CYS A 73 10.452 -2.926 6.099 1.00 0.00 C ATOM 997 O CYS A 73 9.923 -4.032 6.202 1.00 0.00 O ATOM 998 CB CYS A 73 10.643 -2.506 3.640 1.00 0.00 C ATOM 999 SG CYS A 73 9.555 -1.049 3.541 1.00 0.00 S ATOM 0 H CYS A 73 12.741 -3.855 3.898 1.00 0.00 H new ATOM 0 HA CYS A 73 11.910 -1.672 5.164 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.355 -2.471 2.815 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.042 -3.405 3.505 1.00 0.00 H new ATOM 0 HG CYS A 73 8.314 -1.435 3.520 1.00 0.00 H new ATOM 1004 N LYS A 74 10.229 -1.936 6.957 1.00 0.00 N ATOM 1005 CA LYS A 74 9.328 -2.095 8.092 1.00 0.00 C ATOM 1006 C LYS A 74 7.901 -1.715 7.712 1.00 0.00 C ATOM 1007 O LYS A 74 7.022 -1.629 8.570 1.00 0.00 O ATOM 1008 CB LYS A 74 9.800 -1.237 9.268 1.00 0.00 C ATOM 1009 CG LYS A 74 10.445 0.072 8.846 1.00 0.00 C ATOM 1010 CD LYS A 74 11.955 -0.060 8.736 1.00 0.00 C ATOM 1011 CE LYS A 74 12.624 1.299 8.599 1.00 0.00 C ATOM 1012 NZ LYS A 74 12.562 2.077 9.867 1.00 0.00 N ATOM 0 H LYS A 74 10.660 -1.014 6.888 1.00 0.00 H new ATOM 0 HA LYS A 74 9.339 -3.144 8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.949 -1.021 9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.513 -1.809 9.861 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.036 0.388 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.199 0.850 9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.342 -0.570 9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.206 -0.679 7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.665 1.164 8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.140 1.864 7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.233 2.870 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.599 2.446 10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.811 1.459 10.666 1.00 0.00 H new ATOM 1026 N TYR A 75 7.677 -1.488 6.423 1.00 0.00 N ATOM 1027 CA TYR A 75 6.356 -1.116 5.930 1.00 0.00 C ATOM 1028 C TYR A 75 5.797 -2.192 5.004 1.00 0.00 C ATOM 1029 O TYR A 75 6.528 -2.785 4.209 1.00 0.00 O ATOM 1030 CB TYR A 75 6.423 0.223 5.193 1.00 0.00 C ATOM 1031 CG TYR A 75 6.847 1.377 6.072 1.00 0.00 C ATOM 1032 CD1 TYR A 75 5.908 2.126 6.771 1.00 0.00 C ATOM 1033 CD2 TYR A 75 8.187 1.719 6.205 1.00 0.00 C ATOM 1034 CE1 TYR A 75 6.291 3.182 7.575 1.00 0.00 C ATOM 1035 CE2 TYR A 75 8.579 2.773 7.008 1.00 0.00 C ATOM 1036 CZ TYR A 75 7.627 3.501 7.690 1.00 0.00 C ATOM 1037 OH TYR A 75 8.013 4.552 8.491 1.00 0.00 O ATOM 0 H TYR A 75 8.393 -1.555 5.700 1.00 0.00 H new ATOM 0 HA TYR A 75 5.690 -1.019 6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.121 0.136 4.361 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.444 0.443 4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.860 1.878 6.684 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.935 1.151 5.672 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.548 3.754 8.110 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.625 3.025 7.101 1.00 0.00 H new ATOM 0 HH TYR A 75 8.988 4.643 8.463 1.00 0.00 H new ATOM 1047 N LEU A 76 4.496 -2.438 5.111 1.00 0.00 N ATOM 1048 CA LEU A 76 3.837 -3.442 4.283 1.00 0.00 C ATOM 1049 C LEU A 76 3.586 -2.908 2.877 1.00 0.00 C ATOM 1050 O LEU A 76 3.351 -1.715 2.686 1.00 0.00 O ATOM 1051 CB LEU A 76 2.514 -3.869 4.922 1.00 0.00 C ATOM 1052 CG LEU A 76 1.504 -4.540 3.990 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.911 -5.978 3.710 1.00 0.00 C ATOM 1054 CD2 LEU A 76 0.107 -4.486 4.591 1.00 0.00 C ATOM 0 H LEU A 76 3.877 -1.956 5.763 1.00 0.00 H new ATOM 0 HA LEU A 76 4.495 -4.308 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.734 -4.554 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.044 -2.988 5.360 1.00 0.00 H new ATOM 0 HG LEU A 76 1.492 -3.997 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.181 -6.440 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.893 -5.993 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.951 -6.534 4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.599 -4.968 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.103 -5.005 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.185 -3.446 4.740 1.00 0.00 H new ATOM 1066 N HIS A 77 3.637 -3.801 1.893 1.00 0.00 N ATOM 1067 CA HIS A 77 3.413 -3.421 0.503 1.00 0.00 C ATOM 1068 C HIS A 77 2.026 -3.856 0.037 1.00 0.00 C ATOM 1069 O HIS A 77 1.813 -4.996 -0.376 1.00 0.00 O ATOM 1070 CB HIS A 77 4.483 -4.040 -0.396 1.00 0.00 C ATOM 1071 CG HIS A 77 5.877 -3.624 -0.042 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.362 -2.997 1.055 1.00 0.00 N flip ATOM 1073 CD2 HIS A 77 6.960 -3.842 -0.867 1.00 0.00 C flip ATOM 1074 CE1 HIS A 77 7.716 -2.850 0.876 1.00 0.00 C flip ATOM 1075 NE2 HIS A 77 8.051 -3.369 -0.292 1.00 0.00 N flip ATOM 0 H HIS A 77 3.831 -4.792 2.033 1.00 0.00 H new ATOM 0 HA HIS A 77 3.476 -2.335 0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.411 -5.126 -0.338 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.282 -3.762 -1.431 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.922 -4.324 -1.833 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.396 -2.386 1.576 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.992 -3.399 -0.683 1.00 0.00 H new ATOM 1083 N PRO A 78 1.060 -2.928 0.106 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.322 -3.192 -0.304 1.00 0.00 C ATOM 1085 C PRO A 78 -0.457 -3.362 -1.814 1.00 0.00 C ATOM 1086 O PRO A 78 0.291 -2.777 -2.598 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.075 -1.944 0.163 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.043 -0.871 0.203 1.00 0.00 C ATOM 1089 CD PRO A 78 1.243 -1.548 0.588 1.00 0.00 C ATOM 0 HA PRO A 78 -0.703 -4.121 0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.884 -1.690 -0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.525 -2.097 1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.049 -0.381 -0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.310 -0.100 0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.104 -1.070 0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.407 -1.517 1.665 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.432 -4.182 -2.233 1.00 0.00 N ATOM 1098 CA PRO A 79 -1.688 -4.447 -3.652 1.00 0.00 C ATOM 1099 C PRO A 79 -2.263 -3.233 -4.374 1.00 0.00 C ATOM 1100 O PRO A 79 -2.597 -2.226 -3.748 1.00 0.00 O ATOM 1101 CB PRO A 79 -2.710 -5.586 -3.621 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.396 -5.444 -2.306 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.360 -4.913 -1.354 1.00 0.00 C ATOM 0 HA PRO A 79 -0.774 -4.691 -4.193 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.417 -5.506 -4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.223 -6.557 -3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.244 -4.763 -2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.786 -6.403 -1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.802 -4.258 -0.603 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.856 -5.718 -0.818 1.00 0.00 H new ATOM 1111 N THR A 80 -2.379 -3.335 -5.694 1.00 0.00 N ATOM 1112 CA THR A 80 -2.913 -2.246 -6.501 1.00 0.00 C ATOM 1113 C THR A 80 -4.393 -2.021 -6.210 1.00 0.00 C ATOM 1114 O THR A 80 -4.824 -0.893 -5.968 1.00 0.00 O ATOM 1115 CB THR A 80 -2.734 -2.521 -8.006 1.00 0.00 C ATOM 1116 OG1 THR A 80 -1.451 -3.112 -8.246 1.00 0.00 O ATOM 1117 CG2 THR A 80 -2.865 -1.237 -8.810 1.00 0.00 C ATOM 0 H THR A 80 -2.110 -4.162 -6.227 1.00 0.00 H new ATOM 0 HA THR A 80 -2.352 -1.350 -6.234 1.00 0.00 H new ATOM 0 HB THR A 80 -3.517 -3.210 -8.323 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.345 -3.286 -9.205 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.735 -1.456 -9.870 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.852 -0.805 -8.647 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.102 -0.528 -8.490 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.167 -3.101 -6.236 1.00 0.00 N ATOM 1126 CA HIS A 81 -6.599 -3.022 -5.973 1.00 0.00 C ATOM 1127 C HIS A 81 -6.872 -2.291 -4.662 1.00 0.00 C ATOM 1128 O HIS A 81 -7.969 -1.778 -4.441 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.210 -4.423 -5.926 1.00 0.00 C ATOM 1130 CG HIS A 81 -6.673 -5.273 -4.816 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.101 -5.442 -3.544 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -5.560 -6.076 -4.954 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.249 -6.335 -2.942 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -5.328 -6.703 -3.815 1.00 0.00 N flip ATOM 0 H HIS A 81 -4.826 -4.041 -6.437 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.061 -2.460 -6.785 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.291 -4.336 -5.816 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.026 -4.923 -6.877 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.907 -4.990 -3.112 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -4.970 -6.176 -5.853 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.320 -6.680 -1.921 1.00 0.00 H new ATOM 1142 N LEU A 82 -5.866 -2.249 -3.794 1.00 0.00 N ATOM 1143 CA LEU A 82 -5.997 -1.582 -2.503 1.00 0.00 C ATOM 1144 C LEU A 82 -5.434 -0.166 -2.563 1.00 0.00 C ATOM 1145 O LEU A 82 -6.002 0.765 -1.990 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.278 -2.384 -1.417 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.037 -3.588 -0.858 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.184 -4.332 0.157 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.351 -3.145 -0.231 1.00 0.00 C ATOM 0 H LEU A 82 -4.951 -2.669 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.058 -1.522 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.328 -2.734 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.045 -1.712 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.261 -4.267 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.741 -5.186 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.270 -4.682 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.929 -3.662 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.878 -4.014 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.149 -2.446 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.968 -2.657 -0.986 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.314 -0.009 -3.261 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.675 1.294 -3.399 1.00 0.00 C ATOM 1163 C LYS A 83 -4.715 2.394 -3.586 1.00 0.00 C ATOM 1164 O LYS A 83 -4.546 3.513 -3.100 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.706 1.287 -4.584 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.298 0.851 -4.216 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.268 1.432 -5.169 1.00 0.00 C ATOM 1168 CE LYS A 83 -0.044 0.525 -6.369 1.00 0.00 C ATOM 1169 NZ LYS A 83 0.392 -0.839 -5.960 1.00 0.00 N ATOM 0 H LYS A 83 -3.830 -0.769 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.119 1.496 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.093 0.621 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.666 2.287 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.072 1.168 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.237 -0.237 -4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.599 2.413 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.675 1.579 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.965 0.454 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.709 0.966 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.257 -1.097 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.584 -0.850 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.360 -1.524 -6.179 1.00 0.00 H new ATOM 1183 N THR A 84 -5.793 2.068 -4.293 1.00 0.00 N ATOM 1184 CA THR A 84 -6.861 3.028 -4.544 1.00 0.00 C ATOM 1185 C THR A 84 -7.326 3.684 -3.249 1.00 0.00 C ATOM 1186 O THR A 84 -7.349 4.910 -3.138 1.00 0.00 O ATOM 1187 CB THR A 84 -8.067 2.359 -5.230 1.00 0.00 C ATOM 1188 OG1 THR A 84 -7.667 1.793 -6.483 1.00 0.00 O ATOM 1189 CG2 THR A 84 -9.187 3.364 -5.455 1.00 0.00 C ATOM 0 H THR A 84 -5.949 1.147 -4.702 1.00 0.00 H new ATOM 0 HA THR A 84 -6.452 3.790 -5.207 1.00 0.00 H new ATOM 0 HB THR A 84 -8.436 1.568 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.439 1.368 -6.912 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.028 2.869 -5.941 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.509 3.770 -4.496 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.827 4.174 -6.090 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.694 2.861 -2.273 1.00 0.00 N ATOM 1198 CA GLN A 85 -8.158 3.363 -0.985 1.00 0.00 C ATOM 1199 C GLN A 85 -7.295 4.528 -0.512 1.00 0.00 C ATOM 1200 O GLN A 85 -7.809 5.548 -0.049 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.142 2.245 0.058 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.434 1.445 0.112 1.00 0.00 C ATOM 1203 CD GLN A 85 -9.253 0.088 0.763 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -9.605 -0.942 0.185 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -8.702 0.079 1.971 1.00 0.00 N ATOM 0 H GLN A 85 -7.680 1.844 -2.349 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.181 3.719 -1.110 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.315 1.569 -0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.951 2.678 1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.185 2.011 0.663 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.816 1.310 -0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.426 0.956 2.412 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.555 -0.805 2.458 1.00 0.00 H new ATOM 1214 N LEU A 86 -5.981 4.371 -0.630 1.00 0.00 N ATOM 1215 CA LEU A 86 -5.046 5.410 -0.214 1.00 0.00 C ATOM 1216 C LEU A 86 -5.212 6.665 -1.065 1.00 0.00 C ATOM 1217 O LEU A 86 -5.184 7.783 -0.551 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.607 4.899 -0.314 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.243 3.734 0.608 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.973 3.051 0.127 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -3.081 4.220 2.041 1.00 0.00 C ATOM 0 H LEU A 86 -5.539 3.534 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.263 5.665 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.422 4.593 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.932 5.729 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.054 3.006 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.729 2.225 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.125 2.669 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.153 3.769 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.822 3.378 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.288 4.967 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.016 4.663 2.383 1.00 0.00 H new