USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=21 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 60 CYS SG : rot 124:sc= 1.36 USER MOD Set 1.2: A 68 CYS SG : rot 117:sc= -0.423 USER MOD Set 1.3: A 73 CYS SG : rot -105:sc= 1.52 USER MOD Set 1.4: A 77 HIS : no HD1:sc= -2.89 X(o=-0.44,f=-0.42) USER MOD Set 2.1: A 26 CYS SG : rot 135:sc= 0.229 USER MOD Set 2.2: A 34 CYS SG : rot -152:sc= 0.765 USER MOD Set 2.3: A 41 CYS SG : rot 152:sc= 0.0256 USER MOD Set 2.4: A 45 HIS :FLIP no HD1:sc= -1.11 F(o=-4.8,f=-0.093) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.2) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc=0.000981 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc=-0.000461 (180deg=-0.106) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -50:sc= -3.36 USER MOD Single : A 51 GLN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot -59:sc= -0.211 USER MOD Single : A 65 LYS NZ :NH3+ 147:sc= -0.199 (180deg=-1.41!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.629 K(o=-0.63,f=-3.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -12.5! C(o=-15!,f=-13!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -1.068 7.364 4.443 1.00 0.00 N ATOM 193 CA LEU A 21 -0.393 6.140 4.025 1.00 0.00 C ATOM 194 C LEU A 21 -0.676 5.002 5.001 1.00 0.00 C ATOM 195 O LEU A 21 0.214 4.217 5.331 1.00 0.00 O ATOM 196 CB LEU A 21 1.114 6.375 3.920 1.00 0.00 C ATOM 197 CG LEU A 21 1.574 7.294 2.788 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.964 7.840 3.074 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.552 6.553 1.458 1.00 0.00 C ATOM 0 HA LEU A 21 -0.779 5.858 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.463 6.793 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.604 5.409 3.798 1.00 0.00 H new ATOM 0 HG LEU A 21 0.883 8.135 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.274 8.492 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.948 8.407 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.668 7.013 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.882 7.222 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.220 5.693 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.538 6.213 1.248 1.00 0.00 H new ATOM 211 N THR A 22 -1.921 4.917 5.458 1.00 0.00 N ATOM 212 CA THR A 22 -2.322 3.875 6.395 1.00 0.00 C ATOM 213 C THR A 22 -3.381 2.965 5.785 1.00 0.00 C ATOM 214 O THR A 22 -4.018 3.315 4.791 1.00 0.00 O ATOM 215 CB THR A 22 -2.870 4.477 7.703 1.00 0.00 C ATOM 216 OG1 THR A 22 -3.644 5.647 7.418 1.00 0.00 O ATOM 217 CG2 THR A 22 -1.736 4.832 8.653 1.00 0.00 C ATOM 0 H THR A 22 -2.670 5.558 5.194 1.00 0.00 H new ATOM 0 HA THR A 22 -1.430 3.290 6.618 1.00 0.00 H new ATOM 0 HB THR A 22 -3.504 3.731 8.182 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.990 6.022 8.255 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.148 5.255 9.569 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.167 3.934 8.892 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.080 5.562 8.179 1.00 0.00 H new ATOM 225 N LEU A 23 -3.566 1.794 6.386 1.00 0.00 N ATOM 226 CA LEU A 23 -4.549 0.832 5.902 1.00 0.00 C ATOM 227 C LEU A 23 -5.077 -0.030 7.045 1.00 0.00 C ATOM 228 O LEU A 23 -4.333 -0.389 7.957 1.00 0.00 O ATOM 229 CB LEU A 23 -3.933 -0.057 4.820 1.00 0.00 C ATOM 230 CG LEU A 23 -3.847 0.552 3.420 1.00 0.00 C ATOM 231 CD1 LEU A 23 -2.986 -0.314 2.514 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.238 0.728 2.829 1.00 0.00 C ATOM 0 H LEU A 23 -3.048 1.488 7.210 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.384 1.388 5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.928 -0.336 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.514 -0.977 4.759 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.381 1.534 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.936 0.135 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.981 -0.389 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.423 -1.310 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.158 1.163 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.731 -0.242 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.823 1.390 3.467 1.00 0.00 H new ATOM 244 N GLU A 24 -6.363 -0.359 6.986 1.00 0.00 N ATOM 245 CA GLU A 24 -6.989 -1.180 8.016 1.00 0.00 C ATOM 246 C GLU A 24 -6.413 -2.594 8.009 1.00 0.00 C ATOM 247 O GLU A 24 -6.200 -3.184 6.949 1.00 0.00 O ATOM 248 CB GLU A 24 -8.503 -1.233 7.807 1.00 0.00 C ATOM 249 CG GLU A 24 -9.234 -0.009 8.332 1.00 0.00 C ATOM 250 CD GLU A 24 -10.720 -0.042 8.033 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.388 -1.007 8.460 1.00 0.00 O ATOM 252 OE2 GLU A 24 -11.214 0.895 7.372 1.00 0.00 O ATOM 0 H GLU A 24 -6.992 -0.070 6.237 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.779 -0.726 8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.711 -1.341 6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.898 -2.121 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.086 0.063 9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.798 0.887 7.890 1.00 0.00 H new ATOM 259 N VAL A 25 -6.163 -3.131 9.199 1.00 0.00 N ATOM 260 CA VAL A 25 -5.613 -4.474 9.331 1.00 0.00 C ATOM 261 C VAL A 25 -6.723 -5.518 9.395 1.00 0.00 C ATOM 262 O VAL A 25 -7.717 -5.341 10.100 1.00 0.00 O ATOM 263 CB VAL A 25 -4.732 -4.599 10.588 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.197 -6.016 10.727 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.593 -3.592 10.542 1.00 0.00 C ATOM 0 H VAL A 25 -6.333 -2.656 10.085 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.000 -4.653 8.448 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.344 -4.381 11.463 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.577 -6.085 11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.031 -6.713 10.809 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.599 -6.267 9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.981 -3.694 11.438 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.980 -3.777 9.660 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.001 -2.583 10.495 1.00 0.00 H new ATOM 275 N CYS A 26 -6.546 -6.608 8.655 1.00 0.00 N ATOM 276 CA CYS A 26 -7.531 -7.682 8.627 1.00 0.00 C ATOM 277 C CYS A 26 -7.552 -8.436 9.954 1.00 0.00 C ATOM 278 O CYS A 26 -6.657 -9.230 10.243 1.00 0.00 O ATOM 279 CB CYS A 26 -7.227 -8.651 7.482 1.00 0.00 C ATOM 280 SG CYS A 26 -8.401 -10.038 7.352 1.00 0.00 S ATOM 0 H CYS A 26 -5.729 -6.770 8.067 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.513 -7.237 8.467 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.228 -8.098 6.542 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.222 -9.051 7.615 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.749 -10.197 6.109 1.00 0.00 H new ATOM 285 N ARG A 27 -8.580 -8.181 10.756 1.00 0.00 N ATOM 286 CA ARG A 27 -8.718 -8.834 12.053 1.00 0.00 C ATOM 287 C ARG A 27 -8.321 -10.305 11.965 1.00 0.00 C ATOM 288 O ARG A 27 -7.377 -10.742 12.621 1.00 0.00 O ATOM 289 CB ARG A 27 -10.156 -8.712 12.559 1.00 0.00 C ATOM 290 CG ARG A 27 -10.332 -9.149 14.004 1.00 0.00 C ATOM 291 CD ARG A 27 -10.131 -7.988 14.966 1.00 0.00 C ATOM 292 NE ARG A 27 -10.443 -8.359 16.343 1.00 0.00 N ATOM 293 CZ ARG A 27 -9.602 -9.011 17.138 1.00 0.00 C ATOM 294 NH1 ARG A 27 -8.403 -9.361 16.694 1.00 0.00 N ATOM 295 NH2 ARG A 27 -9.958 -9.312 18.380 1.00 0.00 N ATOM 0 H ARG A 27 -9.330 -7.527 10.531 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.050 -8.336 12.756 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.481 -7.676 12.459 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -10.808 -9.313 11.925 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.329 -9.567 14.140 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.620 -9.942 14.235 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.098 -7.644 14.908 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.763 -7.153 14.663 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.358 -8.103 16.715 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.125 -9.130 15.740 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.759 -9.862 17.306 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.879 -9.043 18.726 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.311 -9.813 18.989 1.00 0.00 H new ATOM 309 N GLN A 28 -9.050 -11.061 11.151 1.00 0.00 N ATOM 310 CA GLN A 28 -8.775 -12.483 10.979 1.00 0.00 C ATOM 311 C GLN A 28 -7.285 -12.727 10.768 1.00 0.00 C ATOM 312 O GLN A 28 -6.640 -13.417 11.558 1.00 0.00 O ATOM 313 CB GLN A 28 -9.568 -13.038 9.795 1.00 0.00 C ATOM 314 CG GLN A 28 -11.042 -13.255 10.097 1.00 0.00 C ATOM 315 CD GLN A 28 -11.772 -11.961 10.400 1.00 0.00 C ATOM 316 OE1 GLN A 28 -11.881 -11.552 11.556 1.00 0.00 O ATOM 317 NE2 GLN A 28 -12.277 -11.309 9.359 1.00 0.00 N ATOM 0 H GLN A 28 -9.835 -10.713 10.600 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.084 -13.000 11.888 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.476 -12.352 8.953 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.126 -13.985 9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.515 -13.744 9.246 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.139 -13.930 10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.163 -11.685 8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.779 -10.432 9.501 1.00 0.00 H new ATOM 326 N PHE A 29 -6.743 -12.158 9.696 1.00 0.00 N ATOM 327 CA PHE A 29 -5.328 -12.315 9.380 1.00 0.00 C ATOM 328 C PHE A 29 -4.488 -12.359 10.653 1.00 0.00 C ATOM 329 O PHE A 29 -3.661 -13.252 10.832 1.00 0.00 O ATOM 330 CB PHE A 29 -4.855 -11.171 8.481 1.00 0.00 C ATOM 331 CG PHE A 29 -3.360 -11.087 8.354 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.637 -12.144 7.825 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.679 -9.952 8.763 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.262 -12.071 7.708 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.304 -9.873 8.647 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.595 -10.933 8.118 1.00 0.00 C ATOM 0 H PHE A 29 -7.262 -11.584 9.032 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.202 -13.259 8.851 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.289 -11.296 7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.232 -10.228 8.878 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.154 -13.035 7.500 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.229 -9.120 9.177 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.710 -12.903 7.296 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.785 -8.983 8.970 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.479 -10.873 8.025 1.00 0.00 H new ATOM 346 N GLN A 30 -4.706 -11.387 11.532 1.00 0.00 N ATOM 347 CA GLN A 30 -3.969 -11.313 12.788 1.00 0.00 C ATOM 348 C GLN A 30 -3.995 -12.654 13.514 1.00 0.00 C ATOM 349 O GLN A 30 -2.949 -13.240 13.796 1.00 0.00 O ATOM 350 CB GLN A 30 -4.555 -10.222 13.685 1.00 0.00 C ATOM 351 CG GLN A 30 -4.457 -8.827 13.090 1.00 0.00 C ATOM 352 CD GLN A 30 -4.324 -7.749 14.147 1.00 0.00 C ATOM 353 OE1 GLN A 30 -5.298 -7.079 14.492 1.00 0.00 O ATOM 354 NE2 GLN A 30 -3.115 -7.576 14.668 1.00 0.00 N ATOM 0 H GLN A 30 -5.387 -10.640 11.398 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.933 -11.065 12.558 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.602 -10.450 13.884 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.038 -10.236 14.645 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.598 -8.781 12.420 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.343 -8.631 12.486 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.336 -8.154 14.352 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.965 -6.865 15.384 1.00 0.00 H new ATOM 363 N ARG A 31 -5.197 -13.135 13.815 1.00 0.00 N ATOM 364 CA ARG A 31 -5.360 -14.406 14.510 1.00 0.00 C ATOM 365 C ARG A 31 -4.891 -15.567 13.637 1.00 0.00 C ATOM 366 O ARG A 31 -4.540 -16.633 14.140 1.00 0.00 O ATOM 367 CB ARG A 31 -6.823 -14.611 14.907 1.00 0.00 C ATOM 368 CG ARG A 31 -7.367 -13.517 15.811 1.00 0.00 C ATOM 369 CD ARG A 31 -8.859 -13.312 15.601 1.00 0.00 C ATOM 370 NE ARG A 31 -9.657 -14.231 16.409 1.00 0.00 N ATOM 371 CZ ARG A 31 -10.917 -13.996 16.760 1.00 0.00 C ATOM 372 NH1 ARG A 31 -11.519 -12.879 16.375 1.00 0.00 N ATOM 373 NH2 ARG A 31 -11.577 -14.880 17.497 1.00 0.00 N ATOM 0 H ARG A 31 -6.072 -12.663 13.588 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.747 -14.380 15.411 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.432 -14.661 14.004 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.922 -15.572 15.413 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.177 -13.776 16.853 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.839 -12.584 15.613 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.123 -12.285 15.853 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.100 -13.453 14.547 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.224 -15.100 16.721 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.015 -12.197 15.808 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.486 -12.701 16.646 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.117 -15.741 17.795 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.544 -14.699 17.766 1.00 0.00 H new ATOM 387 N GLY A 32 -4.889 -15.351 12.325 1.00 0.00 N ATOM 388 CA GLY A 32 -4.462 -16.387 11.403 1.00 0.00 C ATOM 389 C GLY A 32 -5.626 -17.180 10.844 1.00 0.00 C ATOM 390 O GLY A 32 -5.460 -18.320 10.408 1.00 0.00 O ATOM 0 H GLY A 32 -5.176 -14.477 11.884 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.908 -15.932 10.582 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.777 -17.064 11.914 1.00 0.00 H new ATOM 394 N THR A 33 -6.811 -16.578 10.856 1.00 0.00 N ATOM 395 CA THR A 33 -8.009 -17.236 10.349 1.00 0.00 C ATOM 396 C THR A 33 -8.455 -16.623 9.026 1.00 0.00 C ATOM 397 O THR A 33 -9.643 -16.610 8.705 1.00 0.00 O ATOM 398 CB THR A 33 -9.168 -17.149 11.359 1.00 0.00 C ATOM 399 OG1 THR A 33 -9.665 -15.807 11.420 1.00 0.00 O ATOM 400 CG2 THR A 33 -8.716 -17.591 12.742 1.00 0.00 C ATOM 0 H THR A 33 -6.967 -15.635 11.212 1.00 0.00 H new ATOM 0 HA THR A 33 -7.752 -18.284 10.192 1.00 0.00 H new ATOM 0 HB THR A 33 -9.963 -17.816 11.024 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.403 -15.760 12.063 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.552 -17.521 13.438 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.366 -18.622 12.698 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.905 -16.947 13.083 1.00 0.00 H new ATOM 408 N CYS A 34 -7.494 -16.115 8.261 1.00 0.00 N ATOM 409 CA CYS A 34 -7.787 -15.501 6.972 1.00 0.00 C ATOM 410 C CYS A 34 -7.202 -16.326 5.830 1.00 0.00 C ATOM 411 O CYS A 34 -6.028 -16.184 5.485 1.00 0.00 O ATOM 412 CB CYS A 34 -7.230 -14.077 6.924 1.00 0.00 C ATOM 413 SG CYS A 34 -7.336 -13.291 5.284 1.00 0.00 S ATOM 0 H CYS A 34 -6.505 -16.117 8.512 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.870 -15.465 6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.770 -13.463 7.645 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.187 -14.096 7.239 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.381 -12.418 5.159 1.00 0.00 H new ATOM 418 N SER A 35 -8.028 -17.189 5.246 1.00 0.00 N ATOM 419 CA SER A 35 -7.592 -18.040 4.146 1.00 0.00 C ATOM 420 C SER A 35 -7.767 -17.329 2.807 1.00 0.00 C ATOM 421 O SER A 35 -8.088 -17.954 1.797 1.00 0.00 O ATOM 422 CB SER A 35 -8.378 -19.352 4.145 1.00 0.00 C ATOM 423 OG SER A 35 -7.817 -20.283 5.054 1.00 0.00 O ATOM 0 H SER A 35 -9.003 -17.317 5.517 1.00 0.00 H new ATOM 0 HA SER A 35 -6.534 -18.259 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.416 -19.158 4.413 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.382 -19.776 3.141 1.00 0.00 H new ATOM 0 HG SER A 35 -8.338 -21.113 5.036 1.00 0.00 H new ATOM 429 N ARG A 36 -7.553 -16.017 2.809 1.00 0.00 N ATOM 430 CA ARG A 36 -7.688 -15.219 1.596 1.00 0.00 C ATOM 431 C ARG A 36 -6.362 -14.559 1.229 1.00 0.00 C ATOM 432 O ARG A 36 -5.602 -14.143 2.103 1.00 0.00 O ATOM 433 CB ARG A 36 -8.768 -14.152 1.780 1.00 0.00 C ATOM 434 CG ARG A 36 -10.138 -14.721 2.109 1.00 0.00 C ATOM 435 CD ARG A 36 -11.252 -13.784 1.670 1.00 0.00 C ATOM 436 NE ARG A 36 -12.447 -13.929 2.496 1.00 0.00 N ATOM 437 CZ ARG A 36 -13.548 -13.205 2.329 1.00 0.00 C ATOM 438 NH1 ARG A 36 -13.605 -12.290 1.372 1.00 0.00 N ATOM 439 NH2 ARG A 36 -14.596 -13.396 3.121 1.00 0.00 N ATOM 0 H ARG A 36 -7.286 -15.484 3.637 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.980 -15.885 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.465 -13.474 2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.840 -13.559 0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.259 -15.687 1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.212 -14.897 3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.900 -12.754 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.505 -13.984 0.629 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.436 -14.624 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.802 -12.140 0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.452 -11.736 1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.556 -14.099 3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.441 -12.839 2.992 1.00 0.00 H new ATOM 453 N SER A 37 -6.092 -14.467 -0.069 1.00 0.00 N ATOM 454 CA SER A 37 -4.856 -13.861 -0.551 1.00 0.00 C ATOM 455 C SER A 37 -4.912 -12.341 -0.430 1.00 0.00 C ATOM 456 O SER A 37 -5.894 -11.783 0.059 1.00 0.00 O ATOM 457 CB SER A 37 -4.603 -14.259 -2.007 1.00 0.00 C ATOM 458 OG SER A 37 -3.216 -14.272 -2.298 1.00 0.00 O ATOM 0 H SER A 37 -6.712 -14.804 -0.806 1.00 0.00 H new ATOM 0 HA SER A 37 -4.036 -14.227 0.067 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.027 -15.245 -2.197 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.111 -13.560 -2.672 1.00 0.00 H new ATOM 0 HG SER A 37 -3.080 -14.531 -3.233 1.00 0.00 H new ATOM 464 N ASP A 38 -3.852 -11.679 -0.878 1.00 0.00 N ATOM 465 CA ASP A 38 -3.779 -10.224 -0.821 1.00 0.00 C ATOM 466 C ASP A 38 -4.688 -9.593 -1.871 1.00 0.00 C ATOM 467 O ASP A 38 -5.293 -8.548 -1.634 1.00 0.00 O ATOM 468 CB ASP A 38 -2.338 -9.755 -1.028 1.00 0.00 C ATOM 469 CG ASP A 38 -1.665 -10.450 -2.195 1.00 0.00 C ATOM 470 OD1 ASP A 38 -1.955 -10.081 -3.353 1.00 0.00 O ATOM 471 OD2 ASP A 38 -0.848 -11.362 -1.951 1.00 0.00 O ATOM 0 H ASP A 38 -3.031 -12.127 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.118 -9.907 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.330 -8.678 -1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.765 -9.940 -0.119 1.00 0.00 H new ATOM 476 N GLU A 39 -4.777 -10.234 -3.032 1.00 0.00 N ATOM 477 CA GLU A 39 -5.610 -9.734 -4.119 1.00 0.00 C ATOM 478 C GLU A 39 -7.037 -10.259 -3.996 1.00 0.00 C ATOM 479 O GLU A 39 -7.914 -9.890 -4.777 1.00 0.00 O ATOM 480 CB GLU A 39 -5.020 -10.139 -5.472 1.00 0.00 C ATOM 481 CG GLU A 39 -5.149 -11.623 -5.772 1.00 0.00 C ATOM 482 CD GLU A 39 -4.802 -11.959 -7.209 1.00 0.00 C ATOM 483 OE1 GLU A 39 -5.512 -11.481 -8.119 1.00 0.00 O ATOM 484 OE2 GLU A 39 -3.821 -12.701 -7.424 1.00 0.00 O ATOM 0 H GLU A 39 -4.282 -11.101 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.634 -8.646 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.517 -9.573 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.966 -9.862 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.495 -12.183 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.169 -11.945 -5.564 1.00 0.00 H new ATOM 491 N GLU A 40 -7.261 -11.123 -3.011 1.00 0.00 N ATOM 492 CA GLU A 40 -8.581 -11.700 -2.787 1.00 0.00 C ATOM 493 C GLU A 40 -9.296 -10.994 -1.638 1.00 0.00 C ATOM 494 O GLU A 40 -10.451 -10.587 -1.766 1.00 0.00 O ATOM 495 CB GLU A 40 -8.465 -13.196 -2.487 1.00 0.00 C ATOM 496 CG GLU A 40 -9.716 -13.985 -2.831 1.00 0.00 C ATOM 497 CD GLU A 40 -9.983 -14.034 -4.323 1.00 0.00 C ATOM 498 OE1 GLU A 40 -9.024 -14.262 -5.089 1.00 0.00 O ATOM 499 OE2 GLU A 40 -11.150 -13.845 -4.724 1.00 0.00 O ATOM 0 H GLU A 40 -6.546 -11.439 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.167 -11.564 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.623 -13.605 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.241 -13.329 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.616 -15.001 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.573 -13.538 -2.327 1.00 0.00 H new ATOM 506 N CYS A 41 -8.601 -10.853 -0.514 1.00 0.00 N ATOM 507 CA CYS A 41 -9.167 -10.198 0.659 1.00 0.00 C ATOM 508 C CYS A 41 -9.142 -8.681 0.500 1.00 0.00 C ATOM 509 O CYS A 41 -8.160 -8.111 0.022 1.00 0.00 O ATOM 510 CB CYS A 41 -8.397 -10.603 1.917 1.00 0.00 C ATOM 511 SG CYS A 41 -9.313 -10.336 3.469 1.00 0.00 S ATOM 0 H CYS A 41 -7.644 -11.184 -0.391 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.204 -10.518 0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.129 -11.657 1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.465 -10.039 1.956 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.907 -11.186 4.364 1.00 0.00 H new ATOM 516 N LYS A 42 -10.228 -8.031 0.904 1.00 0.00 N ATOM 517 CA LYS A 42 -10.331 -6.579 0.809 1.00 0.00 C ATOM 518 C LYS A 42 -9.666 -5.907 2.005 1.00 0.00 C ATOM 519 O LYS A 42 -10.107 -4.851 2.461 1.00 0.00 O ATOM 520 CB LYS A 42 -11.800 -6.157 0.724 1.00 0.00 C ATOM 521 CG LYS A 42 -12.516 -6.687 -0.506 1.00 0.00 C ATOM 522 CD LYS A 42 -14.024 -6.576 -0.365 1.00 0.00 C ATOM 523 CE LYS A 42 -14.588 -7.699 0.491 1.00 0.00 C ATOM 524 NZ LYS A 42 -14.794 -8.946 -0.296 1.00 0.00 N ATOM 0 H LYS A 42 -11.050 -8.487 1.301 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.815 -6.261 -0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.321 -6.505 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.857 -5.068 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.190 -6.131 -1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.241 -7.729 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.279 -5.614 0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.486 -6.602 -1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.909 -7.900 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.536 -7.383 0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.179 -9.688 0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.462 -8.761 -1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.885 -9.262 -0.690 1.00 0.00 H new ATOM 538 N PHE A 43 -8.601 -6.523 2.508 1.00 0.00 N ATOM 539 CA PHE A 43 -7.875 -5.983 3.651 1.00 0.00 C ATOM 540 C PHE A 43 -6.370 -6.158 3.471 1.00 0.00 C ATOM 541 O PHE A 43 -5.921 -6.904 2.601 1.00 0.00 O ATOM 542 CB PHE A 43 -8.328 -6.670 4.941 1.00 0.00 C ATOM 543 CG PHE A 43 -9.760 -6.389 5.298 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.793 -6.989 4.597 1.00 0.00 C ATOM 545 CD2 PHE A 43 -10.073 -5.523 6.334 1.00 0.00 C ATOM 546 CE1 PHE A 43 -12.112 -6.733 4.923 1.00 0.00 C ATOM 547 CE2 PHE A 43 -11.389 -5.264 6.665 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.410 -5.869 5.958 1.00 0.00 C ATOM 0 H PHE A 43 -8.222 -7.396 2.142 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.094 -4.917 3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.192 -7.747 4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.687 -6.345 5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.565 -7.665 3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.279 -5.045 6.889 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.908 -7.208 4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -11.619 -4.589 7.476 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.439 -5.667 6.214 1.00 0.00 H new ATOM 558 N ALA A 44 -5.596 -5.465 4.300 1.00 0.00 N ATOM 559 CA ALA A 44 -4.142 -5.544 4.233 1.00 0.00 C ATOM 560 C ALA A 44 -3.594 -6.483 5.302 1.00 0.00 C ATOM 561 O ALA A 44 -3.978 -6.402 6.470 1.00 0.00 O ATOM 562 CB ALA A 44 -3.531 -4.159 4.381 1.00 0.00 C ATOM 0 H ALA A 44 -5.952 -4.843 5.026 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.869 -5.947 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.445 -4.233 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.890 -3.515 3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.820 -3.735 5.342 1.00 0.00 H new ATOM 568 N HIS A 45 -2.695 -7.374 4.897 1.00 0.00 N ATOM 569 CA HIS A 45 -2.094 -8.329 5.821 1.00 0.00 C ATOM 570 C HIS A 45 -0.579 -8.158 5.871 1.00 0.00 C ATOM 571 O HIS A 45 0.163 -8.741 5.080 1.00 0.00 O ATOM 572 CB HIS A 45 -2.444 -9.760 5.408 1.00 0.00 C ATOM 573 CG HIS A 45 -3.885 -9.943 5.046 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.992 -9.280 5.454 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -4.322 -10.908 4.163 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -6.067 -9.849 4.816 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.635 -10.829 4.043 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.367 -7.455 3.935 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.496 -8.137 6.816 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.825 -10.046 4.557 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.194 -10.437 6.225 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.690 -11.617 3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.097 -9.545 4.928 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.217 -11.424 3.453 1.00 0.00 H new ATOM 585 N PRO A 46 -0.107 -7.338 6.822 1.00 0.00 N ATOM 586 CA PRO A 46 1.323 -7.070 6.998 1.00 0.00 C ATOM 587 C PRO A 46 2.079 -8.283 7.530 1.00 0.00 C ATOM 588 O PRO A 46 1.600 -9.009 8.402 1.00 0.00 O ATOM 589 CB PRO A 46 1.348 -5.932 8.022 1.00 0.00 C ATOM 590 CG PRO A 46 0.074 -6.078 8.780 1.00 0.00 C ATOM 591 CD PRO A 46 -0.933 -6.610 7.799 1.00 0.00 C ATOM 0 HA PRO A 46 1.810 -6.823 6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.212 -6.011 8.681 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.409 -4.960 7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.197 -6.760 9.622 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.248 -5.121 9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.656 -7.267 8.282 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.498 -5.806 7.327 1.00 0.00 H new ATOM 599 N PRO A 47 3.289 -8.509 6.997 1.00 0.00 N ATOM 600 CA PRO A 47 4.137 -9.633 7.404 1.00 0.00 C ATOM 601 C PRO A 47 4.684 -9.463 8.818 1.00 0.00 C ATOM 602 O PRO A 47 4.611 -8.379 9.397 1.00 0.00 O ATOM 603 CB PRO A 47 5.276 -9.606 6.383 1.00 0.00 C ATOM 604 CG PRO A 47 5.337 -8.192 5.920 1.00 0.00 C ATOM 605 CD PRO A 47 3.922 -7.684 5.954 1.00 0.00 C ATOM 0 HA PRO A 47 3.586 -10.574 7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.219 -9.916 6.834 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.080 -10.286 5.554 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.981 -7.597 6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.750 -8.128 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.882 -6.623 6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.428 -7.806 4.990 1.00 0.00 H new ATOM 613 N LYS A 48 5.232 -10.541 9.368 1.00 0.00 N ATOM 614 CA LYS A 48 5.794 -10.512 10.713 1.00 0.00 C ATOM 615 C LYS A 48 6.867 -9.435 10.832 1.00 0.00 C ATOM 616 O LYS A 48 6.982 -8.770 11.861 1.00 0.00 O ATOM 617 CB LYS A 48 6.385 -11.878 11.071 1.00 0.00 C ATOM 618 CG LYS A 48 6.791 -12.002 12.529 1.00 0.00 C ATOM 619 CD LYS A 48 6.822 -13.453 12.978 1.00 0.00 C ATOM 620 CE LYS A 48 8.000 -14.199 12.370 1.00 0.00 C ATOM 621 NZ LYS A 48 9.295 -13.776 12.972 1.00 0.00 N ATOM 0 H LYS A 48 5.299 -11.446 8.903 1.00 0.00 H new ATOM 0 HA LYS A 48 4.990 -10.277 11.410 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.654 -12.653 10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.256 -12.063 10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.774 -11.555 12.673 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.092 -11.443 13.151 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.884 -13.497 14.065 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.892 -13.944 12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.865 -15.271 12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.025 -14.024 11.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.040 -14.448 12.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.543 -12.826 12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.207 -13.758 14.008 1.00 0.00 H new ATOM 635 N SER A 49 7.651 -9.268 9.771 1.00 0.00 N ATOM 636 CA SER A 49 8.717 -8.273 9.758 1.00 0.00 C ATOM 637 C SER A 49 8.143 -6.861 9.841 1.00 0.00 C ATOM 638 O SER A 49 8.676 -6.004 10.546 1.00 0.00 O ATOM 639 CB SER A 49 9.563 -8.418 8.491 1.00 0.00 C ATOM 640 OG SER A 49 10.105 -9.723 8.386 1.00 0.00 O ATOM 0 H SER A 49 7.568 -9.809 8.910 1.00 0.00 H new ATOM 0 HA SER A 49 9.349 -8.442 10.630 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.951 -8.203 7.615 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.370 -7.686 8.503 1.00 0.00 H new ATOM 0 HG SER A 49 10.640 -9.790 7.567 1.00 0.00 H new ATOM 646 N CYS A 50 7.055 -6.628 9.116 1.00 0.00 N ATOM 647 CA CYS A 50 6.408 -5.321 9.106 1.00 0.00 C ATOM 648 C CYS A 50 5.703 -5.053 10.431 1.00 0.00 C ATOM 649 O CYS A 50 4.968 -5.902 10.936 1.00 0.00 O ATOM 650 CB CYS A 50 5.406 -5.233 7.954 1.00 0.00 C ATOM 651 SG CYS A 50 6.168 -5.037 6.326 1.00 0.00 S ATOM 0 H CYS A 50 6.602 -7.327 8.527 1.00 0.00 H new ATOM 0 HA CYS A 50 7.179 -4.563 8.966 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.793 -6.134 7.950 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.736 -4.392 8.133 1.00 0.00 H new ATOM 0 HG CYS A 50 7.033 -4.067 6.365 1.00 0.00 H new ATOM 657 N GLN A 51 5.933 -3.869 10.990 1.00 0.00 N ATOM 658 CA GLN A 51 5.321 -3.492 12.258 1.00 0.00 C ATOM 659 C GLN A 51 3.865 -3.084 12.060 1.00 0.00 C ATOM 660 O GLN A 51 3.539 -2.335 11.139 1.00 0.00 O ATOM 661 CB GLN A 51 6.101 -2.345 12.904 1.00 0.00 C ATOM 662 CG GLN A 51 5.640 -2.013 14.314 1.00 0.00 C ATOM 663 CD GLN A 51 6.192 -2.973 15.349 1.00 0.00 C ATOM 664 OE1 GLN A 51 7.270 -2.755 15.903 1.00 0.00 O ATOM 665 NE2 GLN A 51 5.453 -4.044 15.618 1.00 0.00 N ATOM 0 H GLN A 51 6.538 -3.155 10.585 1.00 0.00 H new ATOM 0 HA GLN A 51 5.350 -4.359 12.918 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.159 -2.605 12.929 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.006 -1.456 12.281 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.949 -0.998 14.564 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.551 -2.032 14.350 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.566 -4.186 15.135 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.773 -4.724 16.307 1.00 0.00 H new ATOM 674 N VAL A 52 2.992 -3.581 12.931 1.00 0.00 N ATOM 675 CA VAL A 52 1.570 -3.268 12.852 1.00 0.00 C ATOM 676 C VAL A 52 1.167 -2.271 13.932 1.00 0.00 C ATOM 677 O VAL A 52 1.610 -2.367 15.076 1.00 0.00 O ATOM 678 CB VAL A 52 0.708 -4.537 12.991 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.771 -4.180 12.984 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.032 -5.525 11.881 1.00 0.00 C ATOM 0 H VAL A 52 3.245 -4.202 13.700 1.00 0.00 H new ATOM 0 HA VAL A 52 1.396 -2.826 11.871 1.00 0.00 H new ATOM 0 HB VAL A 52 0.939 -5.010 13.945 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.365 -5.089 13.083 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.988 -3.512 13.817 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.021 -3.683 12.046 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.414 -6.416 11.995 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.831 -5.065 10.914 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.084 -5.804 11.938 1.00 0.00 H new ATOM 690 N GLU A 53 0.322 -1.314 13.560 1.00 0.00 N ATOM 691 CA GLU A 53 -0.141 -0.298 14.498 1.00 0.00 C ATOM 692 C GLU A 53 -1.444 -0.728 15.166 1.00 0.00 C ATOM 693 O GLU A 53 -2.091 -1.681 14.732 1.00 0.00 O ATOM 694 CB GLU A 53 -0.340 1.038 13.780 1.00 0.00 C ATOM 695 CG GLU A 53 -0.114 2.248 14.671 1.00 0.00 C ATOM 696 CD GLU A 53 -1.380 2.700 15.374 1.00 0.00 C ATOM 697 OE1 GLU A 53 -2.471 2.549 14.786 1.00 0.00 O ATOM 698 OE2 GLU A 53 -1.278 3.204 16.512 1.00 0.00 O ATOM 0 H GLU A 53 -0.055 -1.221 12.617 1.00 0.00 H new ATOM 0 HA GLU A 53 0.620 -0.178 15.269 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.342 1.090 12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.352 1.077 13.378 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.645 2.009 15.416 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.276 3.069 14.070 1.00 0.00 H new ATOM 705 N ASN A 54 -1.822 -0.019 16.225 1.00 0.00 N ATOM 706 CA ASN A 54 -3.046 -0.328 16.954 1.00 0.00 C ATOM 707 C ASN A 54 -4.239 -0.406 16.006 1.00 0.00 C ATOM 708 O ASN A 54 -4.716 0.612 15.506 1.00 0.00 O ATOM 709 CB ASN A 54 -3.304 0.729 18.030 1.00 0.00 C ATOM 710 CG ASN A 54 -4.650 0.551 18.705 1.00 0.00 C ATOM 711 OD1 ASN A 54 -4.811 -0.301 19.578 1.00 0.00 O ATOM 712 ND2 ASN A 54 -5.626 1.357 18.301 1.00 0.00 N ATOM 0 H ASN A 54 -1.298 0.773 16.597 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.920 -1.300 17.431 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.515 0.680 18.780 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.255 1.721 17.580 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.554 1.283 18.718 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.447 2.049 17.574 1.00 0.00 H new ATOM 719 N GLY A 55 -4.717 -1.623 15.763 1.00 0.00 N ATOM 720 CA GLY A 55 -5.850 -1.812 14.877 1.00 0.00 C ATOM 721 C GLY A 55 -5.635 -1.176 13.517 1.00 0.00 C ATOM 722 O GLY A 55 -6.591 -0.926 12.783 1.00 0.00 O ATOM 0 H GLY A 55 -4.339 -2.481 16.164 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.035 -2.879 14.751 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.742 -1.386 15.337 1.00 0.00 H new ATOM 726 N ARG A 56 -4.376 -0.913 13.182 1.00 0.00 N ATOM 727 CA ARG A 56 -4.039 -0.300 11.903 1.00 0.00 C ATOM 728 C ARG A 56 -2.604 -0.631 11.503 1.00 0.00 C ATOM 729 O ARG A 56 -1.803 -1.069 12.329 1.00 0.00 O ATOM 730 CB ARG A 56 -4.222 1.217 11.976 1.00 0.00 C ATOM 731 CG ARG A 56 -4.619 1.847 10.651 1.00 0.00 C ATOM 732 CD ARG A 56 -4.826 3.348 10.788 1.00 0.00 C ATOM 733 NE ARG A 56 -6.042 3.667 11.530 1.00 0.00 N ATOM 734 CZ ARG A 56 -6.239 4.823 12.156 1.00 0.00 C ATOM 735 NH1 ARG A 56 -5.305 5.763 12.128 1.00 0.00 N ATOM 736 NH2 ARG A 56 -7.373 5.039 12.810 1.00 0.00 N ATOM 0 H ARG A 56 -3.573 -1.115 13.778 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.712 -0.704 11.147 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.984 1.447 12.721 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.292 1.670 12.320 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.846 1.651 9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.536 1.384 10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.967 3.788 11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.877 3.799 9.797 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.781 2.965 11.570 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.433 5.600 11.625 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.459 6.649 12.609 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.094 4.318 12.833 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.524 5.926 13.290 1.00 0.00 H new ATOM 750 N VAL A 57 -2.286 -0.419 10.230 1.00 0.00 N ATOM 751 CA VAL A 57 -0.948 -0.694 9.720 1.00 0.00 C ATOM 752 C VAL A 57 -0.499 0.387 8.743 1.00 0.00 C ATOM 753 O VAL A 57 -1.312 0.955 8.013 1.00 0.00 O ATOM 754 CB VAL A 57 -0.885 -2.063 9.017 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.784 -2.075 7.790 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.549 -2.403 8.641 1.00 0.00 C ATOM 0 H VAL A 57 -2.937 -0.058 9.533 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.278 -0.704 10.580 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.245 -2.824 9.709 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.727 -3.050 7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.813 -1.879 8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.457 -1.304 7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.575 -3.373 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.939 -1.641 7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.162 -2.439 9.541 1.00 0.00 H new ATOM 766 N ILE A 58 0.800 0.667 8.735 1.00 0.00 N ATOM 767 CA ILE A 58 1.358 1.679 7.847 1.00 0.00 C ATOM 768 C ILE A 58 1.819 1.062 6.531 1.00 0.00 C ATOM 769 O ILE A 58 2.381 -0.033 6.511 1.00 0.00 O ATOM 770 CB ILE A 58 2.544 2.411 8.501 1.00 0.00 C ATOM 771 CG1 ILE A 58 2.093 3.114 9.784 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.151 3.411 7.529 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.239 3.557 10.665 1.00 0.00 C ATOM 0 H ILE A 58 1.486 0.207 9.334 1.00 0.00 H new ATOM 0 HA ILE A 58 0.563 2.398 7.650 1.00 0.00 H new ATOM 0 HB ILE A 58 3.307 1.677 8.760 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.491 3.984 9.520 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.449 2.441 10.350 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.988 3.920 8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.504 2.887 6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.397 4.144 7.242 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.845 4.047 11.555 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.828 2.689 10.959 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.871 4.255 10.116 1.00 0.00 H new ATOM 785 N ALA A 59 1.581 1.773 5.434 1.00 0.00 N ATOM 786 CA ALA A 59 1.975 1.297 4.114 1.00 0.00 C ATOM 787 C ALA A 59 3.326 1.874 3.703 1.00 0.00 C ATOM 788 O ALA A 59 3.744 2.919 4.204 1.00 0.00 O ATOM 789 CB ALA A 59 0.912 1.652 3.085 1.00 0.00 C ATOM 0 H ALA A 59 1.117 2.681 5.433 1.00 0.00 H new ATOM 0 HA ALA A 59 2.071 0.212 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.220 1.290 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.033 1.186 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.787 2.734 3.050 1.00 0.00 H new ATOM 795 N CYS A 60 4.004 1.188 2.790 1.00 0.00 N ATOM 796 CA CYS A 60 5.308 1.632 2.312 1.00 0.00 C ATOM 797 C CYS A 60 5.158 2.612 1.152 1.00 0.00 C ATOM 798 O CYS A 60 4.210 2.526 0.371 1.00 0.00 O ATOM 799 CB CYS A 60 6.150 0.432 1.875 1.00 0.00 C ATOM 800 SG CYS A 60 7.839 0.861 1.346 1.00 0.00 S ATOM 0 H CYS A 60 3.672 0.322 2.366 1.00 0.00 H new ATOM 0 HA CYS A 60 5.813 2.142 3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.209 -0.277 2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.642 -0.075 1.055 1.00 0.00 H new ATOM 0 HG CYS A 60 8.699 0.183 2.047 1.00 0.00 H new ATOM 805 N PHE A 61 6.100 3.544 1.046 1.00 0.00 N ATOM 806 CA PHE A 61 6.073 4.541 -0.017 1.00 0.00 C ATOM 807 C PHE A 61 6.565 3.946 -1.333 1.00 0.00 C ATOM 808 O PHE A 61 5.880 4.015 -2.354 1.00 0.00 O ATOM 809 CB PHE A 61 6.933 5.747 0.364 1.00 0.00 C ATOM 810 CG PHE A 61 6.784 6.910 -0.575 1.00 0.00 C ATOM 811 CD1 PHE A 61 7.330 6.864 -1.848 1.00 0.00 C ATOM 812 CD2 PHE A 61 6.099 8.049 -0.186 1.00 0.00 C ATOM 813 CE1 PHE A 61 7.195 7.932 -2.714 1.00 0.00 C ATOM 814 CE2 PHE A 61 5.960 9.121 -1.047 1.00 0.00 C ATOM 815 CZ PHE A 61 6.509 9.062 -2.313 1.00 0.00 C ATOM 0 H PHE A 61 6.891 3.629 1.684 1.00 0.00 H new ATOM 0 HA PHE A 61 5.041 4.867 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.669 6.068 1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.979 5.443 0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.867 5.983 -2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.668 8.100 0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.625 7.883 -3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.423 10.003 -0.731 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.402 9.898 -2.988 1.00 0.00 H new ATOM 825 N ASP A 62 7.758 3.362 -1.302 1.00 0.00 N ATOM 826 CA ASP A 62 8.344 2.754 -2.491 1.00 0.00 C ATOM 827 C ASP A 62 7.418 1.688 -3.068 1.00 0.00 C ATOM 828 O ASP A 62 7.105 1.701 -4.259 1.00 0.00 O ATOM 829 CB ASP A 62 9.704 2.140 -2.158 1.00 0.00 C ATOM 830 CG ASP A 62 10.796 3.184 -2.032 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.872 3.837 -0.970 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.573 3.350 -2.996 1.00 0.00 O ATOM 0 H ASP A 62 8.338 3.297 -0.466 1.00 0.00 H new ATOM 0 HA ASP A 62 8.480 3.535 -3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.629 1.583 -1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.977 1.425 -2.935 1.00 0.00 H new ATOM 837 N SER A 63 6.983 0.765 -2.216 1.00 0.00 N ATOM 838 CA SER A 63 6.097 -0.312 -2.643 1.00 0.00 C ATOM 839 C SER A 63 5.049 0.203 -3.625 1.00 0.00 C ATOM 840 O SER A 63 4.580 -0.533 -4.494 1.00 0.00 O ATOM 841 CB SER A 63 5.409 -0.945 -1.431 1.00 0.00 C ATOM 842 OG SER A 63 4.394 -0.098 -0.921 1.00 0.00 O ATOM 0 H SER A 63 7.229 0.741 -1.227 1.00 0.00 H new ATOM 0 HA SER A 63 6.700 -1.068 -3.146 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.978 -1.905 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.146 -1.144 -0.653 1.00 0.00 H new ATOM 0 HG SER A 63 4.785 0.763 -0.665 1.00 0.00 H new ATOM 848 N LEU A 64 4.686 1.473 -3.480 1.00 0.00 N ATOM 849 CA LEU A 64 3.693 2.089 -4.353 1.00 0.00 C ATOM 850 C LEU A 64 4.142 2.037 -5.810 1.00 0.00 C ATOM 851 O LEU A 64 3.363 1.695 -6.700 1.00 0.00 O ATOM 852 CB LEU A 64 3.447 3.540 -3.935 1.00 0.00 C ATOM 853 CG LEU A 64 2.981 3.753 -2.494 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.953 5.236 -2.156 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.610 3.129 -2.279 1.00 0.00 C ATOM 0 H LEU A 64 5.064 2.096 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 64 2.764 1.527 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.369 4.102 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.701 3.969 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 64 3.690 3.262 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.619 5.368 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.953 5.654 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.267 5.750 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.294 3.290 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.890 3.590 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.662 2.059 -2.479 1.00 0.00 H new ATOM 867 N LYS A 65 5.405 2.377 -6.047 1.00 0.00 N ATOM 868 CA LYS A 65 5.961 2.366 -7.394 1.00 0.00 C ATOM 869 C LYS A 65 6.020 0.946 -7.947 1.00 0.00 C ATOM 870 O LYS A 65 5.941 0.737 -9.157 1.00 0.00 O ATOM 871 CB LYS A 65 7.361 2.984 -7.396 1.00 0.00 C ATOM 872 CG LYS A 65 7.367 4.478 -7.121 1.00 0.00 C ATOM 873 CD LYS A 65 6.904 5.270 -8.332 1.00 0.00 C ATOM 874 CE LYS A 65 8.055 5.555 -9.284 1.00 0.00 C ATOM 875 NZ LYS A 65 8.231 4.466 -10.285 1.00 0.00 N ATOM 0 H LYS A 65 6.063 2.664 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 65 5.308 2.959 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.971 2.482 -6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.829 2.799 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.717 4.695 -6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.372 4.793 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.126 4.714 -8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.459 6.210 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.874 6.497 -9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.976 5.676 -8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.568 4.870 -11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.927 3.779 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.321 3.987 -10.441 1.00 0.00 H new ATOM 889 N GLY A 66 6.157 -0.028 -7.052 1.00 0.00 N ATOM 890 CA GLY A 66 6.223 -1.416 -7.470 1.00 0.00 C ATOM 891 C GLY A 66 7.576 -2.041 -7.196 1.00 0.00 C ATOM 892 O GLY A 66 7.724 -3.262 -7.238 1.00 0.00 O ATOM 0 H GLY A 66 6.223 0.120 -6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.452 -1.985 -6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.005 -1.482 -8.536 1.00 0.00 H new ATOM 896 N ARG A 67 8.568 -1.202 -6.915 1.00 0.00 N ATOM 897 CA ARG A 67 9.917 -1.679 -6.636 1.00 0.00 C ATOM 898 C ARG A 67 10.465 -1.044 -5.361 1.00 0.00 C ATOM 899 O ARG A 67 10.811 0.138 -5.343 1.00 0.00 O ATOM 900 CB ARG A 67 10.844 -1.369 -7.812 1.00 0.00 C ATOM 901 CG ARG A 67 12.276 -1.831 -7.597 1.00 0.00 C ATOM 902 CD ARG A 67 12.374 -3.348 -7.568 1.00 0.00 C ATOM 903 NE ARG A 67 12.265 -3.930 -8.903 1.00 0.00 N ATOM 904 CZ ARG A 67 11.888 -5.183 -9.131 1.00 0.00 C ATOM 905 NH1 ARG A 67 11.584 -5.982 -8.117 1.00 0.00 N ATOM 906 NH2 ARG A 67 11.814 -5.639 -10.374 1.00 0.00 N ATOM 0 H ARG A 67 8.463 -0.188 -6.875 1.00 0.00 H new ATOM 0 HA ARG A 67 9.871 -2.759 -6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.449 -1.844 -8.710 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.841 -0.294 -7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.909 -1.440 -8.393 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.654 -1.423 -6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.324 -3.641 -7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.585 -3.750 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 67 12.491 -3.342 -9.705 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.639 -5.635 -7.160 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.295 -6.944 -8.295 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.047 -5.027 -11.156 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.524 -6.601 -10.548 1.00 0.00 H new ATOM 920 N CYS A 68 10.541 -1.836 -4.297 1.00 0.00 N ATOM 921 CA CYS A 68 11.046 -1.352 -3.018 1.00 0.00 C ATOM 922 C CYS A 68 12.498 -1.772 -2.812 1.00 0.00 C ATOM 923 O CYS A 68 12.947 -2.781 -3.358 1.00 0.00 O ATOM 924 CB CYS A 68 10.182 -1.884 -1.871 1.00 0.00 C ATOM 925 SG CYS A 68 10.716 -1.329 -0.220 1.00 0.00 S ATOM 0 H CYS A 68 10.259 -2.816 -4.295 1.00 0.00 H new ATOM 0 HA CYS A 68 10.999 -0.263 -3.026 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.150 -1.571 -2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.192 -2.974 -1.897 1.00 0.00 H new ATOM 0 HG CYS A 68 9.782 -0.601 0.316 1.00 0.00 H new ATOM 930 N SER A 69 13.228 -0.992 -2.021 1.00 0.00 N ATOM 931 CA SER A 69 14.630 -1.280 -1.746 1.00 0.00 C ATOM 932 C SER A 69 14.828 -1.672 -0.285 1.00 0.00 C ATOM 933 O SER A 69 15.577 -2.598 0.025 1.00 0.00 O ATOM 934 CB SER A 69 15.498 -0.066 -2.083 1.00 0.00 C ATOM 935 OG SER A 69 16.862 -0.432 -2.206 1.00 0.00 O ATOM 0 H SER A 69 12.871 -0.155 -1.559 1.00 0.00 H new ATOM 0 HA SER A 69 14.933 -2.119 -2.373 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.154 0.384 -3.014 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.390 0.690 -1.305 1.00 0.00 H new ATOM 0 HG SER A 69 17.395 0.361 -2.423 1.00 0.00 H new ATOM 941 N ARG A 70 14.150 -0.959 0.609 1.00 0.00 N ATOM 942 CA ARG A 70 14.251 -1.229 2.038 1.00 0.00 C ATOM 943 C ARG A 70 14.335 -2.730 2.302 1.00 0.00 C ATOM 944 O ARG A 70 13.323 -3.430 2.282 1.00 0.00 O ATOM 945 CB ARG A 70 13.050 -0.637 2.777 1.00 0.00 C ATOM 946 CG ARG A 70 13.152 0.863 3.000 1.00 0.00 C ATOM 947 CD ARG A 70 13.879 1.186 4.297 1.00 0.00 C ATOM 948 NE ARG A 70 14.224 2.601 4.394 1.00 0.00 N ATOM 949 CZ ARG A 70 15.257 3.151 3.765 1.00 0.00 C ATOM 950 NH1 ARG A 70 16.041 2.407 2.997 1.00 0.00 N ATOM 951 NH2 ARG A 70 15.506 4.447 3.903 1.00 0.00 N ATOM 0 H ARG A 70 13.525 -0.190 0.368 1.00 0.00 H new ATOM 0 HA ARG A 70 15.163 -0.760 2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.144 -0.851 2.210 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.947 -1.133 3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.678 1.321 2.163 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.152 1.297 3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.251 0.907 5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.787 0.586 4.362 1.00 0.00 H new ATOM 0 HE ARG A 70 13.640 3.201 4.977 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.852 1.411 2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.834 2.831 2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.904 5.022 4.492 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.299 4.868 3.420 1.00 0.00 H new ATOM 965 N GLU A 71 15.547 -3.215 2.550 1.00 0.00 N ATOM 966 CA GLU A 71 15.762 -4.633 2.817 1.00 0.00 C ATOM 967 C GLU A 71 14.779 -5.144 3.866 1.00 0.00 C ATOM 968 O GLU A 71 13.968 -6.028 3.592 1.00 0.00 O ATOM 969 CB GLU A 71 17.198 -4.874 3.288 1.00 0.00 C ATOM 970 CG GLU A 71 18.214 -4.895 2.158 1.00 0.00 C ATOM 971 CD GLU A 71 19.634 -4.685 2.646 1.00 0.00 C ATOM 972 OE1 GLU A 71 20.191 -5.616 3.266 1.00 0.00 O ATOM 973 OE2 GLU A 71 20.188 -3.591 2.410 1.00 0.00 O ATOM 0 H GLU A 71 16.395 -2.648 2.572 1.00 0.00 H new ATOM 0 HA GLU A 71 15.595 -5.181 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.474 -4.095 3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.242 -5.823 3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.151 -5.849 1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.964 -4.119 1.435 1.00 0.00 H new ATOM 980 N ASN A 72 14.858 -4.581 5.067 1.00 0.00 N ATOM 981 CA ASN A 72 13.976 -4.980 6.158 1.00 0.00 C ATOM 982 C ASN A 72 12.821 -3.995 6.312 1.00 0.00 C ATOM 983 O ASN A 72 12.444 -3.633 7.427 1.00 0.00 O ATOM 984 CB ASN A 72 14.761 -5.072 7.468 1.00 0.00 C ATOM 985 CG ASN A 72 16.138 -5.677 7.276 1.00 0.00 C ATOM 986 OD1 ASN A 72 16.958 -5.154 6.522 1.00 0.00 O ATOM 987 ND2 ASN A 72 16.398 -6.786 7.959 1.00 0.00 N ATOM 0 H ASN A 72 15.524 -3.847 5.310 1.00 0.00 H new ATOM 0 HA ASN A 72 13.564 -5.961 5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.862 -4.076 7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.200 -5.673 8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.308 -7.239 7.870 1.00 0.00 H new ATOM 0 HD22 ASN A 72 15.688 -7.185 8.573 1.00 0.00 H new ATOM 994 N CYS A 73 12.263 -3.566 5.185 1.00 0.00 N ATOM 995 CA CYS A 73 11.151 -2.623 5.193 1.00 0.00 C ATOM 996 C CYS A 73 10.247 -2.858 6.400 1.00 0.00 C ATOM 997 O CYS A 73 9.900 -3.996 6.718 1.00 0.00 O ATOM 998 CB CYS A 73 10.339 -2.748 3.902 1.00 0.00 C ATOM 999 SG CYS A 73 9.311 -1.293 3.526 1.00 0.00 S ATOM 0 H CYS A 73 12.563 -3.856 4.254 1.00 0.00 H new ATOM 0 HA CYS A 73 11.562 -1.616 5.260 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.023 -2.921 3.071 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.696 -3.625 3.974 1.00 0.00 H new ATOM 0 HG CYS A 73 8.065 -1.566 3.777 1.00 0.00 H new ATOM 1004 N LYS A 74 9.868 -1.774 7.068 1.00 0.00 N ATOM 1005 CA LYS A 74 9.003 -1.860 8.239 1.00 0.00 C ATOM 1006 C LYS A 74 7.551 -1.585 7.864 1.00 0.00 C ATOM 1007 O LYS A 74 6.664 -1.610 8.718 1.00 0.00 O ATOM 1008 CB LYS A 74 9.461 -0.868 9.311 1.00 0.00 C ATOM 1009 CG LYS A 74 10.213 0.327 8.751 1.00 0.00 C ATOM 1010 CD LYS A 74 9.338 1.152 7.823 1.00 0.00 C ATOM 1011 CE LYS A 74 10.173 2.018 6.893 1.00 0.00 C ATOM 1012 NZ LYS A 74 10.635 3.266 7.562 1.00 0.00 N ATOM 0 H LYS A 74 10.146 -0.825 6.818 1.00 0.00 H new ATOM 0 HA LYS A 74 9.071 -2.873 8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.590 -0.513 9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.100 -1.387 10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.566 0.952 9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.095 -0.018 8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.705 0.489 7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.675 1.785 8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.037 1.451 6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.586 2.275 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.201 3.829 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.811 3.820 7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.217 3.022 8.389 1.00 0.00 H new ATOM 1026 N TYR A 75 7.314 -1.325 6.583 1.00 0.00 N ATOM 1027 CA TYR A 75 5.969 -1.044 6.096 1.00 0.00 C ATOM 1028 C TYR A 75 5.504 -2.127 5.127 1.00 0.00 C ATOM 1029 O TYR A 75 6.308 -2.716 4.402 1.00 0.00 O ATOM 1030 CB TYR A 75 5.928 0.322 5.409 1.00 0.00 C ATOM 1031 CG TYR A 75 6.290 1.470 6.323 1.00 0.00 C ATOM 1032 CD1 TYR A 75 6.122 1.369 7.699 1.00 0.00 C ATOM 1033 CD2 TYR A 75 6.802 2.656 5.812 1.00 0.00 C ATOM 1034 CE1 TYR A 75 6.451 2.416 8.538 1.00 0.00 C ATOM 1035 CE2 TYR A 75 7.135 3.708 6.643 1.00 0.00 C ATOM 1036 CZ TYR A 75 6.958 3.583 8.005 1.00 0.00 C ATOM 1037 OH TYR A 75 7.288 4.628 8.838 1.00 0.00 O ATOM 0 H TYR A 75 8.036 -1.303 5.863 1.00 0.00 H new ATOM 0 HA TYR A 75 5.294 -1.033 6.952 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.613 0.314 4.561 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.928 0.488 5.009 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.727 0.456 8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.942 2.757 4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.312 2.321 9.605 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.532 4.623 6.229 1.00 0.00 H new ATOM 0 HH TYR A 75 7.632 5.375 8.305 1.00 0.00 H new ATOM 1047 N LEU A 76 4.201 -2.385 5.119 1.00 0.00 N ATOM 1048 CA LEU A 76 3.626 -3.397 4.239 1.00 0.00 C ATOM 1049 C LEU A 76 3.472 -2.860 2.820 1.00 0.00 C ATOM 1050 O LEU A 76 3.399 -1.649 2.607 1.00 0.00 O ATOM 1051 CB LEU A 76 2.268 -3.853 4.774 1.00 0.00 C ATOM 1052 CG LEU A 76 1.351 -4.550 3.768 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.787 -5.992 3.558 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.096 -4.492 4.236 1.00 0.00 C ATOM 0 H LEU A 76 3.522 -1.907 5.712 1.00 0.00 H new ATOM 0 HA LEU A 76 4.305 -4.250 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.438 -4.531 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.745 -2.983 5.170 1.00 0.00 H new ATOM 0 HG LEU A 76 1.425 -4.027 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.123 -6.472 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.808 -6.012 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.743 -6.527 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.734 -4.993 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.186 -4.990 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.405 -3.451 4.334 1.00 0.00 H new ATOM 1066 N HIS A 77 3.423 -3.768 1.851 1.00 0.00 N ATOM 1067 CA HIS A 77 3.274 -3.386 0.451 1.00 0.00 C ATOM 1068 C HIS A 77 1.879 -3.731 -0.061 1.00 0.00 C ATOM 1069 O HIS A 77 1.606 -4.856 -0.481 1.00 0.00 O ATOM 1070 CB HIS A 77 4.332 -4.085 -0.405 1.00 0.00 C ATOM 1071 CG HIS A 77 5.738 -3.772 0.007 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.838 -4.118 -0.749 1.00 0.00 N ATOM 1073 CD2 HIS A 77 6.219 -3.140 1.102 1.00 0.00 C ATOM 1074 CE1 HIS A 77 7.936 -3.714 -0.135 1.00 0.00 C ATOM 1075 NE2 HIS A 77 7.588 -3.117 0.990 1.00 0.00 N ATOM 0 H HIS A 77 3.484 -4.774 2.009 1.00 0.00 H new ATOM 0 HA HIS A 77 3.412 -2.307 0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.178 -5.163 -0.351 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.194 -3.795 -1.447 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.636 -2.730 1.913 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.946 -3.849 -0.493 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.231 -2.705 1.666 1.00 0.00 H new ATOM 1083 N PRO A 78 0.975 -2.741 -0.027 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.407 -2.916 -0.484 1.00 0.00 C ATOM 1085 C PRO A 78 -0.501 -3.082 -1.997 1.00 0.00 C ATOM 1086 O PRO A 78 0.275 -2.503 -2.758 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.093 -1.620 -0.045 1.00 0.00 C ATOM 1088 CG PRO A 78 0.006 -0.617 0.030 1.00 0.00 C ATOM 1089 CD PRO A 78 1.231 -1.375 0.460 1.00 0.00 C ATOM 0 HA PRO A 78 -0.862 -3.816 -0.071 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.859 -1.316 -0.759 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.586 -1.740 0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.163 -0.138 -0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.234 0.172 0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.137 -0.956 0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.359 -1.352 1.542 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.473 -3.889 -2.446 1.00 0.00 N ATOM 1098 CA PRO A 79 -1.692 -4.149 -3.872 1.00 0.00 C ATOM 1099 C PRO A 79 -2.233 -2.927 -4.607 1.00 0.00 C ATOM 1100 O PRO A 79 -2.572 -1.917 -3.990 1.00 0.00 O ATOM 1101 CB PRO A 79 -2.728 -5.276 -3.873 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.449 -5.128 -2.578 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.435 -4.611 -1.595 1.00 0.00 C ATOM 0 HA PRO A 79 -0.766 -4.404 -4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.410 -5.186 -4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.251 -6.253 -3.951 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.286 -4.437 -2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.860 -6.082 -2.249 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.891 -3.952 -0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.957 -5.423 -1.047 1.00 0.00 H new ATOM 1111 N THR A 80 -2.311 -3.025 -5.931 1.00 0.00 N ATOM 1112 CA THR A 80 -2.810 -1.928 -6.750 1.00 0.00 C ATOM 1113 C THR A 80 -4.285 -1.661 -6.472 1.00 0.00 C ATOM 1114 O THR A 80 -4.685 -0.522 -6.229 1.00 0.00 O ATOM 1115 CB THR A 80 -2.627 -2.221 -8.252 1.00 0.00 C ATOM 1116 OG1 THR A 80 -1.303 -2.706 -8.499 1.00 0.00 O ATOM 1117 CG2 THR A 80 -2.877 -0.970 -9.080 1.00 0.00 C ATOM 0 H THR A 80 -2.035 -3.853 -6.458 1.00 0.00 H new ATOM 0 HA THR A 80 -2.228 -1.045 -6.485 1.00 0.00 H new ATOM 0 HB THR A 80 -3.351 -2.982 -8.543 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.196 -2.891 -9.455 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.742 -1.200 -10.137 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.895 -0.620 -8.912 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.173 -0.192 -8.785 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.090 -2.718 -6.508 1.00 0.00 N ATOM 1126 CA HIS A 81 -6.522 -2.597 -6.258 1.00 0.00 C ATOM 1127 C HIS A 81 -6.784 -1.865 -4.945 1.00 0.00 C ATOM 1128 O HIS A 81 -7.867 -1.317 -4.733 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.174 -3.979 -6.224 1.00 0.00 C ATOM 1130 CG HIS A 81 -6.642 -4.866 -5.140 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.064 -5.060 -3.869 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -5.543 -5.682 -5.306 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.222 -5.981 -3.296 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -5.313 -6.341 -4.185 1.00 0.00 N flip ATOM 0 H HIS A 81 -4.775 -3.667 -6.708 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.960 -2.017 -7.071 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.249 -3.861 -6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.024 -4.466 -7.187 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.860 -4.606 -3.420 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -4.961 -5.769 -6.212 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.291 -6.351 -2.284 1.00 0.00 H new ATOM 1142 N LEU A 82 -5.788 -1.861 -4.066 1.00 0.00 N ATOM 1143 CA LEU A 82 -5.911 -1.197 -2.773 1.00 0.00 C ATOM 1144 C LEU A 82 -5.333 0.213 -2.828 1.00 0.00 C ATOM 1145 O LEU A 82 -5.975 1.176 -2.406 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.199 -2.011 -1.691 1.00 0.00 C ATOM 1147 CG LEU A 82 -5.970 -3.210 -1.137 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.215 -3.839 0.024 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.367 -2.792 -0.703 1.00 0.00 C ATOM 0 H LEU A 82 -4.886 -2.310 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.971 -1.126 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.253 -2.369 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.958 -1.345 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.065 -3.954 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.778 -4.691 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.236 -4.175 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.089 -3.103 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.901 -3.658 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.294 -2.030 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.908 -2.388 -1.559 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.118 0.329 -3.352 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.454 1.622 -3.466 1.00 0.00 C ATOM 1163 C LYS A 83 -4.464 2.730 -3.744 1.00 0.00 C ATOM 1164 O LYS A 83 -4.443 3.780 -3.100 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.405 1.583 -4.580 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.213 2.489 -4.325 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.352 2.642 -5.568 1.00 0.00 C ATOM 1168 CE LYS A 83 -1.020 3.536 -6.601 1.00 0.00 C ATOM 1169 NZ LYS A 83 -0.649 4.967 -6.419 1.00 0.00 N ATOM 0 H LYS A 83 -3.573 -0.457 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.961 1.834 -2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.053 0.558 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.875 1.871 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.563 3.469 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.612 2.080 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.615 3.062 -5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.161 1.661 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.734 3.211 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.102 3.429 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.125 5.544 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.944 5.285 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.381 5.073 -6.514 1.00 0.00 H new ATOM 1183 N THR A 84 -5.350 2.490 -4.706 1.00 0.00 N ATOM 1184 CA THR A 84 -6.368 3.468 -5.069 1.00 0.00 C ATOM 1185 C THR A 84 -6.987 4.103 -3.829 1.00 0.00 C ATOM 1186 O THR A 84 -7.061 5.326 -3.719 1.00 0.00 O ATOM 1187 CB THR A 84 -7.485 2.828 -5.915 1.00 0.00 C ATOM 1188 OG1 THR A 84 -6.935 2.279 -7.118 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.555 3.852 -6.262 1.00 0.00 C ATOM 0 H THR A 84 -5.383 1.626 -5.248 1.00 0.00 H new ATOM 0 HA THR A 84 -5.871 4.238 -5.659 1.00 0.00 H new ATOM 0 HB THR A 84 -7.943 2.031 -5.329 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.651 1.873 -7.649 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.333 3.377 -6.860 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.992 4.247 -5.345 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.108 4.667 -6.831 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.428 3.263 -2.897 1.00 0.00 N ATOM 1198 CA GLN A 85 -8.041 3.745 -1.664 1.00 0.00 C ATOM 1199 C GLN A 85 -7.238 4.898 -1.072 1.00 0.00 C ATOM 1200 O GLN A 85 -7.802 5.912 -0.657 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.149 2.608 -0.647 1.00 0.00 C ATOM 1202 CG GLN A 85 -8.964 1.424 -1.141 1.00 0.00 C ATOM 1203 CD GLN A 85 -10.451 1.599 -0.903 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -11.039 2.609 -1.290 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -11.068 0.613 -0.262 1.00 0.00 N ATOM 0 H GLN A 85 -7.372 2.247 -2.972 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.041 4.108 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.147 2.266 -0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.600 2.992 0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.785 1.284 -2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.624 0.519 -0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.542 -0.206 0.041 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.068 0.675 -0.073 1.00 0.00 H new ATOM 1214 N LEU A 86 -5.920 4.738 -1.036 1.00 0.00 N ATOM 1215 CA LEU A 86 -5.039 5.767 -0.494 1.00 0.00 C ATOM 1216 C LEU A 86 -5.189 7.074 -1.266 1.00 0.00 C ATOM 1217 O LEU A 86 -5.191 8.156 -0.679 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.584 5.297 -0.543 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.240 4.088 0.328 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.942 3.447 -0.138 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -3.140 4.496 1.791 1.00 0.00 C ATOM 0 H LEU A 86 -5.438 3.906 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.323 5.944 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.335 5.058 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.944 6.128 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.040 3.354 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.713 2.588 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.049 3.119 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.132 4.174 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.895 3.623 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.360 5.249 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.094 4.909 2.120 1.00 0.00 H new