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 74 LYS NZ :NH3+ -106:sc= 0.0614 (180deg=-0.0678) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 60 CYS SG : rot 106:sc= 1.6 USER MOD Set 2.2: A 68 CYS SG : rot 114:sc= -0.515 USER MOD Set 2.3: A 73 CYS SG : rot -142:sc= 1.1 USER MOD Set 2.4: A 77 HIS : no HE2:sc= -1.9 X(o=0.28,f=0.72) USER MOD Set 3.1: A 26 CYS SG : rot 131:sc= 0.434 USER MOD Set 3.2: A 34 CYS SG : rot 149:sc= -1.02 USER MOD Set 3.3: A 41 CYS SG : rot 100:sc= 0.0386 USER MOD Set 3.4: A 45 HIS : no HE2:sc= -3.95 K(o=-4.5,f=0.12) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0409 K(o=-0.041,f=-1.1) USER MOD Single : A 30 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.095) USER MOD Single : A 33 THR OG1 : rot -59:sc= 1.22 USER MOD Single : A 35 SER OG : rot -56:sc= 0.309 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 -74:sc= -3.55 USER MOD Single : A 51 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.8) USER MOD Single : A 54 ASN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 63 SER OG : rot -72:sc= -0.0345 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -14! C(o=-14!,f=-12!) USER MOD Single : A 83 LYS NZ :NH3+ -115:sc= 0.149 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.92 K(o=-1.9,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -0.704 7.437 4.873 1.00 0.00 N ATOM 193 CA LEU A 21 -0.362 6.068 4.503 1.00 0.00 C ATOM 194 C LEU A 21 -0.811 5.085 5.579 1.00 0.00 C ATOM 195 O LEU A 21 0.000 4.595 6.367 1.00 0.00 O ATOM 196 CB LEU A 21 1.146 5.942 4.278 1.00 0.00 C ATOM 197 CG LEU A 21 1.667 6.437 2.928 1.00 0.00 C ATOM 198 CD1 LEU A 21 3.159 6.718 3.003 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.368 5.420 1.836 1.00 0.00 C ATOM 0 HA LEU A 21 -0.883 5.827 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.658 6.493 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.423 4.894 4.390 1.00 0.00 H new ATOM 0 HG LEU A 21 1.155 7.367 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.512 7.069 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.348 7.482 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.688 5.804 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.746 5.789 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.853 4.474 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.291 5.268 1.765 1.00 0.00 H new ATOM 211 N THR A 22 -2.109 4.798 5.607 1.00 0.00 N ATOM 212 CA THR A 22 -2.666 3.872 6.585 1.00 0.00 C ATOM 213 C THR A 22 -3.709 2.961 5.948 1.00 0.00 C ATOM 214 O THR A 22 -4.439 3.372 5.045 1.00 0.00 O ATOM 215 CB THR A 22 -3.309 4.623 7.766 1.00 0.00 C ATOM 216 OG1 THR A 22 -3.994 5.788 7.292 1.00 0.00 O ATOM 217 CG2 THR A 22 -2.257 5.028 8.788 1.00 0.00 C ATOM 0 H THR A 22 -2.794 5.194 4.963 1.00 0.00 H new ATOM 0 HA THR A 22 -1.838 3.268 6.956 1.00 0.00 H new ATOM 0 HB THR A 22 -4.022 3.954 8.248 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.401 6.259 8.049 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.735 5.557 9.612 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.758 4.137 9.169 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.523 5.681 8.315 1.00 0.00 H new ATOM 225 N LEU A 23 -3.776 1.723 6.424 1.00 0.00 N ATOM 226 CA LEU A 23 -4.732 0.753 5.901 1.00 0.00 C ATOM 227 C LEU A 23 -5.280 -0.129 7.019 1.00 0.00 C ATOM 228 O LEU A 23 -4.529 -0.607 7.869 1.00 0.00 O ATOM 229 CB LEU A 23 -4.073 -0.115 4.828 1.00 0.00 C ATOM 230 CG LEU A 23 -3.929 0.522 3.445 1.00 0.00 C ATOM 231 CD1 LEU A 23 -3.011 -0.313 2.566 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.293 0.687 2.790 1.00 0.00 C ATOM 0 H LEU A 23 -3.180 1.367 7.171 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.562 1.302 5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.082 -0.402 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.652 -1.033 4.725 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.484 1.510 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.920 0.156 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.026 -0.380 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.427 -1.314 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.172 1.142 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.766 -0.289 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.920 1.327 3.411 1.00 0.00 H new ATOM 244 N GLU A 24 -6.592 -0.342 7.009 1.00 0.00 N ATOM 245 CA GLU A 24 -7.239 -1.168 8.021 1.00 0.00 C ATOM 246 C GLU A 24 -6.791 -2.622 7.905 1.00 0.00 C ATOM 247 O GLU A 24 -7.070 -3.291 6.910 1.00 0.00 O ATOM 248 CB GLU A 24 -8.761 -1.079 7.888 1.00 0.00 C ATOM 249 CG GLU A 24 -9.504 -1.395 9.175 1.00 0.00 C ATOM 250 CD GLU A 24 -9.479 -0.243 10.160 1.00 0.00 C ATOM 251 OE1 GLU A 24 -10.137 0.784 9.889 1.00 0.00 O ATOM 252 OE2 GLU A 24 -8.803 -0.366 11.202 1.00 0.00 O ATOM 0 H GLU A 24 -7.227 0.046 6.312 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.945 -0.793 9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.030 -0.075 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.090 -1.768 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.539 -1.646 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.060 -2.275 9.640 1.00 0.00 H new ATOM 259 N VAL A 25 -6.094 -3.104 8.929 1.00 0.00 N ATOM 260 CA VAL A 25 -5.607 -4.479 8.942 1.00 0.00 C ATOM 261 C VAL A 25 -6.763 -5.470 9.012 1.00 0.00 C ATOM 262 O VAL A 25 -7.691 -5.304 9.804 1.00 0.00 O ATOM 263 CB VAL A 25 -4.660 -4.727 10.131 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.163 -6.165 10.128 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.493 -3.751 10.095 1.00 0.00 C ATOM 0 H VAL A 25 -5.854 -2.563 9.760 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.058 -4.630 8.012 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.214 -4.562 11.055 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.495 -6.321 10.975 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.012 -6.844 10.206 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.625 -6.362 9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.834 -3.940 10.942 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.937 -3.882 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.871 -2.730 10.150 1.00 0.00 H new ATOM 275 N CYS A 26 -6.700 -6.503 8.179 1.00 0.00 N ATOM 276 CA CYS A 26 -7.741 -7.523 8.145 1.00 0.00 C ATOM 277 C CYS A 26 -7.959 -8.124 9.530 1.00 0.00 C ATOM 278 O CYS A 26 -7.003 -8.439 10.239 1.00 0.00 O ATOM 279 CB CYS A 26 -7.371 -8.626 7.151 1.00 0.00 C ATOM 280 SG CYS A 26 -8.514 -10.045 7.155 1.00 0.00 S ATOM 0 H CYS A 26 -5.938 -6.656 7.518 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.669 -7.049 7.824 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.340 -8.201 6.148 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.366 -8.982 7.377 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.861 -10.326 5.934 1.00 0.00 H new ATOM 285 N ARG A 27 -9.224 -8.281 9.909 1.00 0.00 N ATOM 286 CA ARG A 27 -9.568 -8.843 11.209 1.00 0.00 C ATOM 287 C ARG A 27 -9.163 -10.312 11.291 1.00 0.00 C ATOM 288 O ARG A 27 -8.352 -10.696 12.133 1.00 0.00 O ATOM 289 CB ARG A 27 -11.069 -8.701 11.469 1.00 0.00 C ATOM 290 CG ARG A 27 -11.444 -8.793 12.939 1.00 0.00 C ATOM 291 CD ARG A 27 -11.404 -7.429 13.611 1.00 0.00 C ATOM 292 NE ARG A 27 -11.907 -7.479 14.981 1.00 0.00 N ATOM 293 CZ ARG A 27 -13.197 -7.431 15.293 1.00 0.00 C ATOM 294 NH1 ARG A 27 -14.110 -7.332 14.338 1.00 0.00 N ATOM 295 NH2 ARG A 27 -13.576 -7.482 16.564 1.00 0.00 N ATOM 0 H ARG A 27 -10.027 -8.027 9.334 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.020 -8.290 11.972 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.408 -7.743 11.076 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.600 -9.478 10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.443 -9.218 13.035 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.759 -9.471 13.449 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.380 -7.056 13.614 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.998 -6.722 13.032 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.230 -7.555 15.740 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.823 -7.292 13.360 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.100 -7.295 14.581 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.876 -7.558 17.302 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.567 -7.445 16.803 1.00 0.00 H new ATOM 309 N GLN A 28 -9.735 -11.128 10.411 1.00 0.00 N ATOM 310 CA GLN A 28 -9.435 -12.554 10.385 1.00 0.00 C ATOM 311 C GLN A 28 -7.929 -12.794 10.419 1.00 0.00 C ATOM 312 O GLN A 28 -7.448 -13.688 11.116 1.00 0.00 O ATOM 313 CB GLN A 28 -10.039 -13.201 9.138 1.00 0.00 C ATOM 314 CG GLN A 28 -11.549 -13.361 9.205 1.00 0.00 C ATOM 315 CD GLN A 28 -12.190 -13.430 7.833 1.00 0.00 C ATOM 316 OE1 GLN A 28 -11.506 -13.596 6.823 1.00 0.00 O ATOM 317 NE2 GLN A 28 -13.511 -13.304 7.790 1.00 0.00 N ATOM 0 H GLN A 28 -10.408 -10.826 9.707 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.877 -13.009 11.271 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.784 -12.598 8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.585 -14.181 8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.790 -14.267 9.760 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.975 -12.525 9.759 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.039 -13.168 8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.998 -13.343 6.895 1.00 0.00 H new ATOM 326 N PHE A 29 -7.190 -11.990 9.662 1.00 0.00 N ATOM 327 CA PHE A 29 -5.738 -12.116 9.605 1.00 0.00 C ATOM 328 C PHE A 29 -5.129 -12.032 11.001 1.00 0.00 C ATOM 329 O PHE A 29 -4.325 -12.879 11.390 1.00 0.00 O ATOM 330 CB PHE A 29 -5.145 -11.025 8.711 1.00 0.00 C ATOM 331 CG PHE A 29 -3.661 -10.863 8.868 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.798 -11.895 8.537 1.00 0.00 C ATOM 333 CD2 PHE A 29 -3.127 -9.677 9.346 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.432 -11.749 8.681 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.761 -9.524 9.492 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.912 -10.561 9.158 1.00 0.00 C ATOM 0 H PHE A 29 -7.572 -11.245 9.080 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.500 -13.092 9.182 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.369 -11.258 7.670 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.632 -10.076 8.937 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.198 -12.825 8.162 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.786 -8.862 9.608 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.771 -12.563 8.421 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.358 -8.595 9.867 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.156 -10.444 9.269 1.00 0.00 H new ATOM 346 N GLN A 30 -5.518 -11.004 11.749 1.00 0.00 N ATOM 347 CA GLN A 30 -5.010 -10.809 13.101 1.00 0.00 C ATOM 348 C GLN A 30 -5.186 -12.072 13.938 1.00 0.00 C ATOM 349 O GLN A 30 -4.225 -12.593 14.503 1.00 0.00 O ATOM 350 CB GLN A 30 -5.724 -9.634 13.772 1.00 0.00 C ATOM 351 CG GLN A 30 -5.168 -8.277 13.376 1.00 0.00 C ATOM 352 CD GLN A 30 -3.798 -8.011 13.970 1.00 0.00 C ATOM 353 OE1 GLN A 30 -3.679 -7.594 15.123 1.00 0.00 O ATOM 354 NE2 GLN A 30 -2.755 -8.252 13.185 1.00 0.00 N ATOM 0 H GLN A 30 -6.183 -10.294 11.441 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.945 -10.587 13.033 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.783 -9.671 13.519 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.651 -9.745 14.854 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.106 -8.217 12.289 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.858 -7.498 13.700 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.900 -8.597 12.236 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.809 -8.092 13.531 1.00 0.00 H new ATOM 363 N ARG A 31 -6.421 -12.559 14.011 1.00 0.00 N ATOM 364 CA ARG A 31 -6.723 -13.760 14.780 1.00 0.00 C ATOM 365 C ARG A 31 -6.027 -14.978 14.182 1.00 0.00 C ATOM 366 O ARG A 31 -5.680 -15.920 14.893 1.00 0.00 O ATOM 367 CB ARG A 31 -8.234 -13.995 14.826 1.00 0.00 C ATOM 368 CG ARG A 31 -9.022 -12.795 15.327 1.00 0.00 C ATOM 369 CD ARG A 31 -10.462 -13.167 15.643 1.00 0.00 C ATOM 370 NE ARG A 31 -10.555 -14.093 16.768 1.00 0.00 N ATOM 371 CZ ARG A 31 -11.685 -14.680 17.147 1.00 0.00 C ATOM 372 NH1 ARG A 31 -12.812 -14.438 16.492 1.00 0.00 N ATOM 373 NH2 ARG A 31 -11.688 -15.511 18.181 1.00 0.00 N ATOM 0 H ARG A 31 -7.227 -12.141 13.547 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.353 -13.613 15.795 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.583 -14.257 13.827 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.441 -14.850 15.470 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.545 -12.392 16.220 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.005 -12.007 14.574 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.028 -12.264 15.870 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.921 -13.618 14.763 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.705 -14.301 17.292 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.812 -13.800 15.696 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.679 -14.889 16.784 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.822 -15.700 18.686 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.556 -15.961 18.471 1.00 0.00 H new ATOM 387 N GLY A 32 -5.825 -14.953 12.867 1.00 0.00 N ATOM 388 CA GLY A 32 -5.172 -16.060 12.195 1.00 0.00 C ATOM 389 C GLY A 32 -6.160 -17.011 11.548 1.00 0.00 C ATOM 390 O GLY A 32 -5.957 -18.225 11.550 1.00 0.00 O ATOM 0 H GLY A 32 -6.103 -14.185 12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.496 -15.671 11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.562 -16.608 12.913 1.00 0.00 H new ATOM 394 N THR A 33 -7.235 -16.458 10.995 1.00 0.00 N ATOM 395 CA THR A 33 -8.260 -17.264 10.344 1.00 0.00 C ATOM 396 C THR A 33 -8.608 -16.706 8.969 1.00 0.00 C ATOM 397 O THR A 33 -9.759 -16.767 8.536 1.00 0.00 O ATOM 398 CB THR A 33 -9.542 -17.337 11.196 1.00 0.00 C ATOM 399 OG1 THR A 33 -10.538 -18.108 10.516 1.00 0.00 O ATOM 400 CG2 THR A 33 -10.080 -15.943 11.483 1.00 0.00 C ATOM 0 H THR A 33 -7.418 -15.455 10.985 1.00 0.00 H new ATOM 0 HA THR A 33 -7.849 -18.267 10.232 1.00 0.00 H new ATOM 0 HB THR A 33 -9.296 -17.817 12.143 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.732 -17.699 9.647 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.985 -16.019 12.086 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.330 -15.368 12.026 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.311 -15.442 10.543 1.00 0.00 H new ATOM 408 N CYS A 34 -7.606 -16.163 8.286 1.00 0.00 N ATOM 409 CA CYS A 34 -7.805 -15.594 6.958 1.00 0.00 C ATOM 410 C CYS A 34 -6.977 -16.340 5.916 1.00 0.00 C ATOM 411 O CYS A 34 -5.757 -16.190 5.854 1.00 0.00 O ATOM 412 CB CYS A 34 -7.432 -14.110 6.955 1.00 0.00 C ATOM 413 SG CYS A 34 -7.320 -13.375 5.292 1.00 0.00 S ATOM 0 H CYS A 34 -6.648 -16.105 8.630 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.859 -15.698 6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.172 -13.559 7.535 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.474 -13.986 7.461 1.00 0.00 H new ATOM 0 HG CYS A 34 -7.655 -12.120 5.349 1.00 0.00 H new ATOM 418 N SER A 35 -7.650 -17.145 5.100 1.00 0.00 N ATOM 419 CA SER A 35 -6.977 -17.918 4.062 1.00 0.00 C ATOM 420 C SER A 35 -7.170 -17.274 2.693 1.00 0.00 C ATOM 421 O SER A 35 -7.289 -17.965 1.681 1.00 0.00 O ATOM 422 CB SER A 35 -7.505 -19.353 4.043 1.00 0.00 C ATOM 423 OG SER A 35 -6.673 -20.193 3.261 1.00 0.00 O ATOM 0 H SER A 35 -8.660 -17.279 5.137 1.00 0.00 H new ATOM 0 HA SER A 35 -5.911 -17.934 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.560 -19.737 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.519 -19.365 3.643 1.00 0.00 H new ATOM 0 HG SER A 35 -6.595 -19.826 2.356 1.00 0.00 H new ATOM 429 N ARG A 36 -7.201 -15.945 2.670 1.00 0.00 N ATOM 430 CA ARG A 36 -7.381 -15.207 1.426 1.00 0.00 C ATOM 431 C ARG A 36 -6.158 -14.347 1.122 1.00 0.00 C ATOM 432 O ARG A 36 -5.794 -13.468 1.903 1.00 0.00 O ATOM 433 CB ARG A 36 -8.629 -14.325 1.508 1.00 0.00 C ATOM 434 CG ARG A 36 -9.908 -15.103 1.773 1.00 0.00 C ATOM 435 CD ARG A 36 -11.116 -14.417 1.156 1.00 0.00 C ATOM 436 NE ARG A 36 -12.371 -14.907 1.719 1.00 0.00 N ATOM 437 CZ ARG A 36 -12.916 -16.074 1.395 1.00 0.00 C ATOM 438 NH1 ARG A 36 -12.319 -16.867 0.517 1.00 0.00 N ATOM 439 NH2 ARG A 36 -14.061 -16.450 1.951 1.00 0.00 N ATOM 0 H ARG A 36 -7.104 -15.358 3.499 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.506 -15.929 0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.491 -13.588 2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.736 -13.774 0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.813 -16.110 1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.056 -15.206 2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.043 -13.341 1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.114 -14.580 0.078 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.856 -14.321 2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.439 -16.582 0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.740 -17.763 0.270 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.523 -15.843 2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.479 -17.346 1.702 1.00 0.00 H new ATOM 453 N SER A 37 -5.527 -14.608 -0.018 1.00 0.00 N ATOM 454 CA SER A 37 -4.341 -13.861 -0.424 1.00 0.00 C ATOM 455 C SER A 37 -4.637 -12.366 -0.487 1.00 0.00 C ATOM 456 O SER A 37 -5.786 -11.955 -0.644 1.00 0.00 O ATOM 457 CB SER A 37 -3.844 -14.352 -1.785 1.00 0.00 C ATOM 458 OG SER A 37 -3.622 -15.752 -1.772 1.00 0.00 O ATOM 0 H SER A 37 -5.816 -15.331 -0.677 1.00 0.00 H new ATOM 0 HA SER A 37 -3.563 -14.029 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.575 -14.104 -2.554 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.920 -13.836 -2.046 1.00 0.00 H new ATOM 0 HG SER A 37 -3.307 -16.041 -2.654 1.00 0.00 H new ATOM 464 N ASP A 38 -3.590 -11.557 -0.364 1.00 0.00 N ATOM 465 CA ASP A 38 -3.735 -10.107 -0.408 1.00 0.00 C ATOM 466 C ASP A 38 -4.448 -9.670 -1.684 1.00 0.00 C ATOM 467 O ASP A 38 -5.102 -8.629 -1.715 1.00 0.00 O ATOM 468 CB ASP A 38 -2.365 -9.433 -0.318 1.00 0.00 C ATOM 469 CG ASP A 38 -1.882 -9.291 1.112 1.00 0.00 C ATOM 470 OD1 ASP A 38 -2.086 -10.236 1.904 1.00 0.00 O ATOM 471 OD2 ASP A 38 -1.299 -8.236 1.439 1.00 0.00 O ATOM 0 H ASP A 38 -2.632 -11.881 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.339 -9.801 0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.639 -10.014 -0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.417 -8.447 -0.780 1.00 0.00 H new ATOM 476 N GLU A 39 -4.315 -10.474 -2.735 1.00 0.00 N ATOM 477 CA GLU A 39 -4.945 -10.169 -4.014 1.00 0.00 C ATOM 478 C GLU A 39 -6.414 -10.580 -4.008 1.00 0.00 C ATOM 479 O GLU A 39 -7.194 -10.144 -4.855 1.00 0.00 O ATOM 480 CB GLU A 39 -4.209 -10.879 -5.152 1.00 0.00 C ATOM 481 CG GLU A 39 -2.840 -10.293 -5.452 1.00 0.00 C ATOM 482 CD GLU A 39 -1.734 -10.957 -4.656 1.00 0.00 C ATOM 483 OE1 GLU A 39 -1.518 -12.173 -4.842 1.00 0.00 O ATOM 484 OE2 GLU A 39 -1.084 -10.262 -3.847 1.00 0.00 O ATOM 0 H GLU A 39 -3.777 -11.341 -2.725 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.888 -9.092 -4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.096 -11.933 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.820 -10.832 -6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.630 -10.398 -6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.850 -9.225 -5.232 1.00 0.00 H new ATOM 491 N GLU A 40 -6.784 -11.421 -3.048 1.00 0.00 N ATOM 492 CA GLU A 40 -8.159 -11.892 -2.933 1.00 0.00 C ATOM 493 C GLU A 40 -8.913 -11.113 -1.858 1.00 0.00 C ATOM 494 O GLU A 40 -9.957 -10.518 -2.123 1.00 0.00 O ATOM 495 CB GLU A 40 -8.185 -13.387 -2.608 1.00 0.00 C ATOM 496 CG GLU A 40 -9.580 -13.930 -2.353 1.00 0.00 C ATOM 497 CD GLU A 40 -10.545 -13.613 -3.480 1.00 0.00 C ATOM 498 OE1 GLU A 40 -10.305 -14.078 -4.614 1.00 0.00 O ATOM 499 OE2 GLU A 40 -11.539 -12.901 -3.227 1.00 0.00 O ATOM 0 H GLU A 40 -6.151 -11.790 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.653 -11.728 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.735 -13.938 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.567 -13.570 -1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.526 -15.010 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.964 -13.512 -1.423 1.00 0.00 H new ATOM 506 N CYS A 41 -8.375 -11.124 -0.642 1.00 0.00 N ATOM 507 CA CYS A 41 -8.995 -10.421 0.474 1.00 0.00 C ATOM 508 C CYS A 41 -8.996 -8.914 0.235 1.00 0.00 C ATOM 509 O CYS A 41 -8.011 -8.348 -0.239 1.00 0.00 O ATOM 510 CB CYS A 41 -8.260 -10.742 1.777 1.00 0.00 C ATOM 511 SG CYS A 41 -9.275 -10.528 3.275 1.00 0.00 S ATOM 0 H CYS A 41 -7.511 -11.612 -0.405 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.028 -10.758 0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.903 -11.771 1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.380 -10.103 1.853 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.714 -11.686 3.671 1.00 0.00 H new ATOM 516 N LYS A 42 -10.109 -8.268 0.568 1.00 0.00 N ATOM 517 CA LYS A 42 -10.240 -6.827 0.392 1.00 0.00 C ATOM 518 C LYS A 42 -9.640 -6.078 1.577 1.00 0.00 C ATOM 519 O LYS A 42 -10.120 -5.009 1.956 1.00 0.00 O ATOM 520 CB LYS A 42 -11.712 -6.444 0.225 1.00 0.00 C ATOM 521 CG LYS A 42 -12.405 -7.175 -0.912 1.00 0.00 C ATOM 522 CD LYS A 42 -13.856 -6.744 -1.050 1.00 0.00 C ATOM 523 CE LYS A 42 -14.719 -7.328 0.058 1.00 0.00 C ATOM 524 NZ LYS A 42 -16.041 -6.648 0.148 1.00 0.00 N ATOM 0 H LYS A 42 -10.934 -8.721 0.962 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.694 -6.545 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.241 -6.652 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.782 -5.370 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.877 -6.982 -1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.359 -8.250 -0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.917 -5.656 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.241 -7.063 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.870 -8.392 -0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.198 -7.236 1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.599 -7.075 0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.899 -5.637 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.550 -6.757 -0.753 1.00 0.00 H new ATOM 538 N PHE A 43 -8.588 -6.644 2.159 1.00 0.00 N ATOM 539 CA PHE A 43 -7.922 -6.029 3.301 1.00 0.00 C ATOM 540 C PHE A 43 -6.407 -6.168 3.188 1.00 0.00 C ATOM 541 O PHE A 43 -5.902 -6.887 2.326 1.00 0.00 O ATOM 542 CB PHE A 43 -8.408 -6.665 4.605 1.00 0.00 C ATOM 543 CG PHE A 43 -9.805 -6.263 4.984 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.889 -6.677 4.227 1.00 0.00 C ATOM 545 CD2 PHE A 43 -10.034 -5.471 6.097 1.00 0.00 C ATOM 546 CE1 PHE A 43 -12.176 -6.310 4.573 1.00 0.00 C ATOM 547 CE2 PHE A 43 -11.318 -5.101 6.449 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.390 -5.519 5.685 1.00 0.00 C ATOM 0 H PHE A 43 -8.178 -7.528 1.858 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.172 -4.968 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.364 -7.750 4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.728 -6.388 5.410 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.726 -7.294 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.199 -5.139 6.697 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -13.012 -6.641 3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -11.483 -4.485 7.321 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.394 -5.228 5.957 1.00 0.00 H new ATOM 558 N ALA A 44 -5.688 -5.475 4.064 1.00 0.00 N ATOM 559 CA ALA A 44 -4.231 -5.522 4.064 1.00 0.00 C ATOM 560 C ALA A 44 -3.712 -6.466 5.144 1.00 0.00 C ATOM 561 O ALA A 44 -4.162 -6.422 6.289 1.00 0.00 O ATOM 562 CB ALA A 44 -3.658 -4.126 4.261 1.00 0.00 C ATOM 0 H ALA A 44 -6.091 -4.874 4.783 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.904 -5.904 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.569 -4.176 4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.993 -3.478 3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.001 -3.723 5.214 1.00 0.00 H new ATOM 568 N HIS A 45 -2.764 -7.319 4.771 1.00 0.00 N ATOM 569 CA HIS A 45 -2.184 -8.274 5.709 1.00 0.00 C ATOM 570 C HIS A 45 -0.686 -8.033 5.874 1.00 0.00 C ATOM 571 O HIS A 45 0.138 -8.555 5.122 1.00 0.00 O ATOM 572 CB HIS A 45 -2.432 -9.705 5.231 1.00 0.00 C ATOM 573 CG HIS A 45 -3.862 -9.981 4.883 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.255 -11.049 4.104 1.00 0.00 N ATOM 575 CD2 HIS A 45 -4.997 -9.321 5.214 1.00 0.00 C ATOM 576 CE1 HIS A 45 -5.569 -11.033 3.969 1.00 0.00 C ATOM 577 NE2 HIS A 45 -6.043 -9.995 4.634 1.00 0.00 N ATOM 0 H HIS A 45 -2.381 -7.369 3.827 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.666 -8.133 6.677 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.810 -9.900 4.358 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.116 -10.399 6.009 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.629 -11.743 3.696 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.066 -8.430 5.821 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.156 -11.747 3.410 1.00 0.00 H new ATOM 585 N PRO A 46 -0.324 -7.223 6.879 1.00 0.00 N ATOM 586 CA PRO A 46 1.075 -6.894 7.166 1.00 0.00 C ATOM 587 C PRO A 46 1.850 -8.086 7.717 1.00 0.00 C ATOM 588 O PRO A 46 1.487 -8.677 8.734 1.00 0.00 O ATOM 589 CB PRO A 46 0.971 -5.790 8.221 1.00 0.00 C ATOM 590 CG PRO A 46 -0.345 -6.020 8.881 1.00 0.00 C ATOM 591 CD PRO A 46 -1.253 -6.566 7.815 1.00 0.00 C ATOM 0 HA PRO A 46 1.615 -6.595 6.268 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.789 -5.849 8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.018 -4.801 7.765 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.249 -6.722 9.709 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.742 -5.093 9.294 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.976 -7.271 8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.822 -5.774 7.327 1.00 0.00 H new ATOM 599 N PRO A 47 2.945 -8.449 7.032 1.00 0.00 N ATOM 600 CA PRO A 47 3.794 -9.574 7.435 1.00 0.00 C ATOM 601 C PRO A 47 4.572 -9.283 8.714 1.00 0.00 C ATOM 602 O PRO A 47 4.628 -8.142 9.174 1.00 0.00 O ATOM 603 CB PRO A 47 4.752 -9.737 6.253 1.00 0.00 C ATOM 604 CG PRO A 47 4.802 -8.391 5.617 1.00 0.00 C ATOM 605 CD PRO A 47 3.437 -7.790 5.811 1.00 0.00 C ATOM 0 HA PRO A 47 3.210 -10.468 7.654 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.740 -10.055 6.585 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.393 -10.492 5.554 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.571 -7.770 6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.047 -8.469 4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.488 -6.708 5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.787 -7.986 4.959 1.00 0.00 H new ATOM 613 N LYS A 48 5.172 -10.322 9.286 1.00 0.00 N ATOM 614 CA LYS A 48 5.948 -10.179 10.511 1.00 0.00 C ATOM 615 C LYS A 48 7.040 -9.126 10.344 1.00 0.00 C ATOM 616 O LYS A 48 7.202 -8.247 11.190 1.00 0.00 O ATOM 617 CB LYS A 48 6.574 -11.520 10.903 1.00 0.00 C ATOM 618 CG LYS A 48 5.633 -12.425 11.679 1.00 0.00 C ATOM 619 CD LYS A 48 5.741 -12.189 13.176 1.00 0.00 C ATOM 620 CE LYS A 48 5.056 -10.894 13.586 1.00 0.00 C ATOM 621 NZ LYS A 48 4.768 -10.857 15.047 1.00 0.00 N ATOM 0 H LYS A 48 5.135 -11.273 8.920 1.00 0.00 H new ATOM 0 HA LYS A 48 5.273 -9.855 11.303 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.900 -12.037 10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.464 -11.334 11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.607 -12.249 11.355 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.863 -13.467 11.456 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.291 -13.025 13.711 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.791 -12.154 13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.689 -10.048 13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.125 -10.783 13.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.301 -9.959 15.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.143 -11.650 15.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.658 -10.937 15.578 1.00 0.00 H new ATOM 635 N SER A 49 7.784 -9.222 9.247 1.00 0.00 N ATOM 636 CA SER A 49 8.862 -8.280 8.970 1.00 0.00 C ATOM 637 C SER A 49 8.351 -6.842 9.013 1.00 0.00 C ATOM 638 O SER A 49 9.015 -5.952 9.546 1.00 0.00 O ATOM 639 CB SER A 49 9.484 -8.571 7.603 1.00 0.00 C ATOM 640 OG SER A 49 10.152 -9.820 7.602 1.00 0.00 O ATOM 0 H SER A 49 7.660 -9.942 8.536 1.00 0.00 H new ATOM 0 HA SER A 49 9.623 -8.401 9.741 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.707 -8.570 6.839 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.187 -7.779 7.344 1.00 0.00 H new ATOM 0 HG SER A 49 10.539 -9.983 6.717 1.00 0.00 H new ATOM 646 N CYS A 50 7.169 -6.625 8.449 1.00 0.00 N ATOM 647 CA CYS A 50 6.568 -5.296 8.422 1.00 0.00 C ATOM 648 C CYS A 50 5.914 -4.967 9.760 1.00 0.00 C ATOM 649 O CYS A 50 5.068 -5.716 10.248 1.00 0.00 O ATOM 650 CB CYS A 50 5.534 -5.204 7.299 1.00 0.00 C ATOM 651 SG CYS A 50 6.239 -5.303 5.637 1.00 0.00 S ATOM 0 H CYS A 50 6.608 -7.351 8.004 1.00 0.00 H new ATOM 0 HA CYS A 50 7.360 -4.570 8.237 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.807 -6.007 7.422 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.990 -4.264 7.396 1.00 0.00 H new ATOM 0 HG CYS A 50 6.832 -4.182 5.350 1.00 0.00 H new ATOM 657 N GLN A 51 6.312 -3.844 10.348 1.00 0.00 N ATOM 658 CA GLN A 51 5.766 -3.418 11.631 1.00 0.00 C ATOM 659 C GLN A 51 4.271 -3.138 11.520 1.00 0.00 C ATOM 660 O GLN A 51 3.786 -2.701 10.476 1.00 0.00 O ATOM 661 CB GLN A 51 6.495 -2.170 12.130 1.00 0.00 C ATOM 662 CG GLN A 51 6.161 -1.804 13.568 1.00 0.00 C ATOM 663 CD GLN A 51 6.756 -2.773 14.570 1.00 0.00 C ATOM 664 OE1 GLN A 51 6.312 -3.916 14.684 1.00 0.00 O ATOM 665 NE2 GLN A 51 7.767 -2.321 15.303 1.00 0.00 N ATOM 0 H GLN A 51 7.011 -3.212 9.956 1.00 0.00 H new ATOM 0 HA GLN A 51 5.913 -4.227 12.347 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.570 -2.329 12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.244 -1.330 11.482 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.528 -0.799 13.778 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.078 -1.780 13.691 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.103 -1.366 15.175 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.208 -2.928 15.994 1.00 0.00 H new ATOM 674 N VAL A 52 3.544 -3.394 12.603 1.00 0.00 N ATOM 675 CA VAL A 52 2.104 -3.169 12.628 1.00 0.00 C ATOM 676 C VAL A 52 1.722 -2.174 13.718 1.00 0.00 C ATOM 677 O VAL A 52 2.164 -2.290 14.860 1.00 0.00 O ATOM 678 CB VAL A 52 1.334 -4.484 12.856 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.163 -4.222 12.917 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.664 -5.490 11.764 1.00 0.00 C ATOM 0 H VAL A 52 3.929 -3.757 13.475 1.00 0.00 H new ATOM 0 HA VAL A 52 1.831 -2.761 11.655 1.00 0.00 H new ATOM 0 HB VAL A 52 1.644 -4.906 13.812 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.691 -5.162 13.078 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.380 -3.539 13.738 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.493 -3.777 11.978 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.112 -6.413 11.941 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.384 -5.079 10.794 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.734 -5.700 11.774 1.00 0.00 H new ATOM 690 N GLU A 53 0.897 -1.196 13.356 1.00 0.00 N ATOM 691 CA GLU A 53 0.456 -0.179 14.304 1.00 0.00 C ATOM 692 C GLU A 53 -0.774 -0.651 15.074 1.00 0.00 C ATOM 693 O GLU A 53 -1.405 -1.643 14.710 1.00 0.00 O ATOM 694 CB GLU A 53 0.144 1.129 13.575 1.00 0.00 C ATOM 695 CG GLU A 53 1.376 1.963 13.266 1.00 0.00 C ATOM 696 CD GLU A 53 2.496 1.144 12.653 1.00 0.00 C ATOM 697 OE1 GLU A 53 3.253 0.508 13.415 1.00 0.00 O ATOM 698 OE2 GLU A 53 2.614 1.141 11.410 1.00 0.00 O ATOM 0 H GLU A 53 0.521 -1.087 12.414 1.00 0.00 H new ATOM 0 HA GLU A 53 1.264 -0.006 15.014 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.373 0.901 12.643 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.541 1.720 14.183 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.104 2.768 12.583 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.733 2.431 14.183 1.00 0.00 H new ATOM 705 N ASN A 54 -1.108 0.067 16.142 1.00 0.00 N ATOM 706 CA ASN A 54 -2.262 -0.279 16.964 1.00 0.00 C ATOM 707 C ASN A 54 -3.514 -0.437 16.107 1.00 0.00 C ATOM 708 O ASN A 54 -4.074 0.545 15.621 1.00 0.00 O ATOM 709 CB ASN A 54 -2.492 0.794 18.031 1.00 0.00 C ATOM 710 CG ASN A 54 -1.474 0.722 19.153 1.00 0.00 C ATOM 711 OD1 ASN A 54 -1.767 0.226 20.241 1.00 0.00 O ATOM 712 ND2 ASN A 54 -0.270 1.218 18.892 1.00 0.00 N ATOM 0 H ASN A 54 -0.596 0.891 16.458 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.057 -1.231 17.453 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.448 1.779 17.567 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.494 0.681 18.445 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.456 1.197 19.608 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.072 1.620 17.976 1.00 0.00 H new ATOM 719 N GLY A 55 -3.948 -1.680 15.927 1.00 0.00 N ATOM 720 CA GLY A 55 -5.131 -1.945 15.129 1.00 0.00 C ATOM 721 C GLY A 55 -5.038 -1.347 13.739 1.00 0.00 C ATOM 722 O GLY A 55 -6.055 -1.139 13.076 1.00 0.00 O ATOM 0 H GLY A 55 -3.502 -2.509 16.320 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.278 -3.022 15.049 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.007 -1.541 15.637 1.00 0.00 H new ATOM 726 N ARG A 56 -3.816 -1.067 13.297 1.00 0.00 N ATOM 727 CA ARG A 56 -3.595 -0.486 11.978 1.00 0.00 C ATOM 728 C ARG A 56 -2.187 -0.794 11.478 1.00 0.00 C ATOM 729 O ARG A 56 -1.365 -1.349 12.207 1.00 0.00 O ATOM 730 CB ARG A 56 -3.814 1.027 12.021 1.00 0.00 C ATOM 731 CG ARG A 56 -4.347 1.603 10.719 1.00 0.00 C ATOM 732 CD ARG A 56 -4.965 2.976 10.929 1.00 0.00 C ATOM 733 NE ARG A 56 -5.966 3.288 9.913 1.00 0.00 N ATOM 734 CZ ARG A 56 -7.207 2.815 9.935 1.00 0.00 C ATOM 735 NH1 ARG A 56 -7.598 2.014 10.916 1.00 0.00 N ATOM 736 NH2 ARG A 56 -8.061 3.144 8.973 1.00 0.00 N ATOM 0 H ARG A 56 -2.964 -1.233 13.833 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.312 -0.930 11.287 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.512 1.262 12.825 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.871 1.515 12.265 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.537 1.675 9.993 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.092 0.928 10.299 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.425 3.019 11.916 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.181 3.733 10.910 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.698 3.903 9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.945 1.759 11.657 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.552 1.653 10.930 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.764 3.760 8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.014 2.780 8.991 1.00 0.00 H new ATOM 750 N VAL A 57 -1.916 -0.430 10.228 1.00 0.00 N ATOM 751 CA VAL A 57 -0.607 -0.666 9.630 1.00 0.00 C ATOM 752 C VAL A 57 -0.284 0.392 8.581 1.00 0.00 C ATOM 753 O VAL A 57 -1.139 0.765 7.777 1.00 0.00 O ATOM 754 CB VAL A 57 -0.531 -2.060 8.979 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.553 -2.183 7.859 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.874 -2.330 8.462 1.00 0.00 C ATOM 0 H VAL A 57 -2.585 0.029 9.610 1.00 0.00 H new ATOM 0 HA VAL A 57 0.125 -0.609 10.436 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.765 -2.809 9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.484 -3.174 7.411 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.555 -2.036 8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.353 -1.427 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.910 -3.319 8.005 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.139 -1.578 7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.581 -2.287 9.290 1.00 0.00 H new ATOM 766 N ILE A 58 0.956 0.870 8.593 1.00 0.00 N ATOM 767 CA ILE A 58 1.393 1.883 7.641 1.00 0.00 C ATOM 768 C ILE A 58 1.867 1.247 6.339 1.00 0.00 C ATOM 769 O ILE A 58 2.612 0.267 6.350 1.00 0.00 O ATOM 770 CB ILE A 58 2.529 2.747 8.220 1.00 0.00 C ATOM 771 CG1 ILE A 58 2.045 3.497 9.463 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.039 3.724 7.171 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.170 3.981 10.352 1.00 0.00 C ATOM 0 H ILE A 58 1.675 0.572 9.252 1.00 0.00 H new ATOM 0 HA ILE A 58 0.531 2.518 7.439 1.00 0.00 H new ATOM 0 HB ILE A 58 3.352 2.093 8.510 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.445 4.352 9.151 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.392 2.843 10.041 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.841 4.327 7.595 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.417 3.170 6.311 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.224 4.375 6.854 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.754 4.504 11.213 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.756 3.128 10.694 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.811 4.660 9.790 1.00 0.00 H new ATOM 785 N ALA A 59 1.430 1.811 5.218 1.00 0.00 N ATOM 786 CA ALA A 59 1.813 1.301 3.907 1.00 0.00 C ATOM 787 C ALA A 59 3.168 1.853 3.477 1.00 0.00 C ATOM 788 O ALA A 59 3.527 2.980 3.818 1.00 0.00 O ATOM 789 CB ALA A 59 0.749 1.646 2.875 1.00 0.00 C ATOM 0 H ALA A 59 0.811 2.621 5.191 1.00 0.00 H new ATOM 0 HA ALA A 59 1.898 0.217 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.048 1.259 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.201 1.198 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.636 2.729 2.816 1.00 0.00 H new ATOM 795 N CYS A 60 3.917 1.052 2.727 1.00 0.00 N ATOM 796 CA CYS A 60 5.234 1.459 2.251 1.00 0.00 C ATOM 797 C CYS A 60 5.113 2.487 1.131 1.00 0.00 C ATOM 798 O CYS A 60 4.191 2.429 0.316 1.00 0.00 O ATOM 799 CB CYS A 60 6.020 0.242 1.760 1.00 0.00 C ATOM 800 SG CYS A 60 7.691 0.634 1.149 1.00 0.00 S ATOM 0 H CYS A 60 3.634 0.116 2.435 1.00 0.00 H new ATOM 0 HA CYS A 60 5.769 1.916 3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.102 -0.477 2.575 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.457 -0.243 0.962 1.00 0.00 H new ATOM 0 HG CYS A 60 8.574 0.249 2.022 1.00 0.00 H new ATOM 805 N PHE A 61 6.050 3.429 1.096 1.00 0.00 N ATOM 806 CA PHE A 61 6.049 4.471 0.076 1.00 0.00 C ATOM 807 C PHE A 61 6.574 3.934 -1.252 1.00 0.00 C ATOM 808 O PHE A 61 5.922 4.063 -2.288 1.00 0.00 O ATOM 809 CB PHE A 61 6.899 5.660 0.530 1.00 0.00 C ATOM 810 CG PHE A 61 6.813 6.844 -0.390 1.00 0.00 C ATOM 811 CD1 PHE A 61 5.734 7.712 -0.325 1.00 0.00 C ATOM 812 CD2 PHE A 61 7.811 7.090 -1.319 1.00 0.00 C ATOM 813 CE1 PHE A 61 5.652 8.803 -1.169 1.00 0.00 C ATOM 814 CE2 PHE A 61 7.734 8.180 -2.166 1.00 0.00 C ATOM 815 CZ PHE A 61 6.653 9.036 -2.092 1.00 0.00 C ATOM 0 H PHE A 61 6.820 3.492 1.762 1.00 0.00 H new ATOM 0 HA PHE A 61 5.020 4.802 -0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.583 5.962 1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.939 5.344 0.607 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.948 7.533 0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.658 6.423 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.807 9.472 -1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.519 8.362 -2.885 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.590 9.886 -2.755 1.00 0.00 H new ATOM 825 N ASP A 62 7.757 3.331 -1.212 1.00 0.00 N ATOM 826 CA ASP A 62 8.372 2.773 -2.411 1.00 0.00 C ATOM 827 C ASP A 62 7.445 1.758 -3.075 1.00 0.00 C ATOM 828 O ASP A 62 7.174 1.841 -4.272 1.00 0.00 O ATOM 829 CB ASP A 62 9.707 2.112 -2.066 1.00 0.00 C ATOM 830 CG ASP A 62 10.788 3.126 -1.745 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.908 3.510 -0.563 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.514 3.536 -2.675 1.00 0.00 O ATOM 0 H ASP A 62 8.309 3.216 -0.362 1.00 0.00 H new ATOM 0 HA ASP A 62 8.550 3.589 -3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.571 1.448 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.030 1.493 -2.903 1.00 0.00 H new ATOM 837 N SER A 63 6.964 0.801 -2.288 1.00 0.00 N ATOM 838 CA SER A 63 6.072 -0.233 -2.800 1.00 0.00 C ATOM 839 C SER A 63 5.064 0.357 -3.782 1.00 0.00 C ATOM 840 O SER A 63 4.847 -0.185 -4.867 1.00 0.00 O ATOM 841 CB SER A 63 5.336 -0.918 -1.647 1.00 0.00 C ATOM 842 OG SER A 63 4.209 -0.161 -1.239 1.00 0.00 O ATOM 0 H SER A 63 7.177 0.720 -1.294 1.00 0.00 H new ATOM 0 HA SER A 63 6.677 -0.972 -3.326 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.017 -1.913 -1.956 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.015 -1.048 -0.804 1.00 0.00 H new ATOM 0 HG SER A 63 4.509 0.641 -0.762 1.00 0.00 H new ATOM 848 N LEU A 64 4.452 1.470 -3.394 1.00 0.00 N ATOM 849 CA LEU A 64 3.466 2.135 -4.239 1.00 0.00 C ATOM 850 C LEU A 64 3.918 2.148 -5.696 1.00 0.00 C ATOM 851 O LEU A 64 3.125 1.906 -6.606 1.00 0.00 O ATOM 852 CB LEU A 64 3.232 3.567 -3.754 1.00 0.00 C ATOM 853 CG LEU A 64 2.812 3.719 -2.291 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.843 5.182 -1.877 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.427 3.129 -2.070 1.00 0.00 C ATOM 0 H LEU A 64 4.621 1.931 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 64 2.532 1.578 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.148 4.136 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.464 4.021 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 64 3.521 3.172 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.541 5.271 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.853 5.573 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.157 5.752 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.144 3.246 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.705 3.648 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.438 2.070 -2.327 1.00 0.00 H new ATOM 867 N LYS A 65 5.199 2.430 -5.910 1.00 0.00 N ATOM 868 CA LYS A 65 5.759 2.471 -7.256 1.00 0.00 C ATOM 869 C LYS A 65 5.853 1.069 -7.849 1.00 0.00 C ATOM 870 O LYS A 65 5.729 0.888 -9.060 1.00 0.00 O ATOM 871 CB LYS A 65 7.145 3.121 -7.234 1.00 0.00 C ATOM 872 CG LYS A 65 7.131 4.568 -6.772 1.00 0.00 C ATOM 873 CD LYS A 65 6.920 5.523 -7.934 1.00 0.00 C ATOM 874 CE LYS A 65 7.228 6.959 -7.539 1.00 0.00 C ATOM 875 NZ LYS A 65 6.091 7.591 -6.816 1.00 0.00 N ATOM 0 H LYS A 65 5.869 2.634 -5.168 1.00 0.00 H new ATOM 0 HA LYS A 65 5.094 3.067 -7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.797 2.545 -6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.576 3.072 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.339 4.708 -6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.073 4.801 -6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.558 5.229 -8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.889 5.453 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.116 6.979 -6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.458 7.540 -8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.340 8.569 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.250 7.595 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.887 7.052 -5.950 1.00 0.00 H new ATOM 889 N GLY A 66 6.071 0.080 -6.988 1.00 0.00 N ATOM 890 CA GLY A 66 6.176 -1.293 -7.446 1.00 0.00 C ATOM 891 C GLY A 66 7.567 -1.863 -7.256 1.00 0.00 C ATOM 892 O GLY A 66 7.777 -3.068 -7.401 1.00 0.00 O ATOM 0 H GLY A 66 6.177 0.205 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.457 -1.909 -6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.908 -1.342 -8.501 1.00 0.00 H new ATOM 896 N ARG A 67 8.521 -0.996 -6.932 1.00 0.00 N ATOM 897 CA ARG A 67 9.900 -1.420 -6.725 1.00 0.00 C ATOM 898 C ARG A 67 10.452 -0.857 -5.418 1.00 0.00 C ATOM 899 O ARG A 67 10.775 0.328 -5.327 1.00 0.00 O ATOM 900 CB ARG A 67 10.776 -0.971 -7.896 1.00 0.00 C ATOM 901 CG ARG A 67 12.239 -1.354 -7.744 1.00 0.00 C ATOM 902 CD ARG A 67 13.097 -0.715 -8.825 1.00 0.00 C ATOM 903 NE ARG A 67 14.371 -1.409 -8.995 1.00 0.00 N ATOM 904 CZ ARG A 67 15.455 -1.142 -8.274 1.00 0.00 C ATOM 905 NH1 ARG A 67 15.419 -0.202 -7.340 1.00 0.00 N ATOM 906 NH2 ARG A 67 16.577 -1.817 -8.488 1.00 0.00 N ATOM 0 H ARG A 67 8.364 0.004 -6.807 1.00 0.00 H new ATOM 0 HA ARG A 67 9.914 -2.508 -6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.389 -1.407 -8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.701 0.111 -8.000 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.597 -1.044 -6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.339 -2.438 -7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.553 -0.720 -9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.284 0.328 -8.570 1.00 0.00 H new ATOM 0 HE ARG A 67 14.432 -2.138 -9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.558 0.318 -7.173 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.252 0.001 -6.788 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.608 -2.541 -9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.409 -1.612 -7.935 1.00 0.00 H new ATOM 920 N CYS A 68 10.556 -1.714 -4.408 1.00 0.00 N ATOM 921 CA CYS A 68 11.067 -1.303 -3.106 1.00 0.00 C ATOM 922 C CYS A 68 12.529 -1.708 -2.942 1.00 0.00 C ATOM 923 O CYS A 68 13.003 -2.637 -3.596 1.00 0.00 O ATOM 924 CB CYS A 68 10.227 -1.921 -1.986 1.00 0.00 C ATOM 925 SG CYS A 68 10.761 -1.451 -0.309 1.00 0.00 S ATOM 0 H CYS A 68 10.293 -2.698 -4.466 1.00 0.00 H new ATOM 0 HA CYS A 68 11.000 -0.217 -3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.187 -1.624 -2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.263 -3.007 -2.076 1.00 0.00 H new ATOM 0 HG CYS A 68 9.833 -0.738 0.258 1.00 0.00 H new ATOM 930 N SER A 69 13.238 -1.005 -2.065 1.00 0.00 N ATOM 931 CA SER A 69 14.647 -1.288 -1.818 1.00 0.00 C ATOM 932 C SER A 69 14.882 -1.638 -0.351 1.00 0.00 C ATOM 933 O SER A 69 15.543 -2.627 -0.036 1.00 0.00 O ATOM 934 CB SER A 69 15.508 -0.086 -2.211 1.00 0.00 C ATOM 935 OG SER A 69 16.845 -0.478 -2.466 1.00 0.00 O ATOM 0 H SER A 69 12.860 -0.235 -1.513 1.00 0.00 H new ATOM 0 HA SER A 69 14.932 -2.145 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.090 0.390 -3.098 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.489 0.655 -1.412 1.00 0.00 H new ATOM 0 HG SER A 69 17.374 0.308 -2.717 1.00 0.00 H new ATOM 941 N ARG A 70 14.334 -0.819 0.541 1.00 0.00 N ATOM 942 CA ARG A 70 14.484 -1.039 1.974 1.00 0.00 C ATOM 943 C ARG A 70 14.513 -2.531 2.294 1.00 0.00 C ATOM 944 O ARG A 70 13.532 -3.241 2.074 1.00 0.00 O ATOM 945 CB ARG A 70 13.343 -0.365 2.737 1.00 0.00 C ATOM 946 CG ARG A 70 13.579 1.113 3.003 1.00 0.00 C ATOM 947 CD ARG A 70 14.281 1.335 4.334 1.00 0.00 C ATOM 948 NE ARG A 70 15.119 2.531 4.318 1.00 0.00 N ATOM 949 CZ ARG A 70 15.529 3.156 5.416 1.00 0.00 C ATOM 950 NH1 ARG A 70 15.180 2.700 6.612 1.00 0.00 N ATOM 951 NH2 ARG A 70 16.289 4.239 5.320 1.00 0.00 N ATOM 0 H ARG A 70 13.782 0.003 0.296 1.00 0.00 H new ATOM 0 HA ARG A 70 15.431 -0.599 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.419 -0.481 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.200 -0.878 3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.180 1.537 2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.625 1.641 3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.537 1.424 5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.895 0.466 4.570 1.00 0.00 H new ATOM 0 HE ARG A 70 15.405 2.907 3.414 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.596 1.868 6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.496 3.182 7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 70 16.559 4.593 4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.603 4.718 6.164 1.00 0.00 H new ATOM 965 N GLU A 71 15.644 -2.998 2.813 1.00 0.00 N ATOM 966 CA GLU A 71 15.800 -4.405 3.162 1.00 0.00 C ATOM 967 C GLU A 71 14.777 -4.821 4.216 1.00 0.00 C ATOM 968 O GLU A 71 13.841 -5.565 3.928 1.00 0.00 O ATOM 969 CB GLU A 71 17.216 -4.673 3.676 1.00 0.00 C ATOM 970 CG GLU A 71 17.600 -6.143 3.664 1.00 0.00 C ATOM 971 CD GLU A 71 18.220 -6.572 2.348 1.00 0.00 C ATOM 972 OE1 GLU A 71 17.460 -6.897 1.412 1.00 0.00 O ATOM 973 OE2 GLU A 71 19.465 -6.584 2.255 1.00 0.00 O ATOM 0 H GLU A 71 16.465 -2.423 3.001 1.00 0.00 H new ATOM 0 HA GLU A 71 15.630 -4.996 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.927 -4.116 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.302 -4.292 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.303 -6.338 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 71 16.714 -6.748 3.859 1.00 0.00 H new ATOM 980 N ASN A 72 14.965 -4.335 5.439 1.00 0.00 N ATOM 981 CA ASN A 72 14.061 -4.657 6.536 1.00 0.00 C ATOM 982 C ASN A 72 12.880 -3.691 6.569 1.00 0.00 C ATOM 983 O ASN A 72 12.388 -3.331 7.638 1.00 0.00 O ATOM 984 CB ASN A 72 14.808 -4.611 7.871 1.00 0.00 C ATOM 985 CG ASN A 72 16.213 -5.172 7.766 1.00 0.00 C ATOM 986 OD1 ASN A 72 16.407 -6.315 7.351 1.00 0.00 O ATOM 987 ND2 ASN A 72 17.200 -4.369 8.144 1.00 0.00 N ATOM 0 H ASN A 72 15.735 -3.717 5.695 1.00 0.00 H new ATOM 0 HA ASN A 72 13.680 -5.665 6.375 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.856 -3.580 8.222 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.249 -5.176 8.617 1.00 0.00 H new ATOM 0 HD21 ASN A 72 18.166 -4.692 8.097 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.992 -3.429 8.481 1.00 0.00 H new ATOM 994 N CYS A 73 12.429 -3.276 5.389 1.00 0.00 N ATOM 995 CA CYS A 73 11.306 -2.353 5.281 1.00 0.00 C ATOM 996 C CYS A 73 10.243 -2.664 6.331 1.00 0.00 C ATOM 997 O CYS A 73 9.623 -3.727 6.307 1.00 0.00 O ATOM 998 CB CYS A 73 10.693 -2.426 3.881 1.00 0.00 C ATOM 999 SG CYS A 73 9.645 -0.998 3.454 1.00 0.00 S ATOM 0 H CYS A 73 12.825 -3.565 4.494 1.00 0.00 H new ATOM 0 HA CYS A 73 11.679 -1.344 5.455 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.496 -2.506 3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.098 -3.336 3.803 1.00 0.00 H new ATOM 0 HG CYS A 73 8.623 -1.402 2.760 1.00 0.00 H new ATOM 1004 N LYS A 74 10.039 -1.728 7.252 1.00 0.00 N ATOM 1005 CA LYS A 74 9.051 -1.899 8.311 1.00 0.00 C ATOM 1006 C LYS A 74 7.679 -1.410 7.858 1.00 0.00 C ATOM 1007 O LYS A 74 6.917 -0.850 8.648 1.00 0.00 O ATOM 1008 CB LYS A 74 9.485 -1.143 9.569 1.00 0.00 C ATOM 1009 CG LYS A 74 9.503 0.366 9.395 1.00 0.00 C ATOM 1010 CD LYS A 74 10.068 1.061 10.623 1.00 0.00 C ATOM 1011 CE LYS A 74 9.002 1.262 11.689 1.00 0.00 C ATOM 1012 NZ LYS A 74 7.989 2.273 11.278 1.00 0.00 N ATOM 0 H LYS A 74 10.545 -0.843 7.286 1.00 0.00 H new ATOM 0 HA LYS A 74 8.981 -2.962 8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.811 -1.398 10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.480 -1.479 9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.101 0.626 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.491 0.724 9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.887 0.470 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.484 2.027 10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.506 0.312 11.890 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.474 1.578 12.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.143 3.154 11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.080 2.461 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.035 1.910 11.479 1.00 0.00 H new ATOM 1026 N TYR A 75 7.369 -1.625 6.585 1.00 0.00 N ATOM 1027 CA TYR A 75 6.089 -1.204 6.028 1.00 0.00 C ATOM 1028 C TYR A 75 5.533 -2.263 5.080 1.00 0.00 C ATOM 1029 O TYR A 75 6.269 -2.851 4.286 1.00 0.00 O ATOM 1030 CB TYR A 75 6.243 0.127 5.289 1.00 0.00 C ATOM 1031 CG TYR A 75 6.802 1.236 6.151 1.00 0.00 C ATOM 1032 CD1 TYR A 75 6.176 1.606 7.335 1.00 0.00 C ATOM 1033 CD2 TYR A 75 7.957 1.914 5.781 1.00 0.00 C ATOM 1034 CE1 TYR A 75 6.683 2.619 8.125 1.00 0.00 C ATOM 1035 CE2 TYR A 75 8.472 2.928 6.566 1.00 0.00 C ATOM 1036 CZ TYR A 75 7.831 3.277 7.736 1.00 0.00 C ATOM 1037 OH TYR A 75 8.340 4.287 8.521 1.00 0.00 O ATOM 0 H TYR A 75 7.987 -2.089 5.919 1.00 0.00 H new ATOM 0 HA TYR A 75 5.388 -1.075 6.852 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.897 -0.018 4.429 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.271 0.433 4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.277 1.092 7.643 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.461 1.644 4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.183 2.894 9.042 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.372 3.444 6.265 1.00 0.00 H new ATOM 0 HH TYR A 75 9.152 4.646 8.106 1.00 0.00 H new ATOM 1047 N LEU A 76 4.229 -2.501 5.169 1.00 0.00 N ATOM 1048 CA LEU A 76 3.572 -3.488 4.320 1.00 0.00 C ATOM 1049 C LEU A 76 3.391 -2.954 2.903 1.00 0.00 C ATOM 1050 O LEU A 76 3.276 -1.746 2.694 1.00 0.00 O ATOM 1051 CB LEU A 76 2.214 -3.874 4.910 1.00 0.00 C ATOM 1052 CG LEU A 76 1.220 -4.515 3.942 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.541 -5.989 3.745 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.205 -4.341 4.447 1.00 0.00 C ATOM 0 H LEU A 76 3.606 -2.024 5.821 1.00 0.00 H new ATOM 0 HA LEU A 76 4.207 -4.373 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.382 -4.564 5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.755 -2.979 5.331 1.00 0.00 H new ATOM 0 HG LEU A 76 1.307 -4.013 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.823 -6.428 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.547 -6.091 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.484 -6.505 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.899 -4.804 3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.306 -4.816 5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.433 -3.279 4.535 1.00 0.00 H new ATOM 1066 N HIS A 77 3.364 -3.862 1.933 1.00 0.00 N ATOM 1067 CA HIS A 77 3.193 -3.481 0.535 1.00 0.00 C ATOM 1068 C HIS A 77 1.805 -3.867 0.032 1.00 0.00 C ATOM 1069 O HIS A 77 1.558 -5.003 -0.372 1.00 0.00 O ATOM 1070 CB HIS A 77 4.264 -4.146 -0.331 1.00 0.00 C ATOM 1071 CG HIS A 77 5.662 -3.773 0.056 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.750 -3.978 -0.767 1.00 0.00 N ATOM 1073 CD2 HIS A 77 6.147 -3.205 1.184 1.00 0.00 C ATOM 1074 CE1 HIS A 77 7.844 -3.553 -0.160 1.00 0.00 C ATOM 1075 NE2 HIS A 77 7.506 -3.079 1.025 1.00 0.00 N ATOM 0 H HIS A 77 3.458 -4.866 2.089 1.00 0.00 H new ATOM 0 HA HIS A 77 3.298 -2.398 0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.154 -5.228 -0.264 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.099 -3.872 -1.373 1.00 0.00 H new ATOM 0 HD1 HIS A 77 6.715 -4.393 -1.698 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.573 -2.906 2.049 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.845 -3.588 -0.565 1.00 0.00 H new ATOM 1083 N PRO A 78 0.876 -2.900 0.058 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.503 -3.114 -0.391 1.00 0.00 C ATOM 1085 C PRO A 78 -0.598 -3.301 -1.901 1.00 0.00 C ATOM 1086 O PRO A 78 0.181 -2.739 -2.671 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.219 -1.830 0.036 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.145 -0.799 0.093 1.00 0.00 C ATOM 1089 CD PRO A 78 1.100 -1.522 0.527 1.00 0.00 C ATOM 0 HA PRO A 78 -0.935 -4.020 0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.996 -1.554 -0.677 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.704 -1.950 1.005 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.004 -0.328 -0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.401 -0.007 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.994 -1.086 0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.232 -1.482 1.608 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.576 -4.108 -2.338 1.00 0.00 N ATOM 1098 CA PRO A 79 -1.797 -4.386 -3.760 1.00 0.00 C ATOM 1099 C PRO A 79 -2.330 -3.172 -4.512 1.00 0.00 C ATOM 1100 O PRO A 79 -2.632 -2.140 -3.912 1.00 0.00 O ATOM 1101 CB PRO A 79 -2.841 -5.506 -3.744 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.561 -5.335 -2.451 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.543 -4.811 -1.477 1.00 0.00 C ATOM 0 HA PRO A 79 -0.872 -4.653 -4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.523 -5.424 -4.591 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.370 -6.487 -3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.394 -4.640 -2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.978 -6.282 -2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.994 -4.139 -0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.070 -5.618 -0.917 1.00 0.00 H new ATOM 1111 N THR A 80 -2.443 -3.301 -5.831 1.00 0.00 N ATOM 1112 CA THR A 80 -2.939 -2.214 -6.665 1.00 0.00 C ATOM 1113 C THR A 80 -4.383 -1.869 -6.319 1.00 0.00 C ATOM 1114 O THR A 80 -4.681 -0.752 -5.895 1.00 0.00 O ATOM 1115 CB THR A 80 -2.852 -2.569 -8.162 1.00 0.00 C ATOM 1116 OG1 THR A 80 -1.555 -3.094 -8.466 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.126 -1.348 -9.025 1.00 0.00 C ATOM 0 H THR A 80 -2.197 -4.148 -6.344 1.00 0.00 H new ATOM 0 HA THR A 80 -2.305 -1.350 -6.467 1.00 0.00 H new ATOM 0 HB THR A 80 -3.609 -3.323 -8.378 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.508 -3.319 -9.419 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.059 -1.624 -10.077 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.126 -0.969 -8.812 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.390 -0.574 -8.805 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.277 -2.836 -6.503 1.00 0.00 N ATOM 1126 CA HIS A 81 -6.691 -2.634 -6.208 1.00 0.00 C ATOM 1127 C HIS A 81 -6.870 -1.838 -4.919 1.00 0.00 C ATOM 1128 O HIS A 81 -7.723 -0.953 -4.837 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.407 -3.981 -6.093 1.00 0.00 C ATOM 1130 CG HIS A 81 -6.863 -4.856 -5.006 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -5.789 -5.702 -5.187 1.00 0.00 N ATOM 1132 CD2 HIS A 81 -7.250 -5.013 -3.718 1.00 0.00 C ATOM 1133 CE1 HIS A 81 -5.540 -6.342 -4.059 1.00 0.00 C ATOM 1134 NE2 HIS A 81 -6.413 -5.942 -3.151 1.00 0.00 N ATOM 0 H HIS A 81 -5.048 -3.766 -6.854 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.130 -2.066 -7.028 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.467 -3.805 -5.911 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.330 -4.507 -7.045 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.066 -4.502 -3.228 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.756 -7.069 -3.905 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -6.458 -6.270 -2.186 1.00 0.00 H new ATOM 1142 N LEU A 82 -6.062 -2.158 -3.915 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.131 -1.473 -2.629 1.00 0.00 C ATOM 1144 C LEU A 82 -5.500 -0.087 -2.716 1.00 0.00 C ATOM 1145 O LEU A 82 -6.136 0.919 -2.400 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.429 -2.299 -1.550 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.243 -3.442 -0.943 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.446 -4.149 0.141 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.560 -2.921 -0.386 1.00 0.00 C ATOM 0 H LEU A 82 -5.351 -2.888 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.182 -1.358 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.517 -2.716 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.127 -1.628 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.464 -4.163 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.042 -4.959 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.530 -4.557 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.193 -3.439 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.127 -3.748 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.360 -2.179 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.138 -2.462 -1.188 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.244 -0.041 -3.148 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.526 1.221 -3.281 1.00 0.00 C ATOM 1163 C LYS A 83 -4.476 2.349 -3.672 1.00 0.00 C ATOM 1164 O LYS A 83 -4.335 3.482 -3.211 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.414 1.092 -4.324 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.094 0.607 -3.749 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.218 -0.023 -4.818 1.00 0.00 C ATOM 1168 CE LYS A 83 0.055 0.946 -5.958 1.00 0.00 C ATOM 1169 NZ LYS A 83 0.584 0.250 -7.163 1.00 0.00 N ATOM 0 H LYS A 83 -3.702 -0.864 -3.412 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.083 1.461 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.737 0.402 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.260 2.060 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.566 1.444 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.285 -0.120 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.726 -0.341 -4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.704 -0.917 -5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.865 1.471 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.771 1.700 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.558 0.566 -7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.578 -0.777 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.014 0.475 -7.984 1.00 0.00 H new ATOM 1183 N THR A 84 -5.444 2.032 -4.526 1.00 0.00 N ATOM 1184 CA THR A 84 -6.417 3.018 -4.979 1.00 0.00 C ATOM 1185 C THR A 84 -7.044 3.754 -3.800 1.00 0.00 C ATOM 1186 O THR A 84 -7.057 4.984 -3.761 1.00 0.00 O ATOM 1187 CB THR A 84 -7.534 2.363 -5.813 1.00 0.00 C ATOM 1188 OG1 THR A 84 -6.971 1.690 -6.944 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.539 3.403 -6.284 1.00 0.00 C ATOM 0 H THR A 84 -5.575 1.099 -4.918 1.00 0.00 H new ATOM 0 HA THR A 84 -5.878 3.730 -5.603 1.00 0.00 H new ATOM 0 HB THR A 84 -8.052 1.641 -5.182 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.688 1.275 -7.468 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.318 2.916 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.988 3.893 -5.420 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.032 4.146 -6.899 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.562 2.993 -2.841 1.00 0.00 N ATOM 1198 CA GLN A 85 -8.190 3.575 -1.661 1.00 0.00 C ATOM 1199 C GLN A 85 -7.361 4.735 -1.119 1.00 0.00 C ATOM 1200 O GLN A 85 -7.888 5.815 -0.850 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.371 2.511 -0.576 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.589 1.627 -0.789 1.00 0.00 C ATOM 1203 CD GLN A 85 -9.761 1.209 -2.236 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -10.070 2.031 -3.099 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -9.563 -0.076 -2.509 1.00 0.00 N ATOM 0 H GLN A 85 -7.559 1.973 -2.858 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.168 3.957 -1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.480 1.885 -0.540 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.454 3.003 0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.501 0.737 -0.166 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.481 2.159 -0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.308 -0.723 -1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.666 -0.416 -3.465 1.00 0.00 H new ATOM 1214 N LEU A 86 -6.063 4.504 -0.960 1.00 0.00 N ATOM 1215 CA LEU A 86 -5.160 5.530 -0.450 1.00 0.00 C ATOM 1216 C LEU A 86 -5.323 6.834 -1.225 1.00 0.00 C ATOM 1217 O LEU A 86 -5.492 7.900 -0.635 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.710 5.050 -0.536 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.303 3.963 0.459 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.969 3.349 0.063 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -3.232 4.531 1.870 1.00 0.00 C ATOM 0 H LEU A 86 -5.612 3.615 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.414 5.715 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.531 4.677 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.055 5.909 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.060 3.179 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.696 2.577 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.053 2.906 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.201 4.123 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.941 3.743 2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.496 5.334 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.209 4.923 2.154 1.00 0.00 H new