USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=22 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 111:sc= 1.18 USER MOD Set 1.2: A 68 CYS SG : rot 115:sc= -0.245 USER MOD Set 1.3: A 73 CYS SG : rot -99:sc= 1.1 USER MOD Set 1.4: A 77 HIS :FLIP no HD1:sc= -1.4 F(o=-0.73,f=0.62) USER MOD Set 2.1: A 26 CYS SG : rot 130:sc= -0.137 USER MOD Set 2.2: A 34 CYS SG : rot -145:sc= 0.00817 USER MOD Set 2.3: A 41 CYS SG : rot 137:sc= 0.0012 USER MOD Set 2.4: A 45 HIS :FLIP no HD1:sc= -0.903 F(o=-2.2,f=-1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -5.02! C(o=-6.8!,f=-5!) USER MOD Single : A 30 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.22) USER MOD Single : A 33 THR OG1 : rot -59:sc= 1.23 USER MOD Single : A 35 SER OG : rot 180:sc= 0 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 -13:sc= -1.92 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 100:sc= -0.552 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= 0.165 K(o=0.17,f=-4.3!) 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= -8.18! C(o=-9.4!,f=-8.2!) USER MOD Single : A 83 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0757) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0329 K(o=-0.033,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -1.192 7.249 4.621 1.00 0.00 N ATOM 193 CA LEU A 21 -0.463 6.024 4.311 1.00 0.00 C ATOM 194 C LEU A 21 -0.819 4.914 5.295 1.00 0.00 C ATOM 195 O LEU A 21 0.056 4.202 5.789 1.00 0.00 O ATOM 196 CB LEU A 21 1.044 6.283 4.340 1.00 0.00 C ATOM 197 CG LEU A 21 1.622 7.022 3.133 1.00 0.00 C ATOM 198 CD1 LEU A 21 3.001 7.575 3.455 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.684 6.099 1.924 1.00 0.00 C ATOM 0 HA LEU A 21 -0.751 5.703 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.276 6.857 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.555 5.325 4.433 1.00 0.00 H new ATOM 0 HG LEU A 21 0.965 7.859 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.396 8.098 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.928 8.269 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.669 6.755 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.098 6.641 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.318 5.243 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.680 5.752 1.679 1.00 0.00 H new ATOM 211 N THR A 22 -2.111 4.771 5.575 1.00 0.00 N ATOM 212 CA THR A 22 -2.583 3.747 6.499 1.00 0.00 C ATOM 213 C THR A 22 -3.716 2.932 5.885 1.00 0.00 C ATOM 214 O THR A 22 -4.451 3.421 5.026 1.00 0.00 O ATOM 215 CB THR A 22 -3.072 4.367 7.822 1.00 0.00 C ATOM 216 OG1 THR A 22 -3.579 5.685 7.588 1.00 0.00 O ATOM 217 CG2 THR A 22 -1.943 4.426 8.841 1.00 0.00 C ATOM 0 H THR A 22 -2.849 5.351 5.175 1.00 0.00 H new ATOM 0 HA THR A 22 -1.736 3.092 6.703 1.00 0.00 H new ATOM 0 HB THR A 22 -3.868 3.738 8.220 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.889 6.071 8.434 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.311 4.867 9.767 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.579 3.418 9.039 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.129 5.035 8.448 1.00 0.00 H new ATOM 225 N LEU A 23 -3.851 1.688 6.329 1.00 0.00 N ATOM 226 CA LEU A 23 -4.896 0.804 5.823 1.00 0.00 C ATOM 227 C LEU A 23 -5.409 -0.119 6.924 1.00 0.00 C ATOM 228 O LEU A 23 -4.635 -0.612 7.744 1.00 0.00 O ATOM 229 CB LEU A 23 -4.366 -0.025 4.652 1.00 0.00 C ATOM 230 CG LEU A 23 -3.941 0.761 3.411 1.00 0.00 C ATOM 231 CD1 LEU A 23 -3.022 -0.078 2.537 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.161 1.215 2.623 1.00 0.00 C ATOM 0 H LEU A 23 -3.250 1.268 7.038 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.725 1.422 5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.511 -0.605 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.137 -0.738 4.360 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.393 1.646 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.730 0.498 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.132 -0.353 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.544 -0.981 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.839 1.773 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.737 0.344 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.782 1.854 3.250 1.00 0.00 H new ATOM 244 N GLU A 24 -6.718 -0.349 6.933 1.00 0.00 N ATOM 245 CA GLU A 24 -7.333 -1.214 7.933 1.00 0.00 C ATOM 246 C GLU A 24 -6.873 -2.659 7.759 1.00 0.00 C ATOM 247 O GLU A 24 -7.173 -3.301 6.753 1.00 0.00 O ATOM 248 CB GLU A 24 -8.859 -1.138 7.836 1.00 0.00 C ATOM 249 CG GLU A 24 -9.574 -1.663 9.070 1.00 0.00 C ATOM 250 CD GLU A 24 -11.075 -1.456 9.007 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.506 -0.377 8.549 1.00 0.00 O ATOM 252 OE2 GLU A 24 -11.817 -2.373 9.416 1.00 0.00 O ATOM 0 H GLU A 24 -7.372 0.051 6.260 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.021 -0.867 8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.153 -0.102 7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.188 -1.706 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.362 -2.726 9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.179 -1.163 9.954 1.00 0.00 H new ATOM 259 N VAL A 25 -6.143 -3.164 8.748 1.00 0.00 N ATOM 260 CA VAL A 25 -5.641 -4.532 8.706 1.00 0.00 C ATOM 261 C VAL A 25 -6.786 -5.539 8.751 1.00 0.00 C ATOM 262 O VAL A 25 -7.774 -5.341 9.458 1.00 0.00 O ATOM 263 CB VAL A 25 -4.679 -4.814 9.876 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.102 -6.217 9.767 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.570 -3.773 9.914 1.00 0.00 C ATOM 0 H VAL A 25 -5.886 -2.646 9.588 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.100 -4.641 7.766 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.239 -4.750 10.809 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.425 -6.398 10.602 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.912 -6.946 9.792 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.555 -6.314 8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.899 -3.986 10.746 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.010 -3.804 8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.005 -2.782 10.044 1.00 0.00 H new ATOM 275 N CYS A 26 -6.645 -6.620 7.991 1.00 0.00 N ATOM 276 CA CYS A 26 -7.667 -7.659 7.943 1.00 0.00 C ATOM 277 C CYS A 26 -7.938 -8.220 9.336 1.00 0.00 C ATOM 278 O CYS A 26 -7.103 -8.921 9.907 1.00 0.00 O ATOM 279 CB CYS A 26 -7.233 -8.786 7.003 1.00 0.00 C ATOM 280 SG CYS A 26 -8.476 -10.102 6.797 1.00 0.00 S ATOM 0 H CYS A 26 -5.833 -6.799 7.400 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.587 -7.213 7.565 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.003 -8.361 6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.312 -9.227 7.383 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.665 -10.326 5.530 1.00 0.00 H new ATOM 285 N ARG A 27 -9.111 -7.906 9.875 1.00 0.00 N ATOM 286 CA ARG A 27 -9.493 -8.378 11.201 1.00 0.00 C ATOM 287 C ARG A 27 -9.160 -9.857 11.368 1.00 0.00 C ATOM 288 O ARG A 27 -8.761 -10.295 12.447 1.00 0.00 O ATOM 289 CB ARG A 27 -10.987 -8.150 11.436 1.00 0.00 C ATOM 290 CG ARG A 27 -11.880 -9.066 10.614 1.00 0.00 C ATOM 291 CD ARG A 27 -11.965 -8.609 9.167 1.00 0.00 C ATOM 292 NE ARG A 27 -12.499 -7.254 9.051 1.00 0.00 N ATOM 293 CZ ARG A 27 -13.797 -6.979 8.987 1.00 0.00 C ATOM 294 NH1 ARG A 27 -14.689 -7.960 9.028 1.00 0.00 N ATOM 295 NH2 ARG A 27 -14.206 -5.721 8.883 1.00 0.00 N ATOM 0 H ARG A 27 -9.813 -7.327 9.415 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.926 -7.810 11.939 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.206 -8.296 12.494 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.229 -7.114 11.201 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.493 -10.084 10.653 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.879 -9.088 11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.973 -8.648 8.716 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.597 -9.297 8.606 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.839 -6.477 9.017 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.379 -8.928 9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.685 -7.746 8.979 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.523 -4.964 8.852 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.203 -5.511 8.834 1.00 0.00 H new ATOM 309 N GLN A 28 -9.329 -10.622 10.294 1.00 0.00 N ATOM 310 CA GLN A 28 -9.048 -12.052 10.323 1.00 0.00 C ATOM 311 C GLN A 28 -7.548 -12.310 10.411 1.00 0.00 C ATOM 312 O GLN A 28 -7.079 -13.012 11.308 1.00 0.00 O ATOM 313 CB GLN A 28 -9.623 -12.732 9.079 1.00 0.00 C ATOM 314 CG GLN A 28 -11.130 -12.588 8.948 1.00 0.00 C ATOM 315 CD GLN A 28 -11.887 -13.629 9.749 1.00 0.00 C ATOM 316 OE1 GLN A 28 -12.902 -13.189 10.483 1.00 0.00 O flip ATOM 317 NE2 GLN A 28 -11.564 -14.816 9.708 1.00 0.00 N flip ATOM 0 H GLN A 28 -9.659 -10.275 9.393 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.523 -12.472 11.210 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.148 -12.311 8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.369 -13.792 9.104 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.426 -11.593 9.280 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.409 -12.670 7.898 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.777 -15.111 9.130 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.084 -15.505 10.252 1.00 0.00 H new ATOM 326 N PHE A 29 -6.798 -11.740 9.473 1.00 0.00 N ATOM 327 CA PHE A 29 -5.350 -11.909 9.444 1.00 0.00 C ATOM 328 C PHE A 29 -4.764 -11.823 10.850 1.00 0.00 C ATOM 329 O PHE A 29 -4.069 -12.734 11.300 1.00 0.00 O ATOM 330 CB PHE A 29 -4.709 -10.849 8.546 1.00 0.00 C ATOM 331 CG PHE A 29 -3.211 -10.806 8.644 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.448 -11.903 8.278 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.566 -9.669 9.102 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.070 -11.867 8.368 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.187 -9.626 9.194 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.438 -10.727 8.826 1.00 0.00 C ATOM 0 H PHE A 29 -7.169 -11.157 8.723 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.133 -12.897 9.039 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.992 -11.042 7.511 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.110 -9.870 8.809 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.936 -12.797 7.918 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.147 -8.806 9.391 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.487 -12.730 8.081 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.696 -8.733 9.553 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.639 -10.697 8.896 1.00 0.00 H new ATOM 346 N GLN A 30 -5.049 -10.722 11.537 1.00 0.00 N ATOM 347 CA GLN A 30 -4.549 -10.516 12.891 1.00 0.00 C ATOM 348 C GLN A 30 -4.709 -11.781 13.729 1.00 0.00 C ATOM 349 O GLN A 30 -3.751 -12.261 14.335 1.00 0.00 O ATOM 350 CB GLN A 30 -5.285 -9.353 13.558 1.00 0.00 C ATOM 351 CG GLN A 30 -4.624 -8.003 13.329 1.00 0.00 C ATOM 352 CD GLN A 30 -3.241 -7.919 13.944 1.00 0.00 C ATOM 353 OE1 GLN A 30 -3.096 -7.693 15.146 1.00 0.00 O ATOM 354 NE2 GLN A 30 -2.214 -8.102 13.122 1.00 0.00 N ATOM 0 H GLN A 30 -5.623 -9.959 11.179 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.488 -10.276 12.826 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.307 -9.316 13.181 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.348 -9.540 14.630 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.553 -7.814 12.258 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.253 -7.219 13.750 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.379 -8.287 12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.260 -8.058 13.480 1.00 0.00 H new ATOM 363 N ARG A 31 -5.925 -12.315 13.758 1.00 0.00 N ATOM 364 CA ARG A 31 -6.211 -13.524 14.523 1.00 0.00 C ATOM 365 C ARG A 31 -5.523 -14.735 13.901 1.00 0.00 C ATOM 366 O ARG A 31 -5.242 -15.720 14.583 1.00 0.00 O ATOM 367 CB ARG A 31 -7.720 -13.762 14.595 1.00 0.00 C ATOM 368 CG ARG A 31 -8.502 -12.564 15.107 1.00 0.00 C ATOM 369 CD ARG A 31 -9.970 -12.903 15.311 1.00 0.00 C ATOM 370 NE ARG A 31 -10.758 -12.677 14.102 1.00 0.00 N ATOM 371 CZ ARG A 31 -12.085 -12.707 14.073 1.00 0.00 C ATOM 372 NH1 ARG A 31 -12.770 -12.952 15.182 1.00 0.00 N ATOM 373 NH2 ARG A 31 -12.731 -12.492 12.934 1.00 0.00 N ATOM 0 H ARG A 31 -6.728 -11.930 13.261 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.824 -13.386 15.532 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.085 -14.026 13.603 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.914 -14.616 15.244 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.072 -12.223 16.049 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.413 -11.740 14.399 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.062 -13.946 15.614 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.372 -12.298 16.124 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.261 -12.486 13.232 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.277 -13.118 16.060 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.789 -12.975 15.157 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.208 -12.303 12.079 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.751 -12.515 12.914 1.00 0.00 H new ATOM 387 N GLY A 32 -5.254 -14.655 12.601 1.00 0.00 N ATOM 388 CA GLY A 32 -4.602 -15.752 11.909 1.00 0.00 C ATOM 389 C GLY A 32 -5.587 -16.789 11.408 1.00 0.00 C ATOM 390 O GLY A 32 -5.312 -17.989 11.446 1.00 0.00 O ATOM 0 H GLY A 32 -5.476 -13.850 12.015 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.033 -15.359 11.066 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.888 -16.228 12.581 1.00 0.00 H new ATOM 394 N THR A 33 -6.742 -16.328 10.938 1.00 0.00 N ATOM 395 CA THR A 33 -7.773 -17.224 10.430 1.00 0.00 C ATOM 396 C THR A 33 -8.251 -16.786 9.050 1.00 0.00 C ATOM 397 O THR A 33 -9.406 -17.006 8.683 1.00 0.00 O ATOM 398 CB THR A 33 -8.982 -17.287 11.383 1.00 0.00 C ATOM 399 OG1 THR A 33 -9.987 -18.152 10.843 1.00 0.00 O ATOM 400 CG2 THR A 33 -9.566 -15.901 11.609 1.00 0.00 C ATOM 0 H THR A 33 -6.987 -15.339 10.899 1.00 0.00 H new ATOM 0 HA THR A 33 -7.324 -18.214 10.359 1.00 0.00 H new ATOM 0 HB THR A 33 -8.641 -17.680 12.341 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.271 -17.817 9.967 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.418 -15.971 12.285 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.807 -15.253 12.048 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.892 -15.484 10.656 1.00 0.00 H new ATOM 408 N CYS A 34 -7.357 -16.165 8.289 1.00 0.00 N ATOM 409 CA CYS A 34 -7.687 -15.695 6.949 1.00 0.00 C ATOM 410 C CYS A 34 -7.038 -16.580 5.888 1.00 0.00 C ATOM 411 O CYS A 34 -5.814 -16.622 5.764 1.00 0.00 O ATOM 412 CB CYS A 34 -7.233 -14.246 6.767 1.00 0.00 C ATOM 413 SG CYS A 34 -7.502 -13.587 5.090 1.00 0.00 S ATOM 0 H CYS A 34 -6.397 -15.975 8.578 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.769 -15.747 6.829 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.764 -13.618 7.482 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.172 -14.176 7.007 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.541 -12.766 4.787 1.00 0.00 H new ATOM 418 N SER A 35 -7.868 -17.284 5.125 1.00 0.00 N ATOM 419 CA SER A 35 -7.376 -18.171 4.077 1.00 0.00 C ATOM 420 C SER A 35 -7.383 -17.467 2.723 1.00 0.00 C ATOM 421 O SER A 35 -7.547 -18.104 1.681 1.00 0.00 O ATOM 422 CB SER A 35 -8.229 -19.439 4.010 1.00 0.00 C ATOM 423 OG SER A 35 -8.290 -20.079 5.272 1.00 0.00 O ATOM 0 H SER A 35 -8.884 -17.257 5.213 1.00 0.00 H new ATOM 0 HA SER A 35 -6.349 -18.446 4.319 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.236 -19.187 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.812 -20.123 3.271 1.00 0.00 H new ATOM 0 HG SER A 35 -8.842 -20.886 5.203 1.00 0.00 H new ATOM 429 N ARG A 36 -7.205 -16.151 2.746 1.00 0.00 N ATOM 430 CA ARG A 36 -7.192 -15.359 1.521 1.00 0.00 C ATOM 431 C ARG A 36 -5.842 -14.675 1.331 1.00 0.00 C ATOM 432 O ARG A 36 -5.190 -14.284 2.299 1.00 0.00 O ATOM 433 CB ARG A 36 -8.307 -14.312 1.554 1.00 0.00 C ATOM 434 CG ARG A 36 -9.703 -14.910 1.619 1.00 0.00 C ATOM 435 CD ARG A 36 -10.769 -13.870 1.313 1.00 0.00 C ATOM 436 NE ARG A 36 -12.029 -14.162 1.992 1.00 0.00 N ATOM 437 CZ ARG A 36 -13.012 -13.279 2.126 1.00 0.00 C ATOM 438 NH1 ARG A 36 -12.883 -12.057 1.630 1.00 0.00 N ATOM 439 NH2 ARG A 36 -14.129 -13.620 2.757 1.00 0.00 N ATOM 0 H ARG A 36 -7.068 -15.610 3.599 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.360 -16.032 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.159 -13.663 2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.231 -13.684 0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.781 -15.733 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.875 -15.328 2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.413 -12.886 1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.938 -13.830 0.237 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.161 -15.094 2.384 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.027 -11.792 1.143 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.640 -11.382 1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.232 -14.560 3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.884 -12.942 2.860 1.00 0.00 H new ATOM 453 N SER A 37 -5.428 -14.534 0.075 1.00 0.00 N ATOM 454 CA SER A 37 -4.153 -13.901 -0.243 1.00 0.00 C ATOM 455 C SER A 37 -4.267 -12.381 -0.163 1.00 0.00 C ATOM 456 O SER A 37 -5.313 -11.844 0.200 1.00 0.00 O ATOM 457 CB SER A 37 -3.688 -14.316 -1.640 1.00 0.00 C ATOM 458 OG SER A 37 -3.257 -15.666 -1.653 1.00 0.00 O ATOM 0 H SER A 37 -5.957 -14.849 -0.738 1.00 0.00 H new ATOM 0 HA SER A 37 -3.418 -14.232 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.503 -14.184 -2.352 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.874 -13.668 -1.963 1.00 0.00 H new ATOM 0 HG SER A 37 -2.966 -15.908 -2.557 1.00 0.00 H new ATOM 464 N ASP A 38 -3.182 -11.695 -0.504 1.00 0.00 N ATOM 465 CA ASP A 38 -3.158 -10.237 -0.473 1.00 0.00 C ATOM 466 C ASP A 38 -3.860 -9.656 -1.697 1.00 0.00 C ATOM 467 O ASP A 38 -4.501 -8.608 -1.616 1.00 0.00 O ATOM 468 CB ASP A 38 -1.717 -9.731 -0.408 1.00 0.00 C ATOM 469 CG ASP A 38 -0.771 -10.565 -1.248 1.00 0.00 C ATOM 470 OD1 ASP A 38 -0.875 -10.510 -2.492 1.00 0.00 O ATOM 471 OD2 ASP A 38 0.075 -11.274 -0.663 1.00 0.00 O ATOM 0 H ASP A 38 -2.307 -12.125 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.691 -9.908 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.683 -8.696 -0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.379 -9.737 0.628 1.00 0.00 H new ATOM 476 N GLU A 39 -3.732 -10.343 -2.828 1.00 0.00 N ATOM 477 CA GLU A 39 -4.353 -9.892 -4.068 1.00 0.00 C ATOM 478 C GLU A 39 -5.813 -10.332 -4.137 1.00 0.00 C ATOM 479 O GLU A 39 -6.566 -9.882 -5.000 1.00 0.00 O ATOM 480 CB GLU A 39 -3.587 -10.438 -5.275 1.00 0.00 C ATOM 481 CG GLU A 39 -4.105 -9.924 -6.608 1.00 0.00 C ATOM 482 CD GLU A 39 -5.313 -10.696 -7.101 1.00 0.00 C ATOM 483 OE1 GLU A 39 -5.226 -11.939 -7.195 1.00 0.00 O ATOM 484 OE2 GLU A 39 -6.346 -10.058 -7.393 1.00 0.00 O ATOM 0 H GLU A 39 -3.205 -11.212 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.319 -8.803 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.534 -10.173 -5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.643 -11.527 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.367 -8.871 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.310 -9.987 -7.351 1.00 0.00 H new ATOM 491 N GLU A 40 -6.203 -11.213 -3.222 1.00 0.00 N ATOM 492 CA GLU A 40 -7.571 -11.715 -3.180 1.00 0.00 C ATOM 493 C GLU A 40 -8.377 -11.006 -2.095 1.00 0.00 C ATOM 494 O GLU A 40 -9.452 -10.465 -2.357 1.00 0.00 O ATOM 495 CB GLU A 40 -7.578 -13.225 -2.931 1.00 0.00 C ATOM 496 CG GLU A 40 -8.821 -13.923 -3.455 1.00 0.00 C ATOM 497 CD GLU A 40 -10.101 -13.220 -3.045 1.00 0.00 C ATOM 498 OE1 GLU A 40 -10.550 -13.425 -1.898 1.00 0.00 O ATOM 499 OE2 GLU A 40 -10.654 -12.465 -3.873 1.00 0.00 O ATOM 0 H GLU A 40 -5.591 -11.594 -2.500 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.035 -11.512 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.699 -13.666 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.493 -13.408 -1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.772 -13.976 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.840 -14.949 -3.086 1.00 0.00 H new ATOM 506 N CYS A 41 -7.851 -11.013 -0.875 1.00 0.00 N ATOM 507 CA CYS A 41 -8.520 -10.373 0.251 1.00 0.00 C ATOM 508 C CYS A 41 -8.652 -8.870 0.022 1.00 0.00 C ATOM 509 O CYS A 41 -7.814 -8.255 -0.639 1.00 0.00 O ATOM 510 CB CYS A 41 -7.749 -10.637 1.546 1.00 0.00 C ATOM 511 SG CYS A 41 -8.757 -10.481 3.056 1.00 0.00 S ATOM 0 H CYS A 41 -6.962 -11.455 -0.641 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.520 -10.799 0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.326 -11.641 1.506 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.913 -9.941 1.607 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.487 -11.465 3.862 1.00 0.00 H new ATOM 516 N LYS A 42 -9.709 -8.283 0.574 1.00 0.00 N ATOM 517 CA LYS A 42 -9.951 -6.853 0.433 1.00 0.00 C ATOM 518 C LYS A 42 -9.144 -6.060 1.456 1.00 0.00 C ATOM 519 O LYS A 42 -9.193 -4.830 1.483 1.00 0.00 O ATOM 520 CB LYS A 42 -11.442 -6.548 0.597 1.00 0.00 C ATOM 521 CG LYS A 42 -12.200 -6.493 -0.718 1.00 0.00 C ATOM 522 CD LYS A 42 -12.040 -5.143 -1.397 1.00 0.00 C ATOM 523 CE LYS A 42 -12.752 -4.043 -0.624 1.00 0.00 C ATOM 524 NZ LYS A 42 -12.753 -2.753 -1.369 1.00 0.00 N ATOM 0 H LYS A 42 -10.412 -8.777 1.124 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.633 -6.554 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.892 -7.309 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.555 -5.594 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.839 -7.280 -1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.257 -6.688 -0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.981 -4.901 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.439 -5.194 -2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.779 -4.347 -0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.266 -3.904 0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.247 -2.029 -0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.773 -2.450 -1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.240 -2.878 -2.280 1.00 0.00 H new ATOM 538 N PHE A 43 -8.401 -6.773 2.296 1.00 0.00 N ATOM 539 CA PHE A 43 -7.582 -6.135 3.322 1.00 0.00 C ATOM 540 C PHE A 43 -6.111 -6.498 3.146 1.00 0.00 C ATOM 541 O PHE A 43 -5.770 -7.407 2.389 1.00 0.00 O ATOM 542 CB PHE A 43 -8.059 -6.550 4.715 1.00 0.00 C ATOM 543 CG PHE A 43 -9.262 -5.787 5.189 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.392 -5.685 4.394 1.00 0.00 C ATOM 545 CD2 PHE A 43 -9.264 -5.171 6.430 1.00 0.00 C ATOM 546 CE1 PHE A 43 -11.502 -4.984 4.827 1.00 0.00 C ATOM 547 CE2 PHE A 43 -10.370 -4.468 6.869 1.00 0.00 C ATOM 548 CZ PHE A 43 -11.490 -4.374 6.066 1.00 0.00 C ATOM 0 H PHE A 43 -8.349 -7.792 2.287 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.686 -5.055 3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.294 -7.614 4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.245 -6.408 5.426 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.406 -6.159 3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.391 -5.241 7.062 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.377 -4.913 4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.359 -3.993 7.839 1.00 0.00 H new ATOM 0 HZ PHE A 43 -12.355 -3.824 6.407 1.00 0.00 H new ATOM 558 N ALA A 44 -5.242 -5.780 3.851 1.00 0.00 N ATOM 559 CA ALA A 44 -3.808 -6.027 3.775 1.00 0.00 C ATOM 560 C ALA A 44 -3.329 -6.856 4.962 1.00 0.00 C ATOM 561 O ALA A 44 -3.854 -6.734 6.069 1.00 0.00 O ATOM 562 CB ALA A 44 -3.049 -4.710 3.709 1.00 0.00 C ATOM 0 H ALA A 44 -5.507 -5.023 4.481 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.610 -6.595 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.979 -4.909 3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.362 -4.154 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.262 -4.122 4.602 1.00 0.00 H new ATOM 568 N HIS A 45 -2.330 -7.700 4.724 1.00 0.00 N ATOM 569 CA HIS A 45 -1.781 -8.550 5.775 1.00 0.00 C ATOM 570 C HIS A 45 -0.277 -8.339 5.913 1.00 0.00 C ATOM 571 O HIS A 45 0.529 -8.974 5.232 1.00 0.00 O ATOM 572 CB HIS A 45 -2.077 -10.020 5.477 1.00 0.00 C ATOM 573 CG HIS A 45 -3.460 -10.259 4.955 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.618 -9.595 5.178 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -3.771 -11.290 4.093 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -5.597 -10.229 4.454 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.060 -11.248 3.808 1.00 0.00 N flip ATOM 0 H HIS A 45 -1.884 -7.814 3.814 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.256 -8.275 6.717 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.354 -10.387 4.748 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.936 -10.602 6.388 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.070 -12.018 3.711 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.637 -9.941 4.418 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.556 -11.893 3.193 1.00 0.00 H new ATOM 585 N PRO A 46 0.113 -7.426 6.815 1.00 0.00 N ATOM 586 CA PRO A 46 1.523 -7.110 7.063 1.00 0.00 C ATOM 587 C PRO A 46 2.259 -8.251 7.756 1.00 0.00 C ATOM 588 O PRO A 46 1.782 -8.828 8.733 1.00 0.00 O ATOM 589 CB PRO A 46 1.456 -5.884 7.977 1.00 0.00 C ATOM 590 CG PRO A 46 0.135 -5.989 8.656 1.00 0.00 C ATOM 591 CD PRO A 46 -0.792 -6.631 7.662 1.00 0.00 C ATOM 0 HA PRO A 46 2.072 -6.939 6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.273 -5.883 8.699 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.535 -4.959 7.405 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.209 -6.588 9.564 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.231 -5.006 8.952 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.536 -7.258 8.153 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.336 -5.886 7.081 1.00 0.00 H new ATOM 599 N PRO A 47 3.451 -8.587 7.240 1.00 0.00 N ATOM 600 CA PRO A 47 4.279 -9.662 7.795 1.00 0.00 C ATOM 601 C PRO A 47 4.861 -9.301 9.157 1.00 0.00 C ATOM 602 O PRO A 47 4.992 -8.125 9.497 1.00 0.00 O ATOM 603 CB PRO A 47 5.397 -9.819 6.761 1.00 0.00 C ATOM 604 CG PRO A 47 5.483 -8.490 6.092 1.00 0.00 C ATOM 605 CD PRO A 47 4.082 -7.943 6.076 1.00 0.00 C ATOM 0 HA PRO A 47 3.704 -10.573 7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.341 -10.085 7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.167 -10.608 6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.156 -7.824 6.632 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.876 -8.587 5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.074 -6.857 6.164 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.564 -8.191 5.150 1.00 0.00 H new ATOM 613 N LYS A 48 5.209 -10.321 9.935 1.00 0.00 N ATOM 614 CA LYS A 48 5.779 -10.112 11.261 1.00 0.00 C ATOM 615 C LYS A 48 6.836 -9.012 11.232 1.00 0.00 C ATOM 616 O LYS A 48 6.829 -8.109 12.069 1.00 0.00 O ATOM 617 CB LYS A 48 6.395 -11.411 11.785 1.00 0.00 C ATOM 618 CG LYS A 48 6.436 -11.497 13.301 1.00 0.00 C ATOM 619 CD LYS A 48 5.048 -11.693 13.886 1.00 0.00 C ATOM 620 CE LYS A 48 5.074 -11.655 15.406 1.00 0.00 C ATOM 621 NZ LYS A 48 5.432 -12.978 15.988 1.00 0.00 N ATOM 0 H LYS A 48 5.106 -11.301 9.670 1.00 0.00 H new ATOM 0 HA LYS A 48 4.975 -9.803 11.929 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.826 -12.256 11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.409 -11.505 11.397 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.079 -12.324 13.602 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.877 -10.586 13.706 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.382 -10.915 13.513 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.642 -12.648 13.552 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.793 -10.906 15.738 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.097 -11.347 15.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.439 -12.910 17.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.732 -13.688 15.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.375 -13.261 15.653 1.00 0.00 H new ATOM 635 N SER A 49 7.741 -9.093 10.263 1.00 0.00 N ATOM 636 CA SER A 49 8.806 -8.105 10.127 1.00 0.00 C ATOM 637 C SER A 49 8.229 -6.698 10.009 1.00 0.00 C ATOM 638 O SER A 49 8.797 -5.736 10.529 1.00 0.00 O ATOM 639 CB SER A 49 9.668 -8.419 8.903 1.00 0.00 C ATOM 640 OG SER A 49 8.867 -8.605 7.749 1.00 0.00 O ATOM 0 H SER A 49 7.759 -9.832 9.560 1.00 0.00 H new ATOM 0 HA SER A 49 9.427 -8.151 11.022 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.373 -7.606 8.733 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.257 -9.317 9.090 1.00 0.00 H new ATOM 0 HG SER A 49 9.442 -8.803 6.980 1.00 0.00 H new ATOM 646 N CYS A 50 7.097 -6.585 9.324 1.00 0.00 N ATOM 647 CA CYS A 50 6.442 -5.295 9.136 1.00 0.00 C ATOM 648 C CYS A 50 5.683 -4.883 10.394 1.00 0.00 C ATOM 649 O CYS A 50 4.969 -5.688 10.990 1.00 0.00 O ATOM 650 CB CYS A 50 5.485 -5.354 7.945 1.00 0.00 C ATOM 651 SG CYS A 50 6.302 -5.253 6.335 1.00 0.00 S ATOM 0 H CYS A 50 6.613 -7.371 8.889 1.00 0.00 H new ATOM 0 HA CYS A 50 7.212 -4.550 8.937 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.917 -6.283 7.995 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.768 -4.537 8.028 1.00 0.00 H new ATOM 0 HG CYS A 50 7.537 -4.882 6.498 1.00 0.00 H new ATOM 657 N GLN A 51 5.845 -3.624 10.790 1.00 0.00 N ATOM 658 CA GLN A 51 5.177 -3.107 11.978 1.00 0.00 C ATOM 659 C GLN A 51 3.695 -2.866 11.708 1.00 0.00 C ATOM 660 O GLN A 51 3.297 -2.590 10.577 1.00 0.00 O ATOM 661 CB GLN A 51 5.842 -1.808 12.438 1.00 0.00 C ATOM 662 CG GLN A 51 5.637 -1.508 13.914 1.00 0.00 C ATOM 663 CD GLN A 51 6.568 -0.427 14.425 1.00 0.00 C ATOM 664 OE1 GLN A 51 7.790 -0.563 14.360 1.00 0.00 O ATOM 665 NE2 GLN A 51 5.995 0.656 14.937 1.00 0.00 N ATOM 0 H GLN A 51 6.432 -2.945 10.306 1.00 0.00 H new ATOM 0 HA GLN A 51 5.267 -3.852 12.768 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.911 -1.865 12.233 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.448 -0.980 11.849 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.604 -1.200 14.078 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.793 -2.419 14.491 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.978 0.727 14.971 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.572 1.417 15.296 1.00 0.00 H new ATOM 674 N VAL A 52 2.883 -2.972 12.755 1.00 0.00 N ATOM 675 CA VAL A 52 1.445 -2.765 12.631 1.00 0.00 C ATOM 676 C VAL A 52 0.920 -1.871 13.749 1.00 0.00 C ATOM 677 O VAL A 52 1.227 -2.083 14.922 1.00 0.00 O ATOM 678 CB VAL A 52 0.681 -4.103 12.657 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.818 -3.863 12.576 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.148 -5.004 11.524 1.00 0.00 C ATOM 0 H VAL A 52 3.196 -3.200 13.698 1.00 0.00 H new ATOM 0 HA VAL A 52 1.277 -2.278 11.671 1.00 0.00 H new ATOM 0 HB VAL A 52 0.893 -4.605 13.601 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.341 -4.819 12.596 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.136 -3.258 13.425 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.053 -3.340 11.649 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.598 -5.945 11.557 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.967 -4.511 10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.214 -5.203 11.633 1.00 0.00 H new ATOM 690 N GLU A 53 0.128 -0.871 13.377 1.00 0.00 N ATOM 691 CA GLU A 53 -0.440 0.056 14.349 1.00 0.00 C ATOM 692 C GLU A 53 -1.724 -0.506 14.952 1.00 0.00 C ATOM 693 O GLU A 53 -2.269 -1.496 14.465 1.00 0.00 O ATOM 694 CB GLU A 53 -0.721 1.409 13.692 1.00 0.00 C ATOM 695 CG GLU A 53 -0.684 2.577 14.664 1.00 0.00 C ATOM 696 CD GLU A 53 -0.396 3.898 13.978 1.00 0.00 C ATOM 697 OE1 GLU A 53 -0.850 4.080 12.829 1.00 0.00 O ATOM 698 OE2 GLU A 53 0.283 4.749 14.589 1.00 0.00 O ATOM 0 H GLU A 53 -0.135 -0.682 12.410 1.00 0.00 H new ATOM 0 HA GLU A 53 0.287 0.193 15.150 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.012 1.580 12.904 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.700 1.375 13.215 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.640 2.643 15.184 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.078 2.391 15.421 1.00 0.00 H new ATOM 705 N ASN A 54 -2.201 0.133 16.015 1.00 0.00 N ATOM 706 CA ASN A 54 -3.420 -0.303 16.686 1.00 0.00 C ATOM 707 C ASN A 54 -4.564 -0.459 15.688 1.00 0.00 C ATOM 708 O ASN A 54 -5.090 0.526 15.173 1.00 0.00 O ATOM 709 CB ASN A 54 -3.812 0.695 17.776 1.00 0.00 C ATOM 710 CG ASN A 54 -4.611 0.049 18.892 1.00 0.00 C ATOM 711 OD1 ASN A 54 -5.839 -0.009 18.838 1.00 0.00 O ATOM 712 ND2 ASN A 54 -3.914 -0.440 19.911 1.00 0.00 N ATOM 0 H ASN A 54 -1.762 0.955 16.430 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.226 -1.273 17.144 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.911 1.147 18.192 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.397 1.501 17.333 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.396 -0.886 20.691 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.896 -0.370 19.913 1.00 0.00 H new ATOM 719 N GLY A 55 -4.944 -1.705 15.421 1.00 0.00 N ATOM 720 CA GLY A 55 -6.023 -1.968 14.487 1.00 0.00 C ATOM 721 C GLY A 55 -5.790 -1.321 13.136 1.00 0.00 C ATOM 722 O GLY A 55 -6.736 -1.077 12.386 1.00 0.00 O ATOM 0 H GLY A 55 -4.524 -2.537 15.835 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.133 -3.045 14.357 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.960 -1.601 14.906 1.00 0.00 H new ATOM 726 N ARG A 56 -4.529 -1.042 12.825 1.00 0.00 N ATOM 727 CA ARG A 56 -4.175 -0.417 11.556 1.00 0.00 C ATOM 728 C ARG A 56 -2.722 -0.708 11.193 1.00 0.00 C ATOM 729 O ARG A 56 -1.974 -1.277 11.988 1.00 0.00 O ATOM 730 CB ARG A 56 -4.402 1.095 11.627 1.00 0.00 C ATOM 731 CG ARG A 56 -4.765 1.719 10.290 1.00 0.00 C ATOM 732 CD ARG A 56 -5.526 3.024 10.473 1.00 0.00 C ATOM 733 NE ARG A 56 -6.960 2.803 10.634 1.00 0.00 N ATOM 734 CZ ARG A 56 -7.859 3.782 10.634 1.00 0.00 C ATOM 735 NH1 ARG A 56 -7.472 5.041 10.482 1.00 0.00 N ATOM 736 NH2 ARG A 56 -9.147 3.501 10.785 1.00 0.00 N ATOM 0 H ARG A 56 -3.735 -1.239 13.434 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.816 -0.838 10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.198 1.301 12.343 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.499 1.572 12.008 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.858 1.903 9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.372 1.020 9.714 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.140 3.549 11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.353 3.668 9.611 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.290 1.845 10.753 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.483 5.260 10.365 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.164 5.791 10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.448 2.533 10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.836 4.253 10.785 1.00 0.00 H new ATOM 750 N VAL A 57 -2.329 -0.315 9.985 1.00 0.00 N ATOM 751 CA VAL A 57 -0.966 -0.533 9.516 1.00 0.00 C ATOM 752 C VAL A 57 -0.569 0.510 8.477 1.00 0.00 C ATOM 753 O VAL A 57 -1.388 0.926 7.656 1.00 0.00 O ATOM 754 CB VAL A 57 -0.800 -1.938 8.908 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.733 -2.119 7.720 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.647 -2.174 8.501 1.00 0.00 C ATOM 0 H VAL A 57 -2.936 0.156 9.314 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.314 -0.442 10.384 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.066 -2.677 9.664 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.602 -3.118 7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.766 -1.995 8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.501 -1.375 6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.747 -3.172 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.943 -1.431 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.290 -2.089 9.377 1.00 0.00 H new ATOM 766 N ILE A 58 0.691 0.928 8.518 1.00 0.00 N ATOM 767 CA ILE A 58 1.197 1.921 7.579 1.00 0.00 C ATOM 768 C ILE A 58 1.693 1.262 6.296 1.00 0.00 C ATOM 769 O ILE A 58 2.369 0.234 6.335 1.00 0.00 O ATOM 770 CB ILE A 58 2.343 2.746 8.194 1.00 0.00 C ATOM 771 CG1 ILE A 58 1.925 3.302 9.557 1.00 0.00 C ATOM 772 CG2 ILE A 58 2.746 3.874 7.257 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.053 3.977 10.306 1.00 0.00 C ATOM 0 H ILE A 58 1.381 0.594 9.192 1.00 0.00 H new ATOM 0 HA ILE A 58 0.366 2.586 7.346 1.00 0.00 H new ATOM 0 HB ILE A 58 3.205 2.094 8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.115 4.017 9.416 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.530 2.489 10.166 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.557 4.448 7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.080 3.456 6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.891 4.528 7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.684 4.347 11.263 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.855 3.260 10.479 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.433 4.811 9.717 1.00 0.00 H new ATOM 785 N ALA A 59 1.354 1.862 5.160 1.00 0.00 N ATOM 786 CA ALA A 59 1.767 1.335 3.865 1.00 0.00 C ATOM 787 C ALA A 59 3.142 1.864 3.471 1.00 0.00 C ATOM 788 O ALA A 59 3.550 2.944 3.901 1.00 0.00 O ATOM 789 CB ALA A 59 0.740 1.687 2.800 1.00 0.00 C ATOM 0 H ALA A 59 0.794 2.713 5.110 1.00 0.00 H new ATOM 0 HA ALA A 59 1.833 0.250 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.061 1.287 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.225 1.256 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.646 2.771 2.729 1.00 0.00 H new ATOM 795 N CYS A 60 3.854 1.097 2.653 1.00 0.00 N ATOM 796 CA CYS A 60 5.184 1.487 2.202 1.00 0.00 C ATOM 797 C CYS A 60 5.099 2.551 1.112 1.00 0.00 C ATOM 798 O CYS A 60 4.095 2.653 0.406 1.00 0.00 O ATOM 799 CB CYS A 60 5.947 0.267 1.680 1.00 0.00 C ATOM 800 SG CYS A 60 7.681 0.608 1.238 1.00 0.00 S ATOM 0 H CYS A 60 3.532 0.201 2.288 1.00 0.00 H new ATOM 0 HA CYS A 60 5.720 1.906 3.054 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.924 -0.515 2.439 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.430 -0.124 0.804 1.00 0.00 H new ATOM 0 HG CYS A 60 8.469 0.022 2.089 1.00 0.00 H new ATOM 805 N PHE A 61 6.159 3.341 0.979 1.00 0.00 N ATOM 806 CA PHE A 61 6.204 4.399 -0.024 1.00 0.00 C ATOM 807 C PHE A 61 6.680 3.853 -1.367 1.00 0.00 C ATOM 808 O PHE A 61 5.991 3.981 -2.380 1.00 0.00 O ATOM 809 CB PHE A 61 7.128 5.528 0.436 1.00 0.00 C ATOM 810 CG PHE A 61 7.043 6.759 -0.421 1.00 0.00 C ATOM 811 CD1 PHE A 61 5.850 7.454 -0.542 1.00 0.00 C ATOM 812 CD2 PHE A 61 8.155 7.220 -1.106 1.00 0.00 C ATOM 813 CE1 PHE A 61 5.769 8.587 -1.330 1.00 0.00 C ATOM 814 CE2 PHE A 61 8.080 8.353 -1.895 1.00 0.00 C ATOM 815 CZ PHE A 61 6.885 9.036 -2.008 1.00 0.00 C ATOM 0 H PHE A 61 6.999 3.269 1.553 1.00 0.00 H new ATOM 0 HA PHE A 61 5.195 4.792 -0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.881 5.793 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.156 5.167 0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.974 7.107 -0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.091 6.688 -1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.834 9.120 -1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.955 8.703 -2.422 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.823 9.920 -2.626 1.00 0.00 H new ATOM 825 N ASP A 62 7.861 3.246 -1.368 1.00 0.00 N ATOM 826 CA ASP A 62 8.430 2.680 -2.586 1.00 0.00 C ATOM 827 C ASP A 62 7.480 1.660 -3.206 1.00 0.00 C ATOM 828 O ASP A 62 7.169 1.730 -4.395 1.00 0.00 O ATOM 829 CB ASP A 62 9.779 2.024 -2.288 1.00 0.00 C ATOM 830 CG ASP A 62 10.864 3.040 -1.990 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.955 4.044 -2.728 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.621 2.832 -1.020 1.00 0.00 O ATOM 0 H ASP A 62 8.444 3.133 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 62 8.579 3.491 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.672 1.351 -1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.080 1.415 -3.141 1.00 0.00 H new ATOM 837 N SER A 63 7.023 0.713 -2.393 1.00 0.00 N ATOM 838 CA SER A 63 6.113 -0.324 -2.863 1.00 0.00 C ATOM 839 C SER A 63 5.094 0.250 -3.843 1.00 0.00 C ATOM 840 O SER A 63 4.838 -0.329 -4.900 1.00 0.00 O ATOM 841 CB SER A 63 5.390 -0.972 -1.680 1.00 0.00 C ATOM 842 OG SER A 63 4.283 -0.189 -1.268 1.00 0.00 O ATOM 0 H SER A 63 7.268 0.643 -1.405 1.00 0.00 H new ATOM 0 HA SER A 63 6.702 -1.082 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.050 -1.969 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.084 -1.093 -0.848 1.00 0.00 H new ATOM 0 HG SER A 63 3.458 -0.569 -1.636 1.00 0.00 H new ATOM 848 N LEU A 64 4.517 1.392 -3.486 1.00 0.00 N ATOM 849 CA LEU A 64 3.526 2.046 -4.333 1.00 0.00 C ATOM 850 C LEU A 64 3.971 2.045 -5.792 1.00 0.00 C ATOM 851 O LEU A 64 3.182 1.756 -6.692 1.00 0.00 O ATOM 852 CB LEU A 64 3.292 3.482 -3.861 1.00 0.00 C ATOM 853 CG LEU A 64 2.756 3.642 -2.438 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.733 5.109 -2.038 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.367 3.033 -2.319 1.00 0.00 C ATOM 0 H LEU A 64 4.718 1.884 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 64 2.593 1.488 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.234 4.026 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.592 3.959 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 64 3.422 3.112 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.349 5.203 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.744 5.514 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.090 5.663 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.002 3.156 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.690 3.534 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.413 1.971 -2.562 1.00 0.00 H new ATOM 867 N LYS A 65 5.240 2.366 -6.018 1.00 0.00 N ATOM 868 CA LYS A 65 5.792 2.399 -7.368 1.00 0.00 C ATOM 869 C LYS A 65 5.852 0.997 -7.965 1.00 0.00 C ATOM 870 O LYS A 65 5.760 0.825 -9.180 1.00 0.00 O ATOM 871 CB LYS A 65 7.192 3.018 -7.353 1.00 0.00 C ATOM 872 CG LYS A 65 7.186 4.536 -7.408 1.00 0.00 C ATOM 873 CD LYS A 65 6.868 5.043 -8.805 1.00 0.00 C ATOM 874 CE LYS A 65 7.477 6.415 -9.052 1.00 0.00 C ATOM 875 NZ LYS A 65 7.349 6.830 -10.476 1.00 0.00 N ATOM 0 H LYS A 65 5.906 2.607 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 65 5.137 3.011 -7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.712 2.697 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.759 2.634 -8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.450 4.923 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.158 4.916 -7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.247 4.337 -9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.787 5.094 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.987 7.150 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.530 6.401 -8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.776 7.770 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.838 6.142 -11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.343 6.868 -10.737 1.00 0.00 H new ATOM 889 N GLY A 66 6.005 -0.004 -7.103 1.00 0.00 N ATOM 890 CA GLY A 66 6.072 -1.378 -7.565 1.00 0.00 C ATOM 891 C GLY A 66 7.441 -1.994 -7.353 1.00 0.00 C ATOM 892 O GLY A 66 7.607 -3.208 -7.470 1.00 0.00 O ATOM 0 H GLY A 66 6.084 0.112 -6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.324 -1.972 -7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.821 -1.415 -8.625 1.00 0.00 H new ATOM 896 N ARG A 67 8.424 -1.156 -7.041 1.00 0.00 N ATOM 897 CA ARG A 67 9.786 -1.625 -6.816 1.00 0.00 C ATOM 898 C ARG A 67 10.348 -1.057 -5.516 1.00 0.00 C ATOM 899 O ARG A 67 10.709 0.118 -5.445 1.00 0.00 O ATOM 900 CB ARG A 67 10.685 -1.231 -7.989 1.00 0.00 C ATOM 901 CG ARG A 67 10.466 0.193 -8.472 1.00 0.00 C ATOM 902 CD ARG A 67 9.300 0.278 -9.445 1.00 0.00 C ATOM 903 NE ARG A 67 9.354 1.488 -10.260 1.00 0.00 N ATOM 904 CZ ARG A 67 10.116 1.612 -11.342 1.00 0.00 C ATOM 905 NH1 ARG A 67 10.882 0.605 -11.736 1.00 0.00 N ATOM 906 NH2 ARG A 67 10.111 2.745 -12.032 1.00 0.00 N ATOM 0 H ARG A 67 8.303 -0.148 -6.938 1.00 0.00 H new ATOM 0 HA ARG A 67 9.761 -2.712 -6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.727 -1.349 -7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.509 -1.918 -8.817 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.277 0.843 -7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.372 0.558 -8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.306 -0.597 -10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.362 0.257 -8.890 1.00 0.00 H new ATOM 0 HE ARG A 67 8.775 2.281 -9.984 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.888 -0.268 -11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.466 0.703 -12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.522 3.522 -11.732 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.696 2.839 -12.862 1.00 0.00 H new ATOM 920 N CYS A 68 10.419 -1.898 -4.490 1.00 0.00 N ATOM 921 CA CYS A 68 10.937 -1.481 -3.192 1.00 0.00 C ATOM 922 C CYS A 68 12.389 -1.916 -3.020 1.00 0.00 C ATOM 923 O CYS A 68 12.823 -2.911 -3.601 1.00 0.00 O ATOM 924 CB CYS A 68 10.081 -2.065 -2.067 1.00 0.00 C ATOM 925 SG CYS A 68 10.599 -1.554 -0.397 1.00 0.00 S ATOM 0 H CYS A 68 10.124 -2.874 -4.532 1.00 0.00 H new ATOM 0 HA CYS A 68 10.895 -0.393 -3.144 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.044 -1.766 -2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.112 -3.153 -2.129 1.00 0.00 H new ATOM 0 HG CYS A 68 9.667 -0.827 0.143 1.00 0.00 H new ATOM 930 N SER A 69 13.135 -1.164 -2.218 1.00 0.00 N ATOM 931 CA SER A 69 14.540 -1.469 -1.971 1.00 0.00 C ATOM 932 C SER A 69 14.746 -1.961 -0.542 1.00 0.00 C ATOM 933 O SER A 69 15.353 -3.008 -0.315 1.00 0.00 O ATOM 934 CB SER A 69 15.405 -0.234 -2.228 1.00 0.00 C ATOM 935 OG SER A 69 15.199 0.270 -3.536 1.00 0.00 O ATOM 0 H SER A 69 12.790 -0.339 -1.728 1.00 0.00 H new ATOM 0 HA SER A 69 14.840 -2.262 -2.656 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.168 0.538 -1.496 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.456 -0.488 -2.094 1.00 0.00 H new ATOM 0 HG SER A 69 15.762 1.060 -3.675 1.00 0.00 H new ATOM 941 N ARG A 70 14.236 -1.197 0.419 1.00 0.00 N ATOM 942 CA ARG A 70 14.365 -1.553 1.827 1.00 0.00 C ATOM 943 C ARG A 70 14.285 -3.065 2.015 1.00 0.00 C ATOM 944 O ARG A 70 13.199 -3.642 2.023 1.00 0.00 O ATOM 945 CB ARG A 70 13.273 -0.868 2.650 1.00 0.00 C ATOM 946 CG ARG A 70 13.580 0.584 2.981 1.00 0.00 C ATOM 947 CD ARG A 70 14.698 0.696 4.007 1.00 0.00 C ATOM 948 NE ARG A 70 15.209 2.060 4.110 1.00 0.00 N ATOM 949 CZ ARG A 70 16.371 2.368 4.677 1.00 0.00 C ATOM 950 NH1 ARG A 70 17.137 1.414 5.188 1.00 0.00 N ATOM 951 NH2 ARG A 70 16.768 3.633 4.733 1.00 0.00 N ATOM 0 H ARG A 70 13.730 -0.328 0.248 1.00 0.00 H new ATOM 0 HA ARG A 70 15.340 -1.212 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.332 -0.916 2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.129 -1.421 3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.864 1.114 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.682 1.069 3.365 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.331 0.372 4.981 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.511 0.024 3.733 1.00 0.00 H new ATOM 0 HE ARG A 70 14.644 2.817 3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.835 0.441 5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 70 18.028 1.654 5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 70 16.181 4.369 4.341 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.660 3.869 5.168 1.00 0.00 H new ATOM 965 N GLU A 71 15.444 -3.700 2.165 1.00 0.00 N ATOM 966 CA GLU A 71 15.504 -5.145 2.351 1.00 0.00 C ATOM 967 C GLU A 71 14.491 -5.601 3.397 1.00 0.00 C ATOM 968 O GLU A 71 13.542 -6.318 3.086 1.00 0.00 O ATOM 969 CB GLU A 71 16.913 -5.569 2.770 1.00 0.00 C ATOM 970 CG GLU A 71 17.912 -5.577 1.625 1.00 0.00 C ATOM 971 CD GLU A 71 18.567 -4.226 1.413 1.00 0.00 C ATOM 972 OE1 GLU A 71 19.326 -3.789 2.303 1.00 0.00 O ATOM 973 OE2 GLU A 71 18.320 -3.606 0.358 1.00 0.00 O ATOM 0 H GLU A 71 16.353 -3.237 2.161 1.00 0.00 H new ATOM 0 HA GLU A 71 15.257 -5.619 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.270 -4.894 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 71 16.868 -6.566 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.682 -6.322 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.406 -5.879 0.708 1.00 0.00 H new ATOM 980 N ASN A 72 14.703 -5.180 4.640 1.00 0.00 N ATOM 981 CA ASN A 72 13.809 -5.545 5.733 1.00 0.00 C ATOM 982 C ASN A 72 12.729 -4.486 5.931 1.00 0.00 C ATOM 983 O ASN A 72 12.332 -4.192 7.059 1.00 0.00 O ATOM 984 CB ASN A 72 14.603 -5.728 7.029 1.00 0.00 C ATOM 985 CG ASN A 72 15.549 -4.573 7.295 1.00 0.00 C ATOM 986 OD1 ASN A 72 15.507 -3.551 6.610 1.00 0.00 O ATOM 987 ND2 ASN A 72 16.407 -4.730 8.296 1.00 0.00 N ATOM 0 H ASN A 72 15.485 -4.586 4.915 1.00 0.00 H new ATOM 0 HA ASN A 72 13.325 -6.487 5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 72 13.911 -5.827 7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 72 15.173 -6.656 6.975 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.067 -3.986 8.524 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.406 -5.594 8.837 1.00 0.00 H new ATOM 994 N CYS A 73 12.258 -3.917 4.827 1.00 0.00 N ATOM 995 CA CYS A 73 11.223 -2.891 4.877 1.00 0.00 C ATOM 996 C CYS A 73 10.236 -3.168 6.007 1.00 0.00 C ATOM 997 O CYS A 73 9.728 -4.281 6.144 1.00 0.00 O ATOM 998 CB CYS A 73 10.480 -2.821 3.542 1.00 0.00 C ATOM 999 SG CYS A 73 9.412 -1.356 3.362 1.00 0.00 S ATOM 0 H CYS A 73 12.577 -4.149 3.886 1.00 0.00 H new ATOM 0 HA CYS A 73 11.706 -1.933 5.067 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.209 -2.828 2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.871 -3.718 3.430 1.00 0.00 H new ATOM 0 HG CYS A 73 8.180 -1.683 3.620 1.00 0.00 H new ATOM 1004 N LYS A 74 9.969 -2.147 6.815 1.00 0.00 N ATOM 1005 CA LYS A 74 9.042 -2.278 7.933 1.00 0.00 C ATOM 1006 C LYS A 74 7.623 -1.916 7.508 1.00 0.00 C ATOM 1007 O LYS A 74 6.660 -2.199 8.222 1.00 0.00 O ATOM 1008 CB LYS A 74 9.482 -1.384 9.095 1.00 0.00 C ATOM 1009 CG LYS A 74 10.988 -1.330 9.284 1.00 0.00 C ATOM 1010 CD LYS A 74 11.373 -0.421 10.439 1.00 0.00 C ATOM 1011 CE LYS A 74 11.401 1.039 10.014 1.00 0.00 C ATOM 1012 NZ LYS A 74 12.321 1.846 10.862 1.00 0.00 N ATOM 0 H LYS A 74 10.382 -1.219 6.716 1.00 0.00 H new ATOM 0 HA LYS A 74 9.050 -3.318 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.109 -0.374 8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.021 -1.745 10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.369 -2.335 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.458 -0.974 8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.664 -0.549 11.257 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.353 -0.709 10.819 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.713 1.108 8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.395 1.454 10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.312 2.835 10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.009 1.801 11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.286 1.466 10.786 1.00 0.00 H new ATOM 1026 N TYR A 75 7.500 -1.291 6.343 1.00 0.00 N ATOM 1027 CA TYR A 75 6.198 -0.890 5.824 1.00 0.00 C ATOM 1028 C TYR A 75 5.611 -1.975 4.927 1.00 0.00 C ATOM 1029 O TYR A 75 6.313 -2.565 4.105 1.00 0.00 O ATOM 1030 CB TYR A 75 6.319 0.421 5.044 1.00 0.00 C ATOM 1031 CG TYR A 75 6.777 1.588 5.890 1.00 0.00 C ATOM 1032 CD1 TYR A 75 8.051 1.610 6.446 1.00 0.00 C ATOM 1033 CD2 TYR A 75 5.938 2.668 6.133 1.00 0.00 C ATOM 1034 CE1 TYR A 75 8.474 2.673 7.219 1.00 0.00 C ATOM 1035 CE2 TYR A 75 6.353 3.736 6.904 1.00 0.00 C ATOM 1036 CZ TYR A 75 7.622 3.734 7.445 1.00 0.00 C ATOM 1037 OH TYR A 75 8.039 4.796 8.214 1.00 0.00 O ATOM 0 H TYR A 75 8.287 -1.051 5.740 1.00 0.00 H new ATOM 0 HA TYR A 75 5.528 -0.742 6.671 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.021 0.282 4.222 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.352 0.661 4.601 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.721 0.782 6.270 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.944 2.673 5.712 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.467 2.674 7.644 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.688 4.568 7.082 1.00 0.00 H new ATOM 0 HH TYR A 75 7.320 5.459 8.274 1.00 0.00 H new ATOM 1047 N LEU A 76 4.318 -2.233 5.090 1.00 0.00 N ATOM 1048 CA LEU A 76 3.634 -3.247 4.296 1.00 0.00 C ATOM 1049 C LEU A 76 3.377 -2.746 2.878 1.00 0.00 C ATOM 1050 O LEU A 76 3.169 -1.552 2.658 1.00 0.00 O ATOM 1051 CB LEU A 76 2.311 -3.636 4.959 1.00 0.00 C ATOM 1052 CG LEU A 76 1.281 -4.315 4.056 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.743 -5.714 3.678 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.077 -4.366 4.740 1.00 0.00 C ATOM 0 H LEU A 76 3.722 -1.754 5.765 1.00 0.00 H new ATOM 0 HA LEU A 76 4.278 -4.125 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.528 -4.303 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.860 -2.737 5.379 1.00 0.00 H new ATOM 0 HG LEU A 76 1.183 -3.728 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.997 -6.182 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.693 -5.652 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.870 -6.311 4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.797 -4.853 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.005 -4.930 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.412 -3.352 4.959 1.00 0.00 H new ATOM 1066 N HIS A 77 3.390 -3.667 1.920 1.00 0.00 N ATOM 1067 CA HIS A 77 3.155 -3.319 0.523 1.00 0.00 C ATOM 1068 C HIS A 77 1.738 -3.693 0.100 1.00 0.00 C ATOM 1069 O HIS A 77 1.450 -4.836 -0.254 1.00 0.00 O ATOM 1070 CB HIS A 77 4.170 -4.024 -0.378 1.00 0.00 C ATOM 1071 CG HIS A 77 5.594 -3.790 0.026 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.128 -3.424 1.215 1.00 0.00 N flip ATOM 1073 CD2 HIS A 77 6.655 -3.927 -0.843 1.00 0.00 C flip ATOM 1074 CE1 HIS A 77 7.488 -3.348 1.044 1.00 0.00 C flip ATOM 1075 NE2 HIS A 77 7.781 -3.657 -0.207 1.00 0.00 N flip ATOM 0 H HIS A 77 3.561 -4.659 2.085 1.00 0.00 H new ATOM 0 HA HIS A 77 3.274 -2.241 0.419 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.970 -5.095 -0.368 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.031 -3.683 -1.404 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.578 -4.211 -1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.203 -3.079 1.808 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.717 -3.683 -0.612 1.00 0.00 H new ATOM 1083 N PRO A 78 0.829 -2.707 0.139 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.574 -2.908 -0.236 1.00 0.00 C ATOM 1085 C PRO A 78 -0.746 -3.141 -1.733 1.00 0.00 C ATOM 1086 O PRO A 78 -0.010 -2.600 -2.558 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.244 -1.597 0.182 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.150 -0.586 0.155 1.00 0.00 C ATOM 1089 CD PRO A 78 1.101 -1.320 0.552 1.00 0.00 C ATOM 0 HA PRO A 78 -1.001 -3.791 0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.048 -1.328 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.684 -1.677 1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.047 -0.148 -0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.358 0.233 0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.980 -0.916 0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.286 -1.249 1.624 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.741 -3.964 -2.094 1.00 0.00 N ATOM 1098 CA PRO A 79 -2.034 -4.286 -3.494 1.00 0.00 C ATOM 1099 C PRO A 79 -2.611 -3.096 -4.254 1.00 0.00 C ATOM 1100 O PRO A 79 -2.919 -2.060 -3.665 1.00 0.00 O ATOM 1101 CB PRO A 79 -3.070 -5.408 -3.391 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.723 -5.200 -2.068 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.658 -4.644 -1.164 1.00 0.00 C ATOM 0 HA PRO A 79 -1.136 -4.566 -4.044 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.795 -5.353 -4.203 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.598 -6.389 -3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.563 -4.511 -2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.118 -6.137 -1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.074 -3.952 -0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.153 -5.432 -0.606 1.00 0.00 H new ATOM 1111 N THR A 80 -2.755 -3.252 -5.567 1.00 0.00 N ATOM 1112 CA THR A 80 -3.294 -2.191 -6.407 1.00 0.00 C ATOM 1113 C THR A 80 -4.689 -1.782 -5.950 1.00 0.00 C ATOM 1114 O THR A 80 -4.883 -0.690 -5.414 1.00 0.00 O ATOM 1115 CB THR A 80 -3.356 -2.621 -7.885 1.00 0.00 C ATOM 1116 OG1 THR A 80 -2.079 -3.113 -8.306 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.774 -1.457 -8.771 1.00 0.00 C ATOM 0 H THR A 80 -2.506 -4.103 -6.071 1.00 0.00 H new ATOM 0 HA THR A 80 -2.620 -1.340 -6.312 1.00 0.00 H new ATOM 0 HB THR A 80 -4.099 -3.413 -7.979 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.127 -3.386 -9.246 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.811 -1.785 -9.810 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.759 -1.104 -8.467 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.052 -0.647 -8.672 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.660 -2.666 -6.163 1.00 0.00 N ATOM 1126 CA HIS A 81 -7.038 -2.397 -5.771 1.00 0.00 C ATOM 1127 C HIS A 81 -7.088 -1.605 -4.468 1.00 0.00 C ATOM 1128 O HIS A 81 -7.913 -0.705 -4.307 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.811 -3.707 -5.615 1.00 0.00 C ATOM 1130 CG HIS A 81 -7.225 -4.630 -4.591 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.504 -4.784 -3.276 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -6.224 -5.533 -4.878 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.676 -5.769 -2.797 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -5.914 -6.205 -3.784 1.00 0.00 N flip ATOM 0 H HIS A 81 -5.517 -3.574 -6.605 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.503 -1.801 -6.556 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.841 -3.481 -5.341 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.842 -4.218 -6.577 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -8.200 -4.265 -2.740 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.765 -5.670 -5.846 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.652 -6.129 -1.779 1.00 0.00 H new ATOM 1142 N LEU A 82 -6.201 -1.946 -3.540 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.143 -1.268 -2.249 1.00 0.00 C ATOM 1144 C LEU A 82 -5.488 0.103 -2.384 1.00 0.00 C ATOM 1145 O LEU A 82 -5.959 1.087 -1.813 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.372 -2.118 -1.238 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.152 -3.263 -0.591 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.305 -3.956 0.465 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.449 -2.749 0.016 1.00 0.00 C ATOM 0 H LEU A 82 -5.511 -2.688 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.164 -1.129 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.498 -2.537 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.005 -1.463 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.399 -3.991 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.877 -4.768 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.404 -4.359 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.026 -3.238 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.991 -3.578 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.224 -2.001 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.063 -2.300 -0.765 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.400 0.160 -3.144 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.680 1.411 -3.357 1.00 0.00 C ATOM 1163 C LYS A 83 -4.650 2.581 -3.488 1.00 0.00 C ATOM 1164 O LYS A 83 -4.538 3.577 -2.772 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.809 1.314 -4.611 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.535 2.138 -4.532 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.781 2.128 -5.851 1.00 0.00 C ATOM 1168 CE LYS A 83 -1.453 3.019 -6.884 1.00 0.00 C ATOM 1169 NZ LYS A 83 -1.244 4.464 -6.589 1.00 0.00 N ATOM 0 H LYS A 83 -3.997 -0.645 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.042 1.586 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.546 0.270 -4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.390 1.641 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.781 3.165 -4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.894 1.744 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.243 2.466 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.724 1.108 -6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.058 2.789 -7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.521 2.804 -6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.536 5.032 -7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.812 4.735 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.238 4.636 -6.389 1.00 0.00 H new ATOM 1183 N THR A 84 -5.603 2.454 -4.406 1.00 0.00 N ATOM 1184 CA THR A 84 -6.592 3.500 -4.630 1.00 0.00 C ATOM 1185 C THR A 84 -7.034 4.130 -3.314 1.00 0.00 C ATOM 1186 O THR A 84 -7.104 5.353 -3.194 1.00 0.00 O ATOM 1187 CB THR A 84 -7.830 2.955 -5.366 1.00 0.00 C ATOM 1188 OG1 THR A 84 -7.431 2.289 -6.569 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.801 4.078 -5.699 1.00 0.00 C ATOM 0 H THR A 84 -5.710 1.636 -5.006 1.00 0.00 H new ATOM 0 HA THR A 84 -6.114 4.258 -5.251 1.00 0.00 H new ATOM 0 HB THR A 84 -8.333 2.246 -4.709 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.224 1.944 -7.030 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.667 3.668 -6.218 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.126 4.563 -4.778 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.306 4.809 -6.339 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.331 3.287 -2.330 1.00 0.00 N ATOM 1198 CA GLN A 85 -7.766 3.763 -1.022 1.00 0.00 C ATOM 1199 C GLN A 85 -6.834 4.852 -0.501 1.00 0.00 C ATOM 1200 O GLN A 85 -7.284 5.905 -0.047 1.00 0.00 O ATOM 1201 CB GLN A 85 -7.822 2.604 -0.027 1.00 0.00 C ATOM 1202 CG GLN A 85 -8.931 1.605 -0.317 1.00 0.00 C ATOM 1203 CD GLN A 85 -9.045 0.533 0.749 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -8.123 0.326 1.538 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -10.180 -0.155 0.778 1.00 0.00 N ATOM 0 H GLN A 85 -7.278 2.272 -2.414 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.764 4.187 -1.131 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.864 2.083 -0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.959 3.005 0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.880 2.135 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.747 1.134 -1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.918 0.050 0.105 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.314 -0.889 1.474 1.00 0.00 H new ATOM 1214 N LEU A 86 -5.533 4.592 -0.569 1.00 0.00 N ATOM 1215 CA LEU A 86 -4.536 5.550 -0.104 1.00 0.00 C ATOM 1216 C LEU A 86 -4.800 6.936 -0.684 1.00 0.00 C ATOM 1217 O LEU A 86 -4.702 7.941 0.019 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.131 5.082 -0.490 1.00 0.00 C ATOM 1219 CG LEU A 86 -2.621 3.830 0.224 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.431 3.241 -0.517 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -2.250 4.150 1.664 1.00 0.00 C ATOM 0 H LEU A 86 -5.144 3.726 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.606 5.612 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.114 4.896 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.433 5.896 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.421 3.089 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.081 2.351 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.730 2.973 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.628 3.977 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.889 3.247 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.467 4.908 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.127 4.525 2.191 1.00 0.00 H new