USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 643 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 98 GLN : amide:sc= -7.23! C(o=-7.2!,f=-8.2!) USER MOD Single : A 15 SER OG : rot 29:sc= 0.159 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 179:sc= -0.381 (180deg=-0.385) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -82:sc= 0.816 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 4:sc= 0.292 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 54 MET CE :methyl 156:sc=-0.00618 (180deg=-0.358) USER MOD Single : A 55 HIS : no HD1:sc=-0.00273 X(o=-0.0027,f=-0.01) USER MOD Single : A 57 SER OG : rot 180:sc= -0.171 USER MOD Single : A 59 ASN : amide:sc= -0.139 K(o=-0.14,f=-2!) USER MOD Single : A 60 ASN : amide:sc= -0.236 K(o=-0.24,f=-0.82) USER MOD Single : A 62 ASN : amide:sc= -0.0941 X(o=-0.094,f=-0.076) USER MOD Single : A 65 HIS : no HE2:sc= -2.07! C(o=-2.1!,f=-6.2!) USER MOD Single : A 74 ASN : amide:sc= -8.9! C(o=-8.9!,f=-9.2!) USER MOD Single : A 76 THR OG1 : rot 55:sc= 0.32 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc=-0.000305 X(o=-0.00031,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot -71:sc= 0.127 USER MOD Single : A 103 HIS : no HD1:sc= -0.0894 X(o=-0.089,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -15.938 -7.782 -0.839 1.00 0.00 N ATOM 183 CA SER A 15 -15.964 -6.580 -1.663 1.00 0.00 C ATOM 184 C SER A 15 -14.609 -5.879 -1.644 1.00 0.00 C ATOM 185 O SER A 15 -13.969 -5.768 -0.599 1.00 0.00 O ATOM 186 CB SER A 15 -17.052 -5.623 -1.174 1.00 0.00 C ATOM 187 OG SER A 15 -18.303 -6.282 -1.071 1.00 0.00 O ATOM 0 HA SER A 15 -16.186 -6.878 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.772 -5.214 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.136 -4.781 -1.862 1.00 0.00 H new ATOM 0 HG SER A 15 -18.158 -7.231 -0.876 1.00 0.00 H new ATOM 193 N VAL A 16 -14.177 -5.407 -2.810 1.00 0.00 N ATOM 194 CA VAL A 16 -12.899 -4.715 -2.929 1.00 0.00 C ATOM 195 C VAL A 16 -13.073 -3.209 -2.770 1.00 0.00 C ATOM 196 O VAL A 16 -14.157 -2.670 -2.993 1.00 0.00 O ATOM 197 CB VAL A 16 -12.229 -5.004 -4.285 1.00 0.00 C ATOM 198 CG1 VAL A 16 -11.695 -6.428 -4.325 1.00 0.00 C ATOM 199 CG2 VAL A 16 -13.207 -4.760 -5.425 1.00 0.00 C ATOM 0 H VAL A 16 -14.694 -5.491 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.260 -5.090 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.387 -4.323 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.225 -6.613 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.960 -6.563 -3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.517 -7.129 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.717 -4.969 -6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.071 -5.415 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.535 -3.721 -5.407 1.00 0.00 H new ATOM 209 N THR A 17 -11.995 -2.532 -2.384 1.00 0.00 N ATOM 210 CA THR A 17 -12.028 -1.087 -2.195 1.00 0.00 C ATOM 211 C THR A 17 -10.907 -0.406 -2.972 1.00 0.00 C ATOM 212 O THR A 17 -9.802 -0.939 -3.084 1.00 0.00 O ATOM 213 CB THR A 17 -11.906 -0.713 -0.706 1.00 0.00 C ATOM 214 OG1 THR A 17 -12.500 -1.732 0.106 1.00 0.00 O ATOM 215 CG2 THR A 17 -12.580 0.622 -0.426 1.00 0.00 C ATOM 0 H THR A 17 -11.089 -2.962 -2.196 1.00 0.00 H new ATOM 0 HA THR A 17 -12.990 -0.740 -2.571 1.00 0.00 H new ATOM 0 HB THR A 17 -10.847 -0.626 -0.462 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.417 -1.487 1.051 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.481 0.865 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.106 1.401 -1.023 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.637 0.558 -0.686 1.00 0.00 H new ATOM 223 N LEU A 18 -11.197 0.775 -3.506 1.00 0.00 N ATOM 224 CA LEU A 18 -10.213 1.531 -4.272 1.00 0.00 C ATOM 225 C LEU A 18 -9.952 2.891 -3.633 1.00 0.00 C ATOM 226 O LEU A 18 -10.837 3.472 -3.003 1.00 0.00 O ATOM 227 CB LEU A 18 -10.692 1.716 -5.713 1.00 0.00 C ATOM 228 CG LEU A 18 -9.790 2.556 -6.618 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.388 1.967 -6.670 1.00 0.00 C ATOM 230 CD2 LEU A 18 -10.380 2.655 -8.017 1.00 0.00 C ATOM 0 H LEU A 18 -12.106 1.230 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.280 0.967 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.810 0.731 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.680 2.176 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.725 3.561 -6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.760 2.578 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.963 1.949 -5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.434 0.951 -7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.724 3.256 -8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.476 1.656 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.363 3.123 -7.965 1.00 0.00 H new ATOM 242 N ILE A 19 -8.734 3.394 -3.800 1.00 0.00 N ATOM 243 CA ILE A 19 -8.358 4.687 -3.243 1.00 0.00 C ATOM 244 C ILE A 19 -7.410 5.434 -4.174 1.00 0.00 C ATOM 245 O ILE A 19 -6.248 5.055 -4.327 1.00 0.00 O ATOM 246 CB ILE A 19 -7.690 4.533 -1.864 1.00 0.00 C ATOM 247 CG1 ILE A 19 -6.755 3.321 -1.859 1.00 0.00 C ATOM 248 CG2 ILE A 19 -8.745 4.400 -0.776 1.00 0.00 C ATOM 249 CD1 ILE A 19 -7.224 2.201 -0.957 1.00 0.00 C ATOM 0 H ILE A 19 -7.990 2.925 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.278 5.261 -3.130 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.098 5.426 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.659 2.942 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.762 3.640 -1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.257 4.292 0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.374 5.290 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.361 3.522 -0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.514 1.375 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.293 2.564 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.204 1.855 -1.286 1.00 0.00 H new ATOM 261 N SER A 20 -7.912 6.497 -4.794 1.00 0.00 N ATOM 262 CA SER A 20 -7.110 7.296 -5.713 1.00 0.00 C ATOM 263 C SER A 20 -6.740 8.637 -5.086 1.00 0.00 C ATOM 264 O SER A 20 -7.554 9.559 -5.043 1.00 0.00 O ATOM 265 CB SER A 20 -7.870 7.524 -7.021 1.00 0.00 C ATOM 266 OG SER A 20 -8.693 6.413 -7.332 1.00 0.00 O ATOM 0 H SER A 20 -8.871 6.825 -4.677 1.00 0.00 H new ATOM 0 HA SER A 20 -6.192 6.748 -5.926 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.482 8.422 -6.938 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.162 7.695 -7.832 1.00 0.00 H new ATOM 0 HG SER A 20 -9.170 6.584 -8.171 1.00 0.00 H new ATOM 272 N MET A 21 -5.507 8.736 -4.601 1.00 0.00 N ATOM 273 CA MET A 21 -5.029 9.965 -3.977 1.00 0.00 C ATOM 274 C MET A 21 -3.764 10.467 -4.665 1.00 0.00 C ATOM 275 O MET A 21 -2.926 9.689 -5.122 1.00 0.00 O ATOM 276 CB MET A 21 -4.756 9.734 -2.489 1.00 0.00 C ATOM 277 CG MET A 21 -4.982 8.297 -2.046 1.00 0.00 C ATOM 278 SD MET A 21 -4.596 8.040 -0.303 1.00 0.00 S ATOM 279 CE MET A 21 -4.145 6.306 -0.309 1.00 0.00 C ATOM 0 H MET A 21 -4.821 7.981 -4.628 1.00 0.00 H new ATOM 0 HA MET A 21 -5.805 10.723 -4.084 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.726 10.016 -2.269 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.399 10.392 -1.904 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.021 8.024 -2.228 1.00 0.00 H new ATOM 0 HG3 MET A 21 -4.367 7.633 -2.652 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.862 6.000 0.698 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.994 5.710 -0.644 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.304 6.151 -0.985 1.00 0.00 H new ATOM 289 N PRO A 22 -3.620 11.798 -4.744 1.00 0.00 N ATOM 290 CA PRO A 22 -2.460 12.434 -5.375 1.00 0.00 C ATOM 291 C PRO A 22 -1.183 12.246 -4.563 1.00 0.00 C ATOM 292 O PRO A 22 -1.229 11.852 -3.398 1.00 0.00 O ATOM 293 CB PRO A 22 -2.849 13.913 -5.425 1.00 0.00 C ATOM 294 CG PRO A 22 -3.828 14.085 -4.315 1.00 0.00 C ATOM 295 CD PRO A 22 -4.579 12.786 -4.221 1.00 0.00 C ATOM 0 HA PRO A 22 -2.241 12.004 -6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.979 14.556 -5.289 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.291 14.174 -6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.320 14.311 -3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.506 14.914 -4.517 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.867 12.562 -3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.495 12.808 -4.811 1.00 0.00 H new ATOM 303 N ALA A 23 -0.044 12.529 -5.187 1.00 0.00 N ATOM 304 CA ALA A 23 1.246 12.394 -4.521 1.00 0.00 C ATOM 305 C ALA A 23 1.512 13.575 -3.594 1.00 0.00 C ATOM 306 O ALA A 23 0.600 14.328 -3.252 1.00 0.00 O ATOM 307 CB ALA A 23 2.360 12.265 -5.549 1.00 0.00 C ATOM 0 H ALA A 23 0.012 12.853 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 23 1.221 11.489 -3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.317 12.165 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.185 11.384 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.377 13.153 -6.180 1.00 0.00 H new ATOM 391 N ARG A 29 4.169 8.175 2.405 1.00 0.00 N ATOM 392 CA ARG A 29 2.772 8.292 2.805 1.00 0.00 C ATOM 393 C ARG A 29 2.615 8.064 4.306 1.00 0.00 C ATOM 394 O ARG A 29 3.566 7.685 4.989 1.00 0.00 O ATOM 395 CB ARG A 29 1.913 7.289 2.034 1.00 0.00 C ATOM 396 CG ARG A 29 1.117 7.914 0.900 1.00 0.00 C ATOM 397 CD ARG A 29 1.910 9.006 0.199 1.00 0.00 C ATOM 398 NE ARG A 29 1.523 9.150 -1.202 1.00 0.00 N ATOM 399 CZ ARG A 29 0.340 9.610 -1.595 1.00 0.00 C ATOM 400 NH1 ARG A 29 -0.566 9.970 -0.696 1.00 0.00 N ATOM 401 NH2 ARG A 29 0.062 9.712 -2.888 1.00 0.00 N ATOM 0 HA ARG A 29 2.437 9.303 2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.557 6.509 1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.224 6.805 2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.841 7.144 0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.189 8.331 1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.758 9.953 0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.974 8.777 0.259 1.00 0.00 H new ATOM 0 HE ARG A 29 2.198 8.883 -1.918 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.355 9.894 0.299 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.474 10.323 -1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.757 9.437 -3.582 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.847 10.065 -3.188 1.00 0.00 H new ATOM 415 N GLY A 30 1.408 8.297 4.812 1.00 0.00 N ATOM 416 CA GLY A 30 1.150 8.112 6.228 1.00 0.00 C ATOM 417 C GLY A 30 0.905 6.660 6.588 1.00 0.00 C ATOM 418 O GLY A 30 0.572 6.343 7.730 1.00 0.00 O ATOM 0 H GLY A 30 0.605 8.610 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.998 8.487 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.283 8.706 6.517 1.00 0.00 H new ATOM 422 N PHE A 31 1.070 5.774 5.611 1.00 0.00 N ATOM 423 CA PHE A 31 0.863 4.347 5.830 1.00 0.00 C ATOM 424 C PHE A 31 1.969 3.529 5.170 1.00 0.00 C ATOM 425 O PHE A 31 2.355 3.793 4.031 1.00 0.00 O ATOM 426 CB PHE A 31 -0.500 3.919 5.282 1.00 0.00 C ATOM 427 CG PHE A 31 -0.443 3.394 3.876 1.00 0.00 C ATOM 428 CD1 PHE A 31 -0.357 4.263 2.801 1.00 0.00 C ATOM 429 CD2 PHE A 31 -0.475 2.031 3.630 1.00 0.00 C ATOM 430 CE1 PHE A 31 -0.305 3.783 1.506 1.00 0.00 C ATOM 431 CE2 PHE A 31 -0.423 1.544 2.337 1.00 0.00 C ATOM 432 CZ PHE A 31 -0.337 2.422 1.274 1.00 0.00 C ATOM 0 H PHE A 31 1.346 6.019 4.660 1.00 0.00 H new ATOM 0 HA PHE A 31 0.890 4.161 6.904 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.919 3.150 5.932 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.180 4.770 5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.330 5.328 2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.541 1.341 4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.239 4.471 0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.450 0.479 2.158 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.295 2.045 0.263 1.00 0.00 H new ATOM 442 N SER A 32 2.475 2.536 5.894 1.00 0.00 N ATOM 443 CA SER A 32 3.539 1.682 5.382 1.00 0.00 C ATOM 444 C SER A 32 3.047 0.249 5.202 1.00 0.00 C ATOM 445 O SER A 32 2.193 -0.226 5.952 1.00 0.00 O ATOM 446 CB SER A 32 4.741 1.705 6.329 1.00 0.00 C ATOM 447 OG SER A 32 4.590 2.706 7.320 1.00 0.00 O ATOM 0 H SER A 32 2.165 2.303 6.837 1.00 0.00 H new ATOM 0 HA SER A 32 3.844 2.068 4.409 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.851 0.731 6.805 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.653 1.887 5.760 1.00 0.00 H new ATOM 0 HG SER A 32 5.370 2.699 7.913 1.00 0.00 H new ATOM 453 N VAL A 33 3.591 -0.436 4.201 1.00 0.00 N ATOM 454 CA VAL A 33 3.209 -1.815 3.922 1.00 0.00 C ATOM 455 C VAL A 33 4.380 -2.766 4.147 1.00 0.00 C ATOM 456 O VAL A 33 5.536 -2.413 3.911 1.00 0.00 O ATOM 457 CB VAL A 33 2.703 -1.975 2.476 1.00 0.00 C ATOM 458 CG1 VAL A 33 1.569 -1.001 2.196 1.00 0.00 C ATOM 459 CG2 VAL A 33 3.842 -1.778 1.488 1.00 0.00 C ATOM 0 H VAL A 33 4.298 -0.058 3.570 1.00 0.00 H new ATOM 0 HA VAL A 33 2.403 -2.066 4.611 1.00 0.00 H new ATOM 0 HB VAL A 33 2.318 -2.988 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.225 -1.129 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.745 -1.195 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.924 0.020 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.466 -1.895 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.259 -0.778 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.618 -2.520 1.675 1.00 0.00 H new ATOM 469 N THR A 34 4.072 -3.976 4.605 1.00 0.00 N ATOM 470 CA THR A 34 5.098 -4.978 4.863 1.00 0.00 C ATOM 471 C THR A 34 5.308 -5.875 3.648 1.00 0.00 C ATOM 472 O THR A 34 4.359 -6.451 3.117 1.00 0.00 O ATOM 473 CB THR A 34 4.735 -5.854 6.077 1.00 0.00 C ATOM 474 OG1 THR A 34 5.049 -5.163 7.291 1.00 0.00 O ATOM 475 CG2 THR A 34 5.483 -7.178 6.032 1.00 0.00 C ATOM 0 H THR A 34 3.121 -4.285 4.805 1.00 0.00 H new ATOM 0 HA THR A 34 6.021 -4.438 5.077 1.00 0.00 H new ATOM 0 HB THR A 34 3.665 -6.059 6.043 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.814 -5.726 8.058 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.211 -7.779 6.899 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.219 -7.714 5.121 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.557 -6.990 6.044 1.00 0.00 H new ATOM 483 N VAL A 35 6.559 -5.991 3.213 1.00 0.00 N ATOM 484 CA VAL A 35 6.894 -6.820 2.062 1.00 0.00 C ATOM 485 C VAL A 35 7.715 -8.035 2.479 1.00 0.00 C ATOM 486 O VAL A 35 8.703 -7.909 3.202 1.00 0.00 O ATOM 487 CB VAL A 35 7.681 -6.021 1.005 1.00 0.00 C ATOM 488 CG1 VAL A 35 8.406 -6.962 0.055 1.00 0.00 C ATOM 489 CG2 VAL A 35 6.752 -5.090 0.241 1.00 0.00 C ATOM 0 H VAL A 35 7.357 -5.521 3.641 1.00 0.00 H new ATOM 0 HA VAL A 35 5.952 -7.154 1.628 1.00 0.00 H new ATOM 0 HB VAL A 35 8.428 -5.413 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.956 -6.380 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.102 -7.583 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.680 -7.598 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.324 -4.534 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.981 -5.676 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.284 -4.393 0.936 1.00 0.00 H new ATOM 499 N GLU A 36 7.299 -9.210 2.019 1.00 0.00 N ATOM 500 CA GLU A 36 7.996 -10.448 2.346 1.00 0.00 C ATOM 501 C GLU A 36 8.510 -11.133 1.083 1.00 0.00 C ATOM 502 O GLU A 36 7.870 -11.082 0.032 1.00 0.00 O ATOM 503 CB GLU A 36 7.069 -11.395 3.111 1.00 0.00 C ATOM 504 CG GLU A 36 7.061 -11.158 4.612 1.00 0.00 C ATOM 505 CD GLU A 36 5.819 -11.711 5.283 1.00 0.00 C ATOM 506 OE1 GLU A 36 4.729 -11.623 4.678 1.00 0.00 O ATOM 507 OE2 GLU A 36 5.935 -12.231 6.412 1.00 0.00 O ATOM 0 H GLU A 36 6.483 -9.331 1.419 1.00 0.00 H new ATOM 0 HA GLU A 36 8.849 -10.198 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.054 -11.284 2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.373 -12.423 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.944 -11.620 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.129 -10.088 4.808 1.00 0.00 H new ATOM 514 N SER A 37 9.670 -11.773 1.194 1.00 0.00 N ATOM 515 CA SER A 37 10.273 -12.464 0.060 1.00 0.00 C ATOM 516 C SER A 37 10.827 -13.821 0.484 1.00 0.00 C ATOM 517 O SER A 37 11.339 -13.976 1.592 1.00 0.00 O ATOM 518 CB SER A 37 11.388 -11.613 -0.549 1.00 0.00 C ATOM 519 OG SER A 37 10.860 -10.470 -1.200 1.00 0.00 O ATOM 0 H SER A 37 10.211 -11.827 2.057 1.00 0.00 H new ATOM 0 HA SER A 37 9.498 -12.625 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.081 -11.302 0.233 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.958 -12.210 -1.261 1.00 0.00 H new ATOM 0 HG SER A 37 10.557 -10.716 -2.099 1.00 0.00 H new ATOM 571 N TYR A 42 11.753 -11.640 -5.861 1.00 0.00 N ATOM 572 CA TYR A 42 10.641 -10.704 -5.969 1.00 0.00 C ATOM 573 C TYR A 42 9.762 -10.756 -4.723 1.00 0.00 C ATOM 574 O TYR A 42 10.061 -11.471 -3.768 1.00 0.00 O ATOM 575 CB TYR A 42 9.804 -11.016 -7.211 1.00 0.00 C ATOM 576 CG TYR A 42 8.966 -12.267 -7.078 1.00 0.00 C ATOM 577 CD1 TYR A 42 9.221 -13.195 -6.076 1.00 0.00 C ATOM 578 CD2 TYR A 42 7.917 -12.521 -7.954 1.00 0.00 C ATOM 579 CE1 TYR A 42 8.459 -14.340 -5.952 1.00 0.00 C ATOM 580 CE2 TYR A 42 7.148 -13.662 -7.836 1.00 0.00 C ATOM 581 CZ TYR A 42 7.423 -14.569 -6.833 1.00 0.00 C ATOM 582 OH TYR A 42 6.660 -15.708 -6.712 1.00 0.00 O ATOM 0 HA TYR A 42 11.052 -9.699 -6.059 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.149 -10.170 -7.419 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.468 -11.123 -8.069 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.029 -13.018 -5.382 1.00 0.00 H new ATOM 0 HD2 TYR A 42 7.700 -11.814 -8.741 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.673 -15.052 -5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.336 -13.843 -8.525 1.00 0.00 H new ATOM 0 HH TYR A 42 5.972 -15.716 -7.410 1.00 0.00 H new ATOM 592 N ALA A 43 8.674 -9.992 -4.742 1.00 0.00 N ATOM 593 CA ALA A 43 7.749 -9.952 -3.617 1.00 0.00 C ATOM 594 C ALA A 43 6.972 -11.259 -3.498 1.00 0.00 C ATOM 595 O ALA A 43 6.874 -12.025 -4.457 1.00 0.00 O ATOM 596 CB ALA A 43 6.792 -8.778 -3.761 1.00 0.00 C ATOM 0 H ALA A 43 8.412 -9.393 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 43 8.331 -9.822 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.107 -8.761 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.359 -7.848 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.223 -8.883 -4.685 1.00 0.00 H new ATOM 602 N THR A 44 6.420 -11.509 -2.315 1.00 0.00 N ATOM 603 CA THR A 44 5.653 -12.724 -2.070 1.00 0.00 C ATOM 604 C THR A 44 4.281 -12.400 -1.490 1.00 0.00 C ATOM 605 O THR A 44 3.262 -12.916 -1.952 1.00 0.00 O ATOM 606 CB THR A 44 6.394 -13.672 -1.108 1.00 0.00 C ATOM 607 OG1 THR A 44 7.367 -14.437 -1.827 1.00 0.00 O ATOM 608 CG2 THR A 44 5.417 -14.608 -0.413 1.00 0.00 C ATOM 0 H THR A 44 6.490 -10.886 -1.511 1.00 0.00 H new ATOM 0 HA THR A 44 5.530 -13.220 -3.033 1.00 0.00 H new ATOM 0 HB THR A 44 6.895 -13.068 -0.351 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.835 -15.036 -1.208 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.963 -15.268 0.261 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.695 -14.023 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.892 -15.205 -1.159 1.00 0.00 H new ATOM 616 N THR A 45 4.260 -11.541 -0.476 1.00 0.00 N ATOM 617 CA THR A 45 3.012 -11.149 0.168 1.00 0.00 C ATOM 618 C THR A 45 3.120 -9.753 0.772 1.00 0.00 C ATOM 619 O THR A 45 4.150 -9.390 1.340 1.00 0.00 O ATOM 620 CB THR A 45 2.612 -12.145 1.273 1.00 0.00 C ATOM 621 OG1 THR A 45 2.235 -13.397 0.690 1.00 0.00 O ATOM 622 CG2 THR A 45 1.461 -11.598 2.103 1.00 0.00 C ATOM 0 H THR A 45 5.093 -11.103 -0.083 1.00 0.00 H new ATOM 0 HA THR A 45 2.244 -11.149 -0.605 1.00 0.00 H new ATOM 0 HB THR A 45 3.471 -12.294 1.927 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.381 -13.364 -0.278 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.196 -12.318 2.877 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.762 -10.660 2.569 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.599 -11.423 1.459 1.00 0.00 H new ATOM 630 N VAL A 46 2.050 -8.975 0.646 1.00 0.00 N ATOM 631 CA VAL A 46 2.024 -7.619 1.181 1.00 0.00 C ATOM 632 C VAL A 46 0.857 -7.430 2.144 1.00 0.00 C ATOM 633 O VAL A 46 -0.213 -8.009 1.957 1.00 0.00 O ATOM 634 CB VAL A 46 1.921 -6.573 0.055 1.00 0.00 C ATOM 635 CG1 VAL A 46 2.288 -5.191 0.575 1.00 0.00 C ATOM 636 CG2 VAL A 46 2.808 -6.963 -1.117 1.00 0.00 C ATOM 0 H VAL A 46 1.190 -9.260 0.178 1.00 0.00 H new ATOM 0 HA VAL A 46 2.961 -7.473 1.718 1.00 0.00 H new ATOM 0 HB VAL A 46 0.889 -6.541 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.210 -4.465 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.607 -4.912 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.310 -5.204 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.723 -6.213 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.844 -7.024 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.494 -7.932 -1.505 1.00 0.00 H new ATOM 646 N GLN A 47 1.072 -6.617 3.173 1.00 0.00 N ATOM 647 CA GLN A 47 0.037 -6.352 4.165 1.00 0.00 C ATOM 648 C GLN A 47 0.176 -4.944 4.735 1.00 0.00 C ATOM 649 O GLN A 47 1.275 -4.394 4.797 1.00 0.00 O ATOM 650 CB GLN A 47 0.108 -7.382 5.295 1.00 0.00 C ATOM 651 CG GLN A 47 -1.221 -8.059 5.586 1.00 0.00 C ATOM 652 CD GLN A 47 -1.061 -9.516 5.974 1.00 0.00 C ATOM 653 OE1 GLN A 47 -1.384 -10.416 5.198 1.00 0.00 O ATOM 654 NE2 GLN A 47 -0.559 -9.756 7.180 1.00 0.00 N ATOM 0 H GLN A 47 1.953 -6.131 3.341 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.932 -6.430 3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.845 -8.143 5.036 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.462 -6.891 6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.727 -7.526 6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.860 -7.989 4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.305 -8.979 7.790 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.428 -10.717 7.496 1.00 0.00 H new ATOM 663 N VAL A 48 -0.947 -4.366 5.150 1.00 0.00 N ATOM 664 CA VAL A 48 -0.950 -3.022 5.716 1.00 0.00 C ATOM 665 C VAL A 48 -0.452 -3.031 7.157 1.00 0.00 C ATOM 666 O VAL A 48 -1.157 -3.470 8.066 1.00 0.00 O ATOM 667 CB VAL A 48 -2.358 -2.399 5.674 1.00 0.00 C ATOM 668 CG1 VAL A 48 -2.327 -0.973 6.203 1.00 0.00 C ATOM 669 CG2 VAL A 48 -2.917 -2.440 4.260 1.00 0.00 C ATOM 0 H VAL A 48 -1.866 -4.807 5.105 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.276 -2.420 5.106 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.015 -2.985 6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.331 -0.549 6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.972 -0.975 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.656 -0.372 5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.912 -1.996 4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.262 -1.879 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.978 -3.475 3.923 1.00 0.00 H new ATOM 679 N LYS A 49 0.767 -2.542 7.359 1.00 0.00 N ATOM 680 CA LYS A 49 1.360 -2.491 8.689 1.00 0.00 C ATOM 681 C LYS A 49 0.564 -1.567 9.605 1.00 0.00 C ATOM 682 O LYS A 49 -0.034 -2.013 10.584 1.00 0.00 O ATOM 683 CB LYS A 49 2.812 -2.016 8.605 1.00 0.00 C ATOM 684 CG LYS A 49 3.418 -1.668 9.953 1.00 0.00 C ATOM 685 CD LYS A 49 4.896 -2.019 10.008 1.00 0.00 C ATOM 686 CE LYS A 49 5.112 -3.444 10.496 1.00 0.00 C ATOM 687 NZ LYS A 49 6.182 -3.520 11.529 1.00 0.00 N ATOM 0 H LYS A 49 1.364 -2.175 6.617 1.00 0.00 H new ATOM 0 HA LYS A 49 1.337 -3.497 9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.413 -2.795 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.862 -1.141 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.289 -0.603 10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.887 -2.202 10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.336 -1.902 9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.412 -1.324 10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.181 -3.832 10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.376 -4.081 9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.299 -4.507 11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.077 -3.174 11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.918 -2.932 12.346 1.00 0.00 H new ATOM 701 N GLU A 50 0.561 -0.278 9.280 1.00 0.00 N ATOM 702 CA GLU A 50 -0.163 0.708 10.074 1.00 0.00 C ATOM 703 C GLU A 50 -0.689 1.837 9.192 1.00 0.00 C ATOM 704 O GLU A 50 -0.083 2.180 8.177 1.00 0.00 O ATOM 705 CB GLU A 50 0.742 1.279 11.167 1.00 0.00 C ATOM 706 CG GLU A 50 0.657 0.526 12.484 1.00 0.00 C ATOM 707 CD GLU A 50 -0.063 1.314 13.561 1.00 0.00 C ATOM 708 OE1 GLU A 50 -1.311 1.294 13.578 1.00 0.00 O ATOM 709 OE2 GLU A 50 0.623 1.951 14.388 1.00 0.00 O ATOM 0 H GLU A 50 1.051 0.108 8.473 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.013 0.209 10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.774 1.265 10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.477 2.323 11.337 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.140 -0.420 12.324 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.664 0.286 12.826 1.00 0.00 H new ATOM 716 N VAL A 51 -1.821 2.410 9.587 1.00 0.00 N ATOM 717 CA VAL A 51 -2.430 3.500 8.835 1.00 0.00 C ATOM 718 C VAL A 51 -2.701 4.703 9.731 1.00 0.00 C ATOM 719 O VAL A 51 -3.402 4.595 10.736 1.00 0.00 O ATOM 720 CB VAL A 51 -3.749 3.058 8.174 1.00 0.00 C ATOM 721 CG1 VAL A 51 -4.235 4.114 7.192 1.00 0.00 C ATOM 722 CG2 VAL A 51 -3.574 1.715 7.481 1.00 0.00 C ATOM 0 H VAL A 51 -2.335 2.137 10.424 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.720 3.783 8.058 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.504 2.944 8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.168 3.784 6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.402 5.053 7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.484 4.263 6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.516 1.418 7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.805 1.799 6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.276 0.964 8.213 1.00 0.00 H new ATOM 732 N ASN A 52 -2.141 5.849 9.360 1.00 0.00 N ATOM 733 CA ASN A 52 -2.322 7.074 10.131 1.00 0.00 C ATOM 734 C ASN A 52 -3.485 7.895 9.582 1.00 0.00 C ATOM 735 O ASN A 52 -3.527 8.212 8.393 1.00 0.00 O ATOM 736 CB ASN A 52 -1.040 7.908 10.112 1.00 0.00 C ATOM 737 CG ASN A 52 -0.629 8.368 11.497 1.00 0.00 C ATOM 738 OD1 ASN A 52 -1.071 9.414 11.973 1.00 0.00 O ATOM 739 ND2 ASN A 52 0.222 7.586 12.152 1.00 0.00 N ATOM 0 H ASN A 52 -1.558 5.956 8.530 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.550 6.796 11.160 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.234 7.320 9.673 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.185 8.778 9.471 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.535 7.844 13.088 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.563 6.728 11.719 1.00 0.00 H new ATOM 746 N ARG A 53 -4.425 8.238 10.456 1.00 0.00 N ATOM 747 CA ARG A 53 -5.589 9.022 10.059 1.00 0.00 C ATOM 748 C ARG A 53 -5.270 10.514 10.076 1.00 0.00 C ATOM 749 O ARG A 53 -6.015 11.324 9.525 1.00 0.00 O ATOM 750 CB ARG A 53 -6.768 8.731 10.990 1.00 0.00 C ATOM 751 CG ARG A 53 -6.991 7.250 11.245 1.00 0.00 C ATOM 752 CD ARG A 53 -7.217 6.967 12.722 1.00 0.00 C ATOM 753 NE ARG A 53 -6.986 5.563 13.052 1.00 0.00 N ATOM 754 CZ ARG A 53 -6.753 5.126 14.285 1.00 0.00 C ATOM 755 NH1 ARG A 53 -6.721 5.980 15.299 1.00 0.00 N ATOM 756 NH2 ARG A 53 -6.553 3.833 14.505 1.00 0.00 N ATOM 0 H ARG A 53 -4.404 7.985 11.444 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.859 8.737 9.042 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.601 9.234 11.942 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.674 9.157 10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.852 6.907 10.672 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.128 6.685 10.893 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.552 7.593 13.317 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.237 7.240 12.991 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.005 4.880 12.294 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.875 6.975 15.133 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.542 5.642 16.245 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.578 3.174 13.727 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.374 3.498 15.452 1.00 0.00 H new ATOM 770 N MET A 54 -4.158 10.869 10.710 1.00 0.00 N ATOM 771 CA MET A 54 -3.740 12.264 10.797 1.00 0.00 C ATOM 772 C MET A 54 -2.909 12.659 9.581 1.00 0.00 C ATOM 773 O MET A 54 -2.469 13.803 9.463 1.00 0.00 O ATOM 774 CB MET A 54 -2.935 12.499 12.077 1.00 0.00 C ATOM 775 CG MET A 54 -3.704 12.171 13.347 1.00 0.00 C ATOM 776 SD MET A 54 -5.234 13.115 13.495 1.00 0.00 S ATOM 777 CE MET A 54 -6.417 11.799 13.773 1.00 0.00 C ATOM 0 H MET A 54 -3.530 10.211 11.171 1.00 0.00 H new ATOM 0 HA MET A 54 -4.636 12.885 10.821 1.00 0.00 H new ATOM 0 HB2 MET A 54 -2.030 11.893 12.043 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.620 13.542 12.112 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.936 11.106 13.362 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.072 12.372 14.212 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.289 12.197 14.292 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.725 11.379 12.816 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.958 11.019 14.381 1.00 0.00 H new ATOM 787 N HIS A 55 -2.698 11.706 8.679 1.00 0.00 N ATOM 788 CA HIS A 55 -1.919 11.956 7.470 1.00 0.00 C ATOM 789 C HIS A 55 -2.761 11.710 6.222 1.00 0.00 C ATOM 790 O HIS A 55 -2.533 12.323 5.178 1.00 0.00 O ATOM 791 CB HIS A 55 -0.677 11.065 7.446 1.00 0.00 C ATOM 792 CG HIS A 55 0.587 11.791 7.789 1.00 0.00 C ATOM 793 ND1 HIS A 55 1.760 11.636 7.081 1.00 0.00 N ATOM 794 CD2 HIS A 55 0.858 12.682 8.772 1.00 0.00 C ATOM 795 CE1 HIS A 55 2.698 12.399 7.615 1.00 0.00 C ATOM 796 NE2 HIS A 55 2.176 13.044 8.642 1.00 0.00 N ATOM 0 H HIS A 55 -3.055 10.754 8.762 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.607 13.000 7.476 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.816 10.243 8.148 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -0.575 10.624 6.454 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.166 13.041 9.519 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.718 12.481 7.270 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.671 13.704 9.241 1.00 0.00 H new ATOM 805 N ILE A 56 -3.732 10.811 6.336 1.00 0.00 N ATOM 806 CA ILE A 56 -4.607 10.486 5.217 1.00 0.00 C ATOM 807 C ILE A 56 -5.903 11.286 5.281 1.00 0.00 C ATOM 808 O ILE A 56 -6.343 11.690 6.357 1.00 0.00 O ATOM 809 CB ILE A 56 -4.946 8.984 5.185 1.00 0.00 C ATOM 810 CG1 ILE A 56 -3.665 8.148 5.252 1.00 0.00 C ATOM 811 CG2 ILE A 56 -5.740 8.646 3.932 1.00 0.00 C ATOM 812 CD1 ILE A 56 -3.914 6.657 5.206 1.00 0.00 C ATOM 0 H ILE A 56 -3.933 10.294 7.192 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.066 10.748 4.308 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.559 8.747 6.055 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.016 8.426 4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.130 8.391 6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.972 7.581 3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.667 9.219 3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.151 8.895 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.963 6.127 5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.538 6.366 6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.422 6.401 4.276 1.00 0.00 H new ATOM 824 N SER A 57 -6.512 11.512 4.121 1.00 0.00 N ATOM 825 CA SER A 57 -7.757 12.266 4.044 1.00 0.00 C ATOM 826 C SER A 57 -8.953 11.375 4.368 1.00 0.00 C ATOM 827 O SER A 57 -8.866 10.147 4.352 1.00 0.00 O ATOM 828 CB SER A 57 -7.924 12.876 2.651 1.00 0.00 C ATOM 829 OG SER A 57 -7.775 14.285 2.691 1.00 0.00 O ATOM 0 H SER A 57 -6.162 11.183 3.221 1.00 0.00 H new ATOM 0 HA SER A 57 -7.713 13.068 4.781 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.186 12.448 1.972 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.907 12.622 2.255 1.00 0.00 H new ATOM 0 HG SER A 57 -7.884 14.651 1.789 1.00 0.00 H new ATOM 835 N PRO A 58 -10.097 12.007 4.668 1.00 0.00 N ATOM 836 CA PRO A 58 -11.332 11.292 5.001 1.00 0.00 C ATOM 837 C PRO A 58 -11.931 10.576 3.795 1.00 0.00 C ATOM 838 O PRO A 58 -12.826 9.744 3.936 1.00 0.00 O ATOM 839 CB PRO A 58 -12.268 12.405 5.480 1.00 0.00 C ATOM 840 CG PRO A 58 -11.762 13.638 4.814 1.00 0.00 C ATOM 841 CD PRO A 58 -10.272 13.469 4.706 1.00 0.00 C ATOM 0 HA PRO A 58 -11.163 10.510 5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.302 12.200 5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.244 12.503 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.213 13.763 3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.013 14.526 5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.878 13.945 3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.754 13.914 5.556 1.00 0.00 H new ATOM 849 N ASN A 59 -11.429 10.905 2.609 1.00 0.00 N ATOM 850 CA ASN A 59 -11.915 10.292 1.377 1.00 0.00 C ATOM 851 C ASN A 59 -11.108 9.043 1.036 1.00 0.00 C ATOM 852 O ASN A 59 -11.530 8.223 0.222 1.00 0.00 O ATOM 853 CB ASN A 59 -11.840 11.293 0.222 1.00 0.00 C ATOM 854 CG ASN A 59 -13.127 12.078 0.053 1.00 0.00 C ATOM 855 OD1 ASN A 59 -14.074 11.911 0.821 1.00 0.00 O ATOM 856 ND2 ASN A 59 -13.165 12.940 -0.956 1.00 0.00 N ATOM 0 H ASN A 59 -10.687 11.592 2.475 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.954 10.001 1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.016 11.985 0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.618 10.761 -0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.004 13.497 -1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.356 13.045 -1.568 1.00 0.00 H new ATOM 863 N ASN A 60 -9.945 8.906 1.665 1.00 0.00 N ATOM 864 CA ASN A 60 -9.079 7.757 1.429 1.00 0.00 C ATOM 865 C ASN A 60 -9.015 6.861 2.662 1.00 0.00 C ATOM 866 O ASN A 60 -8.848 5.646 2.551 1.00 0.00 O ATOM 867 CB ASN A 60 -7.672 8.222 1.049 1.00 0.00 C ATOM 868 CG ASN A 60 -7.687 9.494 0.222 1.00 0.00 C ATOM 869 OD1 ASN A 60 -7.035 10.479 0.567 1.00 0.00 O ATOM 870 ND2 ASN A 60 -8.435 9.477 -0.875 1.00 0.00 N ATOM 0 H ASN A 60 -9.581 9.577 2.342 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.499 7.181 0.605 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.090 8.388 1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.171 7.433 0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.486 10.303 -1.471 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.959 8.637 -1.122 1.00 0.00 H new ATOM 877 N ARG A 61 -9.149 7.469 3.836 1.00 0.00 N ATOM 878 CA ARG A 61 -9.105 6.727 5.090 1.00 0.00 C ATOM 879 C ARG A 61 -10.391 5.932 5.296 1.00 0.00 C ATOM 880 O ARG A 61 -10.490 5.121 6.216 1.00 0.00 O ATOM 881 CB ARG A 61 -8.890 7.682 6.265 1.00 0.00 C ATOM 882 CG ARG A 61 -10.166 8.353 6.746 1.00 0.00 C ATOM 883 CD ARG A 61 -10.651 7.754 8.057 1.00 0.00 C ATOM 884 NE ARG A 61 -11.391 8.722 8.861 1.00 0.00 N ATOM 885 CZ ARG A 61 -11.526 8.632 10.180 1.00 0.00 C ATOM 886 NH1 ARG A 61 -10.974 7.623 10.839 1.00 0.00 N ATOM 887 NH2 ARG A 61 -12.215 9.553 10.842 1.00 0.00 N ATOM 0 H ARG A 61 -9.289 8.473 3.945 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.270 6.028 5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.445 7.131 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.174 8.450 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.990 9.421 6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.942 8.248 5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.287 6.894 7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.797 7.388 8.626 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.828 9.511 8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.444 6.913 10.334 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.079 7.557 11.851 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.641 10.331 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.318 9.483 11.854 1.00 0.00 H new ATOM 901 N ASN A 62 -11.373 6.171 4.433 1.00 0.00 N ATOM 902 CA ASN A 62 -12.653 5.477 4.521 1.00 0.00 C ATOM 903 C ASN A 62 -12.653 4.223 3.652 1.00 0.00 C ATOM 904 O ASN A 62 -13.681 3.563 3.497 1.00 0.00 O ATOM 905 CB ASN A 62 -13.791 6.407 4.094 1.00 0.00 C ATOM 906 CG ASN A 62 -15.145 5.924 4.576 1.00 0.00 C ATOM 907 OD1 ASN A 62 -16.000 5.540 3.778 1.00 0.00 O ATOM 908 ND2 ASN A 62 -15.346 5.941 5.889 1.00 0.00 N ATOM 0 H ASN A 62 -11.307 6.839 3.665 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.806 5.179 5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.605 7.407 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.803 6.487 3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.238 5.627 6.273 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.609 6.268 6.514 1.00 0.00 H new ATOM 915 N ALA A 63 -11.494 3.900 3.088 1.00 0.00 N ATOM 916 CA ALA A 63 -11.360 2.724 2.238 1.00 0.00 C ATOM 917 C ALA A 63 -10.245 1.811 2.737 1.00 0.00 C ATOM 918 O ALA A 63 -10.363 0.586 2.682 1.00 0.00 O ATOM 919 CB ALA A 63 -11.098 3.141 0.798 1.00 0.00 C ATOM 0 H ALA A 63 -10.634 4.436 3.205 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.296 2.167 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.000 2.253 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.929 3.747 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.177 3.722 0.749 1.00 0.00 H new ATOM 925 N ILE A 64 -9.165 2.413 3.222 1.00 0.00 N ATOM 926 CA ILE A 64 -8.030 1.653 3.731 1.00 0.00 C ATOM 927 C ILE A 64 -8.028 1.623 5.255 1.00 0.00 C ATOM 928 O ILE A 64 -8.663 2.454 5.904 1.00 0.00 O ATOM 929 CB ILE A 64 -6.694 2.238 3.238 1.00 0.00 C ATOM 930 CG1 ILE A 64 -5.603 1.165 3.258 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.289 3.429 4.094 1.00 0.00 C ATOM 932 CD1 ILE A 64 -4.394 1.517 2.421 1.00 0.00 C ATOM 0 H ILE A 64 -9.052 3.425 3.273 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.134 0.637 3.350 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.822 2.580 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.286 1.000 4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.022 0.225 2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.343 3.831 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.058 4.199 4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.176 3.111 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.662 0.712 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.697 1.654 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.950 2.440 2.794 1.00 0.00 H new ATOM 944 N HIS A 65 -7.307 0.660 5.821 1.00 0.00 N ATOM 945 CA HIS A 65 -7.220 0.522 7.271 1.00 0.00 C ATOM 946 C HIS A 65 -6.423 -0.722 7.651 1.00 0.00 C ATOM 947 O HIS A 65 -6.245 -1.643 6.854 1.00 0.00 O ATOM 948 CB HIS A 65 -8.619 0.453 7.883 1.00 0.00 C ATOM 949 CG HIS A 65 -8.953 1.628 8.749 1.00 0.00 C ATOM 950 ND1 HIS A 65 -8.693 2.932 8.382 1.00 0.00 N ATOM 951 CD2 HIS A 65 -9.530 1.691 9.972 1.00 0.00 C ATOM 952 CE1 HIS A 65 -9.095 3.746 9.341 1.00 0.00 C ATOM 953 NE2 HIS A 65 -9.607 3.018 10.318 1.00 0.00 N ATOM 0 H HIS A 65 -6.775 -0.036 5.298 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.703 1.397 7.664 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.354 0.383 7.081 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.703 -0.459 8.474 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.258 3.222 7.506 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.867 0.854 10.565 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.018 4.823 9.329 1.00 0.00 H new ATOM 962 N PRO A 66 -5.930 -0.751 8.899 1.00 0.00 N ATOM 963 CA PRO A 66 -5.144 -1.876 9.413 1.00 0.00 C ATOM 964 C PRO A 66 -5.988 -3.131 9.612 1.00 0.00 C ATOM 965 O PRO A 66 -6.967 -3.120 10.356 1.00 0.00 O ATOM 966 CB PRO A 66 -4.625 -1.362 10.758 1.00 0.00 C ATOM 967 CG PRO A 66 -5.613 -0.326 11.173 1.00 0.00 C ATOM 968 CD PRO A 66 -6.103 0.312 9.903 1.00 0.00 C ATOM 0 HA PRO A 66 -4.355 -2.171 8.721 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.562 -2.166 11.492 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.625 -0.939 10.661 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.437 -0.773 11.728 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.152 0.413 11.828 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.145 0.622 9.985 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.525 1.201 9.651 1.00 0.00 H new ATOM 976 N GLY A 67 -5.601 -4.212 8.942 1.00 0.00 N ATOM 977 CA GLY A 67 -6.333 -5.459 9.059 1.00 0.00 C ATOM 978 C GLY A 67 -6.669 -6.064 7.710 1.00 0.00 C ATOM 979 O GLY A 67 -7.331 -7.099 7.634 1.00 0.00 O ATOM 0 H GLY A 67 -4.793 -4.246 8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.742 -6.171 9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.254 -5.285 9.615 1.00 0.00 H new ATOM 983 N ASP A 68 -6.213 -5.416 6.644 1.00 0.00 N ATOM 984 CA ASP A 68 -6.469 -5.896 5.291 1.00 0.00 C ATOM 985 C ASP A 68 -5.165 -6.063 4.517 1.00 0.00 C ATOM 986 O ASP A 68 -4.088 -5.737 5.018 1.00 0.00 O ATOM 987 CB ASP A 68 -7.395 -4.929 4.551 1.00 0.00 C ATOM 988 CG ASP A 68 -8.826 -5.005 5.046 1.00 0.00 C ATOM 989 OD1 ASP A 68 -9.507 -6.006 4.742 1.00 0.00 O ATOM 990 OD2 ASP A 68 -9.263 -4.062 5.739 1.00 0.00 O ATOM 0 H ASP A 68 -5.664 -4.557 6.690 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.955 -6.869 5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.025 -3.911 4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.370 -5.151 3.484 1.00 0.00 H new ATOM 995 N ARG A 69 -5.269 -6.574 3.295 1.00 0.00 N ATOM 996 CA ARG A 69 -4.097 -6.786 2.453 1.00 0.00 C ATOM 997 C ARG A 69 -4.268 -6.101 1.100 1.00 0.00 C ATOM 998 O ARG A 69 -5.381 -5.990 0.586 1.00 0.00 O ATOM 999 CB ARG A 69 -3.853 -8.283 2.251 1.00 0.00 C ATOM 1000 CG ARG A 69 -4.266 -9.133 3.441 1.00 0.00 C ATOM 1001 CD ARG A 69 -5.779 -9.191 3.585 1.00 0.00 C ATOM 1002 NE ARG A 69 -6.255 -10.552 3.821 1.00 0.00 N ATOM 1003 CZ ARG A 69 -6.026 -11.227 4.941 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -5.331 -10.671 5.924 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -6.492 -12.462 5.081 1.00 0.00 N ATOM 0 H ARG A 69 -6.152 -6.849 2.865 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.235 -6.348 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.401 -8.616 1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.794 -8.446 2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.872 -10.142 3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.828 -8.724 4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.089 -8.550 4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.244 -8.796 2.682 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.793 -11.009 3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.971 -9.722 5.821 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.157 -11.192 6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.027 -12.894 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.315 -12.979 5.942 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.159 -5.643 0.531 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.186 -4.969 -0.762 1.00 0.00 C ATOM 1021 C ILE A 70 -3.120 -5.974 -1.907 1.00 0.00 C ATOM 1022 O ILE A 70 -2.204 -6.795 -1.975 1.00 0.00 O ATOM 1023 CB ILE A 70 -2.021 -3.972 -0.901 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.157 -2.848 0.129 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -1.977 -3.402 -2.311 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -0.829 -2.311 0.615 1.00 0.00 C ATOM 0 H ILE A 70 -2.230 -5.726 0.944 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.128 -4.424 -0.814 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.086 -4.500 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.731 -2.032 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.726 -3.215 0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.148 -2.699 -2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.838 -4.212 -3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.913 -2.886 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.002 -1.518 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.261 -3.115 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.266 -1.913 -0.230 1.00 0.00 H new ATOM 1038 N LEU A 71 -4.095 -5.903 -2.806 1.00 0.00 N ATOM 1039 CA LEU A 71 -4.148 -6.805 -3.951 1.00 0.00 C ATOM 1040 C LEU A 71 -3.290 -6.281 -5.097 1.00 0.00 C ATOM 1041 O LEU A 71 -2.506 -7.023 -5.688 1.00 0.00 O ATOM 1042 CB LEU A 71 -5.593 -6.982 -4.420 1.00 0.00 C ATOM 1043 CG LEU A 71 -6.601 -7.398 -3.348 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -5.970 -8.383 -2.376 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -7.126 -6.177 -2.606 1.00 0.00 C ATOM 0 H LEU A 71 -4.860 -5.230 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.753 -7.772 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.928 -6.043 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.607 -7.729 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.441 -7.890 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.702 -8.668 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.644 -9.271 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.111 -7.917 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.842 -6.492 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.296 -5.657 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.617 -5.506 -3.311 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.443 -4.996 -5.405 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.680 -4.373 -6.480 1.00 0.00 C ATOM 1059 C GLU A 72 -2.439 -2.894 -6.189 1.00 0.00 C ATOM 1060 O GLU A 72 -3.237 -2.246 -5.513 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.415 -4.528 -7.813 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.334 -5.930 -8.393 1.00 0.00 C ATOM 1063 CD GLU A 72 -4.658 -6.667 -8.326 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -5.707 -6.022 -8.539 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -4.647 -7.887 -8.059 1.00 0.00 O ATOM 0 H GLU A 72 -4.088 -4.367 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.715 -4.875 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.463 -4.261 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.999 -3.822 -8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.007 -5.871 -9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.578 -6.499 -7.853 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.332 -2.369 -6.704 1.00 0.00 N ATOM 1073 CA ILE A 73 -0.985 -0.968 -6.501 1.00 0.00 C ATOM 1074 C ILE A 73 -0.744 -0.263 -7.831 1.00 0.00 C ATOM 1075 O ILE A 73 0.222 -0.557 -8.534 1.00 0.00 O ATOM 1076 CB ILE A 73 0.269 -0.821 -5.619 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.121 -1.650 -4.341 1.00 0.00 C ATOM 1078 CG2 ILE A 73 0.510 0.643 -5.282 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.372 -1.682 -3.493 1.00 0.00 C ATOM 0 H ILE A 73 -0.660 -2.893 -7.265 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.831 -0.503 -5.995 1.00 0.00 H new ATOM 0 HB ILE A 73 1.131 -1.193 -6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.700 -1.246 -3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.152 -2.670 -4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.400 0.731 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.655 1.209 -6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.351 1.039 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.194 -2.287 -2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.191 -2.114 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.635 -0.667 -3.194 1.00 0.00 H new ATOM 1091 N ASN A 74 -1.627 0.671 -8.169 1.00 0.00 N ATOM 1092 CA ASN A 74 -1.509 1.420 -9.414 1.00 0.00 C ATOM 1093 C ASN A 74 -1.968 0.578 -10.601 1.00 0.00 C ATOM 1094 O ASN A 74 -1.934 1.028 -11.745 1.00 0.00 O ATOM 1095 CB ASN A 74 -0.063 1.873 -9.626 1.00 0.00 C ATOM 1096 CG ASN A 74 0.684 2.054 -8.318 1.00 0.00 C ATOM 1097 OD1 ASN A 74 1.812 1.586 -8.165 1.00 0.00 O ATOM 1098 ND2 ASN A 74 0.055 2.737 -7.368 1.00 0.00 N ATOM 0 H ASN A 74 -2.432 0.927 -7.598 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.151 2.298 -9.343 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.458 1.139 -10.240 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.057 2.813 -10.178 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.507 2.892 -6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.880 3.107 -7.540 1.00 0.00 H new ATOM 1105 N GLY A 75 -2.399 -0.648 -10.319 1.00 0.00 N ATOM 1106 CA GLY A 75 -2.860 -1.533 -11.372 1.00 0.00 C ATOM 1107 C GLY A 75 -1.822 -2.571 -11.752 1.00 0.00 C ATOM 1108 O GLY A 75 -1.613 -2.847 -12.934 1.00 0.00 O ATOM 0 H GLY A 75 -2.437 -1.044 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.771 -2.036 -11.047 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.118 -0.943 -12.251 1.00 0.00 H new ATOM 1112 N THR A 76 -1.169 -3.148 -10.748 1.00 0.00 N ATOM 1113 CA THR A 76 -0.145 -4.159 -10.983 1.00 0.00 C ATOM 1114 C THR A 76 -0.141 -5.205 -9.875 1.00 0.00 C ATOM 1115 O THR A 76 -0.450 -4.919 -8.717 1.00 0.00 O ATOM 1116 CB THR A 76 1.256 -3.527 -11.083 1.00 0.00 C ATOM 1117 OG1 THR A 76 1.217 -2.174 -10.617 1.00 0.00 O ATOM 1118 CG2 THR A 76 1.765 -3.561 -12.516 1.00 0.00 C ATOM 0 H THR A 76 -1.331 -2.933 -9.764 1.00 0.00 H new ATOM 0 HA THR A 76 -0.387 -4.639 -11.931 1.00 0.00 H new ATOM 0 HB THR A 76 1.937 -4.106 -10.459 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.847 -2.151 -9.710 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.756 -3.109 -12.561 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.822 -4.595 -12.858 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.083 -3.004 -13.158 1.00 0.00 H new ATOM 1126 N PRO A 77 0.217 -6.447 -10.233 1.00 0.00 N ATOM 1127 CA PRO A 77 0.271 -7.561 -9.282 1.00 0.00 C ATOM 1128 C PRO A 77 1.413 -7.414 -8.282 1.00 0.00 C ATOM 1129 O PRO A 77 2.567 -7.221 -8.666 1.00 0.00 O ATOM 1130 CB PRO A 77 0.497 -8.781 -10.177 1.00 0.00 C ATOM 1131 CG PRO A 77 1.161 -8.239 -11.396 1.00 0.00 C ATOM 1132 CD PRO A 77 0.597 -6.859 -11.594 1.00 0.00 C ATOM 0 HA PRO A 77 -0.632 -7.623 -8.675 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.123 -9.524 -9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.445 -9.271 -10.424 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.243 -8.204 -11.269 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.962 -8.870 -12.262 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.333 -6.182 -12.028 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.262 -6.868 -12.265 1.00 0.00 H new ATOM 1140 N VAL A 78 1.084 -7.508 -6.997 1.00 0.00 N ATOM 1141 CA VAL A 78 2.083 -7.387 -5.942 1.00 0.00 C ATOM 1142 C VAL A 78 2.777 -8.720 -5.687 1.00 0.00 C ATOM 1143 O VAL A 78 3.742 -8.794 -4.926 1.00 0.00 O ATOM 1144 CB VAL A 78 1.454 -6.889 -4.628 1.00 0.00 C ATOM 1145 CG1 VAL A 78 0.711 -5.580 -4.853 1.00 0.00 C ATOM 1146 CG2 VAL A 78 0.525 -7.945 -4.048 1.00 0.00 C ATOM 0 H VAL A 78 0.134 -7.667 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 78 2.817 -6.658 -6.284 1.00 0.00 H new ATOM 0 HB VAL A 78 2.253 -6.707 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.273 -5.244 -3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.407 -4.825 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.080 -5.732 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.089 -7.576 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.270 -8.161 -4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.090 -8.856 -3.847 1.00 0.00 H new ATOM 1156 N ARG A 79 2.279 -9.773 -6.328 1.00 0.00 N ATOM 1157 CA ARG A 79 2.850 -11.105 -6.170 1.00 0.00 C ATOM 1158 C ARG A 79 4.032 -11.305 -7.114 1.00 0.00 C ATOM 1159 O ARG A 79 5.036 -11.918 -6.750 1.00 0.00 O ATOM 1160 CB ARG A 79 1.787 -12.173 -6.432 1.00 0.00 C ATOM 1161 CG ARG A 79 0.376 -11.618 -6.528 1.00 0.00 C ATOM 1162 CD ARG A 79 0.048 -11.169 -7.943 1.00 0.00 C ATOM 1163 NE ARG A 79 -1.156 -11.816 -8.457 1.00 0.00 N ATOM 1164 CZ ARG A 79 -1.171 -13.042 -8.968 1.00 0.00 C ATOM 1165 NH1 ARG A 79 -0.052 -13.750 -9.033 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -2.307 -13.562 -9.416 1.00 0.00 N ATOM 0 H ARG A 79 1.481 -9.729 -6.962 1.00 0.00 H new ATOM 0 HA ARG A 79 3.206 -11.201 -5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.028 -12.693 -7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.823 -12.913 -5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.338 -12.379 -6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.268 -10.776 -5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.087 -10.088 -7.958 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.889 -11.394 -8.599 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.034 -11.298 -8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.823 -13.353 -8.690 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.066 -14.691 -9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.170 -13.020 -9.368 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.317 -14.504 -9.808 1.00 0.00 H new ATOM 1180 N THR A 80 3.906 -10.783 -8.330 1.00 0.00 N ATOM 1181 CA THR A 80 4.962 -10.905 -9.328 1.00 0.00 C ATOM 1182 C THR A 80 5.893 -9.699 -9.293 1.00 0.00 C ATOM 1183 O THR A 80 7.102 -9.829 -9.492 1.00 0.00 O ATOM 1184 CB THR A 80 4.381 -11.050 -10.747 1.00 0.00 C ATOM 1185 OG1 THR A 80 4.305 -9.767 -11.378 1.00 0.00 O ATOM 1186 CG2 THR A 80 2.998 -11.682 -10.703 1.00 0.00 C ATOM 0 H THR A 80 3.083 -10.271 -8.648 1.00 0.00 H new ATOM 0 HA THR A 80 5.527 -11.804 -9.082 1.00 0.00 H new ATOM 0 HB THR A 80 5.041 -11.699 -11.322 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.936 -9.868 -12.280 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.608 -11.774 -11.717 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.064 -12.670 -10.248 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.330 -11.055 -10.113 1.00 0.00 H new ATOM 1194 N LEU A 81 5.325 -8.525 -9.039 1.00 0.00 N ATOM 1195 CA LEU A 81 6.105 -7.294 -8.978 1.00 0.00 C ATOM 1196 C LEU A 81 7.391 -7.504 -8.185 1.00 0.00 C ATOM 1197 O LEU A 81 7.503 -8.448 -7.403 1.00 0.00 O ATOM 1198 CB LEU A 81 5.278 -6.175 -8.343 1.00 0.00 C ATOM 1199 CG LEU A 81 4.618 -5.195 -9.313 1.00 0.00 C ATOM 1200 CD1 LEU A 81 3.921 -4.078 -8.552 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.647 -4.625 -10.278 1.00 0.00 C ATOM 0 H LEU A 81 4.327 -8.400 -8.872 1.00 0.00 H new ATOM 0 HA LEU A 81 6.370 -7.009 -9.996 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.499 -6.629 -7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.924 -5.610 -7.670 1.00 0.00 H new ATOM 0 HG LEU A 81 3.868 -5.735 -9.891 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.457 -3.390 -9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.155 -4.503 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.651 -3.539 -7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.159 -3.929 -10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.420 -4.100 -9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.100 -5.436 -10.848 1.00 0.00 H new ATOM 1213 N ARG A 82 8.359 -6.617 -8.392 1.00 0.00 N ATOM 1214 CA ARG A 82 9.637 -6.705 -7.697 1.00 0.00 C ATOM 1215 C ARG A 82 9.523 -6.155 -6.278 1.00 0.00 C ATOM 1216 O ARG A 82 8.560 -5.464 -5.944 1.00 0.00 O ATOM 1217 CB ARG A 82 10.715 -5.938 -8.467 1.00 0.00 C ATOM 1218 CG ARG A 82 11.126 -6.608 -9.768 1.00 0.00 C ATOM 1219 CD ARG A 82 12.491 -6.126 -10.234 1.00 0.00 C ATOM 1220 NE ARG A 82 13.541 -7.102 -9.953 1.00 0.00 N ATOM 1221 CZ ARG A 82 14.830 -6.882 -10.188 1.00 0.00 C ATOM 1222 NH1 ARG A 82 15.226 -5.727 -10.705 1.00 0.00 N ATOM 1223 NH2 ARG A 82 15.726 -7.819 -9.905 1.00 0.00 N ATOM 0 H ARG A 82 8.282 -5.829 -9.035 1.00 0.00 H new ATOM 0 HA ARG A 82 9.919 -7.756 -7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.350 -4.934 -8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.594 -5.827 -7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.148 -7.689 -9.631 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.383 -6.399 -10.537 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.459 -5.926 -11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.730 -5.184 -9.741 1.00 0.00 H new ATOM 0 HE ARG A 82 13.270 -8.001 -9.555 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.540 -5.004 -10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.216 -5.561 -10.884 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.425 -8.709 -9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.715 -7.650 -10.086 1.00 0.00 H new ATOM 1237 N VAL A 83 10.512 -6.467 -5.446 1.00 0.00 N ATOM 1238 CA VAL A 83 10.523 -6.004 -4.064 1.00 0.00 C ATOM 1239 C VAL A 83 10.588 -4.483 -3.994 1.00 0.00 C ATOM 1240 O VAL A 83 9.767 -3.847 -3.332 1.00 0.00 O ATOM 1241 CB VAL A 83 11.714 -6.594 -3.284 1.00 0.00 C ATOM 1242 CG1 VAL A 83 11.749 -6.044 -1.866 1.00 0.00 C ATOM 1243 CG2 VAL A 83 11.643 -8.114 -3.274 1.00 0.00 C ATOM 0 H VAL A 83 11.316 -7.039 -5.706 1.00 0.00 H new ATOM 0 HA VAL A 83 9.594 -6.346 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 83 12.636 -6.299 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.597 -6.472 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.851 -4.959 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.825 -6.306 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.492 -8.514 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.715 -8.432 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.671 -8.486 -4.298 1.00 0.00 H new ATOM 1253 N GLU A 84 11.568 -3.905 -4.682 1.00 0.00 N ATOM 1254 CA GLU A 84 11.739 -2.457 -4.697 1.00 0.00 C ATOM 1255 C GLU A 84 10.568 -1.778 -5.401 1.00 0.00 C ATOM 1256 O GLU A 84 10.305 -0.595 -5.189 1.00 0.00 O ATOM 1257 CB GLU A 84 13.051 -2.084 -5.390 1.00 0.00 C ATOM 1258 CG GLU A 84 13.136 -2.560 -6.830 1.00 0.00 C ATOM 1259 CD GLU A 84 14.224 -1.853 -7.615 1.00 0.00 C ATOM 1260 OE1 GLU A 84 13.990 -0.710 -8.058 1.00 0.00 O ATOM 1261 OE2 GLU A 84 15.311 -2.445 -7.786 1.00 0.00 O ATOM 0 H GLU A 84 12.255 -4.417 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 84 11.770 -2.110 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.169 -1.001 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.883 -2.507 -4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.323 -3.634 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.176 -2.398 -7.320 1.00 0.00 H new ATOM 1268 N GLU A 85 9.869 -2.537 -6.241 1.00 0.00 N ATOM 1269 CA GLU A 85 8.728 -2.008 -6.977 1.00 0.00 C ATOM 1270 C GLU A 85 7.541 -1.774 -6.047 1.00 0.00 C ATOM 1271 O GLU A 85 6.994 -0.673 -5.985 1.00 0.00 O ATOM 1272 CB GLU A 85 8.328 -2.967 -8.100 1.00 0.00 C ATOM 1273 CG GLU A 85 8.926 -2.607 -9.450 1.00 0.00 C ATOM 1274 CD GLU A 85 7.985 -1.775 -10.301 1.00 0.00 C ATOM 1275 OE1 GLU A 85 7.561 -0.697 -9.834 1.00 0.00 O ATOM 1276 OE2 GLU A 85 7.674 -2.201 -11.432 1.00 0.00 O ATOM 0 H GLU A 85 10.074 -3.519 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 85 9.021 -1.052 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.639 -3.977 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.241 -2.980 -8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.854 -2.057 -9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.182 -3.521 -9.985 1.00 0.00 H new ATOM 1283 N VAL A 86 7.147 -2.818 -5.326 1.00 0.00 N ATOM 1284 CA VAL A 86 6.026 -2.728 -4.398 1.00 0.00 C ATOM 1285 C VAL A 86 6.263 -1.642 -3.354 1.00 0.00 C ATOM 1286 O VAL A 86 5.318 -1.032 -2.854 1.00 0.00 O ATOM 1287 CB VAL A 86 5.781 -4.069 -3.681 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.399 -4.090 -3.045 1.00 0.00 C ATOM 1289 CG2 VAL A 86 5.948 -5.229 -4.651 1.00 0.00 C ATOM 0 H VAL A 86 7.588 -3.737 -5.367 1.00 0.00 H new ATOM 0 HA VAL A 86 5.146 -2.475 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 86 6.521 -4.178 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.244 -5.045 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.321 -3.281 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.641 -3.959 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.771 -6.169 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.232 -5.127 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.961 -5.223 -5.054 1.00 0.00 H new ATOM 1299 N GLU A 87 7.530 -1.407 -3.030 1.00 0.00 N ATOM 1300 CA GLU A 87 7.891 -0.394 -2.045 1.00 0.00 C ATOM 1301 C GLU A 87 7.909 0.996 -2.674 1.00 0.00 C ATOM 1302 O GLU A 87 7.238 1.912 -2.200 1.00 0.00 O ATOM 1303 CB GLU A 87 9.259 -0.708 -1.436 1.00 0.00 C ATOM 1304 CG GLU A 87 9.200 -1.692 -0.280 1.00 0.00 C ATOM 1305 CD GLU A 87 8.875 -1.022 1.041 1.00 0.00 C ATOM 1306 OE1 GLU A 87 8.939 0.224 1.105 1.00 0.00 O ATOM 1307 OE2 GLU A 87 8.558 -1.743 2.010 1.00 0.00 O ATOM 0 H GLU A 87 8.324 -1.904 -3.435 1.00 0.00 H new ATOM 0 HA GLU A 87 7.138 -0.407 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.909 -1.111 -2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.714 0.220 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.448 -2.452 -0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.157 -2.206 -0.196 1.00 0.00 H new ATOM 1314 N ASP A 88 8.681 1.144 -3.745 1.00 0.00 N ATOM 1315 CA ASP A 88 8.787 2.421 -4.441 1.00 0.00 C ATOM 1316 C ASP A 88 7.411 3.050 -4.635 1.00 0.00 C ATOM 1317 O ASP A 88 7.236 4.254 -4.450 1.00 0.00 O ATOM 1318 CB ASP A 88 9.470 2.232 -5.796 1.00 0.00 C ATOM 1319 CG ASP A 88 10.964 2.487 -5.732 1.00 0.00 C ATOM 1320 OD1 ASP A 88 11.436 2.980 -4.687 1.00 0.00 O ATOM 1321 OD2 ASP A 88 11.659 2.194 -6.727 1.00 0.00 O ATOM 0 H ASP A 88 9.243 0.395 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 88 9.390 3.091 -3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.292 1.217 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.020 2.907 -6.524 1.00 0.00 H new ATOM 1326 N ALA A 89 6.437 2.226 -5.009 1.00 0.00 N ATOM 1327 CA ALA A 89 5.076 2.701 -5.227 1.00 0.00 C ATOM 1328 C ALA A 89 4.540 3.417 -3.992 1.00 0.00 C ATOM 1329 O ALA A 89 3.862 4.438 -4.100 1.00 0.00 O ATOM 1330 CB ALA A 89 4.166 1.542 -5.604 1.00 0.00 C ATOM 0 H ALA A 89 6.565 1.227 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 89 5.095 3.416 -6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.153 1.912 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.531 1.076 -6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.161 0.807 -4.799 1.00 0.00 H new ATOM 1336 N ILE A 90 4.848 2.873 -2.819 1.00 0.00 N ATOM 1337 CA ILE A 90 4.396 3.460 -1.563 1.00 0.00 C ATOM 1338 C ILE A 90 5.063 4.809 -1.317 1.00 0.00 C ATOM 1339 O ILE A 90 4.422 5.757 -0.862 1.00 0.00 O ATOM 1340 CB ILE A 90 4.688 2.531 -0.370 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.269 1.096 -0.699 1.00 0.00 C ATOM 1342 CG2 ILE A 90 3.968 3.026 0.875 1.00 0.00 C ATOM 1343 CD1 ILE A 90 2.914 1.000 -1.364 1.00 0.00 C ATOM 0 H ILE A 90 5.408 2.027 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 90 3.318 3.599 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 90 5.760 2.541 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.018 0.648 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.256 0.510 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.184 2.359 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.310 4.032 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.894 3.042 0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.682 -0.045 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.154 1.418 -0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.928 1.558 -2.300 1.00 0.00 H new ATOM 1355 N LYS A 91 6.353 4.890 -1.621 1.00 0.00 N ATOM 1356 CA LYS A 91 7.108 6.124 -1.436 1.00 0.00 C ATOM 1357 C LYS A 91 7.024 7.005 -2.679 1.00 0.00 C ATOM 1358 O LYS A 91 7.502 8.139 -2.680 1.00 0.00 O ATOM 1359 CB LYS A 91 8.572 5.808 -1.121 1.00 0.00 C ATOM 1360 CG LYS A 91 9.205 4.826 -2.091 1.00 0.00 C ATOM 1361 CD LYS A 91 10.722 4.860 -2.008 1.00 0.00 C ATOM 1362 CE LYS A 91 11.274 3.597 -1.364 1.00 0.00 C ATOM 1363 NZ LYS A 91 12.502 3.872 -0.569 1.00 0.00 N ATOM 0 H LYS A 91 6.899 4.115 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 91 6.670 6.666 -0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.145 6.735 -1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.638 5.402 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.850 3.819 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.890 5.063 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.140 4.972 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.036 5.730 -1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.514 3.157 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.499 2.863 -2.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.847 2.987 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.236 4.269 -1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.282 4.553 0.186 1.00 0.00 H new ATOM 1377 N GLN A 92 6.412 6.476 -3.733 1.00 0.00 N ATOM 1378 CA GLN A 92 6.264 7.216 -4.981 1.00 0.00 C ATOM 1379 C GLN A 92 5.355 8.425 -4.793 1.00 0.00 C ATOM 1380 O GLN A 92 4.176 8.391 -5.147 1.00 0.00 O ATOM 1381 CB GLN A 92 5.702 6.306 -6.075 1.00 0.00 C ATOM 1382 CG GLN A 92 6.771 5.692 -6.965 1.00 0.00 C ATOM 1383 CD GLN A 92 6.444 5.817 -8.440 1.00 0.00 C ATOM 1384 OE1 GLN A 92 5.436 5.289 -8.911 1.00 0.00 O ATOM 1385 NE2 GLN A 92 7.297 6.517 -9.179 1.00 0.00 N ATOM 0 H GLN A 92 6.011 5.538 -3.748 1.00 0.00 H new ATOM 0 HA GLN A 92 7.250 7.569 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.125 5.507 -5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.011 6.879 -6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.727 6.177 -6.766 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.889 4.639 -6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.120 6.938 -8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.129 6.634 -10.178 1.00 0.00 H new ATOM 1394 N THR A 93 5.910 9.495 -4.232 1.00 0.00 N ATOM 1395 CA THR A 93 5.149 10.715 -3.995 1.00 0.00 C ATOM 1396 C THR A 93 5.301 11.692 -5.155 1.00 0.00 C ATOM 1397 O THR A 93 5.611 12.866 -4.955 1.00 0.00 O ATOM 1398 CB THR A 93 5.593 11.410 -2.693 1.00 0.00 C ATOM 1399 OG1 THR A 93 7.022 11.492 -2.644 1.00 0.00 O ATOM 1400 CG2 THR A 93 5.081 10.655 -1.476 1.00 0.00 C ATOM 0 H THR A 93 6.884 9.541 -3.933 1.00 0.00 H new ATOM 0 HA THR A 93 4.103 10.422 -3.904 1.00 0.00 H new ATOM 0 HB THR A 93 5.172 12.415 -2.681 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.296 11.936 -1.815 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.407 11.164 -0.569 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.992 10.620 -1.501 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.477 9.640 -1.485 1.00 0.00 H new ATOM 1408 N SER A 94 5.078 11.200 -6.370 1.00 0.00 N ATOM 1409 CA SER A 94 5.193 12.029 -7.564 1.00 0.00 C ATOM 1410 C SER A 94 3.861 12.102 -8.304 1.00 0.00 C ATOM 1411 O SER A 94 3.400 13.184 -8.667 1.00 0.00 O ATOM 1412 CB SER A 94 6.276 11.476 -8.492 1.00 0.00 C ATOM 1413 OG SER A 94 6.893 10.330 -7.931 1.00 0.00 O ATOM 0 H SER A 94 4.817 10.231 -6.553 1.00 0.00 H new ATOM 0 HA SER A 94 5.471 13.036 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.837 11.221 -9.457 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.027 12.244 -8.677 1.00 0.00 H new ATOM 0 HG SER A 94 7.580 9.995 -8.544 1.00 0.00 H new ATOM 1419 N GLN A 95 3.250 10.943 -8.525 1.00 0.00 N ATOM 1420 CA GLN A 95 1.971 10.875 -9.223 1.00 0.00 C ATOM 1421 C GLN A 95 0.878 10.337 -8.305 1.00 0.00 C ATOM 1422 O GLN A 95 1.122 10.047 -7.134 1.00 0.00 O ATOM 1423 CB GLN A 95 2.091 9.991 -10.465 1.00 0.00 C ATOM 1424 CG GLN A 95 3.366 9.163 -10.503 1.00 0.00 C ATOM 1425 CD GLN A 95 3.557 8.446 -11.825 1.00 0.00 C ATOM 1426 OE1 GLN A 95 3.347 7.237 -11.925 1.00 0.00 O ATOM 1427 NE2 GLN A 95 3.959 9.190 -12.849 1.00 0.00 N ATOM 0 H GLN A 95 3.619 10.039 -8.231 1.00 0.00 H new ATOM 0 HA GLN A 95 1.698 11.885 -9.529 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.232 9.322 -10.509 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.050 10.620 -11.354 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.222 9.812 -10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.343 8.430 -9.697 1.00 0.00 H new ATOM 0 HE21 GLN A 95 4.121 10.189 -12.721 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.106 8.763 -13.763 1.00 0.00 H new ATOM 1436 N THR A 96 -0.330 10.208 -8.845 1.00 0.00 N ATOM 1437 CA THR A 96 -1.462 9.707 -8.075 1.00 0.00 C ATOM 1438 C THR A 96 -1.213 8.281 -7.596 1.00 0.00 C ATOM 1439 O THR A 96 -1.008 7.372 -8.402 1.00 0.00 O ATOM 1440 CB THR A 96 -2.762 9.740 -8.900 1.00 0.00 C ATOM 1441 OG1 THR A 96 -2.486 10.190 -10.231 1.00 0.00 O ATOM 1442 CG2 THR A 96 -3.791 10.654 -8.253 1.00 0.00 C ATOM 0 H THR A 96 -0.550 10.444 -9.813 1.00 0.00 H new ATOM 0 HA THR A 96 -1.572 10.363 -7.212 1.00 0.00 H new ATOM 0 HB THR A 96 -3.169 8.730 -8.936 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.271 11.146 -10.215 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.700 10.661 -8.854 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.021 10.291 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.390 11.666 -8.190 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.233 8.092 -6.282 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.010 6.774 -5.695 1.00 0.00 C ATOM 1452 C LEU A 97 -2.329 6.031 -5.511 1.00 0.00 C ATOM 1453 O LEU A 97 -3.220 6.496 -4.801 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.294 6.908 -4.350 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.228 5.641 -3.496 1.00 0.00 C ATOM 1456 CD1 LEU A 97 0.023 4.421 -4.369 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.854 5.770 -2.433 1.00 0.00 C ATOM 0 H LEU A 97 -1.401 8.834 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.383 6.200 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.724 7.251 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.792 7.686 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.188 5.513 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.067 3.529 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.786 4.318 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.969 4.540 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.887 4.859 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.820 5.923 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.631 6.620 -1.788 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.444 4.873 -6.153 1.00 0.00 N ATOM 1470 CA GLN A 98 -3.653 4.064 -6.058 1.00 0.00 C ATOM 1471 C GLN A 98 -3.382 2.764 -5.307 1.00 0.00 C ATOM 1472 O GLN A 98 -2.293 2.196 -5.402 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.198 3.756 -7.454 1.00 0.00 C ATOM 1474 CG GLN A 98 -5.666 4.110 -7.626 1.00 0.00 C ATOM 1475 CD GLN A 98 -6.397 3.141 -8.533 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -6.115 1.942 -8.537 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -7.344 3.655 -9.309 1.00 0.00 N ATOM 0 H GLN A 98 -1.715 4.474 -6.744 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.398 4.634 -5.503 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.612 4.303 -8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.062 2.695 -7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.150 4.123 -6.649 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.748 5.117 -8.035 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.545 4.654 -9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.870 3.051 -9.940 1.00 0.00 H new ATOM 1486 N LEU A 99 -4.377 2.299 -4.560 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.246 1.066 -3.792 1.00 0.00 C ATOM 1488 C LEU A 99 -5.552 0.278 -3.800 1.00 0.00 C ATOM 1489 O LEU A 99 -6.635 0.849 -3.669 1.00 0.00 O ATOM 1490 CB LEU A 99 -3.835 1.380 -2.352 1.00 0.00 C ATOM 1491 CG LEU A 99 -2.700 2.390 -2.183 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -2.882 3.188 -0.902 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.352 1.683 -2.186 1.00 0.00 C ATOM 0 H LEU A 99 -5.284 2.757 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.473 0.456 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.709 1.754 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.541 0.449 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.727 3.082 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.065 3.902 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.830 3.725 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.882 2.510 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.556 2.417 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.314 0.968 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.219 1.157 -3.131 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.442 -1.037 -3.952 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.614 -1.906 -3.975 1.00 0.00 C ATOM 1507 C LEU A 100 -6.686 -2.756 -2.711 1.00 0.00 C ATOM 1508 O LEU A 100 -5.779 -3.539 -2.425 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.581 -2.808 -5.209 1.00 0.00 C ATOM 1510 CG LEU A 100 -7.918 -3.415 -5.633 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -8.878 -2.327 -6.088 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -7.712 -4.442 -6.737 1.00 0.00 C ATOM 0 H LEU A 100 -4.553 -1.525 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.502 -1.276 -4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.185 -2.231 -6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.879 -3.621 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.355 -3.920 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.824 -2.778 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.051 -1.629 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.448 -1.793 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.675 -4.864 -7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.253 -3.961 -7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.061 -5.238 -6.376 1.00 0.00 H new ATOM 1524 N ILE A 101 -7.769 -2.598 -1.958 1.00 0.00 N ATOM 1525 CA ILE A 101 -7.961 -3.354 -0.727 1.00 0.00 C ATOM 1526 C ILE A 101 -9.018 -4.438 -0.906 1.00 0.00 C ATOM 1527 O ILE A 101 -9.861 -4.355 -1.798 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.375 -2.436 0.438 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -7.672 -1.082 0.325 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -8.055 -3.095 1.772 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -6.208 -1.190 -0.037 1.00 0.00 C ATOM 0 H ILE A 101 -8.527 -1.953 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.004 -3.819 -0.490 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.451 -2.271 0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.181 -0.479 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.765 -0.553 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.353 -2.434 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.598 -4.037 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.984 -3.287 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.774 -0.192 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -5.686 -1.765 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.107 -1.691 -1.000 1.00 0.00 H new ATOM 1543 N GLU A 102 -8.966 -5.454 -0.050 1.00 0.00 N ATOM 1544 CA GLU A 102 -9.921 -6.555 -0.114 1.00 0.00 C ATOM 1545 C GLU A 102 -10.568 -6.793 1.247 1.00 0.00 C ATOM 1546 O GLU A 102 -9.882 -7.039 2.239 1.00 0.00 O ATOM 1547 CB GLU A 102 -9.228 -7.833 -0.592 1.00 0.00 C ATOM 1548 CG GLU A 102 -9.610 -9.067 0.207 1.00 0.00 C ATOM 1549 CD GLU A 102 -9.055 -10.345 -0.393 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -8.672 -10.324 -1.581 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -9.005 -11.365 0.326 1.00 0.00 O ATOM 0 H GLU A 102 -8.274 -5.538 0.695 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.701 -6.285 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -9.474 -7.999 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.148 -7.694 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.245 -8.961 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.696 -9.138 0.262 1.00 0.00 H new ATOM 1558 N HIS A 103 -11.895 -6.717 1.286 1.00 0.00 N ATOM 1559 CA HIS A 103 -12.636 -6.925 2.525 1.00 0.00 C ATOM 1560 C HIS A 103 -12.704 -8.408 2.876 1.00 0.00 C ATOM 1561 O HIS A 103 -12.742 -9.264 1.992 1.00 0.00 O ATOM 1562 CB HIS A 103 -14.049 -6.354 2.400 1.00 0.00 C ATOM 1563 CG HIS A 103 -14.574 -5.771 3.676 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -15.798 -6.113 4.213 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -14.034 -4.864 4.524 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -15.988 -5.441 5.334 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -14.932 -4.676 5.546 1.00 0.00 N ATOM 0 H HIS A 103 -12.478 -6.513 0.475 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.110 -6.404 3.325 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -14.054 -5.584 1.629 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -14.723 -7.143 2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -13.075 -4.379 4.417 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.859 -5.506 5.969 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -14.804 -4.048 6.340 1.00 0.00 H new