USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 665 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 Single : A 21 MET CE :methyl -108:sc= -0.993 (180deg=-4.31!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0968 X(o=-0.097,f=-0.19) USER MOD Single : A 32 ASN : amide:sc= -0.0762 K(o=-0.076,f=-1.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc=-0.00695 K(o=-0.0069,f=-0.98) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0303) USER MOD Single : A 41 MET CE :methyl 149:sc= -0.0158 (180deg=-0.662) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -115:sc= 1.21 USER MOD Single : A 57 CYS SG : rot 59:sc= -1.07 USER MOD Single : A 62 ASN : amide:sc= -0.0657 X(o=-0.066,f=-0.082) USER MOD Single : A 66 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 71 ASN : amide:sc= -6.09! C(o=-6.1!,f=-7.6!) USER MOD Single : A 78 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.59) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.92! C(o=-1.9!,f=-3.1!) USER MOD Single : A 82 GLN : amide:sc= -0.668 K(o=-0.67,f=-2.3) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 158:sc= -0.711 (180deg=-1.79!) USER MOD ----------------------------------------------------------------- ATOM 171 N LEU A 16 4.104 -8.425 -15.167 1.00 0.00 N ATOM 172 CA LEU A 16 3.704 -8.051 -13.815 1.00 0.00 C ATOM 173 C LEU A 16 2.185 -8.052 -13.677 1.00 0.00 C ATOM 174 O LEU A 16 1.461 -7.892 -14.661 1.00 0.00 O ATOM 175 CB LEU A 16 4.259 -6.671 -13.460 1.00 0.00 C ATOM 176 CG LEU A 16 5.690 -6.641 -12.923 1.00 0.00 C ATOM 177 CD1 LEU A 16 5.798 -7.458 -11.645 1.00 0.00 C ATOM 178 CD2 LEU A 16 6.664 -7.157 -13.972 1.00 0.00 C ATOM 0 HA LEU A 16 4.114 -8.788 -13.125 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.213 -6.043 -14.350 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.604 -6.218 -12.716 1.00 0.00 H new ATOM 0 HG LEU A 16 5.949 -5.608 -12.692 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.824 -7.425 -11.278 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.129 -7.044 -10.891 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.519 -8.492 -11.849 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.678 -7.128 -13.573 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.406 -8.183 -14.235 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.607 -6.530 -14.861 1.00 0.00 H new ATOM 190 N VAL A 17 1.707 -8.231 -12.450 1.00 0.00 N ATOM 191 CA VAL A 17 0.274 -8.249 -12.182 1.00 0.00 C ATOM 192 C VAL A 17 -0.227 -6.867 -11.775 1.00 0.00 C ATOM 193 O VAL A 17 0.233 -6.294 -10.787 1.00 0.00 O ATOM 194 CB VAL A 17 -0.077 -9.257 -11.072 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.555 -9.170 -10.719 1.00 0.00 C ATOM 196 CG2 VAL A 17 0.295 -10.669 -11.498 1.00 0.00 C ATOM 0 H VAL A 17 2.292 -8.366 -11.625 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.217 -8.553 -13.107 1.00 0.00 H new ATOM 0 HB VAL A 17 0.500 -9.006 -10.182 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.784 -9.890 -9.933 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.787 -8.164 -10.369 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.154 -9.394 -11.602 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.040 -11.368 -10.702 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.254 -10.933 -12.402 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.366 -10.719 -11.696 1.00 0.00 H new ATOM 206 N LEU A 18 -1.172 -6.337 -12.544 1.00 0.00 N ATOM 207 CA LEU A 18 -1.736 -5.021 -12.263 1.00 0.00 C ATOM 208 C LEU A 18 -3.051 -5.144 -11.500 1.00 0.00 C ATOM 209 O LEU A 18 -3.920 -5.938 -11.865 1.00 0.00 O ATOM 210 CB LEU A 18 -1.960 -4.252 -13.567 1.00 0.00 C ATOM 211 CG LEU A 18 -2.367 -2.786 -13.420 1.00 0.00 C ATOM 212 CD1 LEU A 18 -1.180 -1.944 -12.978 1.00 0.00 C ATOM 213 CD2 LEU A 18 -2.941 -2.258 -14.726 1.00 0.00 C ATOM 0 H LEU A 18 -1.563 -6.797 -13.366 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.027 -4.474 -11.642 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.042 -4.296 -14.154 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.731 -4.766 -14.141 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.139 -2.719 -12.654 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.489 -0.903 -12.879 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.814 -2.307 -12.018 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.385 -2.017 -13.720 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.225 -1.213 -14.602 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.191 -2.339 -15.512 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.819 -2.843 -15.000 1.00 0.00 H new ATOM 225 N ILE A 19 -3.191 -4.353 -10.442 1.00 0.00 N ATOM 226 CA ILE A 19 -4.402 -4.372 -9.630 1.00 0.00 C ATOM 227 C ILE A 19 -5.272 -3.152 -9.913 1.00 0.00 C ATOM 228 O ILE A 19 -4.970 -2.044 -9.470 1.00 0.00 O ATOM 229 CB ILE A 19 -4.071 -4.414 -8.127 1.00 0.00 C ATOM 230 CG1 ILE A 19 -3.158 -5.602 -7.816 1.00 0.00 C ATOM 231 CG2 ILE A 19 -5.349 -4.492 -7.305 1.00 0.00 C ATOM 232 CD1 ILE A 19 -3.850 -6.942 -7.932 1.00 0.00 C ATOM 0 H ILE A 19 -2.482 -3.691 -10.127 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.948 -5.276 -9.899 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.546 -3.497 -7.860 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.306 -5.582 -8.495 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.763 -5.492 -6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.098 -4.521 -6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.966 -3.617 -7.508 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.899 -5.394 -7.573 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.143 -7.738 -7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.686 -6.982 -7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.221 -7.073 -8.949 1.00 0.00 H new ATOM 244 N ARG A 20 -6.356 -3.364 -10.654 1.00 0.00 N ATOM 245 CA ARG A 20 -7.271 -2.282 -10.996 1.00 0.00 C ATOM 246 C ARG A 20 -8.491 -2.292 -10.079 1.00 0.00 C ATOM 247 O ARG A 20 -9.265 -3.249 -10.069 1.00 0.00 O ATOM 248 CB ARG A 20 -7.715 -2.404 -12.455 1.00 0.00 C ATOM 249 CG ARG A 20 -6.574 -2.281 -13.451 1.00 0.00 C ATOM 250 CD ARG A 20 -7.086 -2.240 -14.882 1.00 0.00 C ATOM 251 NE ARG A 20 -7.396 -3.574 -15.391 1.00 0.00 N ATOM 252 CZ ARG A 20 -8.256 -3.802 -16.377 1.00 0.00 C ATOM 253 NH1 ARG A 20 -8.889 -2.792 -16.957 1.00 0.00 N ATOM 254 NH2 ARG A 20 -8.486 -5.044 -16.784 1.00 0.00 N ATOM 0 H ARG A 20 -6.621 -4.275 -11.028 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.744 -1.337 -10.861 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.208 -3.366 -12.597 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.455 -1.632 -12.666 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.003 -1.377 -13.242 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.893 -3.123 -13.331 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.979 -1.617 -14.930 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.337 -1.773 -15.522 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.926 -4.374 -14.966 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.716 -1.836 -16.646 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.549 -2.971 -17.714 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.002 -5.824 -16.339 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.147 -5.218 -17.541 1.00 0.00 H new ATOM 268 N MET A 21 -8.655 -1.221 -9.310 1.00 0.00 N ATOM 269 CA MET A 21 -9.781 -1.106 -8.390 1.00 0.00 C ATOM 270 C MET A 21 -10.226 0.347 -8.254 1.00 0.00 C ATOM 271 O MET A 21 -9.596 1.254 -8.799 1.00 0.00 O ATOM 272 CB MET A 21 -9.405 -1.667 -7.017 1.00 0.00 C ATOM 273 CG MET A 21 -8.297 -0.889 -6.326 1.00 0.00 C ATOM 274 SD MET A 21 -7.909 -1.539 -4.689 1.00 0.00 S ATOM 275 CE MET A 21 -6.323 -2.311 -4.998 1.00 0.00 C ATOM 0 H MET A 21 -8.023 -0.420 -9.305 1.00 0.00 H new ATOM 0 HA MET A 21 -10.610 -1.685 -8.796 1.00 0.00 H new ATOM 0 HB2 MET A 21 -10.289 -1.668 -6.379 1.00 0.00 H new ATOM 0 HB3 MET A 21 -9.093 -2.705 -7.131 1.00 0.00 H new ATOM 0 HG2 MET A 21 -7.400 -0.914 -6.945 1.00 0.00 H new ATOM 0 HG3 MET A 21 -8.593 0.156 -6.237 1.00 0.00 H new ATOM 0 HE1 MET A 21 -6.437 -3.395 -4.982 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.951 -1.999 -5.974 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.615 -2.009 -4.226 1.00 0.00 H new ATOM 285 N LYS A 22 -11.316 0.561 -7.525 1.00 0.00 N ATOM 286 CA LYS A 22 -11.845 1.904 -7.316 1.00 0.00 C ATOM 287 C LYS A 22 -12.056 2.181 -5.831 1.00 0.00 C ATOM 288 O LYS A 22 -12.315 1.276 -5.037 1.00 0.00 O ATOM 289 CB LYS A 22 -13.166 2.076 -8.070 1.00 0.00 C ATOM 290 CG LYS A 22 -14.292 1.212 -7.529 1.00 0.00 C ATOM 291 CD LYS A 22 -15.654 1.760 -7.924 1.00 0.00 C ATOM 292 CE LYS A 22 -16.742 1.287 -6.972 1.00 0.00 C ATOM 293 NZ LYS A 22 -16.801 2.120 -5.739 1.00 0.00 N ATOM 0 H LYS A 22 -11.850 -0.178 -7.069 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.117 2.618 -7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.468 3.122 -8.023 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.008 1.836 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.185 0.195 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.221 1.159 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.622 2.850 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.894 1.444 -8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.707 1.319 -7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.559 0.248 -6.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.555 1.766 -5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.889 2.069 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.001 3.108 -5.997 1.00 0.00 H new ATOM 307 N PRO A 23 -11.944 3.460 -5.445 1.00 0.00 N ATOM 308 CA PRO A 23 -12.120 3.886 -4.054 1.00 0.00 C ATOM 309 C PRO A 23 -13.568 3.771 -3.591 1.00 0.00 C ATOM 310 O PRO A 23 -14.488 4.197 -4.290 1.00 0.00 O ATOM 311 CB PRO A 23 -11.679 5.352 -4.072 1.00 0.00 C ATOM 312 CG PRO A 23 -11.898 5.795 -5.477 1.00 0.00 C ATOM 313 CD PRO A 23 -11.636 4.590 -6.338 1.00 0.00 C ATOM 0 HA PRO A 23 -11.551 3.264 -3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.263 5.950 -3.373 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.633 5.455 -3.783 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.915 6.160 -5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.227 6.614 -5.737 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.269 4.585 -7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.603 4.560 -6.683 1.00 0.00 H new ATOM 321 N ASP A 24 -13.764 3.195 -2.411 1.00 0.00 N ATOM 322 CA ASP A 24 -15.101 3.026 -1.855 1.00 0.00 C ATOM 323 C ASP A 24 -15.880 4.337 -1.904 1.00 0.00 C ATOM 324 O ASP A 24 -15.366 5.358 -2.360 1.00 0.00 O ATOM 325 CB ASP A 24 -15.017 2.522 -0.413 1.00 0.00 C ATOM 326 CG ASP A 24 -16.288 1.825 0.032 1.00 0.00 C ATOM 327 OD1 ASP A 24 -16.827 1.017 -0.753 1.00 0.00 O ATOM 328 OD2 ASP A 24 -16.745 2.089 1.164 1.00 0.00 O ATOM 0 H ASP A 24 -13.014 2.837 -1.820 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.628 2.288 -2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.177 1.834 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.815 3.362 0.251 1.00 0.00 H new ATOM 333 N GLU A 25 -17.123 4.299 -1.433 1.00 0.00 N ATOM 334 CA GLU A 25 -17.972 5.484 -1.426 1.00 0.00 C ATOM 335 C GLU A 25 -17.274 6.650 -0.730 1.00 0.00 C ATOM 336 O GLU A 25 -17.098 7.719 -1.312 1.00 0.00 O ATOM 337 CB GLU A 25 -19.301 5.182 -0.730 1.00 0.00 C ATOM 338 CG GLU A 25 -20.432 6.106 -1.151 1.00 0.00 C ATOM 339 CD GLU A 25 -21.790 5.611 -0.692 1.00 0.00 C ATOM 340 OE1 GLU A 25 -22.082 5.713 0.517 1.00 0.00 O ATOM 341 OE2 GLU A 25 -22.561 5.122 -1.545 1.00 0.00 O ATOM 0 H GLU A 25 -17.563 3.462 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.167 5.766 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.587 4.152 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -19.163 5.259 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -20.255 7.101 -0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.432 6.203 -2.237 1.00 0.00 H new ATOM 348 N ASN A 26 -16.881 6.434 0.521 1.00 0.00 N ATOM 349 CA ASN A 26 -16.203 7.466 1.298 1.00 0.00 C ATOM 350 C ASN A 26 -14.795 7.712 0.765 1.00 0.00 C ATOM 351 O ASN A 26 -14.202 8.762 1.008 1.00 0.00 O ATOM 352 CB ASN A 26 -16.140 7.064 2.773 1.00 0.00 C ATOM 353 CG ASN A 26 -17.434 6.442 3.259 1.00 0.00 C ATOM 354 OD1 ASN A 26 -18.524 6.902 2.917 1.00 0.00 O ATOM 355 ND2 ASN A 26 -17.321 5.391 4.062 1.00 0.00 N ATOM 0 H ASN A 26 -17.020 5.554 1.018 1.00 0.00 H new ATOM 0 HA ASN A 26 -16.774 8.390 1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.323 6.357 2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.913 7.943 3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.158 4.931 4.421 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.397 5.043 4.320 1.00 0.00 H new ATOM 362 N GLY A 27 -14.265 6.734 0.036 1.00 0.00 N ATOM 363 CA GLY A 27 -12.931 6.864 -0.521 1.00 0.00 C ATOM 364 C GLY A 27 -11.897 6.079 0.262 1.00 0.00 C ATOM 365 O GLY A 27 -10.805 6.577 0.533 1.00 0.00 O ATOM 0 H GLY A 27 -14.735 5.855 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.937 6.520 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.648 7.917 -0.537 1.00 0.00 H new ATOM 369 N ARG A 28 -12.243 4.849 0.628 1.00 0.00 N ATOM 370 CA ARG A 28 -11.338 3.995 1.388 1.00 0.00 C ATOM 371 C ARG A 28 -11.146 2.651 0.691 1.00 0.00 C ATOM 372 O ARG A 28 -11.994 2.218 -0.090 1.00 0.00 O ATOM 373 CB ARG A 28 -11.877 3.776 2.803 1.00 0.00 C ATOM 374 CG ARG A 28 -11.954 5.049 3.629 1.00 0.00 C ATOM 375 CD ARG A 28 -12.620 4.801 4.974 1.00 0.00 C ATOM 376 NE ARG A 28 -11.669 4.329 5.976 1.00 0.00 N ATOM 377 CZ ARG A 28 -12.008 4.021 7.223 1.00 0.00 C ATOM 378 NH1 ARG A 28 -13.268 4.135 7.619 1.00 0.00 N ATOM 379 NH2 ARG A 28 -11.085 3.598 8.078 1.00 0.00 N ATOM 0 H ARG A 28 -13.143 4.422 0.411 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.371 4.495 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.871 3.333 2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.240 3.057 3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.950 5.443 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.512 5.807 3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.087 5.722 5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.416 4.066 4.855 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.691 4.230 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.981 4.460 6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.525 3.898 8.577 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.114 3.509 7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.347 3.362 9.035 1.00 0.00 H new ATOM 393 N PHE A 29 -10.027 1.995 0.980 1.00 0.00 N ATOM 394 CA PHE A 29 -9.722 0.701 0.380 1.00 0.00 C ATOM 395 C PHE A 29 -9.738 -0.403 1.433 1.00 0.00 C ATOM 396 O PHE A 29 -9.970 -0.147 2.614 1.00 0.00 O ATOM 397 CB PHE A 29 -8.358 0.744 -0.310 1.00 0.00 C ATOM 398 CG PHE A 29 -8.272 1.766 -1.407 1.00 0.00 C ATOM 399 CD1 PHE A 29 -8.615 1.436 -2.708 1.00 0.00 C ATOM 400 CD2 PHE A 29 -7.849 3.058 -1.136 1.00 0.00 C ATOM 401 CE1 PHE A 29 -8.537 2.375 -3.720 1.00 0.00 C ATOM 402 CE2 PHE A 29 -7.770 4.001 -2.144 1.00 0.00 C ATOM 403 CZ PHE A 29 -8.114 3.659 -3.437 1.00 0.00 C ATOM 0 H PHE A 29 -9.316 2.338 1.626 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.490 0.482 -0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.590 0.956 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.138 -0.240 -0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.947 0.434 -2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.578 3.331 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.806 2.105 -4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.439 5.005 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.052 4.394 -4.226 1.00 0.00 H new ATOM 413 N GLY A 30 -9.490 -1.634 0.995 1.00 0.00 N ATOM 414 CA GLY A 30 -9.481 -2.759 1.911 1.00 0.00 C ATOM 415 C GLY A 30 -8.257 -3.637 1.739 1.00 0.00 C ATOM 416 O GLY A 30 -8.368 -4.799 1.345 1.00 0.00 O ATOM 0 H GLY A 30 -9.295 -1.872 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.518 -2.389 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.379 -3.358 1.755 1.00 0.00 H new ATOM 420 N PHE A 31 -7.086 -3.082 2.032 1.00 0.00 N ATOM 421 CA PHE A 31 -5.836 -3.821 1.904 1.00 0.00 C ATOM 422 C PHE A 31 -4.703 -3.103 2.632 1.00 0.00 C ATOM 423 O PHE A 31 -4.473 -1.913 2.422 1.00 0.00 O ATOM 424 CB PHE A 31 -5.475 -4.004 0.429 1.00 0.00 C ATOM 425 CG PHE A 31 -4.856 -2.785 -0.193 1.00 0.00 C ATOM 426 CD1 PHE A 31 -3.513 -2.500 -0.002 1.00 0.00 C ATOM 427 CD2 PHE A 31 -5.617 -1.923 -0.966 1.00 0.00 C ATOM 428 CE1 PHE A 31 -2.940 -1.379 -0.573 1.00 0.00 C ATOM 429 CE2 PHE A 31 -5.049 -0.801 -1.540 1.00 0.00 C ATOM 430 CZ PHE A 31 -3.710 -0.528 -1.342 1.00 0.00 C ATOM 0 H PHE A 31 -6.977 -2.122 2.360 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.974 -4.801 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.784 -4.841 0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.375 -4.268 -0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.907 -3.161 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.665 -2.130 -1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.892 -1.169 -0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.652 -0.138 -2.143 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.265 0.350 -1.788 1.00 0.00 H new ATOM 440 N ASN A 32 -3.998 -3.836 3.487 1.00 0.00 N ATOM 441 CA ASN A 32 -2.890 -3.270 4.247 1.00 0.00 C ATOM 442 C ASN A 32 -1.550 -3.726 3.677 1.00 0.00 C ATOM 443 O ASN A 32 -1.486 -4.678 2.898 1.00 0.00 O ATOM 444 CB ASN A 32 -2.994 -3.674 5.719 1.00 0.00 C ATOM 445 CG ASN A 32 -3.974 -2.809 6.488 1.00 0.00 C ATOM 446 OD1 ASN A 32 -4.532 -1.854 5.948 1.00 0.00 O ATOM 447 ND2 ASN A 32 -4.186 -3.140 7.757 1.00 0.00 N ATOM 0 H ASN A 32 -4.174 -4.824 3.671 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.947 -2.184 4.170 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.304 -4.717 5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.010 -3.604 6.183 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.834 -2.594 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.701 -3.940 8.163 1.00 0.00 H new ATOM 454 N VAL A 33 -0.481 -3.040 4.070 1.00 0.00 N ATOM 455 CA VAL A 33 0.857 -3.375 3.599 1.00 0.00 C ATOM 456 C VAL A 33 1.855 -3.397 4.752 1.00 0.00 C ATOM 457 O VAL A 33 1.591 -2.857 5.827 1.00 0.00 O ATOM 458 CB VAL A 33 1.343 -2.377 2.532 1.00 0.00 C ATOM 459 CG1 VAL A 33 0.532 -2.524 1.254 1.00 0.00 C ATOM 460 CG2 VAL A 33 1.267 -0.953 3.061 1.00 0.00 C ATOM 0 H VAL A 33 -0.516 -2.249 4.713 1.00 0.00 H new ATOM 0 HA VAL A 33 0.797 -4.369 3.155 1.00 0.00 H new ATOM 0 HB VAL A 33 2.385 -2.599 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.890 -1.811 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.643 -3.537 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.519 -2.330 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.614 -0.261 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.236 -0.717 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.897 -0.859 3.946 1.00 0.00 H new ATOM 470 N LYS A 34 3.004 -4.023 4.521 1.00 0.00 N ATOM 471 CA LYS A 34 4.045 -4.114 5.538 1.00 0.00 C ATOM 472 C LYS A 34 5.423 -4.237 4.897 1.00 0.00 C ATOM 473 O LYS A 34 5.602 -4.965 3.922 1.00 0.00 O ATOM 474 CB LYS A 34 3.788 -5.313 6.454 1.00 0.00 C ATOM 475 CG LYS A 34 4.015 -6.654 5.778 1.00 0.00 C ATOM 476 CD LYS A 34 3.472 -7.799 6.616 1.00 0.00 C ATOM 477 CE LYS A 34 3.603 -9.130 5.892 1.00 0.00 C ATOM 478 NZ LYS A 34 5.004 -9.634 5.907 1.00 0.00 N ATOM 0 H LYS A 34 3.238 -4.475 3.637 1.00 0.00 H new ATOM 0 HA LYS A 34 4.020 -3.199 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.439 -5.240 7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.762 -5.268 6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.532 -6.656 4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.081 -6.801 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.009 -7.845 7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.424 -7.614 6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.948 -9.864 6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.269 -9.017 4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.051 -10.543 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.626 -8.945 5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.315 -9.766 6.891 1.00 0.00 H new ATOM 492 N GLY A 35 6.396 -3.520 5.452 1.00 0.00 N ATOM 493 CA GLY A 35 7.746 -3.564 4.922 1.00 0.00 C ATOM 494 C GLY A 35 8.168 -2.248 4.300 1.00 0.00 C ATOM 495 O GLY A 35 7.462 -1.246 4.412 1.00 0.00 O ATOM 0 H GLY A 35 6.273 -2.909 6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.439 -3.823 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.814 -4.354 4.174 1.00 0.00 H new ATOM 499 N GLY A 36 9.324 -2.248 3.644 1.00 0.00 N ATOM 500 CA GLY A 36 9.821 -1.039 3.014 1.00 0.00 C ATOM 501 C GLY A 36 11.298 -0.816 3.269 1.00 0.00 C ATOM 502 O GLY A 36 11.924 -1.562 4.022 1.00 0.00 O ATOM 0 H GLY A 36 9.926 -3.065 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.646 -1.095 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.258 -0.182 3.385 1.00 0.00 H new ATOM 506 N TYR A 37 11.857 0.211 2.640 1.00 0.00 N ATOM 507 CA TYR A 37 13.271 0.527 2.799 1.00 0.00 C ATOM 508 C TYR A 37 13.633 0.676 4.274 1.00 0.00 C ATOM 509 O TYR A 37 14.744 0.343 4.689 1.00 0.00 O ATOM 510 CB TYR A 37 13.616 1.813 2.046 1.00 0.00 C ATOM 511 CG TYR A 37 15.087 2.161 2.084 1.00 0.00 C ATOM 512 CD1 TYR A 37 15.987 1.558 1.214 1.00 0.00 C ATOM 513 CD2 TYR A 37 15.577 3.095 2.989 1.00 0.00 C ATOM 514 CE1 TYR A 37 17.332 1.872 1.246 1.00 0.00 C ATOM 515 CE2 TYR A 37 16.920 3.417 3.027 1.00 0.00 C ATOM 516 CZ TYR A 37 17.793 2.803 2.154 1.00 0.00 C ATOM 517 OH TYR A 37 19.132 3.120 2.188 1.00 0.00 O ATOM 0 H TYR A 37 11.352 0.839 2.015 1.00 0.00 H new ATOM 0 HA TYR A 37 13.850 -0.297 2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 37 13.302 1.711 1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 37 13.045 2.638 2.472 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.629 0.831 0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 37 14.896 3.578 3.675 1.00 0.00 H new ATOM 0 HE1 TYR A 37 18.018 1.392 0.564 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.284 4.145 3.736 1.00 0.00 H new ATOM 0 HH TYR A 37 19.291 3.793 2.883 1.00 0.00 H new ATOM 527 N ASP A 38 12.688 1.178 5.060 1.00 0.00 N ATOM 528 CA ASP A 38 12.905 1.370 6.489 1.00 0.00 C ATOM 529 C ASP A 38 13.366 0.074 7.148 1.00 0.00 C ATOM 530 O ASP A 38 14.159 0.093 8.089 1.00 0.00 O ATOM 531 CB ASP A 38 11.623 1.869 7.159 1.00 0.00 C ATOM 532 CG ASP A 38 11.853 2.316 8.589 1.00 0.00 C ATOM 533 OD1 ASP A 38 12.780 1.783 9.235 1.00 0.00 O ATOM 534 OD2 ASP A 38 11.106 3.197 9.064 1.00 0.00 O ATOM 0 H ASP A 38 11.764 1.459 4.732 1.00 0.00 H new ATOM 0 HA ASP A 38 13.687 2.119 6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.215 2.700 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.877 1.075 7.145 1.00 0.00 H new ATOM 539 N GLN A 39 12.863 -1.050 6.647 1.00 0.00 N ATOM 540 CA GLN A 39 13.222 -2.355 7.189 1.00 0.00 C ATOM 541 C GLN A 39 13.905 -3.214 6.130 1.00 0.00 C ATOM 542 O GLN A 39 13.819 -4.442 6.161 1.00 0.00 O ATOM 543 CB GLN A 39 11.979 -3.071 7.719 1.00 0.00 C ATOM 544 CG GLN A 39 11.477 -2.518 9.043 1.00 0.00 C ATOM 545 CD GLN A 39 10.371 -3.361 9.646 1.00 0.00 C ATOM 546 OE1 GLN A 39 10.304 -4.570 9.423 1.00 0.00 O ATOM 547 NE2 GLN A 39 9.494 -2.726 10.416 1.00 0.00 N ATOM 0 H GLN A 39 12.206 -1.083 5.867 1.00 0.00 H new ATOM 0 HA GLN A 39 13.920 -2.199 8.011 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.183 -2.996 6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.204 -4.131 7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.308 -2.459 9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.113 -1.501 8.893 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.587 -1.723 10.574 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.728 -3.242 10.849 1.00 0.00 H new ATOM 556 N LYS A 40 14.585 -2.562 5.193 1.00 0.00 N ATOM 557 CA LYS A 40 15.284 -3.265 4.125 1.00 0.00 C ATOM 558 C LYS A 40 14.513 -4.509 3.697 1.00 0.00 C ATOM 559 O LYS A 40 15.101 -5.563 3.457 1.00 0.00 O ATOM 560 CB LYS A 40 16.692 -3.655 4.579 1.00 0.00 C ATOM 561 CG LYS A 40 17.597 -2.465 4.847 1.00 0.00 C ATOM 562 CD LYS A 40 17.389 -1.910 6.246 1.00 0.00 C ATOM 563 CE LYS A 40 18.132 -2.732 7.288 1.00 0.00 C ATOM 564 NZ LYS A 40 19.594 -2.447 7.279 1.00 0.00 N ATOM 0 H LYS A 40 14.667 -1.546 5.152 1.00 0.00 H new ATOM 0 HA LYS A 40 15.358 -2.593 3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.619 -4.256 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.150 -4.284 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.638 -2.764 4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.400 -1.684 4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.733 -0.876 6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.324 -1.900 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.726 -2.518 8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.967 -3.793 7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.048 -2.935 8.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.008 -2.785 6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.748 -1.422 7.366 1.00 0.00 H new ATOM 578 N MET A 41 13.194 -4.379 3.601 1.00 0.00 N ATOM 579 CA MET A 41 12.343 -5.493 3.199 1.00 0.00 C ATOM 580 C MET A 41 11.276 -5.034 2.211 1.00 0.00 C ATOM 581 O MET A 41 10.851 -3.878 2.212 1.00 0.00 O ATOM 582 CB MET A 41 11.681 -6.126 4.425 1.00 0.00 C ATOM 583 CG MET A 41 10.487 -5.341 4.943 1.00 0.00 C ATOM 584 SD MET A 41 9.484 -6.288 6.104 1.00 0.00 S ATOM 585 CE MET A 41 8.377 -7.137 4.980 1.00 0.00 C ATOM 0 H MET A 41 12.691 -3.513 3.796 1.00 0.00 H new ATOM 0 HA MET A 41 12.970 -6.237 2.709 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.360 -7.137 4.173 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.420 -6.216 5.221 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.839 -4.432 5.430 1.00 0.00 H new ATOM 0 HG3 MET A 41 9.867 -5.032 4.101 1.00 0.00 H new ATOM 0 HE1 MET A 41 8.100 -8.103 5.403 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.480 -6.536 4.829 1.00 0.00 H new ATOM 0 HE3 MET A 41 8.877 -7.289 4.023 1.00 0.00 H new ATOM 595 N PRO A 42 10.832 -5.958 1.346 1.00 0.00 N ATOM 596 CA PRO A 42 9.809 -5.670 0.336 1.00 0.00 C ATOM 597 C PRO A 42 8.433 -5.445 0.953 1.00 0.00 C ATOM 598 O PRO A 42 8.059 -6.110 1.919 1.00 0.00 O ATOM 599 CB PRO A 42 9.806 -6.929 -0.534 1.00 0.00 C ATOM 600 CG PRO A 42 10.308 -8.010 0.361 1.00 0.00 C ATOM 601 CD PRO A 42 11.295 -7.355 1.287 1.00 0.00 C ATOM 0 HA PRO A 42 10.026 -4.755 -0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.805 -7.153 -0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.447 -6.808 -1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.490 -8.465 0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.781 -8.805 -0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.292 -7.821 2.272 1.00 0.00 H new ATOM 0 HD3 PRO A 42 12.313 -7.425 0.904 1.00 0.00 H new ATOM 609 N VAL A 43 7.684 -4.503 0.388 1.00 0.00 N ATOM 610 CA VAL A 43 6.348 -4.192 0.882 1.00 0.00 C ATOM 611 C VAL A 43 5.324 -5.201 0.374 1.00 0.00 C ATOM 612 O VAL A 43 4.975 -5.205 -0.807 1.00 0.00 O ATOM 613 CB VAL A 43 5.909 -2.777 0.461 1.00 0.00 C ATOM 614 CG1 VAL A 43 4.571 -2.422 1.090 1.00 0.00 C ATOM 615 CG2 VAL A 43 6.972 -1.756 0.838 1.00 0.00 C ATOM 0 H VAL A 43 7.980 -3.943 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 43 6.394 -4.242 1.970 1.00 0.00 H new ATOM 0 HB VAL A 43 5.789 -2.761 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.278 -1.419 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.815 -3.137 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.659 -2.455 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.646 -0.762 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.126 -1.773 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.907 -2.001 0.334 1.00 0.00 H new ATOM 625 N ILE A 44 4.848 -6.056 1.273 1.00 0.00 N ATOM 626 CA ILE A 44 3.863 -7.070 0.916 1.00 0.00 C ATOM 627 C ILE A 44 2.547 -6.840 1.650 1.00 0.00 C ATOM 628 O ILE A 44 2.530 -6.337 2.774 1.00 0.00 O ATOM 629 CB ILE A 44 4.375 -8.487 1.232 1.00 0.00 C ATOM 630 CG1 ILE A 44 5.610 -8.808 0.388 1.00 0.00 C ATOM 631 CG2 ILE A 44 3.278 -9.513 0.986 1.00 0.00 C ATOM 632 CD1 ILE A 44 6.906 -8.341 1.012 1.00 0.00 C ATOM 0 H ILE A 44 5.128 -6.067 2.254 1.00 0.00 H new ATOM 0 HA ILE A 44 3.696 -6.985 -0.158 1.00 0.00 H new ATOM 0 HB ILE A 44 4.657 -8.529 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.661 -9.885 0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.501 -8.345 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.655 -10.510 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.424 -9.293 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.969 -9.472 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.739 -8.602 0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.876 -7.260 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.039 -8.824 1.980 1.00 0.00 H new ATOM 644 N VAL A 45 1.444 -7.215 1.009 1.00 0.00 N ATOM 645 CA VAL A 45 0.122 -7.053 1.602 1.00 0.00 C ATOM 646 C VAL A 45 0.064 -7.676 2.993 1.00 0.00 C ATOM 647 O VAL A 45 0.358 -8.858 3.167 1.00 0.00 O ATOM 648 CB VAL A 45 -0.970 -7.688 0.721 1.00 0.00 C ATOM 649 CG1 VAL A 45 -2.307 -7.687 1.445 1.00 0.00 C ATOM 650 CG2 VAL A 45 -1.073 -6.956 -0.608 1.00 0.00 C ATOM 0 H VAL A 45 1.440 -7.633 0.079 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.062 -5.981 1.679 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.694 -8.723 0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.066 -8.139 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.221 -8.259 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.593 -6.662 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.849 -7.418 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.326 -5.911 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.118 -7.014 -1.130 1.00 0.00 H new ATOM 660 N SER A 46 -0.318 -6.871 3.980 1.00 0.00 N ATOM 661 CA SER A 46 -0.412 -7.342 5.357 1.00 0.00 C ATOM 662 C SER A 46 -1.684 -8.159 5.566 1.00 0.00 C ATOM 663 O SER A 46 -1.627 -9.362 5.820 1.00 0.00 O ATOM 664 CB SER A 46 -0.387 -6.159 6.326 1.00 0.00 C ATOM 665 OG SER A 46 -0.704 -6.572 7.644 1.00 0.00 O ATOM 0 H SER A 46 -0.567 -5.890 3.852 1.00 0.00 H new ATOM 0 HA SER A 46 0.447 -7.983 5.555 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.600 -5.696 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.099 -5.401 5.998 1.00 0.00 H new ATOM 0 HG SER A 46 -0.680 -5.798 8.244 1.00 0.00 H new ATOM 671 N ARG A 47 -2.830 -7.495 5.457 1.00 0.00 N ATOM 672 CA ARG A 47 -4.116 -8.157 5.635 1.00 0.00 C ATOM 673 C ARG A 47 -5.154 -7.599 4.666 1.00 0.00 C ATOM 674 O ARG A 47 -5.045 -6.461 4.210 1.00 0.00 O ATOM 675 CB ARG A 47 -4.605 -7.989 7.075 1.00 0.00 C ATOM 676 CG ARG A 47 -5.895 -8.737 7.371 1.00 0.00 C ATOM 677 CD ARG A 47 -5.664 -10.238 7.446 1.00 0.00 C ATOM 678 NE ARG A 47 -4.874 -10.613 8.616 1.00 0.00 N ATOM 679 CZ ARG A 47 -5.348 -10.606 9.856 1.00 0.00 C ATOM 680 NH1 ARG A 47 -6.603 -10.246 10.088 1.00 0.00 N ATOM 681 NH2 ARG A 47 -4.567 -10.960 10.869 1.00 0.00 N ATOM 0 H ARG A 47 -2.894 -6.499 5.246 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.982 -9.218 5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.829 -8.337 7.756 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.755 -6.929 7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.313 -8.385 8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.629 -8.519 6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.625 -10.751 7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.154 -10.572 6.542 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.905 -10.896 8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.207 -9.973 9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.964 -10.242 11.042 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.601 -11.238 10.695 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.933 -10.954 11.821 1.00 0.00 H new ATOM 695 N VAL A 48 -6.161 -8.409 4.355 1.00 0.00 N ATOM 696 CA VAL A 48 -7.219 -7.996 3.440 1.00 0.00 C ATOM 697 C VAL A 48 -8.590 -8.407 3.965 1.00 0.00 C ATOM 698 O VAL A 48 -8.901 -9.594 4.057 1.00 0.00 O ATOM 699 CB VAL A 48 -7.016 -8.600 2.038 1.00 0.00 C ATOM 700 CG1 VAL A 48 -8.158 -8.202 1.115 1.00 0.00 C ATOM 701 CG2 VAL A 48 -5.677 -8.168 1.461 1.00 0.00 C ATOM 0 H VAL A 48 -6.267 -9.354 4.723 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.171 -6.909 3.369 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.014 -9.686 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.998 -8.638 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.100 -8.567 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.195 -7.116 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.550 -8.604 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.647 -7.081 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.873 -8.509 2.113 1.00 0.00 H new ATOM 711 N ALA A 49 -9.408 -7.417 4.308 1.00 0.00 N ATOM 712 CA ALA A 49 -10.747 -7.675 4.821 1.00 0.00 C ATOM 713 C ALA A 49 -11.706 -8.041 3.694 1.00 0.00 C ATOM 714 O ALA A 49 -11.565 -7.593 2.556 1.00 0.00 O ATOM 715 CB ALA A 49 -11.263 -6.462 5.582 1.00 0.00 C ATOM 0 H ALA A 49 -9.166 -6.428 4.240 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.690 -8.523 5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.264 -6.668 5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.597 -6.246 6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.298 -5.601 4.914 1.00 0.00 H new ATOM 721 N PRO A 50 -12.705 -8.877 4.014 1.00 0.00 N ATOM 722 CA PRO A 50 -13.707 -9.322 3.041 1.00 0.00 C ATOM 723 C PRO A 50 -14.650 -8.198 2.623 1.00 0.00 C ATOM 724 O PRO A 50 -14.732 -7.165 3.287 1.00 0.00 O ATOM 725 CB PRO A 50 -14.475 -10.411 3.795 1.00 0.00 C ATOM 726 CG PRO A 50 -14.300 -10.069 5.234 1.00 0.00 C ATOM 727 CD PRO A 50 -12.935 -9.450 5.351 1.00 0.00 C ATOM 0 HA PRO A 50 -13.249 -9.668 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.528 -10.419 3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.079 -11.402 3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.072 -9.376 5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.380 -10.959 5.859 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.906 -8.685 6.127 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.178 -10.192 5.606 1.00 0.00 H new ATOM 735 N GLY A 51 -15.360 -8.407 1.519 1.00 0.00 N ATOM 736 CA GLY A 51 -16.287 -7.403 1.032 1.00 0.00 C ATOM 737 C GLY A 51 -15.646 -6.035 0.902 1.00 0.00 C ATOM 738 O GLY A 51 -16.117 -5.061 1.489 1.00 0.00 O ATOM 0 H GLY A 51 -15.310 -9.254 0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.676 -7.712 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.138 -7.339 1.710 1.00 0.00 H new ATOM 742 N THR A 52 -14.565 -5.961 0.132 1.00 0.00 N ATOM 743 CA THR A 52 -13.855 -4.705 -0.071 1.00 0.00 C ATOM 744 C THR A 52 -13.519 -4.495 -1.543 1.00 0.00 C ATOM 745 O THR A 52 -13.441 -5.440 -2.328 1.00 0.00 O ATOM 746 CB THR A 52 -12.555 -4.654 0.753 1.00 0.00 C ATOM 747 OG1 THR A 52 -11.930 -5.942 0.761 1.00 0.00 O ATOM 748 CG2 THR A 52 -12.837 -4.212 2.181 1.00 0.00 C ATOM 0 H THR A 52 -14.162 -6.757 -0.362 1.00 0.00 H new ATOM 0 HA THR A 52 -14.520 -3.909 0.264 1.00 0.00 H new ATOM 0 HB THR A 52 -11.885 -3.929 0.291 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.924 -6.297 1.674 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.904 -4.183 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.286 -3.219 2.172 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.523 -4.917 2.651 1.00 0.00 H new ATOM 756 N PRO A 53 -13.314 -3.227 -1.929 1.00 0.00 N ATOM 757 CA PRO A 53 -12.982 -2.863 -3.310 1.00 0.00 C ATOM 758 C PRO A 53 -11.580 -3.314 -3.706 1.00 0.00 C ATOM 759 O PRO A 53 -11.143 -3.094 -4.836 1.00 0.00 O ATOM 760 CB PRO A 53 -13.071 -1.335 -3.306 1.00 0.00 C ATOM 761 CG PRO A 53 -12.818 -0.944 -1.891 1.00 0.00 C ATOM 762 CD PRO A 53 -13.391 -2.050 -1.047 1.00 0.00 C ATOM 0 HA PRO A 53 -13.648 -3.340 -4.029 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.333 -0.894 -3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.051 -0.995 -3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.751 -0.823 -1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.292 0.010 -1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.817 -2.195 -0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.418 -1.837 -0.749 1.00 0.00 H new ATOM 770 N ALA A 54 -10.879 -3.945 -2.770 1.00 0.00 N ATOM 771 CA ALA A 54 -9.528 -4.428 -3.022 1.00 0.00 C ATOM 772 C ALA A 54 -9.510 -5.943 -3.197 1.00 0.00 C ATOM 773 O ALA A 54 -8.524 -6.512 -3.666 1.00 0.00 O ATOM 774 CB ALA A 54 -8.599 -4.014 -1.891 1.00 0.00 C ATOM 0 H ALA A 54 -11.225 -4.134 -1.829 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.175 -3.977 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.593 -4.382 -2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.579 -2.927 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.958 -4.436 -0.952 1.00 0.00 H new ATOM 780 N ASP A 55 -10.605 -6.590 -2.815 1.00 0.00 N ATOM 781 CA ASP A 55 -10.716 -8.040 -2.930 1.00 0.00 C ATOM 782 C ASP A 55 -11.571 -8.427 -4.132 1.00 0.00 C ATOM 783 O ASP A 55 -11.137 -9.190 -4.996 1.00 0.00 O ATOM 784 CB ASP A 55 -11.315 -8.630 -1.652 1.00 0.00 C ATOM 785 CG ASP A 55 -10.998 -10.104 -1.491 1.00 0.00 C ATOM 786 OD1 ASP A 55 -9.802 -10.444 -1.375 1.00 0.00 O ATOM 787 OD2 ASP A 55 -11.946 -10.917 -1.481 1.00 0.00 O ATOM 0 H ASP A 55 -11.429 -6.134 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.714 -8.445 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.934 -8.083 -0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.396 -8.493 -1.664 1.00 0.00 H new ATOM 792 N LEU A 56 -12.788 -7.896 -4.182 1.00 0.00 N ATOM 793 CA LEU A 56 -13.705 -8.186 -5.278 1.00 0.00 C ATOM 794 C LEU A 56 -13.100 -7.778 -6.617 1.00 0.00 C ATOM 795 O LEU A 56 -13.536 -8.237 -7.673 1.00 0.00 O ATOM 796 CB LEU A 56 -15.034 -7.460 -5.063 1.00 0.00 C ATOM 797 CG LEU A 56 -15.675 -7.627 -3.685 1.00 0.00 C ATOM 798 CD1 LEU A 56 -16.658 -6.499 -3.414 1.00 0.00 C ATOM 799 CD2 LEU A 56 -16.368 -8.978 -3.580 1.00 0.00 C ATOM 0 H LEU A 56 -13.162 -7.262 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.884 -9.261 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.877 -6.396 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.741 -7.809 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.889 -7.585 -2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -17.105 -6.634 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -16.134 -5.544 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.441 -6.509 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.819 -9.080 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.144 -9.049 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.638 -9.774 -3.730 1.00 0.00 H new ATOM 811 N CYS A 57 -12.092 -6.914 -6.566 1.00 0.00 N ATOM 812 CA CYS A 57 -11.425 -6.444 -7.775 1.00 0.00 C ATOM 813 C CYS A 57 -10.686 -7.586 -8.467 1.00 0.00 C ATOM 814 O CYS A 57 -10.193 -8.506 -7.814 1.00 0.00 O ATOM 815 CB CYS A 57 -10.446 -5.318 -7.438 1.00 0.00 C ATOM 816 SG CYS A 57 -9.031 -5.842 -6.442 1.00 0.00 S ATOM 0 H CYS A 57 -11.719 -6.525 -5.700 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.186 -6.062 -8.455 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.080 -4.879 -8.366 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -10.982 -4.533 -6.904 1.00 0.00 H new ATOM 0 HG CYS A 57 -8.371 -6.764 -7.077 1.00 0.00 H new ATOM 822 N VAL A 58 -10.616 -7.520 -9.793 1.00 0.00 N ATOM 823 CA VAL A 58 -9.938 -8.548 -10.574 1.00 0.00 C ATOM 824 C VAL A 58 -8.713 -7.981 -11.283 1.00 0.00 C ATOM 825 O VAL A 58 -8.793 -7.005 -12.028 1.00 0.00 O ATOM 826 CB VAL A 58 -10.882 -9.170 -11.621 1.00 0.00 C ATOM 827 CG1 VAL A 58 -10.132 -10.171 -12.486 1.00 0.00 C ATOM 828 CG2 VAL A 58 -12.073 -9.827 -10.940 1.00 0.00 C ATOM 0 H VAL A 58 -11.020 -6.766 -10.348 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.623 -9.322 -9.874 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.256 -8.376 -12.267 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.814 -10.601 -13.220 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.315 -9.666 -13.002 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.729 -10.965 -11.857 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.729 -10.261 -11.694 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.722 -10.611 -10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.623 -9.080 -10.367 1.00 0.00 H new ATOM 838 N PRO A 59 -7.551 -8.608 -11.046 1.00 0.00 N ATOM 839 CA PRO A 59 -7.444 -9.770 -10.160 1.00 0.00 C ATOM 840 C PRO A 59 -7.657 -9.404 -8.695 1.00 0.00 C ATOM 841 O PRO A 59 -7.594 -8.232 -8.323 1.00 0.00 O ATOM 842 CB PRO A 59 -6.010 -10.258 -10.386 1.00 0.00 C ATOM 843 CG PRO A 59 -5.267 -9.050 -10.840 1.00 0.00 C ATOM 844 CD PRO A 59 -6.251 -8.228 -11.626 1.00 0.00 C ATOM 0 HA PRO A 59 -8.204 -10.520 -10.379 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.581 -10.666 -9.470 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.974 -11.049 -11.135 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.880 -8.488 -9.990 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.411 -9.327 -11.455 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.059 -7.160 -11.519 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.204 -8.455 -12.691 1.00 0.00 H new ATOM 852 N ARG A 60 -7.909 -10.414 -7.868 1.00 0.00 N ATOM 853 CA ARG A 60 -8.132 -10.197 -6.444 1.00 0.00 C ATOM 854 C ARG A 60 -6.810 -9.979 -5.713 1.00 0.00 C ATOM 855 O ARG A 60 -5.843 -10.712 -5.925 1.00 0.00 O ATOM 856 CB ARG A 60 -8.872 -11.389 -5.835 1.00 0.00 C ATOM 857 CG ARG A 60 -8.963 -11.340 -4.318 1.00 0.00 C ATOM 858 CD ARG A 60 -9.093 -12.733 -3.723 1.00 0.00 C ATOM 859 NE ARG A 60 -8.596 -12.791 -2.351 1.00 0.00 N ATOM 860 CZ ARG A 60 -8.507 -13.914 -1.648 1.00 0.00 C ATOM 861 NH1 ARG A 60 -8.880 -15.068 -2.185 1.00 0.00 N ATOM 862 NH2 ARG A 60 -8.044 -13.886 -0.405 1.00 0.00 N ATOM 0 H ARG A 60 -7.964 -11.390 -8.160 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.743 -9.301 -6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.879 -11.431 -6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.367 -12.309 -6.131 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.076 -10.852 -3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.821 -10.736 -4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.139 -13.039 -3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.541 -13.443 -4.339 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.301 -11.921 -1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.236 -15.094 -3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.810 -15.929 -1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.756 -13.001 0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.976 -14.750 0.134 1.00 0.00 H new ATOM 876 N LEU A 61 -6.775 -8.966 -4.854 1.00 0.00 N ATOM 877 CA LEU A 61 -5.572 -8.650 -4.092 1.00 0.00 C ATOM 878 C LEU A 61 -5.557 -9.399 -2.764 1.00 0.00 C ATOM 879 O LEU A 61 -6.202 -8.988 -1.801 1.00 0.00 O ATOM 880 CB LEU A 61 -5.484 -7.144 -3.843 1.00 0.00 C ATOM 881 CG LEU A 61 -4.241 -6.659 -3.094 1.00 0.00 C ATOM 882 CD1 LEU A 61 -3.051 -6.572 -4.036 1.00 0.00 C ATOM 883 CD2 LEU A 61 -4.505 -5.311 -2.439 1.00 0.00 C ATOM 0 H LEU A 61 -7.566 -8.349 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.708 -8.966 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.526 -6.634 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.366 -6.837 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.007 -7.381 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.176 -6.225 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.848 -7.556 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.274 -5.872 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.610 -4.982 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.765 -4.579 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.329 -5.405 -1.732 1.00 0.00 H new ATOM 895 N ASN A 62 -4.813 -10.500 -2.720 1.00 0.00 N ATOM 896 CA ASN A 62 -4.711 -11.306 -1.508 1.00 0.00 C ATOM 897 C ASN A 62 -3.336 -11.151 -0.866 1.00 0.00 C ATOM 898 O ASN A 62 -2.378 -10.739 -1.519 1.00 0.00 O ATOM 899 CB ASN A 62 -4.976 -12.779 -1.827 1.00 0.00 C ATOM 900 CG ASN A 62 -4.198 -13.256 -3.038 1.00 0.00 C ATOM 901 OD1 ASN A 62 -3.013 -13.576 -2.942 1.00 0.00 O ATOM 902 ND2 ASN A 62 -4.863 -13.307 -4.186 1.00 0.00 N ATOM 0 H ASN A 62 -4.272 -10.854 -3.509 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.463 -10.954 -0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.709 -13.389 -0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.042 -12.924 -2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.392 -13.621 -5.035 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.845 -13.032 -4.219 1.00 0.00 H new ATOM 909 N GLU A 63 -3.248 -11.487 0.418 1.00 0.00 N ATOM 910 CA GLU A 63 -1.990 -11.385 1.148 1.00 0.00 C ATOM 911 C GLU A 63 -0.869 -12.105 0.404 1.00 0.00 C ATOM 912 O GLU A 63 -1.032 -13.243 -0.035 1.00 0.00 O ATOM 913 CB GLU A 63 -2.142 -11.970 2.554 1.00 0.00 C ATOM 914 CG GLU A 63 -3.133 -11.215 3.424 1.00 0.00 C ATOM 915 CD GLU A 63 -4.550 -11.736 3.280 1.00 0.00 C ATOM 916 OE1 GLU A 63 -5.183 -11.455 2.242 1.00 0.00 O ATOM 917 OE2 GLU A 63 -5.024 -12.424 4.208 1.00 0.00 O ATOM 0 H GLU A 63 -4.032 -11.831 0.973 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.730 -10.329 1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.460 -13.009 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.169 -11.972 3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.826 -11.291 4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.110 -10.158 3.161 1.00 0.00 H new ATOM 924 N GLY A 64 0.270 -11.433 0.266 1.00 0.00 N ATOM 925 CA GLY A 64 1.401 -12.023 -0.426 1.00 0.00 C ATOM 926 C GLY A 64 1.867 -11.182 -1.598 1.00 0.00 C ATOM 927 O GLY A 64 3.066 -10.985 -1.791 1.00 0.00 O ATOM 0 H GLY A 64 0.430 -10.490 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.225 -12.151 0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.127 -13.016 -0.782 1.00 0.00 H new ATOM 931 N ASP A 65 0.916 -10.686 -2.383 1.00 0.00 N ATOM 932 CA ASP A 65 1.235 -9.862 -3.543 1.00 0.00 C ATOM 933 C ASP A 65 2.232 -8.767 -3.174 1.00 0.00 C ATOM 934 O ASP A 65 1.866 -7.761 -2.568 1.00 0.00 O ATOM 935 CB ASP A 65 -0.037 -9.238 -4.118 1.00 0.00 C ATOM 936 CG ASP A 65 -1.070 -10.279 -4.503 1.00 0.00 C ATOM 937 OD1 ASP A 65 -1.123 -11.336 -3.839 1.00 0.00 O ATOM 938 OD2 ASP A 65 -1.825 -10.037 -5.467 1.00 0.00 O ATOM 0 H ASP A 65 -0.082 -10.840 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 65 1.689 -10.503 -4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.468 -8.557 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.218 -8.642 -4.994 1.00 0.00 H new ATOM 943 N GLN A 66 3.492 -8.973 -3.543 1.00 0.00 N ATOM 944 CA GLN A 66 4.541 -8.003 -3.250 1.00 0.00 C ATOM 945 C GLN A 66 4.392 -6.759 -4.118 1.00 0.00 C ATOM 946 O GLN A 66 4.438 -6.837 -5.346 1.00 0.00 O ATOM 947 CB GLN A 66 5.919 -8.630 -3.468 1.00 0.00 C ATOM 948 CG GLN A 66 7.071 -7.666 -3.232 1.00 0.00 C ATOM 949 CD GLN A 66 8.309 -8.029 -4.028 1.00 0.00 C ATOM 950 OE1 GLN A 66 8.797 -9.157 -3.959 1.00 0.00 O ATOM 951 NE2 GLN A 66 8.824 -7.072 -4.791 1.00 0.00 N ATOM 0 H GLN A 66 3.811 -9.802 -4.045 1.00 0.00 H new ATOM 0 HA GLN A 66 4.445 -7.707 -2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.029 -9.485 -2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.978 -9.011 -4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.756 -6.657 -3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.317 -7.653 -2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.387 -6.151 -4.818 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.657 -7.258 -5.350 1.00 0.00 H new ATOM 960 N VAL A 67 4.211 -5.611 -3.473 1.00 0.00 N ATOM 961 CA VAL A 67 4.055 -4.349 -4.187 1.00 0.00 C ATOM 962 C VAL A 67 5.401 -3.824 -4.675 1.00 0.00 C ATOM 963 O VAL A 67 6.282 -3.506 -3.876 1.00 0.00 O ATOM 964 CB VAL A 67 3.391 -3.280 -3.299 1.00 0.00 C ATOM 965 CG1 VAL A 67 3.064 -2.037 -4.113 1.00 0.00 C ATOM 966 CG2 VAL A 67 2.140 -3.840 -2.639 1.00 0.00 C ATOM 0 H VAL A 67 4.169 -5.529 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 67 3.413 -4.548 -5.045 1.00 0.00 H new ATOM 0 HB VAL A 67 4.093 -2.996 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.596 -1.293 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.982 -1.626 -4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.380 -2.300 -4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.683 -3.072 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.432 -4.152 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.407 -4.698 -2.021 1.00 0.00 H new ATOM 976 N VAL A 68 5.553 -3.734 -5.992 1.00 0.00 N ATOM 977 CA VAL A 68 6.790 -3.245 -6.588 1.00 0.00 C ATOM 978 C VAL A 68 6.697 -1.757 -6.906 1.00 0.00 C ATOM 979 O VAL A 68 7.531 -0.964 -6.467 1.00 0.00 O ATOM 980 CB VAL A 68 7.135 -4.014 -7.877 1.00 0.00 C ATOM 981 CG1 VAL A 68 8.440 -3.506 -8.469 1.00 0.00 C ATOM 982 CG2 VAL A 68 7.210 -5.508 -7.602 1.00 0.00 C ATOM 0 H VAL A 68 4.834 -3.994 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 68 7.580 -3.408 -5.855 1.00 0.00 H new ATOM 0 HB VAL A 68 6.343 -3.841 -8.605 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.667 -4.061 -9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.344 -2.446 -8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.245 -3.646 -7.748 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.455 -6.036 -8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.981 -5.703 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.248 -5.858 -7.228 1.00 0.00 H new ATOM 992 N LEU A 69 5.677 -1.384 -7.670 1.00 0.00 N ATOM 993 CA LEU A 69 5.473 0.010 -8.048 1.00 0.00 C ATOM 994 C LEU A 69 3.992 0.374 -8.011 1.00 0.00 C ATOM 995 O LEU A 69 3.139 -0.421 -8.407 1.00 0.00 O ATOM 996 CB LEU A 69 6.039 0.269 -9.445 1.00 0.00 C ATOM 997 CG LEU A 69 7.471 -0.210 -9.688 1.00 0.00 C ATOM 998 CD1 LEU A 69 7.747 -0.331 -11.179 1.00 0.00 C ATOM 999 CD2 LEU A 69 8.468 0.736 -9.035 1.00 0.00 C ATOM 0 H LEU A 69 4.978 -2.028 -8.040 1.00 0.00 H new ATOM 0 HA LEU A 69 6.000 0.636 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.387 -0.212 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.998 1.341 -9.639 1.00 0.00 H new ATOM 0 HG LEU A 69 7.586 -1.195 -9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.770 -0.673 -11.333 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.055 -1.048 -11.620 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.614 0.641 -11.654 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.482 0.379 -9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.353 1.734 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.285 0.773 -7.961 1.00 0.00 H new ATOM 1011 N ILE A 70 3.695 1.578 -7.536 1.00 0.00 N ATOM 1012 CA ILE A 70 2.318 2.047 -7.451 1.00 0.00 C ATOM 1013 C ILE A 70 1.975 2.960 -8.624 1.00 0.00 C ATOM 1014 O ILE A 70 2.641 3.969 -8.854 1.00 0.00 O ATOM 1015 CB ILE A 70 2.061 2.803 -6.134 1.00 0.00 C ATOM 1016 CG1 ILE A 70 2.378 1.907 -4.936 1.00 0.00 C ATOM 1017 CG2 ILE A 70 0.619 3.287 -6.074 1.00 0.00 C ATOM 1018 CD1 ILE A 70 2.526 2.666 -3.636 1.00 0.00 C ATOM 0 H ILE A 70 4.390 2.247 -7.204 1.00 0.00 H new ATOM 0 HA ILE A 70 1.681 1.163 -7.483 1.00 0.00 H new ATOM 0 HB ILE A 70 2.718 3.672 -6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.586 1.166 -4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.300 1.360 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.453 3.819 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.425 3.957 -6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.054 2.432 -6.130 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.750 1.967 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.338 3.388 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.597 3.191 -3.413 1.00 0.00 H new ATOM 1030 N ASN A 71 0.930 2.600 -9.362 1.00 0.00 N ATOM 1031 CA ASN A 71 0.498 3.387 -10.510 1.00 0.00 C ATOM 1032 C ASN A 71 1.694 3.832 -11.346 1.00 0.00 C ATOM 1033 O ASN A 71 1.695 4.924 -11.915 1.00 0.00 O ATOM 1034 CB ASN A 71 -0.298 4.609 -10.047 1.00 0.00 C ATOM 1035 CG ASN A 71 0.561 5.606 -9.293 1.00 0.00 C ATOM 1036 OD1 ASN A 71 1.633 5.993 -9.757 1.00 0.00 O ATOM 1037 ND2 ASN A 71 0.091 6.027 -8.125 1.00 0.00 N ATOM 0 H ASN A 71 0.367 1.768 -9.185 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.142 2.758 -11.129 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.743 5.099 -10.913 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.119 4.284 -9.408 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.624 6.699 -7.573 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.803 5.679 -7.780 1.00 0.00 H new ATOM 1044 N GLY A 72 2.711 2.979 -11.417 1.00 0.00 N ATOM 1045 CA GLY A 72 3.898 3.301 -12.186 1.00 0.00 C ATOM 1046 C GLY A 72 4.808 4.277 -11.465 1.00 0.00 C ATOM 1047 O GLY A 72 5.302 5.233 -12.063 1.00 0.00 O ATOM 0 H GLY A 72 2.734 2.070 -10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.449 2.385 -12.399 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.602 3.726 -13.145 1.00 0.00 H new ATOM 1051 N ARG A 73 5.028 4.037 -10.177 1.00 0.00 N ATOM 1052 CA ARG A 73 5.882 4.904 -9.373 1.00 0.00 C ATOM 1053 C ARG A 73 6.819 4.081 -8.495 1.00 0.00 C ATOM 1054 O ARG A 73 6.451 3.012 -8.009 1.00 0.00 O ATOM 1055 CB ARG A 73 5.030 5.829 -8.502 1.00 0.00 C ATOM 1056 CG ARG A 73 5.726 7.129 -8.132 1.00 0.00 C ATOM 1057 CD ARG A 73 5.672 8.134 -9.272 1.00 0.00 C ATOM 1058 NE ARG A 73 6.737 7.914 -10.247 1.00 0.00 N ATOM 1059 CZ ARG A 73 8.023 8.128 -9.991 1.00 0.00 C ATOM 1060 NH1 ARG A 73 8.401 8.565 -8.797 1.00 0.00 N ATOM 1061 NH2 ARG A 73 8.934 7.905 -10.929 1.00 0.00 N ATOM 0 H ARG A 73 4.627 3.250 -9.667 1.00 0.00 H new ATOM 0 HA ARG A 73 6.485 5.508 -10.051 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.104 6.060 -9.029 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.754 5.302 -7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.255 7.556 -7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.765 6.926 -7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.705 8.065 -9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.752 9.144 -8.869 1.00 0.00 H new ATOM 0 HE ARG A 73 6.479 7.578 -11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.704 8.738 -8.073 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.389 8.728 -8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.648 7.569 -11.848 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.921 8.070 -10.731 1.00 0.00 H new ATOM 1075 N ASP A 74 8.032 4.587 -8.297 1.00 0.00 N ATOM 1076 CA ASP A 74 9.022 3.899 -7.476 1.00 0.00 C ATOM 1077 C ASP A 74 8.804 4.197 -5.996 1.00 0.00 C ATOM 1078 O ASP A 74 9.017 5.321 -5.542 1.00 0.00 O ATOM 1079 CB ASP A 74 10.435 4.314 -7.890 1.00 0.00 C ATOM 1080 CG ASP A 74 10.585 4.438 -9.393 1.00 0.00 C ATOM 1081 OD1 ASP A 74 10.205 5.493 -9.943 1.00 0.00 O ATOM 1082 OD2 ASP A 74 11.084 3.481 -10.020 1.00 0.00 O ATOM 0 H ASP A 74 8.353 5.470 -8.693 1.00 0.00 H new ATOM 0 HA ASP A 74 8.905 2.827 -7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.682 5.268 -7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.150 3.581 -7.516 1.00 0.00 H new ATOM 1087 N ILE A 75 8.376 3.184 -5.251 1.00 0.00 N ATOM 1088 CA ILE A 75 8.129 3.338 -3.823 1.00 0.00 C ATOM 1089 C ILE A 75 8.886 2.287 -3.017 1.00 0.00 C ATOM 1090 O ILE A 75 8.423 1.843 -1.967 1.00 0.00 O ATOM 1091 CB ILE A 75 6.627 3.235 -3.497 1.00 0.00 C ATOM 1092 CG1 ILE A 75 6.072 1.890 -3.971 1.00 0.00 C ATOM 1093 CG2 ILE A 75 5.866 4.385 -4.138 1.00 0.00 C ATOM 1094 CD1 ILE A 75 6.195 0.788 -2.942 1.00 0.00 C ATOM 0 H ILE A 75 8.193 2.248 -5.612 1.00 0.00 H new ATOM 0 HA ILE A 75 8.485 4.330 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 75 6.499 3.299 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.022 2.013 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.597 1.589 -4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.806 4.298 -3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.248 5.332 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.998 4.350 -5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.781 -0.136 -3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.246 0.637 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.647 1.067 -2.042 1.00 0.00 H new ATOM 1106 N ALA A 76 10.054 1.896 -3.516 1.00 0.00 N ATOM 1107 CA ALA A 76 10.877 0.900 -2.841 1.00 0.00 C ATOM 1108 C ALA A 76 11.825 1.557 -1.843 1.00 0.00 C ATOM 1109 O ALA A 76 12.017 1.058 -0.735 1.00 0.00 O ATOM 1110 CB ALA A 76 11.661 0.085 -3.859 1.00 0.00 C ATOM 0 H ALA A 76 10.451 2.254 -4.385 1.00 0.00 H new ATOM 0 HA ALA A 76 10.216 0.232 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.271 -0.655 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.968 -0.422 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.306 0.747 -4.436 1.00 0.00 H new ATOM 1116 N GLU A 77 12.416 2.678 -2.245 1.00 0.00 N ATOM 1117 CA GLU A 77 13.346 3.401 -1.385 1.00 0.00 C ATOM 1118 C GLU A 77 12.602 4.120 -0.263 1.00 0.00 C ATOM 1119 O GLU A 77 13.135 4.306 0.831 1.00 0.00 O ATOM 1120 CB GLU A 77 14.153 4.410 -2.205 1.00 0.00 C ATOM 1121 CG GLU A 77 15.235 3.773 -3.060 1.00 0.00 C ATOM 1122 CD GLU A 77 15.732 4.695 -4.156 1.00 0.00 C ATOM 1123 OE1 GLU A 77 15.884 5.905 -3.891 1.00 0.00 O ATOM 1124 OE2 GLU A 77 15.967 4.205 -5.281 1.00 0.00 O ATOM 0 H GLU A 77 12.268 3.105 -3.159 1.00 0.00 H new ATOM 0 HA GLU A 77 14.028 2.677 -0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.474 4.968 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.613 5.130 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.073 3.486 -2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.847 2.858 -3.508 1.00 0.00 H new ATOM 1131 N HIS A 78 11.367 4.524 -0.543 1.00 0.00 N ATOM 1132 CA HIS A 78 10.549 5.222 0.442 1.00 0.00 C ATOM 1133 C HIS A 78 10.221 4.311 1.620 1.00 0.00 C ATOM 1134 O HIS A 78 10.022 3.107 1.452 1.00 0.00 O ATOM 1135 CB HIS A 78 9.257 5.727 -0.203 1.00 0.00 C ATOM 1136 CG HIS A 78 9.466 6.871 -1.146 1.00 0.00 C ATOM 1137 ND1 HIS A 78 9.592 8.179 -0.727 1.00 0.00 N ATOM 1138 CD2 HIS A 78 9.572 6.898 -2.495 1.00 0.00 C ATOM 1139 CE1 HIS A 78 9.765 8.961 -1.778 1.00 0.00 C ATOM 1140 NE2 HIS A 78 9.757 8.208 -2.863 1.00 0.00 N ATOM 0 H HIS A 78 10.911 4.380 -1.444 1.00 0.00 H new ATOM 0 HA HIS A 78 11.119 6.074 0.813 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.784 4.905 -0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.565 6.035 0.581 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.521 6.047 -3.159 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.891 10.033 -1.754 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.870 8.545 -3.819 1.00 0.00 H new ATOM 1149 N THR A 79 10.167 4.892 2.815 1.00 0.00 N ATOM 1150 CA THR A 79 9.865 4.133 4.022 1.00 0.00 C ATOM 1151 C THR A 79 8.371 3.854 4.137 1.00 0.00 C ATOM 1152 O THR A 79 7.546 4.619 3.635 1.00 0.00 O ATOM 1153 CB THR A 79 10.336 4.876 5.286 1.00 0.00 C ATOM 1154 OG1 THR A 79 9.744 6.179 5.337 1.00 0.00 O ATOM 1155 CG2 THR A 79 11.852 5.002 5.306 1.00 0.00 C ATOM 0 H THR A 79 10.329 5.887 2.972 1.00 0.00 H new ATOM 0 HA THR A 79 10.403 3.188 3.944 1.00 0.00 H new ATOM 0 HB THR A 79 10.023 4.300 6.157 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.047 6.645 6.144 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.161 5.530 6.208 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.300 4.008 5.296 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.182 5.558 4.429 1.00 0.00 H new ATOM 1163 N HIS A 80 8.028 2.755 4.801 1.00 0.00 N ATOM 1164 CA HIS A 80 6.631 2.376 4.983 1.00 0.00 C ATOM 1165 C HIS A 80 5.757 3.609 5.192 1.00 0.00 C ATOM 1166 O HIS A 80 4.834 3.865 4.419 1.00 0.00 O ATOM 1167 CB HIS A 80 6.489 1.428 6.174 1.00 0.00 C ATOM 1168 CG HIS A 80 5.072 1.231 6.617 1.00 0.00 C ATOM 1169 ND1 HIS A 80 4.266 0.222 6.134 1.00 0.00 N ATOM 1170 CD2 HIS A 80 4.319 1.919 7.506 1.00 0.00 C ATOM 1171 CE1 HIS A 80 3.078 0.299 6.705 1.00 0.00 C ATOM 1172 NE2 HIS A 80 3.083 1.321 7.542 1.00 0.00 N ATOM 0 H HIS A 80 8.698 2.111 5.222 1.00 0.00 H new ATOM 0 HA HIS A 80 6.298 1.865 4.080 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.917 0.461 5.911 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.071 1.817 7.009 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.632 2.778 8.080 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.244 -0.361 6.519 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.297 1.618 8.121 1.00 0.00 H new ATOM 1181 N ASP A 81 6.054 4.368 6.241 1.00 0.00 N ATOM 1182 CA ASP A 81 5.295 5.574 6.552 1.00 0.00 C ATOM 1183 C ASP A 81 4.919 6.322 5.277 1.00 0.00 C ATOM 1184 O ASP A 81 3.739 6.498 4.975 1.00 0.00 O ATOM 1185 CB ASP A 81 6.103 6.487 7.475 1.00 0.00 C ATOM 1186 CG ASP A 81 6.531 5.789 8.751 1.00 0.00 C ATOM 1187 OD1 ASP A 81 5.866 4.806 9.140 1.00 0.00 O ATOM 1188 OD2 ASP A 81 7.530 6.225 9.360 1.00 0.00 O ATOM 0 H ASP A 81 6.815 4.170 6.891 1.00 0.00 H new ATOM 0 HA ASP A 81 4.378 5.276 7.061 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.987 6.844 6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.507 7.364 7.727 1.00 0.00 H new ATOM 1193 N GLN A 82 5.930 6.761 4.534 1.00 0.00 N ATOM 1194 CA GLN A 82 5.705 7.493 3.293 1.00 0.00 C ATOM 1195 C GLN A 82 4.698 6.765 2.408 1.00 0.00 C ATOM 1196 O GLN A 82 3.586 7.247 2.190 1.00 0.00 O ATOM 1197 CB GLN A 82 7.023 7.679 2.540 1.00 0.00 C ATOM 1198 CG GLN A 82 7.066 8.939 1.691 1.00 0.00 C ATOM 1199 CD GLN A 82 6.154 8.859 0.482 1.00 0.00 C ATOM 1200 OE1 GLN A 82 5.928 7.781 -0.070 1.00 0.00 O ATOM 1201 NE2 GLN A 82 5.625 10.002 0.062 1.00 0.00 N ATOM 0 H GLN A 82 6.913 6.623 4.770 1.00 0.00 H new ATOM 0 HA GLN A 82 5.298 8.472 3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.842 7.707 3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.191 6.813 1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.779 9.795 2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.089 9.114 1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.839 10.872 0.549 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.005 10.010 -0.748 1.00 0.00 H new ATOM 1210 N VAL A 83 5.095 5.603 1.900 1.00 0.00 N ATOM 1211 CA VAL A 83 4.227 4.809 1.039 1.00 0.00 C ATOM 1212 C VAL A 83 2.776 4.885 1.500 1.00 0.00 C ATOM 1213 O VAL A 83 1.917 5.418 0.798 1.00 0.00 O ATOM 1214 CB VAL A 83 4.667 3.333 1.007 1.00 0.00 C ATOM 1215 CG1 VAL A 83 3.760 2.525 0.091 1.00 0.00 C ATOM 1216 CG2 VAL A 83 6.119 3.220 0.567 1.00 0.00 C ATOM 0 H VAL A 83 6.012 5.190 2.070 1.00 0.00 H new ATOM 0 HA VAL A 83 4.308 5.227 0.036 1.00 0.00 H new ATOM 0 HB VAL A 83 4.583 2.925 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.086 1.485 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.734 2.580 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.809 2.930 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.413 2.171 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.231 3.645 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.754 3.764 1.266 1.00 0.00 H new ATOM 1226 N VAL A 84 2.509 4.349 2.687 1.00 0.00 N ATOM 1227 CA VAL A 84 1.162 4.358 3.244 1.00 0.00 C ATOM 1228 C VAL A 84 0.427 5.644 2.885 1.00 0.00 C ATOM 1229 O VAL A 84 -0.715 5.612 2.423 1.00 0.00 O ATOM 1230 CB VAL A 84 1.187 4.205 4.776 1.00 0.00 C ATOM 1231 CG1 VAL A 84 -0.226 4.230 5.339 1.00 0.00 C ATOM 1232 CG2 VAL A 84 1.904 2.923 5.172 1.00 0.00 C ATOM 0 H VAL A 84 3.208 3.903 3.281 1.00 0.00 H new ATOM 0 HA VAL A 84 0.635 3.508 2.810 1.00 0.00 H new ATOM 0 HB VAL A 84 1.736 5.047 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.188 4.121 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.702 5.178 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.803 3.410 4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.912 2.831 6.258 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.385 2.067 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.929 2.950 4.803 1.00 0.00 H new ATOM 1242 N LEU A 85 1.088 6.776 3.098 1.00 0.00 N ATOM 1243 CA LEU A 85 0.498 8.076 2.796 1.00 0.00 C ATOM 1244 C LEU A 85 0.380 8.283 1.290 1.00 0.00 C ATOM 1245 O LEU A 85 -0.625 8.799 0.800 1.00 0.00 O ATOM 1246 CB LEU A 85 1.339 9.195 3.413 1.00 0.00 C ATOM 1247 CG LEU A 85 0.967 9.607 4.838 1.00 0.00 C ATOM 1248 CD1 LEU A 85 1.402 8.541 5.831 1.00 0.00 C ATOM 1249 CD2 LEU A 85 1.594 10.949 5.185 1.00 0.00 C ATOM 0 H LEU A 85 2.033 6.820 3.479 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.503 8.103 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.383 8.883 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.266 10.073 2.771 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.117 9.709 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.129 8.851 6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.907 7.599 5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.482 8.408 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.319 11.227 6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.679 10.874 5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.234 11.709 4.491 1.00 0.00 H new ATOM 1261 N PHE A 86 1.413 7.877 0.559 1.00 0.00 N ATOM 1262 CA PHE A 86 1.425 8.017 -0.893 1.00 0.00 C ATOM 1263 C PHE A 86 0.091 7.583 -1.492 1.00 0.00 C ATOM 1264 O PHE A 86 -0.585 8.365 -2.160 1.00 0.00 O ATOM 1265 CB PHE A 86 2.562 7.190 -1.497 1.00 0.00 C ATOM 1266 CG PHE A 86 3.104 7.760 -2.776 1.00 0.00 C ATOM 1267 CD1 PHE A 86 3.585 9.059 -2.823 1.00 0.00 C ATOM 1268 CD2 PHE A 86 3.131 6.998 -3.933 1.00 0.00 C ATOM 1269 CE1 PHE A 86 4.084 9.587 -3.999 1.00 0.00 C ATOM 1270 CE2 PHE A 86 3.630 7.520 -5.112 1.00 0.00 C ATOM 1271 CZ PHE A 86 4.106 8.816 -5.145 1.00 0.00 C ATOM 0 H PHE A 86 2.253 7.448 0.948 1.00 0.00 H new ATOM 0 HA PHE A 86 1.585 9.069 -1.130 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.371 7.115 -0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.205 6.177 -1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.570 9.666 -1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.758 5.985 -3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 86 4.456 10.601 -4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.648 6.915 -6.006 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.495 9.226 -6.065 1.00 0.00 H new ATOM 1281 N ILE A 87 -0.280 6.331 -1.248 1.00 0.00 N ATOM 1282 CA ILE A 87 -1.533 5.792 -1.763 1.00 0.00 C ATOM 1283 C ILE A 87 -2.715 6.666 -1.357 1.00 0.00 C ATOM 1284 O ILE A 87 -3.524 7.065 -2.196 1.00 0.00 O ATOM 1285 CB ILE A 87 -1.776 4.356 -1.263 1.00 0.00 C ATOM 1286 CG1 ILE A 87 -0.592 3.458 -1.630 1.00 0.00 C ATOM 1287 CG2 ILE A 87 -3.068 3.803 -1.847 1.00 0.00 C ATOM 1288 CD1 ILE A 87 -0.407 2.288 -0.689 1.00 0.00 C ATOM 0 H ILE A 87 0.269 5.671 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.448 5.780 -2.850 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.870 4.376 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.733 3.081 -2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.319 4.056 -1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.226 2.787 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.904 4.432 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.001 3.793 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.450 1.695 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.234 2.658 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.303 1.667 -0.700 1.00 0.00 H new ATOM 1300 N LYS A 88 -2.809 6.963 -0.065 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.890 7.792 0.453 1.00 0.00 C ATOM 1302 C LYS A 88 -4.055 9.056 -0.384 1.00 0.00 C ATOM 1303 O LYS A 88 -5.166 9.410 -0.779 1.00 0.00 O ATOM 1304 CB LYS A 88 -3.618 8.166 1.912 1.00 0.00 C ATOM 1305 CG LYS A 88 -4.148 7.150 2.909 1.00 0.00 C ATOM 1306 CD LYS A 88 -3.492 7.311 4.271 1.00 0.00 C ATOM 1307 CE LYS A 88 -3.441 5.991 5.024 1.00 0.00 C ATOM 1308 NZ LYS A 88 -4.798 5.533 5.434 1.00 0.00 N ATOM 0 H LYS A 88 -2.149 6.641 0.643 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.814 7.217 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.543 8.277 2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.069 9.136 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -5.227 7.265 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.968 6.143 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.481 7.699 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.045 8.045 4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.976 5.232 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.813 6.101 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.720 4.630 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.232 6.246 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.391 5.403 4.589 1.00 0.00 H new ATOM 1322 N ALA A 89 -2.943 9.733 -0.653 1.00 0.00 N ATOM 1323 CA ALA A 89 -2.965 10.955 -1.446 1.00 0.00 C ATOM 1324 C ALA A 89 -3.825 10.784 -2.694 1.00 0.00 C ATOM 1325 O ALA A 89 -4.647 11.643 -3.015 1.00 0.00 O ATOM 1326 CB ALA A 89 -1.550 11.361 -1.830 1.00 0.00 C ATOM 0 H ALA A 89 -2.015 9.455 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.406 11.745 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.582 12.276 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.963 11.533 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.089 10.565 -2.416 1.00 0.00 H new ATOM 1429 N GLU A 97 -8.151 5.739 -11.567 1.00 0.00 N ATOM 1430 CA GLU A 97 -8.391 4.662 -10.614 1.00 0.00 C ATOM 1431 C GLU A 97 -7.098 4.256 -9.914 1.00 0.00 C ATOM 1432 O GLU A 97 -6.010 4.694 -10.291 1.00 0.00 O ATOM 1433 CB GLU A 97 -9.002 3.451 -11.323 1.00 0.00 C ATOM 1434 CG GLU A 97 -10.512 3.528 -11.468 1.00 0.00 C ATOM 1435 CD GLU A 97 -10.965 4.773 -12.206 1.00 0.00 C ATOM 1436 OE1 GLU A 97 -10.383 5.076 -13.269 1.00 0.00 O ATOM 1437 OE2 GLU A 97 -11.899 5.444 -11.721 1.00 0.00 O ATOM 0 HA GLU A 97 -9.091 5.026 -9.862 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.555 3.356 -12.313 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.744 2.548 -10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.868 2.645 -12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.970 3.510 -10.479 1.00 0.00 H new ATOM 1444 N LEU A 98 -7.224 3.418 -8.891 1.00 0.00 N ATOM 1445 CA LEU A 98 -6.066 2.952 -8.136 1.00 0.00 C ATOM 1446 C LEU A 98 -5.428 1.741 -8.809 1.00 0.00 C ATOM 1447 O LEU A 98 -6.063 0.698 -8.961 1.00 0.00 O ATOM 1448 CB LEU A 98 -6.473 2.599 -6.705 1.00 0.00 C ATOM 1449 CG LEU A 98 -5.378 2.721 -5.645 1.00 0.00 C ATOM 1450 CD1 LEU A 98 -4.158 1.904 -6.043 1.00 0.00 C ATOM 1451 CD2 LEU A 98 -4.999 4.180 -5.434 1.00 0.00 C ATOM 0 H LEU A 98 -8.117 3.047 -8.565 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.333 3.758 -8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.304 3.243 -6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.846 1.575 -6.697 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.764 2.327 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.389 2.002 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.439 0.856 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.771 2.268 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.218 4.247 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.632 4.600 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.874 4.739 -5.104 1.00 0.00 H new ATOM 1463 N MET A 99 -4.168 1.886 -9.207 1.00 0.00 N ATOM 1464 CA MET A 99 -3.444 0.802 -9.860 1.00 0.00 C ATOM 1465 C MET A 99 -2.203 0.418 -9.060 1.00 0.00 C ATOM 1466 O MET A 99 -1.488 1.283 -8.551 1.00 0.00 O ATOM 1467 CB MET A 99 -3.044 1.210 -11.279 1.00 0.00 C ATOM 1468 CG MET A 99 -4.193 1.156 -12.273 1.00 0.00 C ATOM 1469 SD MET A 99 -4.018 2.362 -13.602 1.00 0.00 S ATOM 1470 CE MET A 99 -3.941 1.284 -15.030 1.00 0.00 C ATOM 0 H MET A 99 -3.628 2.743 -9.089 1.00 0.00 H new ATOM 0 HA MET A 99 -4.104 -0.064 -9.911 1.00 0.00 H new ATOM 0 HB2 MET A 99 -2.640 2.222 -11.257 1.00 0.00 H new ATOM 0 HB3 MET A 99 -2.244 0.555 -11.625 1.00 0.00 H new ATOM 0 HG2 MET A 99 -4.251 0.155 -12.701 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.131 1.333 -11.748 1.00 0.00 H new ATOM 0 HE1 MET A 99 -4.222 1.842 -15.923 1.00 0.00 H new ATOM 0 HE2 MET A 99 -2.926 0.904 -15.144 1.00 0.00 H new ATOM 0 HE3 MET A 99 -4.628 0.449 -14.893 1.00 0.00 H new ATOM 1480 N LEU A 100 -1.953 -0.882 -8.952 1.00 0.00 N ATOM 1481 CA LEU A 100 -0.798 -1.380 -8.213 1.00 0.00 C ATOM 1482 C LEU A 100 -0.102 -2.499 -8.981 1.00 0.00 C ATOM 1483 O LEU A 100 -0.749 -3.426 -9.471 1.00 0.00 O ATOM 1484 CB LEU A 100 -1.228 -1.883 -6.834 1.00 0.00 C ATOM 1485 CG LEU A 100 -1.975 -0.878 -5.956 1.00 0.00 C ATOM 1486 CD1 LEU A 100 -2.930 -1.597 -5.016 1.00 0.00 C ATOM 1487 CD2 LEU A 100 -0.992 -0.024 -5.169 1.00 0.00 C ATOM 0 H LEU A 100 -2.534 -1.610 -9.367 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.094 -0.557 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.863 -2.758 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.339 -2.214 -6.297 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.559 -0.223 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.453 -0.866 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.655 -2.165 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.367 -2.276 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.541 0.685 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.382 -0.665 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.348 0.520 -5.860 1.00 0.00 H new ATOM 1499 N LEU A 101 1.219 -2.408 -9.081 1.00 0.00 N ATOM 1500 CA LEU A 101 2.005 -3.415 -9.787 1.00 0.00 C ATOM 1501 C LEU A 101 2.623 -4.408 -8.809 1.00 0.00 C ATOM 1502 O LEU A 101 3.651 -4.129 -8.191 1.00 0.00 O ATOM 1503 CB LEU A 101 3.103 -2.745 -10.614 1.00 0.00 C ATOM 1504 CG LEU A 101 3.626 -3.544 -11.808 1.00 0.00 C ATOM 1505 CD1 LEU A 101 2.527 -3.742 -12.841 1.00 0.00 C ATOM 1506 CD2 LEU A 101 4.827 -2.848 -12.432 1.00 0.00 C ATOM 0 H LEU A 101 1.769 -1.647 -8.682 1.00 0.00 H new ATOM 0 HA LEU A 101 1.337 -3.960 -10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.724 -1.791 -10.979 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.942 -2.523 -9.955 1.00 0.00 H new ATOM 0 HG LEU A 101 3.944 -4.524 -11.453 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.918 -4.313 -13.683 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.697 -4.285 -12.389 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.178 -2.771 -13.192 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.185 -3.431 -13.280 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.535 -1.854 -12.772 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.622 -2.759 -11.691 1.00 0.00 H new ATOM 1518 N VAL A 102 1.991 -5.570 -8.674 1.00 0.00 N ATOM 1519 CA VAL A 102 2.481 -6.606 -7.773 1.00 0.00 C ATOM 1520 C VAL A 102 3.129 -7.747 -8.549 1.00 0.00 C ATOM 1521 O VAL A 102 2.761 -8.022 -9.692 1.00 0.00 O ATOM 1522 CB VAL A 102 1.346 -7.173 -6.900 1.00 0.00 C ATOM 1523 CG1 VAL A 102 0.689 -6.064 -6.092 1.00 0.00 C ATOM 1524 CG2 VAL A 102 0.321 -7.895 -7.761 1.00 0.00 C ATOM 0 H VAL A 102 1.139 -5.817 -9.177 1.00 0.00 H new ATOM 0 HA VAL A 102 3.226 -6.139 -7.129 1.00 0.00 H new ATOM 0 HB VAL A 102 1.773 -7.894 -6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.111 -6.483 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.432 -5.596 -5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.275 -5.317 -6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.474 -8.289 -7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.103 -7.198 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.804 -8.716 -8.290 1.00 0.00 H new ATOM 1534 N ARG A 103 4.094 -8.410 -7.921 1.00 0.00 N ATOM 1535 CA ARG A 103 4.794 -9.522 -8.553 1.00 0.00 C ATOM 1536 C ARG A 103 4.089 -10.844 -8.263 1.00 0.00 C ATOM 1537 O ARG A 103 3.714 -11.139 -7.128 1.00 0.00 O ATOM 1538 CB ARG A 103 6.242 -9.585 -8.064 1.00 0.00 C ATOM 1539 CG ARG A 103 7.190 -8.693 -8.848 1.00 0.00 C ATOM 1540 CD ARG A 103 7.752 -9.411 -10.065 1.00 0.00 C ATOM 1541 NE ARG A 103 8.605 -10.536 -9.691 1.00 0.00 N ATOM 1542 CZ ARG A 103 9.540 -11.045 -10.485 1.00 0.00 C ATOM 1543 NH1 ARG A 103 9.741 -10.533 -11.691 1.00 0.00 N ATOM 1544 NH2 ARG A 103 10.276 -12.070 -10.074 1.00 0.00 N ATOM 0 H ARG A 103 4.409 -8.197 -6.975 1.00 0.00 H new ATOM 0 HA ARG A 103 4.789 -9.357 -9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.274 -9.299 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.592 -10.615 -8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.665 -7.792 -9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.008 -8.374 -8.203 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.931 -9.769 -10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.324 -8.707 -10.669 1.00 0.00 H new ATOM 0 HE ARG A 103 8.476 -10.954 -8.769 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.177 -9.746 -12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.460 -10.926 -12.299 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.124 -12.468 -9.147 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.994 -12.460 -10.685 1.00 0.00 H new ATOM 1558 N PRO A 104 3.903 -11.659 -9.312 1.00 0.00 N ATOM 1559 CA PRO A 104 3.242 -12.962 -9.194 1.00 0.00 C ATOM 1560 C PRO A 104 4.090 -13.975 -8.433 1.00 0.00 C ATOM 1561 O PRO A 104 5.229 -14.251 -8.807 1.00 0.00 O ATOM 1562 CB PRO A 104 3.063 -13.401 -10.650 1.00 0.00 C ATOM 1563 CG PRO A 104 4.136 -12.687 -11.396 1.00 0.00 C ATOM 1564 CD PRO A 104 4.324 -11.371 -10.693 1.00 0.00 C ATOM 0 HA PRO A 104 2.308 -12.897 -8.636 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.162 -14.482 -10.753 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.075 -13.134 -11.025 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.061 -13.264 -11.397 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.853 -12.536 -12.438 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.361 -11.037 -10.736 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.717 -10.585 -11.142 1.00 0.00 H new