USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 545 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 30 GLN : amide:sc= -0.581 K(o=-1.1,f=-4.8) USER MOD Set 1.2: A 73 ASN : amide:sc= -0.523 X(o=-1.1,f=-1.1) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -147:sc= -0.898 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.3!) USER MOD Single : A 27 CYS SG : rot -170:sc= -0.0596 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc=-0.00416 (180deg=-0.163) USER MOD Single : A 32 ASN : amide:sc= -0.323 K(o=-0.32,f=-1.7!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.181 USER MOD Single : A 44 ASN : amide:sc= -0.865 K(o=-0.87,f=-4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 168:sc=-0.00812 (180deg=-0.134) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.727 K(o=-0.73,f=-0.076) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -3.32 K(o=-3.3,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= -0.0188 (180deg=-0.225) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N VAL A 10 3.854 -21.750 -24.855 1.00 0.00 N ATOM 198 CA VAL A 10 3.296 -20.403 -24.880 1.00 0.00 C ATOM 199 C VAL A 10 3.574 -19.669 -23.573 1.00 0.00 C ATOM 200 O VAL A 10 3.790 -20.277 -22.525 1.00 0.00 O ATOM 201 CB VAL A 10 1.776 -20.430 -25.128 1.00 0.00 C ATOM 202 CG1 VAL A 10 1.479 -20.672 -26.600 1.00 0.00 C ATOM 203 CG2 VAL A 10 1.114 -21.490 -24.261 1.00 0.00 C ATOM 0 HA VAL A 10 3.781 -19.874 -25.700 1.00 0.00 H new ATOM 0 HB VAL A 10 1.363 -19.459 -24.854 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.400 -20.688 -26.756 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.920 -19.873 -27.196 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.904 -21.629 -26.904 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.040 -21.495 -24.449 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.529 -22.469 -24.502 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.297 -21.267 -23.210 1.00 0.00 H new ATOM 213 N PRO A 11 3.568 -18.329 -23.634 1.00 0.00 N ATOM 214 CA PRO A 11 3.816 -17.482 -22.464 1.00 0.00 C ATOM 215 C PRO A 11 2.675 -17.539 -21.454 1.00 0.00 C ATOM 216 O PRO A 11 1.661 -18.199 -21.686 1.00 0.00 O ATOM 217 CB PRO A 11 3.933 -16.077 -23.061 1.00 0.00 C ATOM 218 CG PRO A 11 3.150 -16.138 -24.327 1.00 0.00 C ATOM 219 CD PRO A 11 3.317 -17.538 -24.851 1.00 0.00 C ATOM 0 HA PRO A 11 4.700 -17.800 -21.911 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.532 -15.324 -22.383 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.973 -15.813 -23.251 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.099 -15.912 -24.147 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.515 -15.406 -25.047 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.425 -17.880 -25.376 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.147 -17.608 -25.554 1.00 0.00 H new ATOM 227 N ARG A 12 2.846 -16.843 -20.335 1.00 0.00 N ATOM 228 CA ARG A 12 1.829 -16.815 -19.290 1.00 0.00 C ATOM 229 C ARG A 12 1.337 -15.392 -19.048 1.00 0.00 C ATOM 230 O ARG A 12 2.119 -14.502 -18.715 1.00 0.00 O ATOM 231 CB ARG A 12 2.387 -17.401 -17.991 1.00 0.00 C ATOM 232 CG ARG A 12 1.321 -17.995 -17.084 1.00 0.00 C ATOM 233 CD ARG A 12 0.763 -16.954 -16.126 1.00 0.00 C ATOM 234 NE ARG A 12 1.593 -16.808 -14.933 1.00 0.00 N ATOM 235 CZ ARG A 12 1.294 -15.996 -13.925 1.00 0.00 C ATOM 236 NH1 ARG A 12 0.191 -15.261 -13.966 1.00 0.00 N ATOM 237 NH2 ARG A 12 2.099 -15.919 -12.873 1.00 0.00 N ATOM 0 H ARG A 12 3.679 -16.291 -20.128 1.00 0.00 H new ATOM 0 HA ARG A 12 0.986 -17.421 -19.622 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.117 -18.173 -18.235 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.919 -16.619 -17.449 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.513 -18.404 -17.690 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.745 -18.824 -16.517 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.690 -15.994 -16.637 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.248 -17.237 -15.832 1.00 0.00 H new ATOM 0 HE ARG A 12 2.449 -17.360 -14.870 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.430 -15.318 -14.773 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.036 -14.638 -13.191 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.948 -16.483 -12.838 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.869 -15.295 -12.099 1.00 0.00 H new ATOM 251 N GLY A 13 0.035 -15.184 -19.218 1.00 0.00 N ATOM 252 CA GLY A 13 -0.539 -13.867 -19.015 1.00 0.00 C ATOM 253 C GLY A 13 -2.047 -13.908 -18.863 1.00 0.00 C ATOM 254 O GLY A 13 -2.748 -14.465 -19.708 1.00 0.00 O ATOM 0 H GLY A 13 -0.633 -15.904 -19.493 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.100 -13.416 -18.125 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.279 -13.227 -19.858 1.00 0.00 H new ATOM 258 N SER A 14 -2.548 -13.319 -17.782 1.00 0.00 N ATOM 259 CA SER A 14 -3.982 -13.296 -17.518 1.00 0.00 C ATOM 260 C SER A 14 -4.449 -11.884 -17.177 1.00 0.00 C ATOM 261 O SER A 14 -5.432 -11.700 -16.458 1.00 0.00 O ATOM 262 CB SER A 14 -4.327 -14.251 -16.374 1.00 0.00 C ATOM 263 OG SER A 14 -4.196 -15.602 -16.780 1.00 0.00 O ATOM 0 H SER A 14 -1.982 -12.851 -17.074 1.00 0.00 H new ATOM 0 HA SER A 14 -4.498 -13.622 -18.421 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.671 -14.058 -15.525 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.347 -14.067 -16.037 1.00 0.00 H new ATOM 0 HG SER A 14 -4.420 -16.192 -16.030 1.00 0.00 H new ATOM 269 N HIS A 15 -3.736 -10.890 -17.697 1.00 0.00 N ATOM 270 CA HIS A 15 -4.077 -9.494 -17.448 1.00 0.00 C ATOM 271 C HIS A 15 -4.455 -8.787 -18.746 1.00 0.00 C ATOM 272 O HIS A 15 -5.347 -7.939 -18.765 1.00 0.00 O ATOM 273 CB HIS A 15 -2.905 -8.771 -16.783 1.00 0.00 C ATOM 274 CG HIS A 15 -2.389 -9.466 -15.561 1.00 0.00 C ATOM 275 ND1 HIS A 15 -1.122 -10.005 -15.480 1.00 0.00 N ATOM 276 CD2 HIS A 15 -2.976 -9.706 -14.365 1.00 0.00 C ATOM 277 CE1 HIS A 15 -0.953 -10.549 -14.288 1.00 0.00 C ATOM 278 NE2 HIS A 15 -2.063 -10.380 -13.592 1.00 0.00 N ATOM 0 H HIS A 15 -2.919 -11.025 -18.293 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.936 -9.470 -16.778 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.094 -8.671 -17.504 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.217 -7.762 -16.513 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.976 -9.421 -14.073 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.060 -11.047 -13.942 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.217 -10.699 -12.635 1.00 0.00 H new ATOM 286 N MET A 16 -3.771 -9.143 -19.829 1.00 0.00 N ATOM 287 CA MET A 16 -4.037 -8.542 -21.131 1.00 0.00 C ATOM 288 C MET A 16 -4.844 -9.490 -22.012 1.00 0.00 C ATOM 289 O MET A 16 -4.843 -10.703 -21.799 1.00 0.00 O ATOM 290 CB MET A 16 -2.723 -8.176 -21.825 1.00 0.00 C ATOM 291 CG MET A 16 -1.834 -7.261 -20.999 1.00 0.00 C ATOM 292 SD MET A 16 -0.085 -7.451 -21.392 1.00 0.00 S ATOM 293 CE MET A 16 0.373 -8.769 -20.269 1.00 0.00 C ATOM 0 H MET A 16 -3.030 -9.844 -19.831 1.00 0.00 H new ATOM 0 HA MET A 16 -4.621 -7.635 -20.973 1.00 0.00 H new ATOM 0 HB2 MET A 16 -2.176 -9.090 -22.054 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.946 -7.691 -22.775 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.130 -6.225 -21.167 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.989 -7.469 -19.940 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.431 -9.002 -20.393 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.189 -8.453 -19.242 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.222 -9.656 -20.487 1.00 0.00 H new ATOM 303 N SER A 17 -5.531 -8.930 -23.002 1.00 0.00 N ATOM 304 CA SER A 17 -6.346 -9.725 -23.913 1.00 0.00 C ATOM 305 C SER A 17 -6.221 -9.211 -25.344 1.00 0.00 C ATOM 306 O SER A 17 -6.370 -8.016 -25.602 1.00 0.00 O ATOM 307 CB SER A 17 -7.812 -9.699 -23.476 1.00 0.00 C ATOM 308 OG SER A 17 -8.406 -8.444 -23.760 1.00 0.00 O ATOM 0 H SER A 17 -5.540 -7.928 -23.194 1.00 0.00 H new ATOM 0 HA SER A 17 -5.983 -10.752 -23.881 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.361 -10.489 -23.988 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.880 -9.904 -22.408 1.00 0.00 H new ATOM 0 HG SER A 17 -9.077 -8.237 -23.076 1.00 0.00 H new ATOM 314 N VAL A 18 -5.945 -10.122 -26.272 1.00 0.00 N ATOM 315 CA VAL A 18 -5.800 -9.762 -27.678 1.00 0.00 C ATOM 316 C VAL A 18 -7.161 -9.611 -28.349 1.00 0.00 C ATOM 317 O VAL A 18 -7.324 -8.813 -29.272 1.00 0.00 O ATOM 318 CB VAL A 18 -4.976 -10.813 -28.444 1.00 0.00 C ATOM 319 CG1 VAL A 18 -4.952 -10.493 -29.931 1.00 0.00 C ATOM 320 CG2 VAL A 18 -3.563 -10.893 -27.885 1.00 0.00 C ATOM 0 H VAL A 18 -5.817 -11.115 -26.076 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.275 -8.807 -27.708 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.450 -11.786 -28.314 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.365 -11.247 -30.456 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.971 -10.491 -30.319 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.503 -9.512 -30.085 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.995 -11.641 -28.438 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.077 -9.922 -27.983 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.603 -11.173 -26.832 1.00 0.00 H new ATOM 330 N ASP A 19 -8.135 -10.382 -27.879 1.00 0.00 N ATOM 331 CA ASP A 19 -9.483 -10.333 -28.433 1.00 0.00 C ATOM 332 C ASP A 19 -10.099 -8.950 -28.242 1.00 0.00 C ATOM 333 O ASP A 19 -11.085 -8.604 -28.894 1.00 0.00 O ATOM 334 CB ASP A 19 -10.367 -11.394 -27.775 1.00 0.00 C ATOM 335 CG ASP A 19 -11.688 -11.575 -28.495 1.00 0.00 C ATOM 336 OD1 ASP A 19 -11.710 -12.281 -29.525 1.00 0.00 O ATOM 337 OD2 ASP A 19 -12.701 -11.011 -28.030 1.00 0.00 O ATOM 0 H ASP A 19 -8.016 -11.048 -27.116 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.418 -10.538 -29.502 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.834 -12.345 -27.755 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.557 -11.113 -26.739 1.00 0.00 H new ATOM 342 N ASP A 20 -9.513 -8.166 -27.345 1.00 0.00 N ATOM 343 CA ASP A 20 -10.004 -6.821 -27.069 1.00 0.00 C ATOM 344 C ASP A 20 -9.173 -5.776 -27.808 1.00 0.00 C ATOM 345 O ASP A 20 -9.102 -4.619 -27.394 1.00 0.00 O ATOM 346 CB ASP A 20 -9.974 -6.543 -25.565 1.00 0.00 C ATOM 347 CG ASP A 20 -10.956 -7.406 -24.797 1.00 0.00 C ATOM 348 OD1 ASP A 20 -11.537 -8.329 -25.406 1.00 0.00 O ATOM 349 OD2 ASP A 20 -11.143 -7.159 -23.588 1.00 0.00 O ATOM 0 H ASP A 20 -8.697 -8.438 -26.796 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.033 -6.757 -27.423 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.967 -6.718 -25.186 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.203 -5.492 -25.388 1.00 0.00 H new ATOM 354 N ILE A 21 -8.547 -6.193 -28.903 1.00 0.00 N ATOM 355 CA ILE A 21 -7.721 -5.293 -29.699 1.00 0.00 C ATOM 356 C ILE A 21 -8.347 -5.039 -31.067 1.00 0.00 C ATOM 357 O ILE A 21 -8.905 -5.947 -31.684 1.00 0.00 O ATOM 358 CB ILE A 21 -6.301 -5.856 -29.894 1.00 0.00 C ATOM 359 CG1 ILE A 21 -5.628 -6.081 -28.538 1.00 0.00 C ATOM 360 CG2 ILE A 21 -5.471 -4.915 -30.754 1.00 0.00 C ATOM 361 CD1 ILE A 21 -4.222 -6.629 -28.645 1.00 0.00 C ATOM 0 H ILE A 21 -8.596 -7.147 -29.259 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.658 -4.354 -29.150 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.373 -6.815 -30.407 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.601 -5.137 -27.994 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.234 -6.770 -27.950 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.470 -5.327 -30.882 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.944 -4.801 -31.729 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.403 -3.942 -30.267 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.807 -6.763 -27.646 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.244 -7.589 -29.161 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.601 -5.930 -29.205 1.00 0.00 H new ATOM 373 N ILE A 22 -8.249 -3.800 -31.535 1.00 0.00 N ATOM 374 CA ILE A 22 -8.803 -3.427 -32.830 1.00 0.00 C ATOM 375 C ILE A 22 -7.696 -3.117 -33.833 1.00 0.00 C ATOM 376 O ILE A 22 -6.513 -3.300 -33.543 1.00 0.00 O ATOM 377 CB ILE A 22 -9.732 -2.205 -32.715 1.00 0.00 C ATOM 378 CG1 ILE A 22 -8.928 -0.959 -32.337 1.00 0.00 C ATOM 379 CG2 ILE A 22 -10.826 -2.466 -31.690 1.00 0.00 C ATOM 380 CD1 ILE A 22 -9.772 0.290 -32.213 1.00 0.00 C ATOM 0 H ILE A 22 -7.791 -3.037 -31.037 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.382 -4.281 -33.183 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.201 -2.032 -33.683 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.418 -1.139 -31.390 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.156 -0.793 -33.088 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.475 -1.593 -31.620 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.414 -3.331 -31.997 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.374 -2.661 -30.717 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.136 1.133 -31.943 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.261 0.495 -33.165 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.528 0.143 -31.441 1.00 0.00 H new ATOM 392 N ILE A 23 -8.088 -2.645 -35.011 1.00 0.00 N ATOM 393 CA ILE A 23 -7.129 -2.306 -36.055 1.00 0.00 C ATOM 394 C ILE A 23 -6.808 -0.816 -36.044 1.00 0.00 C ATOM 395 O ILE A 23 -7.632 0.006 -35.642 1.00 0.00 O ATOM 396 CB ILE A 23 -7.653 -2.696 -37.450 1.00 0.00 C ATOM 397 CG1 ILE A 23 -8.199 -4.126 -37.432 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.550 -2.558 -38.488 1.00 0.00 C ATOM 399 CD1 ILE A 23 -7.168 -5.161 -37.041 1.00 0.00 C ATOM 0 H ILE A 23 -9.063 -2.489 -35.267 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.222 -2.873 -35.845 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.465 -2.020 -37.719 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.036 -4.178 -36.736 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.590 -4.370 -38.420 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.936 -2.837 -39.468 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.203 -1.525 -38.515 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.719 -3.213 -38.225 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.625 -6.151 -37.049 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.341 -5.137 -37.751 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.794 -4.942 -36.041 1.00 0.00 H new ATOM 411 N LYS A 24 -5.604 -0.472 -36.490 1.00 0.00 N ATOM 412 CA LYS A 24 -5.173 0.920 -36.535 1.00 0.00 C ATOM 413 C LYS A 24 -5.226 1.551 -35.148 1.00 0.00 C ATOM 414 O LYS A 24 -5.729 2.663 -34.980 1.00 0.00 O ATOM 415 CB LYS A 24 -6.051 1.716 -37.503 1.00 0.00 C ATOM 416 CG LYS A 24 -5.678 1.522 -38.963 1.00 0.00 C ATOM 417 CD LYS A 24 -6.866 1.766 -39.879 1.00 0.00 C ATOM 418 CE LYS A 24 -7.084 3.251 -40.125 1.00 0.00 C ATOM 419 NZ LYS A 24 -8.198 3.497 -41.082 1.00 0.00 N ATOM 0 H LYS A 24 -4.909 -1.139 -36.826 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.141 0.944 -36.886 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.091 1.424 -37.361 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.981 2.775 -37.256 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.868 2.203 -39.226 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.304 0.509 -39.113 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.704 1.259 -40.830 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.763 1.334 -39.436 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.301 3.748 -39.179 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.167 3.693 -40.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.315 4.521 -41.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.980 3.045 -41.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.079 3.098 -40.700 1.00 0.00 H new ATOM 433 N CYS A 25 -4.703 0.837 -34.158 1.00 0.00 N ATOM 434 CA CYS A 25 -4.690 1.328 -32.784 1.00 0.00 C ATOM 435 C CYS A 25 -3.264 1.601 -32.318 1.00 0.00 C ATOM 436 O CYS A 25 -2.304 1.081 -32.888 1.00 0.00 O ATOM 437 CB CYS A 25 -5.359 0.316 -31.853 1.00 0.00 C ATOM 438 SG CYS A 25 -6.091 1.049 -30.371 1.00 0.00 S ATOM 0 H CYS A 25 -4.282 -0.084 -34.281 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.248 2.264 -32.753 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.136 -0.212 -32.406 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.621 -0.427 -31.551 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.634 0.115 -29.648 1.00 0.00 H new ATOM 444 N GLN A 26 -3.133 2.420 -31.280 1.00 0.00 N ATOM 445 CA GLN A 26 -1.823 2.764 -30.739 1.00 0.00 C ATOM 446 C GLN A 26 -1.420 1.795 -29.632 1.00 0.00 C ATOM 447 O GLN A 26 -2.137 1.633 -28.644 1.00 0.00 O ATOM 448 CB GLN A 26 -1.829 4.196 -30.202 1.00 0.00 C ATOM 449 CG GLN A 26 -2.819 4.417 -29.069 1.00 0.00 C ATOM 450 CD GLN A 26 -3.410 5.813 -29.075 1.00 0.00 C ATOM 451 OE1 GLN A 26 -3.066 6.642 -29.919 1.00 0.00 O ATOM 452 NE2 GLN A 26 -4.305 6.081 -28.132 1.00 0.00 N ATOM 0 H GLN A 26 -3.917 2.858 -30.797 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.094 2.689 -31.546 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.828 4.448 -29.853 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.064 4.880 -31.017 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.623 3.686 -29.147 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.320 4.242 -28.116 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.561 5.364 -27.453 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.737 7.004 -28.087 1.00 0.00 H new ATOM 461 N CYS A 27 -0.269 1.154 -29.803 1.00 0.00 N ATOM 462 CA CYS A 27 0.229 0.200 -28.819 1.00 0.00 C ATOM 463 C CYS A 27 1.597 0.624 -28.294 1.00 0.00 C ATOM 464 O CYS A 27 2.543 0.789 -29.064 1.00 0.00 O ATOM 465 CB CYS A 27 0.315 -1.198 -29.431 1.00 0.00 C ATOM 466 SG CYS A 27 -1.170 -2.202 -29.193 1.00 0.00 S ATOM 0 H CYS A 27 0.337 1.278 -30.614 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.470 0.180 -27.983 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.509 -1.104 -30.499 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.167 -1.721 -28.997 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.929 -3.427 -29.556 1.00 0.00 H new ATOM 472 N TRP A 28 1.692 0.800 -26.982 1.00 0.00 N ATOM 473 CA TRP A 28 2.945 1.207 -26.354 1.00 0.00 C ATOM 474 C TRP A 28 3.919 0.037 -26.275 1.00 0.00 C ATOM 475 O TRP A 28 3.609 -1.003 -25.693 1.00 0.00 O ATOM 476 CB TRP A 28 2.681 1.763 -24.954 1.00 0.00 C ATOM 477 CG TRP A 28 2.385 3.233 -24.945 1.00 0.00 C ATOM 478 CD1 TRP A 28 1.164 3.822 -24.786 1.00 0.00 C ATOM 479 CD2 TRP A 28 3.329 4.297 -25.102 1.00 0.00 C ATOM 480 NE1 TRP A 28 1.291 5.189 -24.836 1.00 0.00 N ATOM 481 CE2 TRP A 28 2.610 5.506 -25.027 1.00 0.00 C ATOM 482 CE3 TRP A 28 4.712 4.348 -25.296 1.00 0.00 C ATOM 483 CZ2 TRP A 28 3.228 6.748 -25.142 1.00 0.00 C ATOM 484 CZ3 TRP A 28 5.325 5.581 -25.409 1.00 0.00 C ATOM 485 CH2 TRP A 28 4.584 6.768 -25.331 1.00 0.00 C ATOM 0 H TRP A 28 0.918 0.668 -26.332 1.00 0.00 H new ATOM 0 HA TRP A 28 3.394 1.988 -26.968 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.841 1.228 -24.511 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.550 1.571 -24.325 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.234 3.291 -24.642 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.527 5.859 -24.746 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.292 3.439 -25.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.658 7.664 -25.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.393 5.631 -25.560 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.092 7.717 -25.422 1.00 0.00 H new ATOM 496 N VAL A 29 5.098 0.213 -26.863 1.00 0.00 N ATOM 497 CA VAL A 29 6.119 -0.828 -26.857 1.00 0.00 C ATOM 498 C VAL A 29 7.175 -0.556 -25.792 1.00 0.00 C ATOM 499 O VAL A 29 7.946 0.398 -25.898 1.00 0.00 O ATOM 500 CB VAL A 29 6.807 -0.947 -28.229 1.00 0.00 C ATOM 501 CG1 VAL A 29 7.744 -2.145 -28.255 1.00 0.00 C ATOM 502 CG2 VAL A 29 5.771 -1.047 -29.338 1.00 0.00 C ATOM 0 H VAL A 29 5.370 1.067 -27.350 1.00 0.00 H new ATOM 0 HA VAL A 29 5.613 -1.766 -26.631 1.00 0.00 H new ATOM 0 HB VAL A 29 7.400 -0.048 -28.397 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.221 -2.213 -29.233 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.508 -2.027 -27.486 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.176 -3.056 -28.065 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.275 -1.130 -30.301 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.149 -1.928 -29.177 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.145 -0.155 -29.333 1.00 0.00 H new ATOM 512 N GLN A 30 7.205 -1.401 -24.766 1.00 0.00 N ATOM 513 CA GLN A 30 8.168 -1.251 -23.681 1.00 0.00 C ATOM 514 C GLN A 30 9.369 -2.167 -23.889 1.00 0.00 C ATOM 515 O GLN A 30 9.283 -3.378 -23.680 1.00 0.00 O ATOM 516 CB GLN A 30 7.505 -1.556 -22.337 1.00 0.00 C ATOM 517 CG GLN A 30 6.823 -0.352 -21.708 1.00 0.00 C ATOM 518 CD GLN A 30 5.700 -0.742 -20.768 1.00 0.00 C ATOM 519 OE1 GLN A 30 5.489 -1.923 -20.490 1.00 0.00 O ATOM 520 NE2 GLN A 30 4.970 0.251 -20.272 1.00 0.00 N ATOM 0 H GLN A 30 6.574 -2.196 -24.663 1.00 0.00 H new ATOM 0 HA GLN A 30 8.518 -0.219 -23.679 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.769 -2.348 -22.476 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.258 -1.937 -21.648 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.562 0.235 -21.162 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.426 0.289 -22.496 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.179 1.216 -20.529 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.200 0.049 -19.634 1.00 0.00 H new ATOM 529 N LYS A 31 10.489 -1.583 -24.301 1.00 0.00 N ATOM 530 CA LYS A 31 11.709 -2.346 -24.537 1.00 0.00 C ATOM 531 C LYS A 31 12.407 -2.675 -23.221 1.00 0.00 C ATOM 532 O LYS A 31 12.101 -2.092 -22.182 1.00 0.00 O ATOM 533 CB LYS A 31 12.657 -1.562 -25.447 1.00 0.00 C ATOM 534 CG LYS A 31 11.979 -0.984 -26.678 1.00 0.00 C ATOM 535 CD LYS A 31 11.385 -2.076 -27.552 1.00 0.00 C ATOM 536 CE LYS A 31 10.867 -1.517 -28.868 1.00 0.00 C ATOM 537 NZ LYS A 31 11.976 -1.072 -29.756 1.00 0.00 N ATOM 0 H LYS A 31 10.577 -0.582 -24.479 1.00 0.00 H new ATOM 0 HA LYS A 31 11.435 -3.280 -25.027 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.107 -0.750 -24.876 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.468 -2.217 -25.763 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.193 -0.294 -26.371 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.702 -0.407 -27.255 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.141 -2.836 -27.751 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.571 -2.568 -27.019 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.276 -2.278 -29.378 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.202 -0.677 -28.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.608 -0.906 -30.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.386 -0.191 -29.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.710 -1.808 -29.790 1.00 0.00 H new ATOM 551 N ASN A 32 13.348 -3.612 -23.274 1.00 0.00 N ATOM 552 CA ASN A 32 14.090 -4.018 -22.086 1.00 0.00 C ATOM 553 C ASN A 32 14.676 -2.805 -21.370 1.00 0.00 C ATOM 554 O ASN A 32 14.516 -2.648 -20.160 1.00 0.00 O ATOM 555 CB ASN A 32 15.210 -4.989 -22.466 1.00 0.00 C ATOM 556 CG ASN A 32 15.786 -5.707 -21.261 1.00 0.00 C ATOM 557 OD1 ASN A 32 15.882 -5.139 -20.173 1.00 0.00 O ATOM 558 ND2 ASN A 32 16.173 -6.963 -21.450 1.00 0.00 N ATOM 0 H ASN A 32 13.615 -4.104 -24.127 1.00 0.00 H new ATOM 0 HA ASN A 32 13.398 -4.519 -21.409 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.826 -5.724 -23.174 1.00 0.00 H new ATOM 0 HB3 ASN A 32 16.005 -4.442 -22.974 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.568 -7.497 -20.676 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.075 -7.394 -22.369 1.00 0.00 H new ATOM 565 N ASP A 33 15.354 -1.949 -22.127 1.00 0.00 N ATOM 566 CA ASP A 33 15.963 -0.748 -21.565 1.00 0.00 C ATOM 567 C ASP A 33 15.646 0.473 -22.422 1.00 0.00 C ATOM 568 O ASP A 33 16.350 1.481 -22.367 1.00 0.00 O ATOM 569 CB ASP A 33 17.478 -0.925 -21.449 1.00 0.00 C ATOM 570 CG ASP A 33 18.117 0.125 -20.562 1.00 0.00 C ATOM 571 OD1 ASP A 33 17.714 0.233 -19.385 1.00 0.00 O ATOM 572 OD2 ASP A 33 19.020 0.841 -21.045 1.00 0.00 O ATOM 0 H ASP A 33 15.496 -2.064 -23.131 1.00 0.00 H new ATOM 0 HA ASP A 33 15.546 -0.590 -20.570 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.696 -1.915 -21.049 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.924 -0.877 -22.443 1.00 0.00 H new ATOM 577 N GLU A 34 14.582 0.375 -23.213 1.00 0.00 N ATOM 578 CA GLU A 34 14.173 1.472 -24.083 1.00 0.00 C ATOM 579 C GLU A 34 12.654 1.614 -24.103 1.00 0.00 C ATOM 580 O GLU A 34 11.936 0.781 -23.551 1.00 0.00 O ATOM 581 CB GLU A 34 14.694 1.247 -25.504 1.00 0.00 C ATOM 582 CG GLU A 34 16.131 1.699 -25.704 1.00 0.00 C ATOM 583 CD GLU A 34 16.430 2.071 -27.143 1.00 0.00 C ATOM 584 OE1 GLU A 34 15.633 1.698 -28.030 1.00 0.00 O ATOM 585 OE2 GLU A 34 17.460 2.736 -27.383 1.00 0.00 O ATOM 0 H GLU A 34 13.988 -0.452 -23.269 1.00 0.00 H new ATOM 0 HA GLU A 34 14.601 2.393 -23.688 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.618 0.187 -25.746 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.053 1.781 -26.206 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.331 2.557 -25.062 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.806 0.902 -25.391 1.00 0.00 H new ATOM 592 N GLU A 35 12.173 2.675 -24.742 1.00 0.00 N ATOM 593 CA GLU A 35 10.740 2.927 -24.832 1.00 0.00 C ATOM 594 C GLU A 35 10.364 3.445 -26.218 1.00 0.00 C ATOM 595 O GLU A 35 10.851 4.488 -26.655 1.00 0.00 O ATOM 596 CB GLU A 35 10.308 3.935 -23.765 1.00 0.00 C ATOM 597 CG GLU A 35 9.646 3.295 -22.556 1.00 0.00 C ATOM 598 CD GLU A 35 8.206 2.900 -22.820 1.00 0.00 C ATOM 599 OE1 GLU A 35 7.908 2.467 -23.953 1.00 0.00 O ATOM 600 OE2 GLU A 35 7.377 3.024 -21.894 1.00 0.00 O ATOM 0 H GLU A 35 12.754 3.374 -25.205 1.00 0.00 H new ATOM 0 HA GLU A 35 10.221 1.984 -24.662 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.181 4.499 -23.435 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.617 4.650 -24.211 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.213 2.412 -22.261 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.680 3.990 -21.717 1.00 0.00 H new ATOM 607 N ARG A 36 9.497 2.708 -26.904 1.00 0.00 N ATOM 608 CA ARG A 36 9.057 3.091 -28.240 1.00 0.00 C ATOM 609 C ARG A 36 7.565 2.828 -28.418 1.00 0.00 C ATOM 610 O ARG A 36 6.959 2.080 -27.648 1.00 0.00 O ATOM 611 CB ARG A 36 9.851 2.325 -29.300 1.00 0.00 C ATOM 612 CG ARG A 36 10.043 3.099 -30.594 1.00 0.00 C ATOM 613 CD ARG A 36 10.873 4.354 -30.375 1.00 0.00 C ATOM 614 NE ARG A 36 12.099 4.077 -29.632 1.00 0.00 N ATOM 615 CZ ARG A 36 12.865 5.022 -29.099 1.00 0.00 C ATOM 616 NH1 ARG A 36 12.532 6.299 -29.225 1.00 0.00 N ATOM 617 NH2 ARG A 36 13.966 4.690 -28.437 1.00 0.00 N ATOM 0 H ARG A 36 9.085 1.842 -26.557 1.00 0.00 H new ATOM 0 HA ARG A 36 9.237 4.159 -28.362 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.828 2.066 -28.893 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.339 1.388 -29.519 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.532 2.462 -31.331 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.070 3.372 -31.004 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.125 4.794 -31.340 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.280 5.091 -29.834 1.00 0.00 H new ATOM 0 HE ARG A 36 12.383 3.104 -29.516 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.686 6.558 -29.732 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.122 7.023 -28.815 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.225 3.708 -28.337 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.554 5.416 -28.028 1.00 0.00 H new ATOM 631 N LEU A 37 6.978 3.447 -29.436 1.00 0.00 N ATOM 632 CA LEU A 37 5.556 3.280 -29.715 1.00 0.00 C ATOM 633 C LEU A 37 5.341 2.641 -31.083 1.00 0.00 C ATOM 634 O LEU A 37 5.999 3.002 -32.058 1.00 0.00 O ATOM 635 CB LEU A 37 4.842 4.631 -29.653 1.00 0.00 C ATOM 636 CG LEU A 37 3.322 4.581 -29.492 1.00 0.00 C ATOM 637 CD1 LEU A 37 2.790 5.925 -29.019 1.00 0.00 C ATOM 638 CD2 LEU A 37 2.660 4.174 -30.801 1.00 0.00 C ATOM 0 H LEU A 37 7.464 4.069 -30.082 1.00 0.00 H new ATOM 0 HA LEU A 37 5.137 2.619 -28.956 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.257 5.201 -28.821 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.073 5.183 -30.564 1.00 0.00 H new ATOM 0 HG LEU A 37 3.081 3.832 -28.737 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.707 5.870 -28.910 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.239 6.176 -28.058 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.043 6.694 -29.749 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.579 4.144 -30.668 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.910 4.899 -31.576 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.017 3.188 -31.098 1.00 0.00 H new ATOM 650 N ALA A 38 4.414 1.690 -31.148 1.00 0.00 N ATOM 651 CA ALA A 38 4.109 1.004 -32.397 1.00 0.00 C ATOM 652 C ALA A 38 2.603 0.912 -32.620 1.00 0.00 C ATOM 653 O ALA A 38 1.831 0.815 -31.667 1.00 0.00 O ATOM 654 CB ALA A 38 4.730 -0.385 -32.401 1.00 0.00 C ATOM 0 H ALA A 38 3.861 1.378 -30.350 1.00 0.00 H new ATOM 0 HA ALA A 38 4.536 1.584 -33.215 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.494 -0.886 -33.340 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.812 -0.300 -32.297 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.330 -0.965 -31.570 1.00 0.00 H new ATOM 660 N GLU A 39 2.194 0.945 -33.884 1.00 0.00 N ATOM 661 CA GLU A 39 0.779 0.867 -34.230 1.00 0.00 C ATOM 662 C GLU A 39 0.409 -0.539 -34.692 1.00 0.00 C ATOM 663 O GLU A 39 1.256 -1.287 -35.181 1.00 0.00 O ATOM 664 CB GLU A 39 0.443 1.880 -35.327 1.00 0.00 C ATOM 665 CG GLU A 39 -0.888 2.583 -35.119 1.00 0.00 C ATOM 666 CD GLU A 39 -0.880 3.504 -33.914 1.00 0.00 C ATOM 667 OE1 GLU A 39 0.206 3.715 -33.335 1.00 0.00 O ATOM 668 OE2 GLU A 39 -1.960 4.014 -33.551 1.00 0.00 O ATOM 0 H GLU A 39 2.821 1.025 -34.685 1.00 0.00 H new ATOM 0 HA GLU A 39 0.200 1.102 -33.337 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.235 2.627 -35.375 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.428 1.369 -36.290 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.133 3.160 -36.011 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.673 1.837 -34.996 1.00 0.00 H new ATOM 675 N ILE A 40 -0.862 -0.893 -34.531 1.00 0.00 N ATOM 676 CA ILE A 40 -1.345 -2.208 -34.931 1.00 0.00 C ATOM 677 C ILE A 40 -2.050 -2.148 -36.282 1.00 0.00 C ATOM 678 O ILE A 40 -3.033 -1.425 -36.451 1.00 0.00 O ATOM 679 CB ILE A 40 -2.313 -2.795 -33.886 1.00 0.00 C ATOM 680 CG1 ILE A 40 -1.625 -2.897 -32.523 1.00 0.00 C ATOM 681 CG2 ILE A 40 -2.815 -4.159 -34.336 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.477 -3.881 -32.498 1.00 0.00 C ATOM 0 H ILE A 40 -1.575 -0.287 -34.126 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.471 -2.854 -35.008 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.170 -2.128 -33.791 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.255 -1.912 -32.237 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.361 -3.191 -31.775 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.498 -4.561 -33.587 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.338 -4.059 -35.287 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.970 -4.836 -34.456 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.037 -3.901 -31.501 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.844 -4.875 -32.753 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.279 -3.577 -33.222 1.00 0.00 H new ATOM 694 N LEU A 41 -1.543 -2.913 -37.243 1.00 0.00 N ATOM 695 CA LEU A 41 -2.125 -2.949 -38.580 1.00 0.00 C ATOM 696 C LEU A 41 -3.011 -4.178 -38.755 1.00 0.00 C ATOM 697 O LEU A 41 -3.930 -4.180 -39.574 1.00 0.00 O ATOM 698 CB LEU A 41 -1.020 -2.947 -39.638 1.00 0.00 C ATOM 699 CG LEU A 41 -0.289 -1.620 -39.843 1.00 0.00 C ATOM 700 CD1 LEU A 41 0.754 -1.750 -40.943 1.00 0.00 C ATOM 701 CD2 LEU A 41 -1.278 -0.511 -40.172 1.00 0.00 C ATOM 0 H LEU A 41 -0.730 -3.517 -37.121 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.742 -2.059 -38.706 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.285 -3.706 -39.368 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.456 -3.250 -40.590 1.00 0.00 H new ATOM 0 HG LEU A 41 0.221 -1.361 -38.915 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.264 -0.796 -41.075 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.480 -2.515 -40.667 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.266 -2.033 -41.876 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.740 0.426 -40.315 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.816 -0.763 -41.086 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.987 -0.401 -39.352 1.00 0.00 H new ATOM 713 N SER A 42 -2.730 -5.219 -37.979 1.00 0.00 N ATOM 714 CA SER A 42 -3.501 -6.455 -38.050 1.00 0.00 C ATOM 715 C SER A 42 -3.017 -7.458 -37.007 1.00 0.00 C ATOM 716 O SER A 42 -1.902 -7.349 -36.497 1.00 0.00 O ATOM 717 CB SER A 42 -3.397 -7.067 -39.448 1.00 0.00 C ATOM 718 OG SER A 42 -3.961 -8.366 -39.480 1.00 0.00 O ATOM 0 H SER A 42 -1.974 -5.232 -37.294 1.00 0.00 H new ATOM 0 HA SER A 42 -4.544 -6.215 -37.843 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.909 -6.427 -40.167 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.351 -7.114 -39.751 1.00 0.00 H new ATOM 0 HG SER A 42 -3.883 -8.734 -40.385 1.00 0.00 H new ATOM 724 N ILE A 43 -3.865 -8.433 -36.695 1.00 0.00 N ATOM 725 CA ILE A 43 -3.524 -9.455 -35.714 1.00 0.00 C ATOM 726 C ILE A 43 -3.962 -10.838 -36.186 1.00 0.00 C ATOM 727 O ILE A 43 -5.127 -11.051 -36.519 1.00 0.00 O ATOM 728 CB ILE A 43 -4.172 -9.163 -34.347 1.00 0.00 C ATOM 729 CG1 ILE A 43 -3.817 -7.748 -33.883 1.00 0.00 C ATOM 730 CG2 ILE A 43 -3.726 -10.191 -33.319 1.00 0.00 C ATOM 731 CD1 ILE A 43 -4.526 -7.334 -32.612 1.00 0.00 C ATOM 0 H ILE A 43 -4.792 -8.536 -37.107 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.440 -9.437 -35.604 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.255 -9.230 -34.452 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.740 -7.685 -33.726 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.065 -7.041 -34.675 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.192 -9.971 -32.359 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.024 -11.187 -33.647 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.642 -10.153 -33.213 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.227 -6.321 -32.342 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.604 -7.364 -32.770 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.258 -8.018 -31.807 1.00 0.00 H new ATOM 743 N ASN A 44 -3.020 -11.775 -36.210 1.00 0.00 N ATOM 744 CA ASN A 44 -3.308 -13.138 -36.639 1.00 0.00 C ATOM 745 C ASN A 44 -3.496 -14.059 -35.438 1.00 0.00 C ATOM 746 O ASN A 44 -2.660 -14.099 -34.535 1.00 0.00 O ATOM 747 CB ASN A 44 -2.180 -13.665 -37.528 1.00 0.00 C ATOM 748 CG ASN A 44 -2.406 -15.101 -37.959 1.00 0.00 C ATOM 749 OD1 ASN A 44 -1.511 -15.941 -37.852 1.00 0.00 O ATOM 750 ND2 ASN A 44 -3.605 -15.390 -38.449 1.00 0.00 N ATOM 0 H ASN A 44 -2.050 -11.615 -35.937 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.236 -13.123 -37.211 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.092 -13.033 -38.412 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.234 -13.594 -36.990 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.815 -16.340 -38.755 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.316 -14.662 -38.519 1.00 0.00 H new ATOM 757 N THR A 45 -4.601 -14.799 -35.433 1.00 0.00 N ATOM 758 CA THR A 45 -4.899 -15.719 -34.343 1.00 0.00 C ATOM 759 C THR A 45 -4.812 -17.169 -34.807 1.00 0.00 C ATOM 760 O THR A 45 -5.638 -18.001 -34.434 1.00 0.00 O ATOM 761 CB THR A 45 -6.302 -15.463 -33.759 1.00 0.00 C ATOM 762 OG1 THR A 45 -7.296 -15.659 -34.771 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.407 -14.051 -33.204 1.00 0.00 C ATOM 0 H THR A 45 -5.304 -14.779 -36.172 1.00 0.00 H new ATOM 0 HA THR A 45 -4.153 -15.543 -33.568 1.00 0.00 H new ATOM 0 HB THR A 45 -6.468 -16.169 -32.945 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.185 -15.496 -34.392 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.406 -13.893 -32.797 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.668 -13.914 -32.414 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.222 -13.332 -34.002 1.00 0.00 H new ATOM 771 N ARG A 46 -3.805 -17.464 -35.623 1.00 0.00 N ATOM 772 CA ARG A 46 -3.610 -18.814 -36.139 1.00 0.00 C ATOM 773 C ARG A 46 -2.564 -19.563 -35.320 1.00 0.00 C ATOM 774 O ARG A 46 -2.590 -20.791 -35.234 1.00 0.00 O ATOM 775 CB ARG A 46 -3.185 -18.765 -37.608 1.00 0.00 C ATOM 776 CG ARG A 46 -2.775 -20.117 -38.168 1.00 0.00 C ATOM 777 CD ARG A 46 -2.597 -20.063 -39.678 1.00 0.00 C ATOM 778 NE ARG A 46 -3.830 -19.685 -40.362 1.00 0.00 N ATOM 779 CZ ARG A 46 -3.923 -19.532 -41.678 1.00 0.00 C ATOM 780 NH1 ARG A 46 -2.861 -19.725 -42.448 1.00 0.00 N ATOM 781 NH2 ARG A 46 -5.081 -19.187 -42.227 1.00 0.00 N ATOM 0 H ARG A 46 -3.112 -16.787 -35.941 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.558 -19.347 -36.060 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.008 -18.369 -38.203 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.352 -18.070 -37.714 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.843 -20.438 -37.702 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.531 -20.861 -37.916 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.812 -19.348 -39.925 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.266 -21.037 -40.039 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.666 -19.530 -39.798 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.970 -19.992 -42.030 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.935 -19.607 -43.458 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.901 -19.039 -41.638 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.151 -19.070 -43.238 1.00 0.00 H new ATOM 795 N LYS A 47 -1.644 -18.816 -34.719 1.00 0.00 N ATOM 796 CA LYS A 47 -0.588 -19.408 -33.906 1.00 0.00 C ATOM 797 C LYS A 47 -0.822 -19.130 -32.425 1.00 0.00 C ATOM 798 O LYS A 47 -1.716 -18.366 -32.060 1.00 0.00 O ATOM 799 CB LYS A 47 0.777 -18.861 -34.329 1.00 0.00 C ATOM 800 CG LYS A 47 1.176 -19.248 -35.743 1.00 0.00 C ATOM 801 CD LYS A 47 1.218 -20.756 -35.917 1.00 0.00 C ATOM 802 CE LYS A 47 1.753 -21.144 -37.287 1.00 0.00 C ATOM 803 NZ LYS A 47 3.204 -20.839 -37.423 1.00 0.00 N ATOM 0 H LYS A 47 -1.608 -17.798 -34.780 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.605 -20.487 -34.063 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.764 -17.774 -34.249 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.535 -19.223 -33.635 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.468 -18.819 -36.452 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.154 -18.827 -35.974 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.846 -21.195 -35.142 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.217 -21.166 -35.787 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.589 -22.209 -37.453 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.196 -20.612 -38.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.576 -21.296 -38.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.337 -19.810 -37.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.714 -21.198 -36.590 1.00 0.00 H new ATOM 817 N ALA A 48 -0.013 -19.753 -31.575 1.00 0.00 N ATOM 818 CA ALA A 48 -0.130 -19.570 -30.134 1.00 0.00 C ATOM 819 C ALA A 48 1.243 -19.426 -29.485 1.00 0.00 C ATOM 820 O ALA A 48 2.036 -20.366 -29.440 1.00 0.00 O ATOM 821 CB ALA A 48 -0.889 -20.733 -29.514 1.00 0.00 C ATOM 0 H ALA A 48 0.731 -20.390 -31.860 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.686 -18.650 -29.954 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.969 -20.583 -28.437 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.888 -20.788 -29.948 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.355 -21.663 -29.712 1.00 0.00 H new ATOM 827 N PRO A 49 1.533 -18.221 -28.972 1.00 0.00 N ATOM 828 CA PRO A 49 0.596 -17.094 -29.021 1.00 0.00 C ATOM 829 C PRO A 49 0.411 -16.555 -30.435 1.00 0.00 C ATOM 830 O PRO A 49 1.159 -16.888 -31.355 1.00 0.00 O ATOM 831 CB PRO A 49 1.262 -16.041 -28.131 1.00 0.00 C ATOM 832 CG PRO A 49 2.714 -16.370 -28.176 1.00 0.00 C ATOM 833 CD PRO A 49 2.796 -17.866 -28.305 1.00 0.00 C ATOM 0 HA PRO A 49 -0.403 -17.380 -28.693 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.073 -15.033 -28.501 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.878 -16.084 -27.112 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.200 -15.878 -29.019 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.220 -16.028 -27.273 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.661 -18.172 -28.894 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.886 -18.349 -27.332 1.00 0.00 H new ATOM 841 N PRO A 50 -0.609 -15.703 -30.616 1.00 0.00 N ATOM 842 CA PRO A 50 -0.915 -15.099 -31.916 1.00 0.00 C ATOM 843 C PRO A 50 0.138 -14.084 -32.346 1.00 0.00 C ATOM 844 O PRO A 50 1.008 -13.705 -31.562 1.00 0.00 O ATOM 845 CB PRO A 50 -2.259 -14.407 -31.678 1.00 0.00 C ATOM 846 CG PRO A 50 -2.289 -14.131 -30.214 1.00 0.00 C ATOM 847 CD PRO A 50 -1.541 -15.262 -29.564 1.00 0.00 C ATOM 0 HA PRO A 50 -0.937 -15.840 -32.715 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.338 -13.486 -32.256 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.091 -15.044 -31.978 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.821 -13.173 -29.988 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.314 -14.080 -29.847 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.011 -14.932 -28.670 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.212 -16.065 -29.259 1.00 0.00 H new ATOM 855 N LYS A 51 0.054 -13.646 -33.598 1.00 0.00 N ATOM 856 CA LYS A 51 0.999 -12.673 -34.134 1.00 0.00 C ATOM 857 C LYS A 51 0.397 -11.271 -34.128 1.00 0.00 C ATOM 858 O LYS A 51 -0.809 -11.103 -33.952 1.00 0.00 O ATOM 859 CB LYS A 51 1.408 -13.058 -35.557 1.00 0.00 C ATOM 860 CG LYS A 51 2.205 -14.349 -35.633 1.00 0.00 C ATOM 861 CD LYS A 51 3.670 -14.082 -35.932 1.00 0.00 C ATOM 862 CE LYS A 51 3.862 -13.540 -37.340 1.00 0.00 C ATOM 863 NZ LYS A 51 4.094 -14.630 -38.327 1.00 0.00 N ATOM 0 H LYS A 51 -0.659 -13.950 -34.261 1.00 0.00 H new ATOM 0 HA LYS A 51 1.883 -12.673 -33.497 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.512 -13.158 -36.169 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.000 -12.250 -35.987 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.117 -14.888 -34.690 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.786 -14.992 -36.407 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.066 -13.368 -35.209 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.240 -15.004 -35.815 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.982 -12.967 -37.632 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.708 -12.853 -37.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.220 -14.220 -39.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.948 -15.161 -38.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.276 -15.272 -38.334 1.00 0.00 H new ATOM 877 N PHE A 52 1.246 -10.267 -34.323 1.00 0.00 N ATOM 878 CA PHE A 52 0.798 -8.880 -34.341 1.00 0.00 C ATOM 879 C PHE A 52 1.620 -8.056 -35.328 1.00 0.00 C ATOM 880 O PHE A 52 2.848 -8.139 -35.353 1.00 0.00 O ATOM 881 CB PHE A 52 0.901 -8.270 -32.941 1.00 0.00 C ATOM 882 CG PHE A 52 0.374 -9.167 -31.857 1.00 0.00 C ATOM 883 CD1 PHE A 52 1.195 -10.110 -31.260 1.00 0.00 C ATOM 884 CD2 PHE A 52 -0.941 -9.066 -31.434 1.00 0.00 C ATOM 885 CE1 PHE A 52 0.713 -10.937 -30.263 1.00 0.00 C ATOM 886 CE2 PHE A 52 -1.429 -9.889 -30.437 1.00 0.00 C ATOM 887 CZ PHE A 52 -0.600 -10.825 -29.850 1.00 0.00 C ATOM 0 H PHE A 52 2.248 -10.389 -34.471 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.244 -8.865 -34.661 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.944 -8.034 -32.732 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.352 -7.329 -32.922 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.223 -10.200 -31.577 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.593 -8.335 -31.889 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.362 -11.670 -29.807 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.457 -9.801 -30.117 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.978 -11.468 -29.069 1.00 0.00 H new ATOM 897 N TYR A 53 0.933 -7.261 -36.141 1.00 0.00 N ATOM 898 CA TYR A 53 1.597 -6.423 -37.133 1.00 0.00 C ATOM 899 C TYR A 53 1.883 -5.035 -36.570 1.00 0.00 C ATOM 900 O TYR A 53 0.969 -4.241 -36.347 1.00 0.00 O ATOM 901 CB TYR A 53 0.737 -6.308 -38.392 1.00 0.00 C ATOM 902 CG TYR A 53 1.528 -6.405 -39.677 1.00 0.00 C ATOM 903 CD1 TYR A 53 2.794 -5.842 -39.780 1.00 0.00 C ATOM 904 CD2 TYR A 53 1.009 -7.058 -40.788 1.00 0.00 C ATOM 905 CE1 TYR A 53 3.520 -5.927 -40.952 1.00 0.00 C ATOM 906 CE2 TYR A 53 1.729 -7.150 -41.963 1.00 0.00 C ATOM 907 CZ TYR A 53 2.984 -6.582 -42.041 1.00 0.00 C ATOM 908 OH TYR A 53 3.703 -6.670 -43.210 1.00 0.00 O ATOM 0 H TYR A 53 -0.084 -7.179 -36.133 1.00 0.00 H new ATOM 0 HA TYR A 53 2.546 -6.893 -37.391 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.017 -7.095 -38.379 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.206 -5.356 -38.373 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.218 -5.329 -38.929 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.026 -7.501 -40.732 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.502 -5.483 -41.015 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.312 -7.664 -42.816 1.00 0.00 H new ATOM 0 HH TYR A 53 3.183 -7.164 -43.878 1.00 0.00 H new ATOM 918 N VAL A 54 3.161 -4.748 -36.341 1.00 0.00 N ATOM 919 CA VAL A 54 3.570 -3.455 -35.806 1.00 0.00 C ATOM 920 C VAL A 54 3.958 -2.495 -36.925 1.00 0.00 C ATOM 921 O VAL A 54 4.590 -2.889 -37.906 1.00 0.00 O ATOM 922 CB VAL A 54 4.757 -3.600 -34.835 1.00 0.00 C ATOM 923 CG1 VAL A 54 4.321 -4.305 -33.560 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.902 -4.346 -35.502 1.00 0.00 C ATOM 0 H VAL A 54 3.931 -5.394 -36.518 1.00 0.00 H new ATOM 0 HA VAL A 54 2.714 -3.051 -35.265 1.00 0.00 H new ATOM 0 HB VAL A 54 5.110 -2.604 -34.568 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.173 -4.398 -32.886 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.536 -3.726 -33.074 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.941 -5.297 -33.804 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.732 -4.439 -34.802 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.565 -5.339 -35.800 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.231 -3.795 -36.383 1.00 0.00 H new ATOM 934 N HIS A 55 3.575 -1.231 -36.772 1.00 0.00 N ATOM 935 CA HIS A 55 3.884 -0.212 -37.769 1.00 0.00 C ATOM 936 C HIS A 55 4.437 1.046 -37.108 1.00 0.00 C ATOM 937 O HIS A 55 4.042 1.401 -35.997 1.00 0.00 O ATOM 938 CB HIS A 55 2.634 0.131 -38.581 1.00 0.00 C ATOM 939 CG HIS A 55 2.821 1.298 -39.502 1.00 0.00 C ATOM 940 ND1 HIS A 55 1.963 2.378 -39.532 1.00 0.00 N ATOM 941 CD2 HIS A 55 3.774 1.551 -40.429 1.00 0.00 C ATOM 942 CE1 HIS A 55 2.380 3.243 -40.438 1.00 0.00 C ATOM 943 NE2 HIS A 55 3.478 2.766 -40.996 1.00 0.00 N ATOM 0 H HIS A 55 3.050 -0.888 -35.967 1.00 0.00 H new ATOM 0 HA HIS A 55 4.645 -0.613 -38.438 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.340 -0.740 -39.166 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.814 0.346 -37.896 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.611 0.916 -40.677 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.904 4.181 -40.682 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.018 3.226 -41.729 1.00 0.00 H new ATOM 951 N TYR A 56 5.353 1.717 -37.797 1.00 0.00 N ATOM 952 CA TYR A 56 5.963 2.934 -37.275 1.00 0.00 C ATOM 953 C TYR A 56 5.466 4.161 -38.033 1.00 0.00 C ATOM 954 O TYR A 56 5.639 4.267 -39.248 1.00 0.00 O ATOM 955 CB TYR A 56 7.488 2.846 -37.367 1.00 0.00 C ATOM 956 CG TYR A 56 8.123 2.112 -36.208 1.00 0.00 C ATOM 957 CD1 TYR A 56 7.775 0.799 -35.917 1.00 0.00 C ATOM 958 CD2 TYR A 56 9.071 2.732 -35.404 1.00 0.00 C ATOM 959 CE1 TYR A 56 8.353 0.124 -34.859 1.00 0.00 C ATOM 960 CE2 TYR A 56 9.655 2.065 -34.344 1.00 0.00 C ATOM 961 CZ TYR A 56 9.292 0.761 -34.076 1.00 0.00 C ATOM 962 OH TYR A 56 9.870 0.094 -33.021 1.00 0.00 O ATOM 0 H TYR A 56 5.690 1.439 -38.719 1.00 0.00 H new ATOM 0 HA TYR A 56 5.674 3.035 -36.229 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.759 2.345 -38.296 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.899 3.854 -37.417 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.040 0.297 -36.528 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.357 3.753 -35.611 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.071 -0.897 -34.647 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.391 2.561 -33.729 1.00 0.00 H new ATOM 0 HH TYR A 56 10.511 0.684 -32.572 1.00 0.00 H new ATOM 972 N VAL A 57 4.849 5.087 -37.307 1.00 0.00 N ATOM 973 CA VAL A 57 4.328 6.309 -37.909 1.00 0.00 C ATOM 974 C VAL A 57 5.391 7.401 -37.945 1.00 0.00 C ATOM 975 O VAL A 57 5.426 8.218 -38.864 1.00 0.00 O ATOM 976 CB VAL A 57 3.097 6.831 -37.144 1.00 0.00 C ATOM 977 CG1 VAL A 57 1.980 5.799 -37.162 1.00 0.00 C ATOM 978 CG2 VAL A 57 3.473 7.197 -35.717 1.00 0.00 C ATOM 0 H VAL A 57 4.697 5.015 -36.301 1.00 0.00 H new ATOM 0 HA VAL A 57 4.034 6.059 -38.928 1.00 0.00 H new ATOM 0 HB VAL A 57 2.736 7.731 -37.642 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.119 6.185 -36.617 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.693 5.591 -38.193 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.326 4.880 -36.689 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.592 7.564 -35.191 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.860 6.316 -35.205 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.237 7.974 -35.730 1.00 0.00 H new ATOM 988 N ASN A 58 6.258 7.408 -36.938 1.00 0.00 N ATOM 989 CA ASN A 58 7.324 8.400 -36.854 1.00 0.00 C ATOM 990 C ASN A 58 8.275 8.278 -38.040 1.00 0.00 C ATOM 991 O ASN A 58 8.314 9.149 -38.910 1.00 0.00 O ATOM 992 CB ASN A 58 8.099 8.236 -35.545 1.00 0.00 C ATOM 993 CG ASN A 58 9.278 9.186 -35.449 1.00 0.00 C ATOM 994 OD1 ASN A 58 9.108 10.405 -35.435 1.00 0.00 O ATOM 995 ND2 ASN A 58 10.482 8.629 -35.381 1.00 0.00 N ATOM 0 H ASN A 58 6.244 6.738 -36.169 1.00 0.00 H new ATOM 0 HA ASN A 58 6.868 9.390 -36.877 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.427 8.408 -34.704 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.455 7.209 -35.463 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.313 9.217 -35.314 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.576 7.613 -35.396 1.00 0.00 H new ATOM 1002 N TYR A 59 9.040 7.193 -38.069 1.00 0.00 N ATOM 1003 CA TYR A 59 9.993 6.958 -39.147 1.00 0.00 C ATOM 1004 C TYR A 59 10.300 5.470 -39.288 1.00 0.00 C ATOM 1005 O TYR A 59 9.656 4.630 -38.661 1.00 0.00 O ATOM 1006 CB TYR A 59 11.286 7.734 -38.892 1.00 0.00 C ATOM 1007 CG TYR A 59 11.835 8.417 -40.124 1.00 0.00 C ATOM 1008 CD1 TYR A 59 11.063 9.321 -40.843 1.00 0.00 C ATOM 1009 CD2 TYR A 59 13.126 8.158 -40.569 1.00 0.00 C ATOM 1010 CE1 TYR A 59 11.561 9.947 -41.970 1.00 0.00 C ATOM 1011 CE2 TYR A 59 13.632 8.780 -41.694 1.00 0.00 C ATOM 1012 CZ TYR A 59 12.845 9.674 -42.391 1.00 0.00 C ATOM 1013 OH TYR A 59 13.345 10.295 -43.513 1.00 0.00 O ATOM 0 H TYR A 59 9.019 6.462 -37.358 1.00 0.00 H new ATOM 0 HA TYR A 59 9.544 7.308 -40.077 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.104 8.484 -38.122 1.00 0.00 H new ATOM 0 HB3 TYR A 59 12.039 7.050 -38.500 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.057 9.538 -40.516 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.744 7.458 -40.026 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.947 10.647 -42.518 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.638 8.568 -42.026 1.00 0.00 H new ATOM 0 HH TYR A 59 14.264 9.993 -43.672 1.00 0.00 H new ATOM 1023 N ASN A 60 11.289 5.152 -40.117 1.00 0.00 N ATOM 1024 CA ASN A 60 11.683 3.766 -40.342 1.00 0.00 C ATOM 1025 C ASN A 60 10.457 2.865 -40.460 1.00 0.00 C ATOM 1026 O ASN A 60 10.444 1.746 -39.947 1.00 0.00 O ATOM 1027 CB ASN A 60 12.580 3.278 -39.203 1.00 0.00 C ATOM 1028 CG ASN A 60 11.849 3.216 -37.876 1.00 0.00 C ATOM 1029 OD1 ASN A 60 11.241 2.201 -37.536 1.00 0.00 O ATOM 1030 ND2 ASN A 60 11.906 4.306 -37.119 1.00 0.00 N ATOM 0 H ASN A 60 11.832 5.836 -40.644 1.00 0.00 H new ATOM 0 HA ASN A 60 12.238 3.719 -41.279 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.967 2.289 -39.448 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.439 3.943 -39.111 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.434 4.324 -36.215 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.422 5.125 -37.442 1.00 0.00 H new ATOM 1037 N LYS A 61 9.429 3.360 -41.140 1.00 0.00 N ATOM 1038 CA LYS A 61 8.198 2.601 -41.328 1.00 0.00 C ATOM 1039 C LYS A 61 8.488 1.243 -41.959 1.00 0.00 C ATOM 1040 O LYS A 61 7.732 0.289 -41.775 1.00 0.00 O ATOM 1041 CB LYS A 61 7.220 3.385 -42.206 1.00 0.00 C ATOM 1042 CG LYS A 61 7.732 3.633 -43.615 1.00 0.00 C ATOM 1043 CD LYS A 61 6.675 4.294 -44.483 1.00 0.00 C ATOM 1044 CE LYS A 61 6.824 3.894 -45.943 1.00 0.00 C ATOM 1045 NZ LYS A 61 6.448 2.471 -46.170 1.00 0.00 N ATOM 0 H LYS A 61 9.424 4.285 -41.571 1.00 0.00 H new ATOM 0 HA LYS A 61 7.747 2.439 -40.349 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.278 2.840 -42.262 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.007 4.343 -41.732 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.619 4.265 -43.575 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.035 2.687 -44.065 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.683 4.014 -44.127 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.753 5.377 -44.392 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.199 4.538 -46.561 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.855 4.052 -46.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.234 2.325 -47.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.238 1.854 -45.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.609 2.239 -45.601 1.00 0.00 H new ATOM 1059 N ARG A 62 9.588 1.163 -42.701 1.00 0.00 N ATOM 1060 CA ARG A 62 9.977 -0.079 -43.359 1.00 0.00 C ATOM 1061 C ARG A 62 10.116 -1.210 -42.345 1.00 0.00 C ATOM 1062 O ARG A 62 9.986 -2.386 -42.688 1.00 0.00 O ATOM 1063 CB ARG A 62 11.295 0.110 -44.112 1.00 0.00 C ATOM 1064 CG ARG A 62 12.496 0.298 -43.200 1.00 0.00 C ATOM 1065 CD ARG A 62 13.566 1.155 -43.858 1.00 0.00 C ATOM 1066 NE ARG A 62 14.458 0.364 -44.702 1.00 0.00 N ATOM 1067 CZ ARG A 62 15.272 0.894 -45.609 1.00 0.00 C ATOM 1068 NH1 ARG A 62 15.307 2.207 -45.788 1.00 0.00 N ATOM 1069 NH2 ARG A 62 16.054 0.108 -46.339 1.00 0.00 N ATOM 0 H ARG A 62 10.225 1.943 -42.862 1.00 0.00 H new ATOM 0 HA ARG A 62 9.195 -0.345 -44.070 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.466 -0.757 -44.750 1.00 0.00 H new ATOM 0 HB3 ARG A 62 11.208 0.977 -44.768 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.177 0.764 -42.268 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.915 -0.675 -42.943 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.091 1.930 -44.459 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.149 1.661 -43.089 1.00 0.00 H new ATOM 0 HE ARG A 62 14.456 -0.650 -44.589 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.708 2.814 -45.229 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.933 2.610 -46.485 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.030 -0.903 -46.204 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.679 0.515 -47.035 1.00 0.00 H new ATOM 1083 N LEU A 63 10.380 -0.848 -41.094 1.00 0.00 N ATOM 1084 CA LEU A 63 10.537 -1.833 -40.029 1.00 0.00 C ATOM 1085 C LEU A 63 9.211 -2.522 -39.725 1.00 0.00 C ATOM 1086 O LEU A 63 9.173 -3.538 -39.030 1.00 0.00 O ATOM 1087 CB LEU A 63 11.079 -1.164 -38.765 1.00 0.00 C ATOM 1088 CG LEU A 63 12.599 -1.019 -38.681 1.00 0.00 C ATOM 1089 CD1 LEU A 63 13.259 -2.382 -38.547 1.00 0.00 C ATOM 1090 CD2 LEU A 63 13.133 -0.284 -39.902 1.00 0.00 C ATOM 0 H LEU A 63 10.490 0.120 -40.792 1.00 0.00 H new ATOM 0 HA LEU A 63 11.248 -2.587 -40.367 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.635 -0.172 -38.684 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.740 -1.736 -37.901 1.00 0.00 H new ATOM 0 HG LEU A 63 12.840 -0.433 -37.794 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.340 -2.258 -38.489 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.900 -2.872 -37.642 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.010 -2.994 -39.414 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.216 -0.190 -39.825 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.880 -0.843 -40.803 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.685 0.709 -39.954 1.00 0.00 H new ATOM 1102 N ASP A 64 8.126 -1.964 -40.251 1.00 0.00 N ATOM 1103 CA ASP A 64 6.798 -2.527 -40.039 1.00 0.00 C ATOM 1104 C ASP A 64 6.774 -4.012 -40.389 1.00 0.00 C ATOM 1105 O ASP A 64 6.739 -4.381 -41.562 1.00 0.00 O ATOM 1106 CB ASP A 64 5.762 -1.776 -40.877 1.00 0.00 C ATOM 1107 CG ASP A 64 4.478 -2.562 -41.051 1.00 0.00 C ATOM 1108 OD1 ASP A 64 4.395 -3.358 -42.010 1.00 0.00 O ATOM 1109 OD2 ASP A 64 3.555 -2.381 -40.229 1.00 0.00 O ATOM 0 H ASP A 64 8.140 -1.122 -40.827 1.00 0.00 H new ATOM 0 HA ASP A 64 6.549 -2.417 -38.984 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.538 -0.821 -40.402 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.184 -1.554 -41.857 1.00 0.00 H new ATOM 1114 N GLU A 65 6.795 -4.857 -39.363 1.00 0.00 N ATOM 1115 CA GLU A 65 6.778 -6.301 -39.564 1.00 0.00 C ATOM 1116 C GLU A 65 5.893 -6.985 -38.526 1.00 0.00 C ATOM 1117 O GLU A 65 5.175 -6.323 -37.776 1.00 0.00 O ATOM 1118 CB GLU A 65 8.198 -6.866 -39.490 1.00 0.00 C ATOM 1119 CG GLU A 65 8.763 -6.909 -38.081 1.00 0.00 C ATOM 1120 CD GLU A 65 10.266 -7.111 -38.060 1.00 0.00 C ATOM 1121 OE1 GLU A 65 10.924 -6.776 -39.068 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.784 -7.603 -37.036 1.00 0.00 O ATOM 0 H GLU A 65 6.824 -4.567 -38.386 1.00 0.00 H new ATOM 0 HA GLU A 65 6.367 -6.499 -40.554 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.201 -7.874 -39.904 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.854 -6.262 -40.117 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.518 -5.980 -37.567 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.284 -7.716 -37.526 1.00 0.00 H new ATOM 1129 N TRP A 66 5.950 -8.311 -38.490 1.00 0.00 N ATOM 1130 CA TRP A 66 5.153 -9.084 -37.544 1.00 0.00 C ATOM 1131 C TRP A 66 5.942 -9.366 -36.270 1.00 0.00 C ATOM 1132 O TRP A 66 7.169 -9.470 -36.300 1.00 0.00 O ATOM 1133 CB TRP A 66 4.702 -10.400 -38.181 1.00 0.00 C ATOM 1134 CG TRP A 66 3.897 -10.209 -39.431 1.00 0.00 C ATOM 1135 CD1 TRP A 66 4.350 -9.758 -40.638 1.00 0.00 C ATOM 1136 CD2 TRP A 66 2.497 -10.462 -39.595 1.00 0.00 C ATOM 1137 NE1 TRP A 66 3.316 -9.716 -41.542 1.00 0.00 N ATOM 1138 CE2 TRP A 66 2.169 -10.143 -40.927 1.00 0.00 C ATOM 1139 CE3 TRP A 66 1.489 -10.928 -38.747 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 0.877 -10.275 -41.428 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 0.207 -11.059 -39.245 1.00 0.00 C ATOM 1142 CH2 TRP A 66 -0.090 -10.734 -40.575 1.00 0.00 C ATOM 0 H TRP A 66 6.539 -8.873 -39.104 1.00 0.00 H new ATOM 0 HA TRP A 66 4.274 -8.495 -37.282 1.00 0.00 H new ATOM 0 HB2 TRP A 66 5.580 -11.004 -38.411 1.00 0.00 H new ATOM 0 HB3 TRP A 66 4.110 -10.961 -37.458 1.00 0.00 H new ATOM 0 HD1 TRP A 66 5.371 -9.476 -40.851 1.00 0.00 H new ATOM 0 HE1 TRP A 66 3.391 -9.415 -42.514 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.708 -11.181 -37.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.646 -10.024 -42.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -0.580 -11.418 -38.598 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -1.102 -10.848 -40.934 1.00 0.00 H new ATOM 1153 N ILE A 67 5.232 -9.490 -35.154 1.00 0.00 N ATOM 1154 CA ILE A 67 5.867 -9.762 -33.871 1.00 0.00 C ATOM 1155 C ILE A 67 4.933 -10.538 -32.949 1.00 0.00 C ATOM 1156 O ILE A 67 3.789 -10.826 -33.303 1.00 0.00 O ATOM 1157 CB ILE A 67 6.299 -8.461 -33.170 1.00 0.00 C ATOM 1158 CG1 ILE A 67 5.096 -7.534 -32.981 1.00 0.00 C ATOM 1159 CG2 ILE A 67 7.390 -7.765 -33.970 1.00 0.00 C ATOM 1160 CD1 ILE A 67 5.124 -6.766 -31.678 1.00 0.00 C ATOM 0 H ILE A 67 4.216 -9.406 -35.113 1.00 0.00 H new ATOM 0 HA ILE A 67 6.752 -10.364 -34.078 1.00 0.00 H new ATOM 0 HB ILE A 67 6.699 -8.711 -32.188 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.059 -6.827 -33.810 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.181 -8.125 -33.025 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.685 -6.847 -33.461 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.254 -8.424 -34.058 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.015 -7.524 -34.965 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.242 -6.130 -31.612 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.130 -7.466 -30.843 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.021 -6.148 -31.639 1.00 0.00 H new ATOM 1172 N THR A 68 5.427 -10.872 -31.760 1.00 0.00 N ATOM 1173 CA THR A 68 4.637 -11.614 -30.786 1.00 0.00 C ATOM 1174 C THR A 68 4.177 -10.709 -29.648 1.00 0.00 C ATOM 1175 O THR A 68 4.427 -9.503 -29.659 1.00 0.00 O ATOM 1176 CB THR A 68 5.434 -12.794 -30.197 1.00 0.00 C ATOM 1177 OG1 THR A 68 6.624 -12.313 -29.562 1.00 0.00 O ATOM 1178 CG2 THR A 68 5.801 -13.793 -31.283 1.00 0.00 C ATOM 0 H THR A 68 6.370 -10.640 -31.449 1.00 0.00 H new ATOM 0 HA THR A 68 3.766 -12.001 -31.315 1.00 0.00 H new ATOM 0 HB THR A 68 4.807 -13.296 -29.460 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.124 -13.069 -29.189 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.363 -14.617 -30.844 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.892 -14.179 -31.745 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.411 -13.300 -32.040 1.00 0.00 H new ATOM 1186 N THR A 69 3.502 -11.298 -28.666 1.00 0.00 N ATOM 1187 CA THR A 69 3.006 -10.545 -27.521 1.00 0.00 C ATOM 1188 C THR A 69 4.130 -10.232 -26.540 1.00 0.00 C ATOM 1189 O THR A 69 4.067 -9.249 -25.801 1.00 0.00 O ATOM 1190 CB THR A 69 1.894 -11.313 -26.782 1.00 0.00 C ATOM 1191 OG1 THR A 69 1.283 -10.467 -25.802 1.00 0.00 O ATOM 1192 CG2 THR A 69 2.452 -12.558 -26.108 1.00 0.00 C ATOM 0 H THR A 69 3.286 -12.295 -28.641 1.00 0.00 H new ATOM 0 HA THR A 69 2.596 -9.613 -27.910 1.00 0.00 H new ATOM 0 HB THR A 69 1.146 -11.620 -27.514 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.576 -10.962 -25.338 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.648 -13.084 -25.593 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.891 -13.213 -26.860 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.217 -12.270 -25.388 1.00 0.00 H new ATOM 1200 N ASP A 70 5.158 -11.074 -26.537 1.00 0.00 N ATOM 1201 CA ASP A 70 6.298 -10.886 -25.647 1.00 0.00 C ATOM 1202 C ASP A 70 6.928 -9.512 -25.854 1.00 0.00 C ATOM 1203 O ASP A 70 7.574 -8.973 -24.955 1.00 0.00 O ATOM 1204 CB ASP A 70 7.341 -11.980 -25.881 1.00 0.00 C ATOM 1205 CG ASP A 70 8.284 -12.142 -24.705 1.00 0.00 C ATOM 1206 OD1 ASP A 70 7.796 -12.209 -23.558 1.00 0.00 O ATOM 1207 OD2 ASP A 70 9.510 -12.203 -24.933 1.00 0.00 O ATOM 0 H ASP A 70 5.225 -11.893 -27.141 1.00 0.00 H new ATOM 0 HA ASP A 70 5.940 -10.951 -24.619 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.834 -12.926 -26.070 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.917 -11.743 -26.775 1.00 0.00 H new ATOM 1212 N ARG A 71 6.737 -8.953 -27.044 1.00 0.00 N ATOM 1213 CA ARG A 71 7.289 -7.643 -27.370 1.00 0.00 C ATOM 1214 C ARG A 71 6.242 -6.550 -27.182 1.00 0.00 C ATOM 1215 O ARG A 71 6.571 -5.364 -27.124 1.00 0.00 O ATOM 1216 CB ARG A 71 7.805 -7.627 -28.810 1.00 0.00 C ATOM 1217 CG ARG A 71 8.813 -8.726 -29.107 1.00 0.00 C ATOM 1218 CD ARG A 71 10.202 -8.358 -28.607 1.00 0.00 C ATOM 1219 NE ARG A 71 10.353 -8.612 -27.177 1.00 0.00 N ATOM 1220 CZ ARG A 71 11.521 -8.581 -26.545 1.00 0.00 C ATOM 1221 NH1 ARG A 71 12.633 -8.308 -27.213 1.00 0.00 N ATOM 1222 NH2 ARG A 71 11.578 -8.823 -25.241 1.00 0.00 N ATOM 0 H ARG A 71 6.204 -9.386 -27.798 1.00 0.00 H new ATOM 0 HA ARG A 71 8.119 -7.448 -26.691 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.960 -7.727 -29.491 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.265 -6.659 -29.012 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.490 -9.655 -28.636 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.848 -8.908 -30.181 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.949 -8.930 -29.158 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.393 -7.304 -28.810 1.00 0.00 H new ATOM 0 HE ARG A 71 9.516 -8.825 -26.634 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.593 -8.121 -28.215 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.528 -8.285 -26.725 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.724 -9.033 -24.723 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.475 -8.799 -24.757 1.00 0.00 H new ATOM 1236 N ILE A 72 4.980 -6.956 -27.088 1.00 0.00 N ATOM 1237 CA ILE A 72 3.885 -6.011 -26.906 1.00 0.00 C ATOM 1238 C ILE A 72 3.451 -5.947 -25.446 1.00 0.00 C ATOM 1239 O ILE A 72 3.456 -6.956 -24.742 1.00 0.00 O ATOM 1240 CB ILE A 72 2.670 -6.383 -27.775 1.00 0.00 C ATOM 1241 CG1 ILE A 72 3.065 -6.424 -29.253 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.536 -5.393 -27.552 1.00 0.00 C ATOM 1243 CD1 ILE A 72 1.988 -6.989 -30.151 1.00 0.00 C ATOM 0 H ILE A 72 4.691 -7.933 -27.135 1.00 0.00 H new ATOM 0 HA ILE A 72 4.257 -5.034 -27.215 1.00 0.00 H new ATOM 0 HB ILE A 72 2.324 -7.375 -27.483 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.309 -5.414 -29.583 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.969 -7.023 -29.363 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.684 -5.669 -28.173 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.240 -5.409 -26.503 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.870 -4.391 -27.820 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.337 -6.987 -31.183 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.759 -8.010 -29.847 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.090 -6.377 -30.071 1.00 0.00 H new ATOM 1255 N ASN A 73 3.075 -4.754 -24.997 1.00 0.00 N ATOM 1256 CA ASN A 73 2.636 -4.558 -23.620 1.00 0.00 C ATOM 1257 C ASN A 73 1.262 -3.895 -23.576 1.00 0.00 C ATOM 1258 O ASN A 73 1.154 -2.674 -23.450 1.00 0.00 O ATOM 1259 CB ASN A 73 3.651 -3.707 -22.856 1.00 0.00 C ATOM 1260 CG ASN A 73 3.375 -3.679 -21.365 1.00 0.00 C ATOM 1261 OD1 ASN A 73 3.788 -4.575 -20.629 1.00 0.00 O ATOM 1262 ND2 ASN A 73 2.674 -2.646 -20.912 1.00 0.00 N ATOM 0 H ASN A 73 3.065 -3.908 -25.567 1.00 0.00 H new ATOM 0 HA ASN A 73 2.562 -5.536 -23.145 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.653 -4.098 -23.030 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.634 -2.689 -23.245 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.458 -2.573 -19.918 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.351 -1.926 -21.558 1.00 0.00 H new ATOM 1269 N LEU A 74 0.216 -4.706 -23.681 1.00 0.00 N ATOM 1270 CA LEU A 74 -1.152 -4.198 -23.652 1.00 0.00 C ATOM 1271 C LEU A 74 -1.374 -3.302 -22.438 1.00 0.00 C ATOM 1272 O LEU A 74 -1.090 -3.692 -21.305 1.00 0.00 O ATOM 1273 CB LEU A 74 -2.147 -5.359 -23.632 1.00 0.00 C ATOM 1274 CG LEU A 74 -2.944 -5.582 -24.918 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -2.118 -6.360 -25.930 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -4.247 -6.308 -24.619 1.00 0.00 C ATOM 0 H LEU A 74 0.288 -5.718 -23.787 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.313 -3.605 -24.552 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.602 -6.275 -23.403 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.851 -5.194 -22.816 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.184 -4.609 -25.347 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.702 -6.509 -26.838 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.213 -5.801 -26.168 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.846 -7.329 -25.510 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.801 -6.458 -25.546 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.029 -7.275 -24.166 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.846 -5.712 -23.931 1.00 0.00 H new